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_A 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 0.000 176.123 176.300 -0.296 0.000 0.893 3 R CA 0.000 55.959 56.100 -0.235 0.000 0.921 3 R CB 0.000 30.084 30.300 -0.361 0.000 0.687 4 F N 2.610 122.565 119.950 0.008 0.000 2.385 4 F HA 0.271 4.798 4.527 -0.000 0.000 0.336 4 F C 0.973 176.782 175.800 0.015 0.000 1.100 4 F CA -0.462 57.546 58.000 0.014 0.000 1.116 4 F CB 1.405 40.415 39.000 0.015 0.000 1.166 4 F HN 0.028 nan 8.300 nan 0.000 0.511 5 D N 1.187 121.723 120.400 0.226 0.000 2.178 5 D HA 0.019 4.659 4.640 -0.000 0.000 0.202 5 D C -0.014 176.359 176.300 0.121 0.000 0.974 5 D CA 1.436 55.515 54.000 0.132 0.000 0.841 5 D CB 0.146 41.010 40.800 0.105 0.000 0.953 5 D HN 0.219 nan 8.370 nan 0.000 0.478 6 L N -0.680 120.627 121.223 0.140 0.000 2.612 6 L HA 0.411 4.751 4.340 -0.000 0.000 0.256 6 L C -1.977 174.925 176.870 0.054 0.000 0.949 6 L CA -0.519 54.379 54.840 0.097 0.000 0.867 6 L CB 1.999 44.121 42.059 0.106 0.000 1.417 6 L HN -0.221 nan 8.230 nan 0.000 0.414 7 I N 4.744 125.320 120.570 0.011 0.000 2.478 7 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 7 I C -0.869 175.208 176.117 -0.066 0.000 1.042 7 I CA -0.610 60.647 61.300 -0.071 0.000 1.067 7 I CB 1.909 39.853 38.000 -0.093 0.000 1.233 7 I HN 0.306 nan 8.210 nan 0.000 0.431 8 I N 6.193 126.698 120.570 -0.109 0.000 2.352 8 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 8 I C 0.346 176.382 176.117 -0.135 0.000 1.036 8 I CA -0.197 61.027 61.300 -0.127 0.000 1.336 8 I CB 0.534 38.402 38.000 -0.219 0.000 1.407 8 I HN 0.506 nan 8.210 nan 0.000 0.497 9 R N 3.795 124.236 120.500 -0.098 0.000 2.589 9 R HA 0.449 4.789 4.340 -0.000 0.000 0.293 9 R C 0.557 176.809 176.300 -0.080 0.000 0.963 9 R CA -0.510 55.539 56.100 -0.084 0.000 0.905 9 R CB 1.513 31.779 30.300 -0.057 0.000 1.144 9 R HN 0.697 nan 8.270 nan 0.000 0.459 10 S N -0.435 115.216 115.700 -0.082 0.000 3.261 10 S HA -0.207 4.263 4.470 -0.000 0.000 0.287 10 S C 0.420 174.959 174.600 -0.103 0.000 1.281 10 S CA 1.318 59.472 58.200 -0.076 0.000 1.053 10 S CB -1.325 61.845 63.200 -0.049 0.000 1.251 10 S HN 0.888 nan 8.310 nan 0.000 0.659 11 S N 0.429 116.047 115.700 -0.137 0.000 2.669 11 S HA 0.617 5.087 4.470 -0.000 0.000 0.270 11 S C 0.106 174.546 174.600 -0.268 0.000 1.225 11 S CA -0.346 57.742 58.200 -0.185 0.000 0.991 11 S CB 1.193 64.292 63.200 -0.169 0.000 0.987 11 S HN 0.220 nan 8.310 nan 0.000 0.552 12 T N 2.089 116.402 114.554 -0.402 0.000 2.728 12 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 12 T C -0.175 174.230 174.700 -0.492 0.000 0.940 12 T CA -0.523 61.285 62.100 -0.486 0.000 1.013 12 T CB 0.611 69.035 68.868 -0.741 0.000 0.912 12 T HN 0.529 nan 8.240 nan 0.000 0.484 13 V N 5.051 124.627 119.914 -0.564 0.000 2.637 13 V HA 0.287 4.407 4.120 -0.000 0.000 0.296 13 V C 0.372 176.119 176.094 -0.578 0.000 1.046 13 V CA -0.337 61.570 62.300 -0.655 0.000 1.066 13 V CB 0.765 31.937 31.823 -1.086 0.000 0.968 13 V HN 0.753 nan 8.190 nan 0.000 0.483 14 V N 2.082 121.697 119.914 -0.498 0.000 2.531 14 V HA 0.839 4.959 4.120 -0.000 0.000 0.301 14 V C -0.042 175.891 176.094 -0.269 0.000 1.034 14 V CA -0.264 61.782 62.300 -0.423 0.000 0.865 14 V CB 1.213 32.642 31.823 -0.657 0.000 0.995 14 V HN 0.932 nan 8.190 nan 0.000 0.424 15 T N 0.296 114.777 114.554 -0.121 0.000 2.768 15 T HA 0.465 4.815 4.350 -0.000 0.000 0.268 15 T C 0.984 175.706 174.700 0.036 0.000 0.969 15 T CA 0.183 62.281 62.100 -0.004 0.000 1.008 15 T CB 1.572 70.474 68.868 0.057 0.000 1.371 15 T HN 0.846 nan 8.240 nan 0.000 0.587 16 E N 0.052 120.299 120.200 0.078 0.000 2.204 16 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 16 E C 1.460 178.096 176.600 0.059 0.000 0.989 16 E CA 1.663 58.108 56.400 0.075 0.000 0.824 16 E CB -0.522 29.229 29.700 0.086 0.000 0.756 16 E HN 0.793 nan 8.360 nan 0.000 0.477 17 T N -3.718 110.873 114.554 0.062 0.000 2.966 17 T HA 0.154 4.504 4.350 -0.000 0.000 0.254 17 T C 0.635 175.367 174.700 0.054 0.000 0.961 17 T CA 0.260 62.393 62.100 0.055 0.000 0.915 17 T CB 1.021 69.924 68.868 0.058 0.000 1.186 17 T HN 0.077 nan 8.240 nan 0.000 0.505 18 T N 1.823 116.414 114.554 0.062 0.000 2.812 18 T HA 0.650 5.000 4.350 -0.000 0.000 0.294 18 T C -1.710 173.015 174.700 0.042 0.000 1.159 18 T CA -0.036 62.110 62.100 0.077 0.000 1.008 18 T CB 1.935 70.882 68.868 0.132 0.000 1.289 18 T HN 0.484 nan 8.240 nan 0.000 0.514 19 T N 0.825 115.414 114.554 0.058 0.000 2.912 19 T HA 0.806 5.156 4.350 -0.000 0.000 0.299 19 T C -1.512 173.239 174.700 0.084 0.000 1.052 19 T CA -0.657 61.422 62.100 -0.034 0.000 0.996 19 T CB 1.330 70.169 68.868 -0.049 0.000 1.070 19 T HN 0.852 nan 8.240 nan 0.000 0.465 20 Y N -0.566 119.681 120.300 -0.089 0.000 2.604 20 Y HA 0.690 5.240 4.550 -0.000 0.000 0.331 20 Y C -0.955 174.877 175.900 -0.114 0.000 1.158 20 Y CA -1.519 56.531 58.100 -0.085 0.000 1.056 20 Y CB 1.163 39.583 38.460 -0.068 0.000 1.330 20 Y HN 0.592 nan 8.280 nan 0.000 0.457 21 R N 2.280 122.809 120.500 0.048 0.000 2.216 21 R HA 0.798 5.138 4.340 -0.000 0.000 0.332 21 R C -0.767 175.562 176.300 0.049 0.000 1.056 21 R CA -0.036 56.042 56.100 -0.035 0.000 0.901 21 R CB 0.837 31.116 30.300 -0.035 0.000 1.039 21 R HN 0.959 nan 8.270 nan 0.000 0.456 22 A N 2.836 125.640 122.820 -0.027 0.000 2.610 22 A HA 0.472 4.792 4.320 -0.000 0.000 0.291 22 A C -1.507 176.031 177.584 -0.077 0.000 1.086 22 A CA -0.922 51.124 52.037 0.015 0.000 0.677 22 A CB 1.605 20.718 19.000 0.189 0.000 1.278 22 A HN 0.473 nan 8.150 nan 0.000 0.414 23 D N 0.147 120.505 120.400 -0.071 0.000 2.163 23 D HA 0.550 5.190 4.640 -0.000 0.000 0.248 23 D C -0.761 175.452 176.300 -0.146 0.000 1.035 23 D CA 0.021 53.951 54.000 -0.117 0.000 0.872 23 D CB 1.856 42.595 40.800 -0.102 0.000 1.183 23 D HN 0.228 nan 8.370 nan 0.000 0.445 24 V N 1.310 121.100 119.914 -0.206 0.000 2.448 24 V HA 0.698 4.818 4.120 -0.000 0.000 0.295 24 V C -0.164 175.778 176.094 -0.254 0.000 1.025 24 V CA -0.833 61.326 62.300 -0.234 0.000 0.859 24 V CB 1.527 33.137 31.823 -0.354 0.000 0.988 24 V HN 0.703 nan 8.190 nan 0.000 0.431 25 A N 6.314 128.947 122.820 -0.312 0.000 2.304 25 A HA 0.904 5.224 4.320 -0.000 0.000 0.323 25 A C -0.787 176.637 177.584 -0.266 0.000 1.195 25 A CA -0.435 51.282 52.037 -0.534 0.000 0.826 25 A CB 0.576 18.833 19.000 -1.238 0.000 1.184 25 A HN 0.757 nan 8.150 nan 0.000 0.496 26 I N 1.656 122.164 120.570 -0.104 0.000 2.433 26 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 26 I C 0.247 176.483 176.117 0.197 0.000 1.001 26 I CA -0.243 61.115 61.300 0.096 0.000 1.119 26 I CB 1.904 39.994 38.000 0.149 0.000 1.289 26 I HN 0.718 nan 8.210 nan 0.000 0.438 27 R N 4.624 125.236 120.500 0.186 0.000 2.515 27 R HA 0.371 4.711 4.340 -0.000 0.000 0.291 27 R C -0.692 175.666 176.300 0.097 0.000 1.046 27 R CA -0.642 55.566 56.100 0.180 0.000 0.914 27 R CB 0.984 31.425 30.300 0.234 0.000 1.191 27 R HN 0.770 nan 8.270 nan 0.000 0.435 28 N N 2.411 121.152 118.700 0.069 0.000 2.727 28 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 28 N C 0.527 176.050 175.510 0.021 0.000 1.048 28 N CA 0.951 54.023 53.050 0.037 0.000 0.714 28 N CB -0.632 37.871 38.487 0.027 0.000 0.959 28 N HN 1.075 nan 8.380 nan 0.000 0.544 29 G N -1.137 107.675 108.800 0.020 0.000 2.179 29 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 29 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 29 G C 0.254 175.142 174.900 -0.019 0.000 0.977 29 G CA 0.672 45.765 45.100 -0.012 0.000 0.641 29 G HN 0.839 nan 8.290 nan 0.000 0.533 30 I N -2.571 118.009 120.570 0.016 0.000 3.067 30 I HA 0.856 5.026 4.170 -0.000 0.000 0.312 30 I C 0.245 176.405 176.117 0.072 0.000 1.073 30 I CA -1.760 59.554 61.300 0.025 0.000 1.016 30 I CB 1.996 40.008 38.000 0.020 0.000 1.227 30 I HN -0.106 nan 8.210 nan 0.000 0.456 31 V N 2.621 122.587 119.914 0.087 0.000 2.488 31 V HA 0.159 4.279 4.120 -0.000 0.000 0.277 31 V C 0.874 177.012 176.094 0.073 0.000 1.046 31 V CA 0.315 62.678 62.300 0.106 0.000 0.986 31 V CB 0.769 32.669 31.823 0.129 0.000 0.989 31 V HN 0.947 nan 8.190 nan 0.000 0.475 32 S N 3.017 118.760 115.700 0.071 0.000 2.527 32 S HA 0.545 5.015 4.470 -0.000 0.000 0.227 32 S C 0.462 175.111 174.600 0.082 0.000 1.059 32 S CA 0.557 58.826 58.200 0.115 0.000 0.919 32 S CB 0.339 63.697 63.200 0.262 0.000 0.805 32 S HN 1.004 nan 8.310 nan 0.000 0.500 33 A N 0.694 123.499 122.820 -0.026 0.000 2.549 33 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 33 A C -1.548 175.978 177.584 -0.096 0.000 1.061 33 A CA -0.624 51.382 52.037 -0.050 0.000 0.690 33 A CB 1.050 20.021 19.000 -0.048 0.000 1.287 33 A HN 0.345 nan 8.150 nan 0.000 0.402 34 I N 1.892 122.432 120.570 -0.050 0.000 2.466 34 I HA 0.603 4.773 4.170 -0.000 0.000 0.289 34 I C 0.142 176.240 176.117 -0.033 0.000 1.026 34 I CA -0.388 60.889 61.300 -0.039 0.000 1.078 34 I CB 2.450 40.463 38.000 0.022 0.000 1.249 34 I HN 0.809 nan 8.210 nan 0.000 0.429 35 T N 0.809 115.340 114.554 -0.038 0.000 2.883 35 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 35 T C -0.575 174.115 174.700 -0.016 0.000 1.117 35 T CA -1.057 61.025 62.100 -0.030 0.000 1.006 35 T CB 1.713 70.560 68.868 -0.035 0.000 1.191 35 T HN 0.646 nan 8.240 nan 0.000 0.508 36 E N 0.864 121.055 120.200 -0.015 0.000 2.415 36 E HA 0.296 4.646 4.350 -0.000 0.000 0.262 36 E C -2.482 174.108 176.600 -0.016 0.000 1.038 36 E CA -1.680 54.714 56.400 -0.009 0.000 0.921 36 E CB -0.604 29.088 29.700 -0.012 0.000 0.950 36 E HN 0.283 nan 8.360 nan 0.000 0.438 37 P HA -0.028 nan 4.420 nan 0.000 0.260 37 P C 0.600 177.888 177.300 -0.020 0.000 1.172 37 P CA 1.537 64.622 63.100 -0.026 0.000 0.760 37 P CB 0.406 32.090 31.700 -0.026 0.000 0.773 38 G N 2.579 111.366 108.800 -0.023 0.000 2.148 38 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 38 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 38 G C 1.366 176.263 174.900 -0.005 0.000 0.981 38 G CA 0.471 45.563 45.100 -0.013 0.000 0.670 38 G HN 0.556 nan 8.290 nan 0.000 0.528 39 S N -1.024 114.672 115.700 -0.007 0.000 2.402 39 S HA 0.204 4.674 4.470 -0.000 0.000 0.229 39 S C 1.205 175.817 174.600 0.021 0.000 1.021 39 S CA 0.997 59.200 58.200 0.004 0.000 0.974 39 S CB -0.114 63.086 63.200 0.000 0.000 0.800 39 S HN 0.492 nan 8.310 nan 0.000 0.484 40 I N 1.743 122.325 120.570 0.021 0.000 2.365 40 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 40 I C 0.485 176.629 176.117 0.045 0.000 1.004 40 I CA -0.029 61.304 61.300 0.056 0.000 1.311 40 I CB 1.650 39.692 38.000 0.069 0.000 1.401 40 I HN -0.013 nan 8.210 nan 0.000 0.491 41 S N 2.964 118.696 115.700 0.054 0.000 2.573 41 S HA -0.033 4.437 4.470 -0.000 0.000 0.277 41 S C 1.431 176.057 174.600 0.042 0.000 1.346 41 S CA -0.132 58.091 58.200 0.039 0.000 1.034 41 S CB 0.976 64.197 63.200 0.034 0.000 0.879 41 S HN 0.765 nan 8.310 nan 0.000 0.528 42 S N 1.004 116.719 115.700 0.026 0.000 2.419 42 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 42 S C 0.538 175.155 174.600 0.029 0.000 1.019 42 S CA 1.239 59.452 58.200 0.022 0.000 0.982 42 S CB -0.247 62.961 63.200 0.012 0.000 0.789 42 S HN 0.645 nan 8.310 nan 0.000 0.490 43 D N 1.279 121.697 120.400 0.030 0.000 2.894 43 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 43 D C -0.426 175.897 176.300 0.038 0.000 1.291 43 D CA -0.006 54.011 54.000 0.028 0.000 0.840 43 D CB 0.273 41.082 40.800 0.016 0.000 1.044 43 D HN 0.286 nan 8.370 nan 0.000 0.484 44 D N 0.398 120.839 120.400 0.069 0.000 2.593 44 D HA 0.367 5.007 4.640 -0.000 0.000 0.241 44 D C 0.716 177.107 176.300 0.151 0.000 1.257 44 D CA -0.055 54.005 54.000 0.099 0.000 0.828 44 D CB 1.044 41.943 40.800 0.165 0.000 1.049 44 D HN 0.274 nan 8.370 nan 0.000 0.490 45 G N 1.679 110.539 108.800 0.100 0.000 2.334 45 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.566 45 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.566 45 G C -3.122 171.818 174.900 0.067 0.000 1.413 45 G CA -1.166 43.996 45.100 0.104 0.000 0.993 45 G HN -0.173 nan 8.290 nan 0.000 0.642 46 P HA 0.567 nan 4.420 nan 0.000 0.275 46 P C -0.091 177.216 177.300 0.012 0.000 1.227 46 P CA 0.312 63.423 63.100 0.019 0.000 0.781 46 P CB 1.458 33.162 31.700 0.007 0.000 0.906 47 A N 3.232 126.046 122.820 -0.010 0.000 2.354 47 A HA 0.765 5.085 4.320 -0.000 0.000 0.321 47 A C -0.915 176.639 177.584 -0.050 0.000 1.125 47 A CA -0.612 51.412 52.037 -0.022 0.000 0.799 47 A CB 0.914 19.903 19.000 -0.018 0.000 1.293 47 A HN 0.381 nan 8.150 nan 0.000 0.452 48 I N 1.478 122.011 120.570 -0.061 0.000 2.406 48 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 48 I C -0.771 175.306 176.117 -0.067 0.000 0.999 48 I CA -0.570 60.669 61.300 -0.101 0.000 1.124 48 I CB 1.441 39.346 38.000 -0.159 0.000 1.289 48 I HN 0.664 nan 8.210 nan 0.000 0.441 49 D N 4.782 125.163 120.400 -0.033 0.000 2.374 49 D HA 0.327 4.967 4.640 -0.000 0.000 0.240 49 D C 1.030 177.348 176.300 0.029 0.000 1.229 49 D CA 0.106 54.106 54.000 -0.000 0.000 0.895 49 D CB 0.898 41.709 40.800 0.018 0.000 1.046 49 D HN 0.762 nan 8.370 nan 0.000 0.498 50 G N 2.747 111.549 108.800 0.002 0.000 3.434 50 G HA2 0.010 3.970 3.960 -0.000 0.000 0.258 50 G HA3 0.010 3.970 3.960 -0.000 0.000 0.258 50 G C 0.476 175.376 174.900 -0.001 0.000 1.128 50 G CA -0.345 44.766 45.100 0.018 0.000 0.792 50 G HN 0.424 nan 8.290 nan 0.000 0.539 51 T N 0.839 115.393 114.554 0.000 0.000 2.866 51 T HA 0.365 4.715 4.350 -0.000 0.000 0.293 51 T C 1.625 176.334 174.700 0.015 0.000 1.005 51 T CA 1.194 63.291 62.100 -0.005 0.000 1.162 51 T CB 0.873 69.742 68.868 0.002 0.000 0.968 51 T HN 0.969 nan 8.240 nan 0.000 0.530 52 G N 2.401 111.202 108.800 0.003 0.000 2.205 52 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.261 52 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.261 52 G C 0.056 175.009 174.900 0.088 0.000 0.980 52 G CA 0.071 45.196 45.100 0.041 0.000 0.632 52 G HN 0.668 nan 8.290 nan 0.000 0.533 53 L N -0.734 120.524 121.223 0.058 0.000 2.304 53 L HA 0.820 5.160 4.340 -0.000 0.000 0.268 53 L C 0.125 177.026 176.870 0.052 0.000 1.010 53 L CA -1.389 53.537 54.840 0.144 0.000 0.813 53 L CB 1.423 43.562 42.059 0.134 0.000 1.315 53 L HN 0.089 nan 8.230 nan 0.000 0.445 54 H N 0.500 119.591 119.070 0.036 0.000 2.529 54 H HA 0.468 5.024 4.556 -0.000 0.000 0.348 54 H C -1.063 174.241 175.328 -0.039 0.000 1.079 54 H CA -0.467 55.533 56.048 -0.079 0.000 1.198 54 H CB 2.017 31.692 29.762 -0.145 0.000 1.521 54 H HN 0.233 nan 8.280 nan 0.000 0.514 55 L N 4.420 125.569 121.223 -0.123 0.000 2.259 55 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 55 L C -1.430 175.355 176.870 -0.141 0.000 1.051 55 L CA -0.017 54.777 54.840 -0.078 0.000 0.824 55 L CB -0.491 41.428 42.059 -0.233 0.000 1.206 55 L HN 0.443 nan 8.230 nan 0.000 0.429 56 F N 5.889 125.853 119.950 0.024 0.000 2.425 56 F HA 0.581 5.108 4.527 -0.000 0.000 0.331 56 F C -1.774 174.088 175.800 0.102 0.000 1.085 56 F CA -2.150 55.871 58.000 0.035 0.000 1.028 56 F CB 0.790 39.805 39.000 0.026 0.000 1.177 56 F HN 0.427 nan 8.300 nan 0.000 0.487 57 P HA 0.114 nan 4.420 nan 0.000 0.272 57 P C -0.202 177.220 177.300 0.203 0.000 1.223 57 P CA -0.370 62.884 63.100 0.257 0.000 0.784 57 P CB 0.470 32.283 31.700 0.188 0.000 0.923 58 G N 3.459 112.338 108.800 0.130 0.000 2.305 58 G HA2 0.169 4.129 3.960 -0.000 0.000 0.243 58 G HA3 0.169 4.129 3.960 -0.000 0.000 0.243 58 G C 0.249 175.174 174.900 0.042 0.000 1.288 58 G CA -0.436 44.700 45.100 0.059 0.000 0.901 58 G HN 0.318 nan 8.290 nan 0.000 0.516 59 M N 1.232 120.842 119.600 0.016 0.000 2.248 59 M HA 0.121 4.601 4.480 -0.000 0.000 0.337 59 M C 0.058 176.343 176.300 -0.024 0.000 1.121 59 M CA 0.005 55.301 55.300 -0.008 0.000 1.155 59 M CB 1.021 33.594 32.600 -0.045 0.000 1.514 59 M HN 0.100 nan 8.290 nan 0.000 0.452 60 V N 2.280 122.165 119.914 -0.048 0.000 2.378 60 V HA 0.231 4.351 4.120 -0.000 0.000 0.288 60 V C -0.572 175.420 176.094 -0.170 0.000 1.016 60 V CA -0.802 61.426 62.300 -0.121 0.000 0.840 60 V CB 1.747 33.482 31.823 -0.146 0.000 0.994 60 V HN 0.724 nan 8.190 nan 0.000 0.431 61 D N 3.710 124.007 120.400 -0.171 0.000 2.454 61 D HA 0.267 4.907 4.640 -0.000 0.000 0.225 61 D C 0.739 176.908 176.300 -0.218 0.000 1.081 61 D CA -0.374 53.552 54.000 -0.122 0.000 0.864 61 D CB 1.961 42.748 40.800 -0.022 0.000 1.040 61 D HN 0.383 nan 8.370 nan 0.000 0.517 62 V N 1.924 121.682 119.914 -0.259 0.000 3.573 62 V HA 0.214 4.334 4.120 -0.000 0.000 0.270 62 V C 0.355 176.572 176.094 0.205 0.000 1.221 62 V CA 0.501 62.598 62.300 -0.338 0.000 1.163 62 V CB -1.024 30.568 31.823 -0.384 0.000 0.847 62 V HN 0.599 nan 8.190 nan 0.000 0.468 63 H N 0.462 119.562 119.070 0.050 0.000 2.761 63 H HA 0.652 5.208 4.556 -0.000 0.000 0.263 63 H C -1.101 174.209 175.328 -0.031 0.000 1.292 63 H CA -0.406 55.655 56.048 0.022 0.000 1.540 63 H CB 1.398 31.191 29.762 0.052 0.000 1.569 63 H HN 0.354 nan 8.280 nan 0.000 0.510 64 V N 1.115 121.041 119.914 0.019 0.000 2.876 64 V HA 0.469 4.589 4.120 -0.000 0.000 0.312 64 V C -0.620 175.287 176.094 -0.311 0.000 1.085 64 V CA -0.876 61.353 62.300 -0.117 0.000 0.945 64 V CB 2.150 33.664 31.823 -0.515 0.000 1.017 64 V HN 0.673 nan 8.190 nan 0.000 0.428 65 H N 4.589 123.709 119.070 0.083 0.000 2.638 65 H HA 0.451 5.007 4.556 -0.000 0.000 0.303 65 H C -0.713 174.743 175.328 0.214 0.000 1.034 65 H CA -0.454 55.660 56.048 0.110 0.000 1.225 65 H CB 1.413 31.299 29.762 0.207 0.000 1.394 65 H HN 0.698 nan 8.280 nan 0.000 0.477 66 F N 1.101 121.091 119.950 0.067 0.000 2.776 66 F HA 0.015 4.542 4.527 -0.000 0.000 0.300 66 F C 0.900 176.620 175.800 -0.134 0.000 1.116 66 F CA -0.622 57.307 58.000 -0.119 0.000 1.375 66 F CB -0.511 38.185 39.000 -0.507 0.000 1.109 66 F HN 0.551 nan 8.300 nan 0.000 0.585 67 N N 0.501 119.283 118.700 0.136 0.000 2.714 67 N HA -0.284 4.456 4.740 -0.000 0.000 0.250 67 N C 0.003 175.496 175.510 -0.028 0.000 1.117 67 N CA 0.713 53.801 53.050 0.063 0.000 0.719 67 N CB -1.294 37.262 38.487 0.114 0.000 1.081 67 N HN 0.500 nan 8.380 nan 0.000 0.557 68 E N 0.370 120.549 120.200 -0.036 0.000 2.199 68 E HA 0.389 4.739 4.350 -0.000 0.000 0.265 68 E C -2.585 174.135 176.600 0.201 0.000 0.882 68 E CA -2.290 54.140 56.400 0.051 0.000 0.759 68 E CB 1.971 31.715 29.700 0.073 0.000 1.148 68 E HN -0.072 nan 8.360 nan 0.000 0.412 69 P HA 0.367 nan 4.420 nan 0.000 0.312 69 P C 0.604 177.888 177.300 -0.026 0.000 1.308 69 P CA 0.614 63.748 63.100 0.056 0.000 0.743 69 P CB 0.612 32.343 31.700 0.051 0.000 1.364 70 G N -0.348 108.417 108.800 -0.058 0.000 4.655 70 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 70 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 70 G C 0.386 175.152 174.900 -0.222 0.000 1.403 70 G CA 0.099 45.126 45.100 -0.122 0.000 0.931 70 G HN 0.571 nan 8.290 nan 0.000 0.654 71 R N 0.980 121.284 120.500 -0.328 0.000 2.997 71 R HA 0.423 4.763 4.340 -0.000 0.000 0.358 71 R C 1.357 177.445 176.300 -0.352 0.000 1.191 71 R CA 0.445 56.192 56.100 -0.588 0.000 1.113 71 R CB 0.297 29.842 30.300 -1.258 0.000 1.433 71 R HN 0.354 nan 8.270 nan 0.000 0.584 72 T N 1.712 116.177 114.554 -0.148 0.000 2.720 72 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 72 T C 1.600 176.324 174.700 0.039 0.000 1.037 72 T CA 1.660 63.742 62.100 -0.030 0.000 1.144 72 T CB 0.028 68.898 68.868 0.003 0.000 0.864 72 T HN 0.537 nan 8.240 nan 0.000 0.444 73 E N 0.052 120.283 120.200 0.051 0.000 2.401 73 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 73 E C 1.520 178.367 176.600 0.411 0.000 1.023 73 E CA 0.679 57.181 56.400 0.170 0.000 0.859 73 E CB -0.324 29.465 29.700 0.148 0.000 0.780 73 E HN 0.572 nan 8.360 nan 0.000 0.523 74 W N 1.098 122.435 121.300 0.062 0.000 2.407 74 W HA 0.030 4.690 4.660 -0.000 0.000 0.305 74 W C 2.100 178.695 176.519 0.127 0.000 1.196 74 W CA 0.724 58.093 57.345 0.040 0.000 1.311 74 W CB -0.017 29.376 29.460 -0.112 0.000 1.135 74 W HN 0.132 nan 8.180 nan 0.000 0.514 75 E N -2.825 117.552 120.200 0.295 0.000 3.730 75 E HA 0.314 4.664 4.350 -0.000 0.000 0.233 75 E C 0.406 177.026 176.600 0.032 0.000 1.281 75 E CA 1.428 57.930 56.400 0.171 0.000 1.519 75 E CB 0.342 30.176 29.700 0.223 0.000 2.292 75 E HN -0.083 nan 8.360 nan 0.000 0.655 76 G N 0.948 109.729 108.800 -0.032 0.000 2.675 76 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 76 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 76 G C 0.163 174.896 174.900 -0.279 0.000 1.215 76 G CA -0.127 44.914 45.100 -0.098 0.000 0.777 76 G HN 0.108 nan 8.290 nan 0.000 0.638 77 F N 1.424 121.323 119.950 -0.085 0.000 2.234 77 F HA 0.133 4.660 4.527 -0.000 0.000 0.299 77 F C 2.955 178.616 175.800 -0.231 0.000 1.087 77 F CA 2.626 60.543 58.000 -0.140 0.000 1.340 77 F CB -0.400 38.629 39.000 0.049 0.000 1.031 77 F HN 0.763 nan 8.300 nan 0.000 0.500 78 A N -0.123 122.717 122.820 0.032 0.000 1.840 78 A HA -0.150 4.170 4.320 -0.000 0.000 0.214 78 A C 2.250 179.779 177.584 -0.092 0.000 1.198 78 A CA 1.764 53.797 52.037 -0.007 0.000 0.608 78 A CB -1.258 17.757 19.000 0.026 0.000 0.839 78 A HN 0.325 nan 8.150 nan 0.000 0.443 79 S N -0.521 115.117 115.700 -0.104 0.000 2.603 79 S HA 0.171 4.641 4.470 -0.000 0.000 0.229 79 S C 1.571 176.061 174.600 -0.183 0.000 0.972 79 S CA 0.838 58.992 58.200 -0.078 0.000 0.935 79 S CB -0.340 62.850 63.200 -0.018 0.000 0.769 79 S HN 0.656 nan 8.310 nan 0.000 0.536 80 G N 2.239 110.721 108.800 -0.529 0.000 2.497 80 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.210 80 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.210 80 G C 1.626 176.151 174.900 -0.626 0.000 1.177 80 G CA 0.527 44.989 45.100 -1.064 0.000 0.822 80 G HN 0.684 nan 8.290 nan 0.000 0.550 81 S N 0.405 115.823 115.700 -0.471 0.000 2.423 81 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 81 S C 2.041 176.559 174.600 -0.138 0.000 1.014 81 S CA 1.528 59.627 58.200 -0.169 0.000 0.965 81 S CB -0.121 63.092 63.200 0.022 0.000 0.785 81 S HN 0.344 nan 8.310 nan 0.000 0.495 82 K N 1.288 121.594 120.400 -0.156 0.000 2.057 82 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 82 K C 2.245 178.632 176.600 -0.355 0.000 1.049 82 K CA 1.576 57.740 56.287 -0.205 0.000 0.931 82 K CB -0.275 32.180 32.500 -0.074 0.000 0.714 82 K HN 0.449 nan 8.250 nan 0.000 0.440 83 S N 1.081 116.660 115.700 -0.202 0.000 2.383 83 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 83 S C 1.853 176.324 174.600 -0.214 0.000 1.026 83 S CA 0.866 58.962 58.200 -0.174 0.000 0.981 83 S CB -0.156 63.060 63.200 0.028 0.000 0.818 83 S HN 0.212 nan 8.310 nan 0.000 0.472 84 L N 1.228 122.353 121.223 -0.164 0.000 2.027 84 L HA -0.076 4.263 4.340 -0.000 0.000 0.206 84 L C 2.842 179.598 176.870 -0.190 0.000 1.074 84 L CA 1.191 55.959 54.840 -0.120 0.000 0.745 84 L CB -0.703 41.340 42.059 -0.027 0.000 0.898 84 L HN 0.333 nan 8.230 nan 0.000 0.433 85 A N 0.012 122.686 122.820 -0.242 0.000 1.972 85 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 85 A C 2.355 179.559 177.584 -0.635 0.000 1.169 85 A CA 1.590 53.452 52.037 -0.291 0.000 0.635 85 A CB -0.604 18.275 19.000 -0.202 0.000 0.810 85 A HN 0.398 nan 8.150 nan 0.000 0.446 86 A N -1.091 121.164 122.820 -0.941 0.000 2.235 86 A HA 0.350 4.670 4.320 -0.000 0.000 0.208 86 A C 1.800 179.047 177.584 -0.562 0.000 1.172 86 A CA 1.195 52.466 52.037 -1.278 0.000 0.786 86 A CB -0.566 17.749 19.000 -1.142 0.000 0.804 86 A HN 0.732 nan 8.150 nan 0.000 0.479 87 G N -2.293 106.289 108.800 -0.363 0.000 3.192 87 G HA2 0.402 4.362 3.960 -0.000 0.000 0.239 87 G HA3 0.402 4.362 3.960 -0.000 0.000 0.239 87 G C 0.948 175.740 174.900 -0.181 0.000 1.084 87 G CA 0.386 45.354 45.100 -0.220 0.000 0.784 87 G HN 1.465 nan 8.290 nan 0.000 0.540 88 G N -0.671 108.025 108.800 -0.173 0.000 2.132 88 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.228 88 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.228 88 G C -0.058 174.800 174.900 -0.071 0.000 1.000 88 G CA 0.074 45.114 45.100 -0.100 0.000 0.693 88 G HN 0.788 nan 8.290 nan 0.000 0.515 89 V N 1.164 121.034 119.914 -0.074 0.000 2.370 89 V HA 0.630 4.750 4.120 -0.000 0.000 0.283 89 V C 1.317 177.414 176.094 0.005 0.000 1.023 89 V CA 0.476 62.758 62.300 -0.030 0.000 0.857 89 V CB 1.425 33.235 31.823 -0.021 0.000 0.985 89 V HN 0.676 nan 8.190 nan 0.000 0.443 90 T N -0.307 114.254 114.554 0.013 0.000 3.001 90 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 90 T C 0.551 175.279 174.700 0.048 0.000 1.040 90 T CA 0.045 62.156 62.100 0.018 0.000 0.985 90 T CB 0.299 69.145 68.868 -0.037 0.000 1.011 90 T HN 0.575 nan 8.240 nan 0.000 0.509 91 T N 2.027 116.613 114.554 0.054 0.000 2.933 91 T HA 0.615 4.965 4.350 -0.000 0.000 0.305 91 T C -1.687 173.061 174.700 0.080 0.000 1.092 91 T CA -0.855 61.266 62.100 0.036 0.000 1.008 91 T CB 1.721 70.571 68.868 -0.030 0.000 1.102 91 T HN 0.458 nan 8.240 nan 0.000 0.469 92 Y N 0.179 120.487 120.300 0.013 0.000 2.553 92 Y HA 0.870 5.420 4.550 -0.000 0.000 0.347 92 Y C -2.048 173.941 175.900 0.149 0.000 1.019 92 Y CA -2.004 56.076 58.100 -0.035 0.000 1.032 92 Y CB 1.140 39.602 38.460 0.003 0.000 1.284 92 Y HN 0.387 nan 8.280 nan 0.000 0.466 93 F N 1.662 121.569 119.950 -0.072 0.000 2.426 93 F HA 0.337 4.864 4.527 -0.000 0.000 0.348 93 F C -0.329 175.500 175.800 0.048 0.000 1.124 93 F CA -1.645 56.240 58.000 -0.190 0.000 1.008 93 F CB 1.467 40.278 39.000 -0.316 0.000 1.139 93 F HN 0.634 nan 8.300 nan 0.000 0.452 94 D N 3.225 123.736 120.400 0.185 0.000 2.277 94 D HA 0.248 4.888 4.640 -0.000 0.000 0.249 94 D C -0.055 176.422 176.300 0.295 0.000 1.134 94 D CA -0.287 53.822 54.000 0.181 0.000 0.863 94 D CB 0.819 41.782 40.800 0.271 0.000 1.143 94 D HN 0.202 nan 8.370 nan 0.000 0.458 95 M N 5.158 124.789 119.600 0.052 0.000 2.243 95 M HA 0.151 4.631 4.480 -0.000 0.000 0.341 95 M C -1.486 174.871 176.300 0.094 0.000 1.130 95 M CA -1.699 53.561 55.300 -0.065 0.000 1.162 95 M CB 0.991 33.260 32.600 -0.552 0.000 1.497 95 M HN 0.376 nan 8.290 nan 0.000 0.456 96 P HA 0.014 nan 4.420 nan 0.000 0.224 96 P C 0.316 177.648 177.300 0.054 0.000 1.157 96 P CA 0.719 63.930 63.100 0.186 0.000 0.799 96 P CB -0.078 31.821 31.700 0.331 0.000 0.809 97 L N -3.232 117.827 121.223 -0.273 0.000 2.479 97 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 97 L C 1.055 177.905 176.870 -0.034 0.000 1.205 97 L CA -0.291 54.276 54.840 -0.455 0.000 0.817 97 L CB -0.717 40.622 42.059 -1.200 0.000 1.162 97 L HN -0.109 nan 8.230 nan 0.000 0.486 98 N N -1.871 116.818 118.700 -0.018 0.000 2.624 98 N HA -0.290 4.450 4.740 -0.000 0.000 0.222 98 N C 0.444 175.922 175.510 -0.053 0.000 0.908 98 N CA 1.411 54.495 53.050 0.057 0.000 1.919 98 N CB -0.775 37.854 38.487 0.236 0.000 0.893 98 N HN 0.909 nan 8.380 nan 0.000 0.549 99 S N 1.115 116.825 115.700 0.018 0.000 2.552 99 S HA 0.177 4.647 4.470 -0.000 0.000 0.289 99 S C -0.258 174.335 174.600 -0.012 0.000 1.304 99 S CA 0.040 58.244 58.200 0.006 0.000 1.063 99 S CB 0.686 63.940 63.200 0.090 0.000 0.848 99 S HN 0.339 nan 8.310 nan 0.000 0.499 100 N N 4.159 122.827 118.700 -0.053 0.000 2.399 100 N HA 0.563 5.303 4.740 -0.000 0.000 0.284 100 N C -2.934 172.561 175.510 -0.025 0.000 1.025 100 N CA -1.727 51.293 53.050 -0.050 0.000 0.885 100 N CB 1.670 40.082 38.487 -0.126 0.000 1.339 100 N HN 0.350 nan 8.380 nan 0.000 0.487 101 P HA 0.228 nan 4.420 nan 0.000 0.272 101 P C -2.566 174.772 177.300 0.063 0.000 1.223 101 P CA -0.879 62.238 63.100 0.028 0.000 0.784 101 P CB 0.206 31.918 31.700 0.019 0.000 0.923 102 P HA 0.011 nan 4.420 nan 0.000 0.272 102 P C -0.488 176.913 177.300 0.168 0.000 1.240 102 P CA 0.032 63.248 63.100 0.195 0.000 0.791 102 P CB 0.015 31.959 31.700 0.406 0.000 0.978 103 T N 2.107 116.778 114.554 0.196 0.000 3.121 103 T HA 0.133 4.483 4.350 -0.000 0.000 0.256 103 T C 1.348 176.148 174.700 0.167 0.000 0.942 103 T CA 0.384 62.575 62.100 0.151 0.000 1.158 103 T CB -1.095 67.873 68.868 0.166 0.000 0.963 103 T HN 0.274 nan 8.240 nan 0.000 0.660 104 I N 0.838 121.458 120.570 0.084 0.000 3.194 104 I HA 0.099 4.269 4.170 -0.000 0.000 0.271 104 I C 1.669 177.769 176.117 -0.029 0.000 1.150 104 I CA 0.250 61.581 61.300 0.052 0.000 1.440 104 I CB 0.336 38.331 38.000 -0.007 0.000 1.276 104 I HN 0.435 nan 8.210 nan 0.000 0.457 105 T N -0.692 113.776 114.554 -0.144 0.000 2.937 105 T HA 0.264 4.614 4.350 -0.000 0.000 0.283 105 T C 0.981 175.644 174.700 -0.062 0.000 1.012 105 T CA -0.519 61.446 62.100 -0.224 0.000 0.997 105 T CB 1.913 70.535 68.868 -0.410 0.000 1.136 105 T HN 0.037 nan 8.240 nan 0.000 0.551 106 R N 0.042 120.530 120.500 -0.021 0.000 2.148 106 R HA -0.001 4.339 4.340 -0.000 0.000 0.223 106 R C 1.991 178.263 176.300 -0.046 0.000 1.088 106 R CA 1.412 57.502 56.100 -0.017 0.000 0.985 106 R CB -0.122 30.188 30.300 0.016 0.000 0.880 106 R HN 0.731 nan 8.270 nan 0.000 0.451 107 E N 0.239 120.410 120.200 -0.049 0.000 2.150 107 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 107 E C 1.436 178.003 176.600 -0.055 0.000 0.985 107 E CA 1.297 57.669 56.400 -0.048 0.000 0.814 107 E CB 0.180 29.854 29.700 -0.043 0.000 0.752 107 E HN 0.232 nan 8.360 nan 0.000 0.466 108 E N -0.875 119.289 120.200 -0.060 0.000 2.318 108 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 108 E C 1.626 178.186 176.600 -0.065 0.000 0.998 108 E CA 0.191 56.564 56.400 -0.045 0.000 0.859 108 E CB 0.019 29.703 29.700 -0.027 0.000 0.812 108 E HN 0.249 nan 8.360 nan 0.000 0.492 109 L N 0.570 121.736 121.223 -0.095 0.000 2.023 109 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 109 L C 1.195 177.900 176.870 -0.275 0.000 1.073 109 L CA 1.941 56.670 54.840 -0.186 0.000 0.745 109 L CB -0.314 41.650 42.059 -0.158 0.000 0.900 109 L HN -0.009 nan 8.230 nan 0.000 0.435 110 D N -0.367 119.923 120.400 -0.184 0.000 2.269 110 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 110 D C 2.099 178.313 176.300 -0.143 0.000 0.963 110 D CA 0.891 54.789 54.000 -0.170 0.000 0.864 110 D CB -0.024 40.715 40.800 -0.102 0.000 0.936 110 D HN 0.389 nan 8.370 nan 0.000 0.505 111 K N 0.368 120.703 120.400 -0.109 0.000 2.097 111 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 111 K C 1.991 178.546 176.600 -0.075 0.000 1.049 111 K CA 0.797 57.041 56.287 -0.072 0.000 0.933 111 K CB 0.109 32.586 32.500 -0.039 0.000 0.717 111 K HN 0.010 nan 8.250 nan 0.000 0.442 112 K N 0.861 121.191 120.400 -0.118 0.000 2.243 112 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 112 K C 2.146 178.575 176.600 -0.284 0.000 1.051 112 K CA 0.590 56.833 56.287 -0.073 0.000 0.970 112 K CB 0.176 32.679 32.500 0.005 0.000 0.755 112 K HN -0.109 nan 8.250 nan 0.000 0.465 113 R N 1.223 121.436 120.500 -0.478 0.000 2.070 113 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 113 R C 1.729 177.925 176.300 -0.173 0.000 1.137 113 R CA 1.980 57.838 56.100 -0.404 0.000 0.945 113 R CB -0.181 29.928 30.300 -0.319 0.000 0.845 113 R HN 0.248 nan 8.270 nan 0.000 0.430 114 Q N -0.369 119.343 119.800 -0.146 0.000 2.425 114 Q HA 0.075 4.415 4.340 -0.000 0.000 0.204 114 Q C 1.946 177.873 176.000 -0.122 0.000 0.933 114 Q CA 0.327 56.074 55.803 -0.093 0.000 0.939 114 Q CB 0.251 28.956 28.738 -0.054 0.000 1.044 114 Q HN 0.344 nan 8.270 nan 0.000 0.513 115 L N 0.150 121.273 121.223 -0.166 0.000 2.240 115 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 115 L C 2.102 178.762 176.870 -0.351 0.000 1.106 115 L CA 0.674 55.422 54.840 -0.153 0.000 0.793 115 L CB -0.047 41.994 42.059 -0.031 0.000 0.927 115 L HN 0.178 nan 8.230 nan 0.000 0.446 116 A N -1.041 121.367 122.820 -0.688 0.000 2.123 116 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 116 A C 1.907 179.172 177.584 -0.531 0.000 1.152 116 A CA 0.582 52.027 52.037 -0.985 0.000 0.728 116 A CB -0.361 17.690 19.000 -1.582 0.000 0.814 116 A HN 0.380 nan 8.150 nan 0.000 0.464 117 N N 0.021 118.570 118.700 -0.251 0.000 2.188 117 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 117 N C 1.715 177.227 175.510 0.003 0.000 1.018 117 N CA 1.405 54.456 53.050 0.001 0.000 0.858 117 N CB -0.097 38.414 38.487 0.040 0.000 0.989 117 N HN 0.710 nan 8.380 nan 0.000 0.426 118 E N 0.356 120.533 120.200 -0.038 0.000 2.112 118 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 118 E C 1.026 177.634 176.600 0.013 0.000 0.979 118 E CA 0.969 57.367 56.400 -0.004 0.000 0.814 118 E CB 0.305 30.002 29.700 -0.006 0.000 0.762 118 E HN 0.034 nan 8.360 nan 0.000 0.460 119 K N -0.140 120.258 120.400 -0.003 0.000 2.365 119 K HA 0.138 4.458 4.320 -0.000 0.000 0.195 119 K C 0.352 177.001 176.600 0.081 0.000 1.079 119 K CA 0.005 56.321 56.287 0.048 0.000 0.979 119 K CB 0.860 33.420 32.500 0.100 0.000 0.929 119 K HN -0.141 nan 8.250 nan 0.000 0.523 120 S N 0.932 116.681 115.700 0.082 0.000 2.474 120 S HA 0.112 4.582 4.470 -0.000 0.000 0.276 120 S C 0.922 175.649 174.600 0.212 0.000 1.227 120 S CA -0.431 57.892 58.200 0.205 0.000 1.050 120 S CB 0.336 63.715 63.200 0.298 0.000 0.939 120 S HN 0.187 nan 8.310 nan 0.000 0.490 121 L N 6.984 128.310 121.223 0.171 0.000 2.109 121 L HA 0.158 4.498 4.340 -0.000 0.000 0.207 121 L C 0.790 177.748 176.870 0.147 0.000 1.086 121 L CA 1.482 56.396 54.840 0.125 0.000 0.760 121 L CB -0.171 41.928 42.059 0.066 0.000 0.910 121 L HN 0.720 nan 8.230 nan 0.000 0.437 122 V N -4.186 115.864 119.914 0.227 0.000 3.234 122 V HA 0.467 4.587 4.120 -0.000 0.000 0.317 122 V C -0.118 176.121 176.094 0.243 0.000 1.147 122 V CA -1.258 61.165 62.300 0.205 0.000 1.037 122 V CB 0.998 32.943 31.823 0.203 0.000 1.148 122 V HN -0.067 nan 8.190 nan 0.000 0.455 123 D N 0.139 120.583 120.400 0.074 0.000 2.362 123 D HA 0.421 5.061 4.640 -0.000 0.000 0.242 123 D C -0.917 175.245 176.300 -0.231 0.000 1.132 123 D CA 0.459 54.377 54.000 -0.136 0.000 0.907 123 D CB 0.678 41.368 40.800 -0.183 0.000 1.195 123 D HN 0.736 nan 8.370 nan 0.000 0.429 124 Y N -0.544 119.515 120.300 -0.401 0.000 2.534 124 Y HA 0.719 5.269 4.550 -0.000 0.000 0.345 124 Y C -0.563 174.966 175.900 -0.617 0.000 1.031 124 Y CA -1.183 56.420 58.100 -0.827 0.000 1.022 124 Y CB 1.207 39.108 38.460 -0.932 0.000 1.292 124 Y HN 0.027 nan 8.280 nan 0.000 0.459 125 R N 1.502 121.676 120.500 -0.543 0.000 2.836 125 R HA 0.583 4.923 4.340 -0.000 0.000 0.269 125 R C -2.032 173.797 176.300 -0.784 0.000 1.010 125 R CA -1.333 54.398 56.100 -0.615 0.000 0.930 125 R CB 2.151 31.939 30.300 -0.853 0.000 1.218 125 R HN 0.793 nan 8.270 nan 0.000 0.473 126 F N -0.286 119.453 119.950 -0.351 0.000 2.495 126 F HA 0.415 4.942 4.527 -0.000 0.000 0.327 126 F C -0.201 175.396 175.800 -0.338 0.000 1.103 126 F CA -0.630 57.252 58.000 -0.196 0.000 0.949 126 F CB 1.388 40.349 39.000 -0.065 0.000 1.142 126 F HN 0.282 nan 8.300 nan 0.000 0.457 127 W N 2.047 123.355 121.300 0.013 0.000 2.322 127 W HA 0.528 5.188 4.660 -0.000 0.000 0.307 127 W C 0.675 177.196 176.519 0.003 0.000 1.220 127 W CA -0.396 56.918 57.345 -0.053 0.000 1.210 127 W CB 1.022 30.468 29.460 -0.023 0.000 1.223 127 W HN 0.634 nan 8.180 nan 0.000 0.511 128 G N 1.648 110.501 108.800 0.089 0.000 2.606 128 G HA2 0.486 4.446 3.960 -0.000 0.000 0.252 128 G HA3 0.486 4.446 3.960 -0.000 0.000 0.252 128 G C -0.250 174.886 174.900 0.394 0.000 1.206 128 G CA -0.561 44.593 45.100 0.089 0.000 0.861 128 G HN 0.650 nan 8.290 nan 0.000 0.561 129 G N -1.050 108.012 108.800 0.436 0.000 2.388 129 G HA2 0.529 4.489 3.960 -0.000 0.000 0.330 129 G HA3 0.529 4.489 3.960 -0.000 0.000 0.330 129 G C -1.404 173.724 174.900 0.379 0.000 1.142 129 G CA -0.476 44.909 45.100 0.476 0.000 0.908 129 G HN 0.640 nan 8.290 nan 0.000 0.473 130 L N 3.050 124.442 121.223 0.281 0.000 2.372 130 L HA 0.694 5.034 4.340 -0.000 0.000 0.273 130 L C -0.199 176.622 176.870 -0.082 0.000 0.989 130 L CA -0.871 54.038 54.840 0.115 0.000 0.841 130 L CB 1.500 43.646 42.059 0.145 0.000 1.225 130 L HN 0.530 nan 8.230 nan 0.000 0.414 131 V N 3.484 123.311 119.914 -0.145 0.000 3.102 131 V HA 0.718 4.838 4.120 -0.000 0.000 0.312 131 V C -1.939 174.053 176.094 -0.171 0.000 1.135 131 V CA -1.689 60.465 62.300 -0.244 0.000 1.022 131 V CB 1.276 32.903 31.823 -0.326 0.000 1.056 131 V HN 0.463 nan 8.190 nan 0.000 0.436 132 P HA -0.224 nan 4.420 nan 0.000 0.235 132 P C 0.745 177.975 177.300 -0.116 0.000 1.116 132 P CA 2.823 65.817 63.100 -0.177 0.000 0.991 132 P CB -0.053 31.596 31.700 -0.085 0.000 0.764 133 G N -1.229 107.533 108.800 -0.064 0.000 3.191 133 G HA2 0.361 4.321 3.960 -0.000 0.000 0.309 133 G HA3 0.361 4.321 3.960 -0.000 0.000 0.309 133 G C -0.267 174.632 174.900 -0.000 0.000 1.596 133 G CA -0.225 44.853 45.100 -0.035 0.000 0.955 133 G HN 0.325 nan 8.290 nan 0.000 0.508 134 N N 1.863 120.565 118.700 0.003 0.000 2.286 134 N HA -0.031 4.709 4.740 -0.000 0.000 0.245 134 N C 1.303 176.829 175.510 0.027 0.000 1.363 134 N CA -0.110 52.992 53.050 0.085 0.000 0.822 134 N CB -0.004 38.588 38.487 0.175 0.000 1.345 134 N HN 0.457 nan 8.380 nan 0.000 0.494 135 I N -0.773 119.768 120.570 -0.049 0.000 2.530 135 I HA -0.114 4.056 4.170 -0.000 0.000 0.257 135 I C 0.873 176.926 176.117 -0.107 0.000 1.179 135 I CA 1.198 62.451 61.300 -0.078 0.000 1.440 135 I CB -0.587 37.360 38.000 -0.088 0.000 1.087 135 I HN -0.152 nan 8.210 nan 0.000 0.440 136 D N 0.755 121.036 120.400 -0.198 0.000 2.149 136 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 136 D C 1.516 177.618 176.300 -0.330 0.000 0.990 136 D CA 2.001 55.799 54.000 -0.337 0.000 0.839 136 D CB -0.610 39.843 40.800 -0.578 0.000 0.948 136 D HN 0.642 nan 8.370 nan 0.000 0.460 137 H N -1.002 118.090 119.070 0.037 0.000 2.594 137 H HA 0.333 4.889 4.556 -0.000 0.000 0.279 137 H C 1.507 176.910 175.328 0.124 0.000 1.042 137 H CA -0.218 55.872 56.048 0.070 0.000 1.177 137 H CB 0.399 30.204 29.762 0.072 0.000 1.524 137 H HN 0.042 nan 8.280 nan 0.000 0.537 138 L N 0.126 121.447 121.223 0.163 0.000 2.095 138 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 138 L C 2.504 179.526 176.870 0.253 0.000 1.080 138 L CA 1.129 56.079 54.840 0.184 0.000 0.759 138 L CB -0.190 41.805 42.059 -0.106 0.000 0.914 138 L HN 0.279 nan 8.230 nan 0.000 0.439 139 Q N 0.596 120.480 119.800 0.140 0.000 2.124 139 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 139 Q C 1.674 177.796 176.000 0.203 0.000 0.977 139 Q CA 1.983 57.883 55.803 0.161 0.000 0.850 139 Q CB -0.189 28.595 28.738 0.076 0.000 0.901 139 Q HN 0.321 nan 8.270 nan 0.000 0.429 140 D N -0.347 120.155 120.400 0.170 0.000 2.087 140 D HA -0.157 4.483 4.640 -0.000 0.000 0.192 140 D C 1.765 178.160 176.300 0.158 0.000 0.993 140 D CA 1.455 55.546 54.000 0.150 0.000 0.828 140 D CB -0.248 40.649 40.800 0.161 0.000 0.968 140 D HN 0.367 nan 8.370 nan 0.000 0.448 141 L N -0.272 121.083 121.223 0.220 0.000 2.131 141 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 141 L C 2.531 179.482 176.870 0.134 0.000 1.092 141 L CA 1.084 56.028 54.840 0.174 0.000 0.759 141 L CB -0.501 41.709 42.059 0.252 0.000 0.903 141 L HN 0.336 nan 8.230 nan 0.000 0.435 142 H N 0.098 119.277 119.070 0.182 0.000 2.389 142 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 142 H C 1.303 176.661 175.328 0.050 0.000 1.081 142 H CA 1.605 57.732 56.048 0.131 0.000 1.345 142 H CB 0.344 30.266 29.762 0.266 0.000 1.393 142 H HN 0.331 nan 8.280 nan 0.000 0.520 143 D N -0.178 120.231 120.400 0.015 0.000 2.317 143 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 143 D C 1.985 178.243 176.300 -0.070 0.000 0.966 143 D CA 0.766 54.732 54.000 -0.057 0.000 0.876 143 D CB -0.457 40.363 40.800 0.033 0.000 0.927 143 D HN 0.492 nan 8.370 nan 0.000 0.519 144 G N -0.195 108.579 108.800 -0.044 0.000 2.956 144 G HA2 0.201 4.161 3.960 -0.000 0.000 0.207 144 G HA3 0.201 4.161 3.960 -0.000 0.000 0.207 144 G C 1.201 176.042 174.900 -0.098 0.000 1.162 144 G CA 0.375 45.440 45.100 -0.059 0.000 0.796 144 G HN 0.379 nan 8.290 nan 0.000 0.527 145 G N -0.804 107.902 108.800 -0.156 0.000 2.147 145 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.244 145 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.244 145 G C 0.497 175.275 174.900 -0.203 0.000 1.005 145 G CA 0.372 45.360 45.100 -0.187 0.000 0.713 145 G HN 1.495 nan 8.290 nan 0.000 0.515 146 V N -1.171 118.605 119.914 -0.230 0.000 2.963 146 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 146 V C 1.752 177.606 176.094 -0.401 0.000 1.077 146 V CA 0.432 62.544 62.300 -0.313 0.000 1.124 146 V CB 0.772 32.356 31.823 -0.399 0.000 0.987 146 V HN 0.767 nan 8.190 nan 0.000 0.487 147 I N 0.629 120.836 120.570 -0.605 0.000 3.427 147 I HA 0.729 4.899 4.170 -0.000 0.000 0.288 147 I C 1.007 176.836 176.117 -0.481 0.000 1.249 147 I CA 0.925 61.841 61.300 -0.639 0.000 1.421 147 I CB -0.915 36.375 38.000 -1.183 0.000 1.086 147 I HN 1.086 nan 8.210 nan 0.000 0.448 148 G N -0.319 108.127 108.800 -0.590 0.000 2.342 148 G HA2 0.528 4.488 3.960 -0.000 0.000 0.297 148 G HA3 0.528 4.488 3.960 -0.000 0.000 0.297 148 G C -1.842 173.023 174.900 -0.058 0.000 1.313 148 G CA -0.806 44.187 45.100 -0.179 0.000 0.830 148 G HN -0.049 nan 8.290 nan 0.000 0.506 149 F N 0.182 120.496 119.950 0.607 0.000 2.577 149 F HA 0.748 5.275 4.527 -0.000 0.000 0.318 149 F C 0.376 176.490 175.800 0.523 0.000 1.065 149 F CA -0.819 57.499 58.000 0.530 0.000 0.929 149 F CB 2.806 41.999 39.000 0.321 0.000 1.237 149 F HN 0.190 nan 8.300 nan 0.000 0.468 150 K N 1.507 122.249 120.400 0.569 0.000 2.316 150 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 150 K C -1.473 175.414 176.600 0.478 0.000 0.934 150 K CA -0.692 55.806 56.287 0.352 0.000 0.802 150 K CB 2.235 34.794 32.500 0.097 0.000 1.171 150 K HN 0.800 nan 8.250 nan 0.000 0.426 151 A N 2.812 125.881 122.820 0.415 0.000 2.498 151 A HA 0.732 5.052 4.320 -0.000 0.000 0.298 151 A C -1.690 176.225 177.584 0.553 0.000 1.075 151 A CA -0.643 51.666 52.037 0.454 0.000 0.714 151 A CB 0.796 19.955 19.000 0.264 0.000 1.299 151 A HN 0.524 nan 8.150 nan 0.000 0.407 152 F N 0.549 120.720 119.950 0.368 0.000 2.422 152 F HA 0.562 5.089 4.527 -0.000 0.000 0.333 152 F C 1.136 177.139 175.800 0.339 0.000 1.095 152 F CA -0.539 57.674 58.000 0.356 0.000 1.038 152 F CB 2.162 41.383 39.000 0.368 0.000 1.156 152 F HN 0.569 nan 8.300 nan 0.000 0.483 153 M N 0.642 120.467 119.600 0.375 0.000 2.333 153 M HA 0.158 4.638 4.480 -0.000 0.000 0.257 153 M C -0.030 176.452 176.300 0.304 0.000 1.078 153 M CA 0.441 55.953 55.300 0.353 0.000 1.005 153 M CB 0.412 33.125 32.600 0.188 0.000 1.444 153 M HN 0.328 nan 8.290 nan 0.000 0.496 154 S N 0.354 116.234 115.700 0.300 0.000 2.503 154 S HA 0.280 4.750 4.470 -0.000 0.000 0.301 154 S C -0.288 174.362 174.600 0.083 0.000 1.087 154 S CA -0.696 57.570 58.200 0.109 0.000 1.042 154 S CB 1.380 64.672 63.200 0.153 0.000 1.043 154 S HN 0.173 nan 8.310 nan 0.000 0.489 155 E N 1.668 121.726 120.200 -0.238 0.000 1.800 155 E HA 0.152 4.502 4.350 -0.000 0.000 0.262 155 E C -0.574 176.036 176.600 0.016 0.000 1.219 155 E CA 0.089 56.391 56.400 -0.163 0.000 1.051 155 E CB -0.069 29.476 29.700 -0.260 0.000 1.074 155 E HN 0.383 nan 8.360 nan 0.000 0.433 156 C N 0.637 119.991 119.300 0.090 0.000 3.314 156 C HA 0.763 5.223 4.460 -0.000 0.000 0.344 156 C C 0.777 175.657 174.990 -0.183 0.000 1.461 156 C CA 0.488 59.513 59.018 0.011 0.000 1.249 156 C CB 1.358 29.142 27.740 0.074 0.000 1.632 156 C HN 0.798 nan 8.230 nan 0.000 0.452 157 G N 1.066 109.748 108.800 -0.195 0.000 1.742 157 G HA2 0.161 4.121 3.960 -0.000 0.000 0.185 157 G HA3 0.161 4.121 3.960 -0.000 0.000 0.185 157 G C 0.382 175.365 174.900 0.138 0.000 1.174 157 G CA 1.093 46.070 45.100 -0.204 0.000 1.276 157 G HN 1.613 nan 8.290 nan 0.000 0.424 158 T N -3.390 111.265 114.554 0.168 0.000 3.471 158 T HA 0.461 4.811 4.350 -0.000 0.000 0.165 158 T C 1.058 175.862 174.700 0.173 0.000 0.879 158 T CA 1.482 63.733 62.100 0.252 0.000 0.931 158 T CB 0.731 69.708 68.868 0.181 0.000 1.172 158 T HN 0.483 nan 8.240 nan 0.000 0.290 159 D N 0.357 120.834 120.400 0.128 0.000 2.602 159 D HA 0.244 4.884 4.640 -0.000 0.000 0.284 159 D C 0.387 176.751 176.300 0.107 0.000 1.065 159 D CA 0.334 54.398 54.000 0.107 0.000 0.923 159 D CB 0.671 41.519 40.800 0.080 0.000 1.373 159 D HN 0.246 nan 8.370 nan 0.000 0.492 160 D N -1.285 119.183 120.400 0.113 0.000 2.563 160 D HA 0.085 4.725 4.640 -0.000 0.000 0.256 160 D C -0.813 175.553 176.300 0.110 0.000 1.400 160 D CA -0.336 53.718 54.000 0.091 0.000 0.800 160 D CB 0.005 40.843 40.800 0.064 0.000 1.145 160 D HN 0.045 nan 8.370 nan 0.000 0.501 161 F N 2.591 122.539 119.950 -0.004 0.000 2.661 161 F HA 0.244 4.771 4.527 -0.000 0.000 0.356 161 F C 0.763 176.556 175.800 -0.013 0.000 1.244 161 F CA -0.028 57.955 58.000 -0.029 0.000 1.290 161 F CB -0.260 38.674 39.000 -0.109 0.000 1.677 161 F HN -0.248 nan 8.300 nan 0.000 0.649 162 Q N 3.057 122.839 119.800 -0.029 0.000 2.364 162 Q HA 0.091 4.431 4.340 -0.000 0.000 0.267 162 Q C -0.001 176.042 176.000 0.072 0.000 0.999 162 Q CA -0.505 55.346 55.803 0.080 0.000 0.886 162 Q CB 0.739 29.501 28.738 0.039 0.000 1.243 162 Q HN 0.542 nan 8.270 nan 0.000 0.415 163 F N -0.221 119.783 119.950 0.090 0.000 2.506 163 F HA 0.202 4.729 4.527 -0.000 0.000 0.351 163 F C -0.150 175.716 175.800 0.109 0.000 1.136 163 F CA -0.713 57.390 58.000 0.172 0.000 1.298 163 F CB 0.499 39.635 39.000 0.226 0.000 1.145 163 F HN 0.134 nan 8.300 nan 0.000 0.593 164 S N 2.619 118.317 115.700 -0.004 0.000 2.430 164 S HA 0.240 4.710 4.470 -0.000 0.000 0.289 164 S C -0.390 174.121 174.600 -0.148 0.000 1.143 164 S CA -0.646 57.427 58.200 -0.212 0.000 1.067 164 S CB -0.405 62.749 63.200 -0.078 0.000 0.964 164 S HN 0.830 nan 8.310 nan 0.000 0.485 165 H N 1.104 120.045 119.070 -0.215 0.000 2.581 165 H HA 0.365 4.921 4.556 -0.000 0.000 0.369 165 H C 0.420 175.804 175.328 0.093 0.000 1.351 165 H CA -0.690 55.341 56.048 -0.029 0.000 1.434 165 H CB 0.179 29.883 29.762 -0.097 0.000 1.558 165 H HN 0.305 nan 8.280 nan 0.000 0.608 166 D N -0.487 120.108 120.400 0.325 0.000 2.158 166 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 166 D C 1.730 178.108 176.300 0.130 0.000 0.995 166 D CA 1.439 55.662 54.000 0.371 0.000 0.846 166 D CB -0.084 40.967 40.800 0.418 0.000 0.941 166 D HN 0.657 nan 8.370 nan 0.000 0.456 167 E N -0.055 120.236 120.200 0.152 0.000 2.047 167 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 167 E C 1.920 178.466 176.600 -0.090 0.000 0.987 167 E CA 1.177 57.607 56.400 0.051 0.000 0.799 167 E CB -0.003 29.815 29.700 0.196 0.000 0.752 167 E HN 0.260 nan 8.360 nan 0.000 0.449 168 T N 1.890 116.277 114.554 -0.278 0.000 2.737 168 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 168 T C 2.149 176.763 174.700 -0.142 0.000 1.038 168 T CA 0.885 62.812 62.100 -0.288 0.000 1.144 168 T CB -0.283 68.280 68.868 -0.508 0.000 0.866 168 T HN 0.105 nan 8.240 nan 0.000 0.434 169 L N 0.383 121.565 121.223 -0.068 0.000 2.013 169 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 169 L C 2.521 179.401 176.870 0.016 0.000 1.073 169 L CA 1.386 56.263 54.840 0.061 0.000 0.753 169 L CB -0.591 41.626 42.059 0.264 0.000 0.890 169 L HN 0.248 nan 8.230 nan 0.000 0.432 170 L N -0.920 120.248 121.223 -0.090 0.000 2.109 170 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 170 L C 2.708 179.500 176.870 -0.129 0.000 1.086 170 L CA 1.037 55.761 54.840 -0.194 0.000 0.760 170 L CB -0.418 41.413 42.059 -0.379 0.000 0.910 170 L HN 0.190 nan 8.230 nan 0.000 0.437 171 K N 0.037 120.369 120.400 -0.112 0.000 2.057 171 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 171 K C 2.057 178.598 176.600 -0.099 0.000 1.050 171 K CA 1.301 57.529 56.287 -0.098 0.000 0.935 171 K CB -0.297 32.149 32.500 -0.090 0.000 0.715 171 K HN 0.385 nan 8.250 nan 0.000 0.439 172 G N 1.205 109.947 108.800 -0.097 0.000 2.433 172 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 172 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 172 G C 1.537 176.366 174.900 -0.119 0.000 1.186 172 G CA 0.656 45.687 45.100 -0.115 0.000 0.779 172 G HN 0.164 nan 8.290 nan 0.000 0.543 173 M N 0.103 119.665 119.600 -0.063 0.000 2.149 173 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 173 M C 2.508 178.776 176.300 -0.055 0.000 1.064 173 M CA 1.460 56.739 55.300 -0.034 0.000 1.102 173 M CB -0.223 32.389 32.600 0.019 0.000 1.369 173 M HN 0.210 nan 8.290 nan 0.000 0.408 174 K N 0.652 121.010 120.400 -0.070 0.000 2.032 174 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 174 K C 2.040 178.592 176.600 -0.079 0.000 1.048 174 K CA 1.641 57.887 56.287 -0.069 0.000 0.927 174 K CB -0.001 32.455 32.500 -0.075 0.000 0.712 174 K HN 0.154 nan 8.250 nan 0.000 0.441 175 K N 0.437 120.774 120.400 -0.106 0.000 2.076 175 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 175 K C 2.032 178.538 176.600 -0.157 0.000 1.051 175 K CA 0.984 57.195 56.287 -0.126 0.000 0.949 175 K CB 0.006 32.420 32.500 -0.143 0.000 0.726 175 K HN 0.105 nan 8.250 nan 0.000 0.443 176 I N 1.095 121.547 120.570 -0.196 0.000 2.264 176 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 176 I C 2.388 178.460 176.117 -0.076 0.000 1.111 176 I CA 1.183 62.371 61.300 -0.188 0.000 1.382 176 I CB -0.341 37.551 38.000 -0.181 0.000 1.060 176 I HN 0.240 nan 8.210 nan 0.000 0.418 177 A N 0.758 123.546 122.820 -0.053 0.000 1.908 177 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 177 A C 2.527 180.085 177.584 -0.044 0.000 1.181 177 A CA 1.970 53.990 52.037 -0.029 0.000 0.627 177 A CB -0.838 18.150 19.000 -0.020 0.000 0.818 177 A HN 0.438 nan 8.150 nan 0.000 0.445 178 A N -0.654 122.128 122.820 -0.063 0.000 2.015 178 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 178 A C 2.006 179.537 177.584 -0.088 0.000 1.163 178 A CA 1.219 53.218 52.037 -0.062 0.000 0.646 178 A CB -0.471 18.494 19.000 -0.058 0.000 0.806 178 A HN 0.466 nan 8.150 nan 0.000 0.448 179 L N -1.202 119.932 121.223 -0.149 0.000 2.478 179 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 179 L C 1.685 178.380 176.870 -0.291 0.000 1.140 179 L CA 0.575 55.232 54.840 -0.305 0.000 0.842 179 L CB -0.326 41.461 42.059 -0.455 0.000 0.953 179 L HN 0.572 nan 8.230 nan 0.000 0.452 180 G N 0.217 108.949 108.800 -0.113 0.000 2.176 180 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.252 180 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.252 180 G C 0.490 175.412 174.900 0.036 0.000 1.024 180 G CA 0.508 45.595 45.100 -0.021 0.000 0.755 180 G HN 0.488 nan 8.290 nan 0.000 0.507 181 S N -0.980 114.752 115.700 0.052 0.000 3.617 181 S HA 0.880 5.350 4.470 -0.000 0.000 0.220 181 S C 0.170 174.884 174.600 0.189 0.000 1.040 181 S CA 0.020 58.325 58.200 0.175 0.000 1.454 181 S CB 1.976 65.375 63.200 0.333 0.000 1.045 181 S HN 1.399 nan 8.310 nan 0.000 0.658 182 I N 0.040 120.798 120.570 0.314 0.000 2.787 182 I HA 0.540 4.710 4.170 -0.000 0.000 0.294 182 I C -2.328 174.082 176.117 0.487 0.000 1.365 182 I CA -1.065 60.425 61.300 0.317 0.000 1.029 182 I CB 2.041 40.184 38.000 0.239 0.000 1.313 182 I HN 0.740 nan 8.210 nan 0.000 0.431 183 L N 7.376 128.838 121.223 0.398 0.000 2.305 183 L HA 0.857 5.197 4.340 -0.000 0.000 0.284 183 L C -0.513 176.591 176.870 0.390 0.000 1.013 183 L CA 0.055 55.148 54.840 0.422 0.000 0.819 183 L CB 1.424 43.647 42.059 0.273 0.000 1.227 183 L HN 0.644 nan 8.230 nan 0.000 0.417 184 A N 4.926 127.983 122.820 0.395 0.000 2.306 184 A HA 0.772 5.091 4.320 -0.000 0.000 0.314 184 A C -0.769 176.864 177.584 0.083 0.000 1.164 184 A CA -0.202 51.959 52.037 0.206 0.000 0.822 184 A CB 1.099 20.067 19.000 -0.053 0.000 1.130 184 A HN 1.058 nan 8.150 nan 0.000 0.496 185 V N 0.032 119.950 119.914 0.005 0.000 2.789 185 V HA 0.527 4.647 4.120 -0.000 0.000 0.311 185 V C -0.381 175.643 176.094 -0.116 0.000 1.073 185 V CA -0.734 61.563 62.300 -0.005 0.000 0.921 185 V CB 1.292 33.127 31.823 0.020 0.000 1.009 185 V HN 0.984 nan 8.190 nan 0.000 0.426 186 H N 3.583 122.492 119.070 -0.268 0.000 3.004 186 H HA 0.671 5.227 4.556 -0.000 0.000 0.267 186 H C 0.491 175.701 175.328 -0.196 0.000 1.165 186 H CA 0.357 56.189 56.048 -0.360 0.000 1.450 186 H CB 0.957 30.070 29.762 -1.082 0.000 1.488 186 H HN 1.145 nan 8.280 nan 0.000 0.478 187 A N 5.824 128.477 122.820 -0.278 0.000 3.015 187 A HA 0.227 4.547 4.320 -0.000 0.000 0.293 187 A C -0.250 177.235 177.584 -0.165 0.000 1.572 187 A CA -0.500 51.438 52.037 -0.165 0.000 1.274 187 A CB -0.237 18.667 19.000 -0.159 0.000 1.156 187 A HN 0.860 nan 8.150 nan 0.000 0.562 188 E N 0.294 120.464 120.200 -0.050 0.000 2.288 188 E HA 0.368 4.718 4.350 -0.000 0.000 0.268 188 E C -0.802 175.812 176.600 0.024 0.000 0.885 188 E CA -0.674 55.718 56.400 -0.013 0.000 0.767 188 E CB 1.968 31.693 29.700 0.041 0.000 1.220 188 E HN 0.334 nan 8.360 nan 0.000 0.427 189 S N 1.551 117.245 115.700 -0.010 0.000 2.422 189 S HA 0.047 4.517 4.470 -0.000 0.000 0.283 189 S C 0.824 175.412 174.600 -0.019 0.000 1.163 189 S CA -0.105 58.089 58.200 -0.010 0.000 1.054 189 S CB 0.011 63.196 63.200 -0.026 0.000 0.967 189 S HN 0.601 nan 8.310 nan 0.000 0.499 190 N N 3.933 122.618 118.700 -0.026 0.000 2.036 190 N HA -0.148 4.592 4.740 -0.000 0.000 0.195 190 N C 1.506 176.957 175.510 -0.099 0.000 1.037 190 N CA 1.914 54.894 53.050 -0.117 0.000 0.855 190 N CB 0.074 38.417 38.487 -0.240 0.000 1.033 190 N HN 0.627 nan 8.380 nan 0.000 0.423 191 E N -0.190 119.979 120.200 -0.051 0.000 2.230 191 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 191 E C 1.980 178.557 176.600 -0.038 0.000 0.987 191 E CA 0.496 56.873 56.400 -0.039 0.000 0.841 191 E CB -0.143 29.552 29.700 -0.008 0.000 0.783 191 E HN 0.584 nan 8.360 nan 0.000 0.481 192 M N 0.400 119.979 119.600 -0.034 0.000 2.117 192 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 192 M C 2.374 178.646 176.300 -0.046 0.000 1.065 192 M CA 1.074 56.352 55.300 -0.037 0.000 1.114 192 M CB -0.231 32.349 32.600 -0.035 0.000 1.361 192 M HN -0.058 nan 8.290 nan 0.000 0.408 193 V N 1.844 121.729 119.914 -0.049 0.000 2.223 193 V HA -0.292 3.828 4.120 -0.000 0.000 0.244 193 V C 1.723 177.782 176.094 -0.059 0.000 1.045 193 V CA 2.319 64.590 62.300 -0.050 0.000 1.000 193 V CB -0.916 30.884 31.823 -0.038 0.000 0.635 193 V HN 0.640 nan 8.190 nan 0.000 0.445 194 N N 0.145 118.805 118.700 -0.067 0.000 2.370 194 N HA 0.142 4.882 4.740 -0.000 0.000 0.198 194 N C 1.239 176.704 175.510 -0.075 0.000 1.156 194 N CA 0.767 53.773 53.050 -0.074 0.000 0.839 194 N CB 0.463 38.907 38.487 -0.072 0.000 0.989 194 N HN 0.445 nan 8.380 nan 0.000 0.468 195 A N 1.006 123.786 122.820 -0.067 0.000 1.973 195 A HA 0.227 4.547 4.320 -0.000 0.000 0.210 195 A C 2.122 179.662 177.584 -0.074 0.000 1.200 195 A CA -0.064 51.936 52.037 -0.062 0.000 0.707 195 A CB -0.214 18.759 19.000 -0.045 0.000 0.862 195 A HN 0.172 nan 8.150 nan 0.000 0.461 196 L N -0.234 120.945 121.223 -0.073 0.000 2.217 196 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 196 L C 2.494 179.290 176.870 -0.124 0.000 1.107 196 L CA 1.393 56.187 54.840 -0.076 0.000 0.783 196 L CB -0.485 41.541 42.059 -0.055 0.000 0.919 196 L HN 0.314 nan 8.230 nan 0.000 0.442 197 T N -1.221 113.234 114.554 -0.164 0.000 2.770 197 T HA -0.138 4.212 4.350 -0.000 0.000 0.263 197 T C 1.923 176.395 174.700 -0.381 0.000 1.039 197 T CA 1.801 63.701 62.100 -0.334 0.000 1.142 197 T CB -0.191 68.527 68.868 -0.250 0.000 0.868 197 T HN 0.312 nan 8.240 nan 0.000 0.435 198 T N 2.411 116.832 114.554 -0.223 0.000 2.684 198 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 198 T C 1.987 176.596 174.700 -0.152 0.000 1.036 198 T CA 1.027 63.024 62.100 -0.171 0.000 1.148 198 T CB -0.466 68.338 68.868 -0.106 0.000 0.863 198 T HN 0.299 nan 8.240 nan 0.000 0.436 199 I N 1.348 121.843 120.570 -0.125 0.000 2.179 199 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 199 I C 2.869 178.930 176.117 -0.094 0.000 1.088 199 I CA 1.228 62.475 61.300 -0.089 0.000 1.357 199 I CB -0.411 37.551 38.000 -0.064 0.000 1.051 199 I HN 0.202 nan 8.210 nan 0.000 0.409 200 A N 0.401 123.141 122.820 -0.134 0.000 2.066 200 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 200 A C 2.249 179.768 177.584 -0.109 0.000 1.157 200 A CA 1.128 53.108 52.037 -0.095 0.000 0.670 200 A CB -0.630 18.338 19.000 -0.053 0.000 0.804 200 A HN 0.381 nan 8.150 nan 0.000 0.453 201 I N -0.842 119.593 120.570 -0.226 0.000 2.233 201 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 201 I C 2.387 178.468 176.117 -0.060 0.000 1.093 201 I CA 1.374 62.581 61.300 -0.155 0.000 1.380 201 I CB -0.201 37.668 38.000 -0.218 0.000 1.067 201 I HN 0.232 nan 8.210 nan 0.000 0.413 202 E N 0.746 120.907 120.200 -0.065 0.000 2.150 202 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 202 E C 1.391 177.979 176.600 -0.020 0.000 0.985 202 E CA 0.891 57.269 56.400 -0.036 0.000 0.814 202 E CB 0.005 29.682 29.700 -0.039 0.000 0.752 202 E HN 0.416 nan 8.360 nan 0.000 0.466 203 E N 0.402 120.591 120.200 -0.019 0.000 2.403 203 E HA 0.004 4.354 4.350 -0.000 0.000 0.188 203 E C -0.152 176.454 176.600 0.009 0.000 1.056 203 E CA -0.068 56.328 56.400 -0.005 0.000 0.892 203 E CB 0.327 30.023 29.700 -0.008 0.000 1.049 203 E HN 0.137 nan 8.360 nan 0.000 0.465 204 Q N -0.354 119.456 119.800 0.017 0.000 2.439 204 Q HA -0.244 4.096 4.340 -0.000 0.000 0.247 204 Q C -0.328 175.701 176.000 0.047 0.000 0.899 204 Q CA 0.957 56.780 55.803 0.032 0.000 1.201 204 Q CB -1.572 27.178 28.738 0.020 0.000 1.608 204 Q HN 0.408 nan 8.270 nan 0.000 0.563 205 R N 0.780 121.317 120.500 0.061 0.000 2.419 205 R HA 0.276 4.616 4.340 -0.000 0.000 0.305 205 R C 1.201 177.583 176.300 0.138 0.000 1.242 205 R CA -0.042 56.102 56.100 0.073 0.000 1.105 205 R CB 0.208 30.545 30.300 0.062 0.000 1.116 205 R HN 0.174 nan 8.270 nan 0.000 0.523 206 L N 1.240 122.512 121.223 0.082 0.000 2.906 206 L HA 0.115 4.455 4.340 -0.000 0.000 0.255 206 L C 0.963 177.783 176.870 -0.083 0.000 1.166 206 L CA -0.218 54.657 54.840 0.058 0.000 0.977 206 L CB 0.505 42.600 42.059 0.059 0.000 1.313 206 L HN 0.509 nan 8.230 nan 0.000 0.549 207 T N -2.229 112.280 114.554 -0.076 0.000 2.766 207 T HA 0.141 4.491 4.350 -0.000 0.000 0.295 207 T C 1.543 176.092 174.700 -0.251 0.000 1.024 207 T CA -0.038 61.977 62.100 -0.142 0.000 1.018 207 T CB 1.603 70.417 68.868 -0.091 0.000 1.002 207 T HN 0.008 nan 8.240 nan 0.000 0.532 208 V N -0.586 119.109 119.914 -0.365 0.000 2.667 208 V HA 0.019 4.139 4.120 -0.000 0.000 0.252 208 V C 2.480 178.342 176.094 -0.387 0.000 1.065 208 V CA 1.538 63.455 62.300 -0.637 0.000 1.083 208 V CB -1.181 29.943 31.823 -1.164 0.000 0.692 208 V HN 0.964 nan 8.190 nan 0.000 0.468 209 K N 0.361 120.639 120.400 -0.203 0.000 2.097 209 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 209 K C 1.774 178.344 176.600 -0.049 0.000 1.050 209 K CA 1.817 58.052 56.287 -0.086 0.000 0.938 209 K CB -0.235 32.237 32.500 -0.047 0.000 0.718 209 K HN 0.557 nan 8.250 nan 0.000 0.442 210 D N -0.349 120.028 120.400 -0.039 0.000 2.183 210 D HA -0.161 4.479 4.640 -0.000 0.000 0.203 210 D C 1.667 178.049 176.300 0.137 0.000 0.969 210 D CA 0.815 54.846 54.000 0.052 0.000 0.842 210 D CB -0.204 40.651 40.800 0.092 0.000 0.957 210 D HN 0.285 nan 8.370 nan 0.000 0.484 211 Y N 1.426 121.632 120.300 -0.156 0.000 2.263 211 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 211 Y C 2.483 178.361 175.900 -0.036 0.000 1.130 211 Y CA 1.303 59.283 58.100 -0.200 0.000 1.179 211 Y CB -0.290 37.807 38.460 -0.605 0.000 0.998 211 Y HN -0.169 nan 8.280 nan 0.000 0.532 212 S N -0.024 115.587 115.700 -0.149 0.000 2.368 212 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 212 S C 1.795 176.321 174.600 -0.123 0.000 1.030 212 S CA 1.765 59.883 58.200 -0.135 0.000 0.999 212 S CB -0.331 62.876 63.200 0.013 0.000 0.844 212 S HN 0.689 nan 8.310 nan 0.000 0.459 213 E N 0.279 120.441 120.200 -0.064 0.000 2.358 213 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 213 E C 2.086 178.660 176.600 -0.042 0.000 1.010 213 E CA 0.582 56.957 56.400 -0.041 0.000 0.856 213 E CB -0.126 29.567 29.700 -0.013 0.000 0.795 213 E HN 0.599 nan 8.360 nan 0.000 0.504 214 A N 1.191 123.991 122.820 -0.034 0.000 1.968 214 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 214 A C 1.353 178.888 177.584 -0.081 0.000 1.169 214 A CA 0.714 52.745 52.037 -0.011 0.000 0.638 214 A CB 0.110 19.211 19.000 0.169 0.000 0.812 214 A HN -0.000 nan 8.150 nan 0.000 0.446 215 R N 0.202 120.598 120.500 -0.173 0.000 2.724 215 R HA 0.257 4.597 4.340 -0.000 0.000 0.284 215 R C -2.844 173.376 176.300 -0.133 0.000 1.481 215 R CA -1.760 54.246 56.100 -0.156 0.000 1.652 215 R CB 1.060 31.232 30.300 -0.213 0.000 1.175 215 R HN 0.349 nan 8.270 nan 0.000 0.613 216 P HA 0.172 nan 4.420 nan 0.000 0.279 216 P C 0.891 178.144 177.300 -0.077 0.000 1.282 216 P CA -0.385 62.669 63.100 -0.077 0.000 0.788 216 P CB 1.008 32.674 31.700 -0.056 0.000 1.139 217 I N -0.326 120.204 120.570 -0.068 0.000 2.394 217 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 217 I C 2.261 178.336 176.117 -0.070 0.000 1.136 217 I CA 1.115 62.371 61.300 -0.075 0.000 1.425 217 I CB -0.500 37.462 38.000 -0.063 0.000 1.079 217 I HN 0.026 nan 8.210 nan 0.000 0.425 218 V N 0.206 120.086 119.914 -0.056 0.000 2.594 218 V HA -0.272 3.848 4.120 -0.000 0.000 0.253 218 V C 2.625 178.686 176.094 -0.054 0.000 1.069 218 V CA 2.098 64.368 62.300 -0.050 0.000 1.082 218 V CB -0.569 31.231 31.823 -0.039 0.000 0.680 218 V HN 0.530 nan 8.190 nan 0.000 0.469 219 S N -0.354 115.311 115.700 -0.059 0.000 2.383 219 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 219 S C 1.930 176.488 174.600 -0.071 0.000 1.026 219 S CA 1.693 59.858 58.200 -0.059 0.000 0.981 219 S CB -0.205 62.960 63.200 -0.058 0.000 0.818 219 S HN 0.710 nan 8.310 nan 0.000 0.472 220 E N 0.541 120.688 120.200 -0.088 0.000 2.047 220 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 220 E C 2.168 178.709 176.600 -0.098 0.000 0.987 220 E CA 1.320 57.655 56.400 -0.109 0.000 0.799 220 E CB -0.296 29.324 29.700 -0.132 0.000 0.752 220 E HN 0.502 nan 8.360 nan 0.000 0.449 221 L N 1.196 122.368 121.223 -0.084 0.000 2.042 221 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 221 L C 2.768 179.596 176.870 -0.071 0.000 1.076 221 L CA 1.073 55.869 54.840 -0.074 0.000 0.749 221 L CB -0.354 41.668 42.059 -0.061 0.000 0.893 221 L HN 0.140 nan 8.230 nan 0.000 0.432 222 E N 0.543 120.704 120.200 -0.065 0.000 2.051 222 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 222 E C 2.127 178.678 176.600 -0.082 0.000 0.991 222 E CA 1.676 58.038 56.400 -0.063 0.000 0.799 222 E CB 0.025 29.695 29.700 -0.049 0.000 0.748 222 E HN 0.437 nan 8.360 nan 0.000 0.449 223 A N 0.691 123.462 122.820 -0.082 0.000 1.873 223 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 223 A C 2.646 180.160 177.584 -0.117 0.000 1.186 223 A CA 1.570 53.552 52.037 -0.092 0.000 0.616 223 A CB -0.829 18.130 19.000 -0.068 0.000 0.823 223 A HN 0.184 nan 8.150 nan 0.000 0.442 224 V N 0.192 120.041 119.914 -0.107 0.000 2.255 224 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 224 V C 2.467 178.499 176.094 -0.102 0.000 1.051 224 V CA 2.486 64.723 62.300 -0.105 0.000 1.018 224 V CB -0.913 30.850 31.823 -0.100 0.000 0.641 224 V HN 0.651 nan 8.190 nan 0.000 0.445 225 E N -0.388 119.755 120.200 -0.095 0.000 2.070 225 E HA -0.308 4.042 4.350 -0.000 0.000 0.197 225 E C 2.404 178.927 176.600 -0.129 0.000 1.004 225 E CA 1.785 58.133 56.400 -0.087 0.000 0.805 225 E CB -0.233 29.426 29.700 -0.068 0.000 0.744 225 E HN 0.468 nan 8.360 nan 0.000 0.451 226 R N 0.618 121.000 120.500 -0.197 0.000 2.080 226 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 226 R C 2.342 178.308 176.300 -0.556 0.000 1.137 226 R CA 1.460 57.325 56.100 -0.391 0.000 0.943 226 R CB -0.366 29.677 30.300 -0.429 0.000 0.846 226 R HN 0.133 nan 8.270 nan 0.000 0.431 227 I N 0.754 121.105 120.570 -0.364 0.000 2.361 227 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 227 I C 1.787 177.872 176.117 -0.053 0.000 1.133 227 I CA 1.262 62.436 61.300 -0.210 0.000 1.413 227 I CB 0.012 37.954 38.000 -0.097 0.000 1.073 227 I HN 0.263 nan 8.210 nan 0.000 0.424 228 L N -0.319 120.869 121.223 -0.058 0.000 2.093 228 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 228 L C 2.572 179.468 176.870 0.043 0.000 1.085 228 L CA 0.868 55.706 54.840 -0.003 0.000 0.755 228 L CB -0.675 41.371 42.059 -0.021 0.000 0.904 228 L HN 0.146 nan 8.230 nan 0.000 0.435 229 R N -0.350 120.179 120.500 0.048 0.000 2.090 229 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 229 R C 2.240 178.711 176.300 0.284 0.000 1.110 229 R CA 1.235 57.417 56.100 0.136 0.000 0.973 229 R CB -0.804 29.578 30.300 0.138 0.000 0.869 229 R HN 0.362 nan 8.270 nan 0.000 0.440 230 F N 0.998 120.955 119.950 0.012 0.000 2.171 230 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 230 F C 2.588 178.395 175.800 0.011 0.000 1.090 230 F CA 0.406 58.414 58.000 0.013 0.000 1.293 230 F CB -0.217 38.794 39.000 0.018 0.000 1.013 230 F HN 0.091 nan 8.300 nan 0.000 0.486 231 A N 0.102 123.049 122.820 0.212 0.000 1.877 231 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 231 A C 2.027 179.661 177.584 0.083 0.000 1.186 231 A CA 1.694 53.801 52.037 0.118 0.000 0.620 231 A CB -0.873 18.179 19.000 0.086 0.000 0.822 231 A HN 0.399 nan 8.150 nan 0.000 0.443 232 Q N -0.857 118.993 119.800 0.083 0.000 2.084 232 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 232 Q C 2.162 178.188 176.000 0.045 0.000 0.978 232 Q CA 1.276 57.112 55.803 0.056 0.000 0.844 232 Q CB -0.246 28.525 28.738 0.055 0.000 0.898 232 Q HN 0.664 nan 8.270 nan 0.000 0.426 233 L N 0.465 121.720 121.223 0.053 0.000 2.027 233 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 233 L C 2.193 179.062 176.870 -0.002 0.000 1.074 233 L CA 2.059 56.909 54.840 0.016 0.000 0.745 233 L CB -0.516 41.539 42.059 -0.008 0.000 0.898 233 L HN 0.419 nan 8.230 nan 0.000 0.433 234 T N -5.804 108.753 114.554 0.004 0.000 3.060 234 T HA -0.024 4.326 4.350 -0.000 0.000 0.249 234 T C 1.205 175.906 174.700 0.001 0.000 1.079 234 T CA 0.398 62.492 62.100 -0.010 0.000 1.013 234 T CB -0.614 68.243 68.868 -0.017 0.000 0.975 234 T HN 0.433 nan 8.240 nan 0.000 0.518 235 C N 0.860 120.169 119.300 0.016 0.000 4.358 235 C HA -0.173 4.287 4.460 -0.000 0.000 0.287 235 C C 1.078 176.081 174.990 0.022 0.000 1.414 235 C CA -0.165 58.863 59.018 0.017 0.000 1.949 235 C CB -3.143 24.602 27.740 0.007 0.000 1.274 235 C HN 0.901 nan 8.230 nan 0.000 0.793 236 C N 2.142 121.462 119.300 0.033 0.000 2.415 236 C HA 0.511 4.971 4.460 -0.000 0.000 0.369 236 C C -1.609 173.418 174.990 0.062 0.000 1.279 236 C CA -1.397 57.647 59.018 0.044 0.000 1.886 236 C CB -0.082 27.687 27.740 0.048 0.000 2.468 236 C HN 0.515 nan 8.230 nan 0.000 0.553 237 P HA 0.284 nan 4.420 nan 0.000 0.268 237 P C -0.499 176.870 177.300 0.114 0.000 1.205 237 P CA 0.329 63.471 63.100 0.070 0.000 0.771 237 P CB 0.341 32.073 31.700 0.054 0.000 0.858 238 I N 1.869 122.507 120.570 0.114 0.000 2.769 238 I HA 0.568 4.738 4.170 -0.000 0.000 0.298 238 I C -1.697 174.535 176.117 0.192 0.000 1.128 238 I CA -1.029 60.361 61.300 0.150 0.000 1.031 238 I CB 2.335 40.395 38.000 0.101 0.000 1.235 238 I HN 0.315 nan 8.210 nan 0.000 0.423 239 H N 7.223 126.367 119.070 0.123 0.000 2.744 239 H HA 0.518 5.074 4.556 -0.000 0.000 0.339 239 H C -1.451 173.913 175.328 0.060 0.000 1.004 239 H CA -0.663 55.459 56.048 0.123 0.000 1.257 239 H CB 1.315 31.246 29.762 0.282 0.000 1.552 239 H HN 0.453 nan 8.280 nan 0.000 0.522 240 I N 5.529 125.825 120.570 -0.458 0.000 2.312 240 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 240 I C 0.551 176.304 176.117 -0.608 0.000 1.031 240 I CA -0.415 60.641 61.300 -0.406 0.000 1.293 240 I CB -0.182 37.667 38.000 -0.250 0.000 1.403 240 I HN 0.593 nan 8.210 nan 0.000 0.484 241 C N 5.651 124.644 119.300 -0.512 0.000 2.656 241 C HA 0.090 4.550 4.460 -0.000 0.000 0.391 241 C C 0.540 175.179 174.990 -0.586 0.000 1.300 241 C CA -0.130 58.540 59.018 -0.581 0.000 2.302 241 C CB -0.722 26.576 27.740 -0.738 0.000 2.655 241 C HN 0.962 nan 8.230 nan 0.000 0.656 242 H N -0.813 118.211 119.070 -0.076 0.000 1.615 242 H HA -0.036 4.520 4.556 -0.000 0.000 0.306 242 H C -0.682 174.475 175.328 -0.284 0.000 0.738 242 H CA 0.055 56.050 56.048 -0.087 0.000 1.038 242 H CB -1.445 28.374 29.762 0.094 0.000 1.431 242 H HN 0.305 nan 8.280 nan 0.000 0.228 243 V N 3.081 122.865 119.914 -0.216 0.000 2.427 243 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 243 V C 1.331 177.116 176.094 -0.516 0.000 1.034 243 V CA 0.333 62.446 62.300 -0.311 0.000 0.893 243 V CB 1.709 33.398 31.823 -0.222 0.000 0.982 243 V HN 0.997 nan 8.190 nan 0.000 0.452 244 S N 2.880 118.235 115.700 -0.575 0.000 2.503 244 S HA 0.137 4.606 4.470 -0.000 0.000 0.217 244 S C 0.744 175.164 174.600 -0.301 0.000 0.999 244 S CA 0.435 58.229 58.200 -0.676 0.000 0.914 244 S CB 0.304 63.148 63.200 -0.594 0.000 0.782 244 S HN 0.681 nan 8.310 nan 0.000 0.520 245 S N -0.085 115.483 115.700 -0.219 0.000 2.569 245 S HA 0.512 4.982 4.470 -0.000 0.000 0.280 245 S C 0.280 174.815 174.600 -0.109 0.000 1.111 245 S CA -0.873 57.251 58.200 -0.127 0.000 0.887 245 S CB 1.741 64.884 63.200 -0.095 0.000 1.095 245 S HN 0.307 nan 8.310 nan 0.000 0.476 246 R N 1.671 122.127 120.500 -0.073 0.000 2.237 246 R HA 0.038 4.378 4.340 -0.000 0.000 0.219 246 R C 1.387 177.656 176.300 -0.051 0.000 1.080 246 R CA 1.128 57.193 56.100 -0.058 0.000 0.995 246 R CB -0.153 30.129 30.300 -0.030 0.000 0.875 246 R HN 0.642 nan 8.270 nan 0.000 0.462 247 K N -0.403 119.967 120.400 -0.051 0.000 2.097 247 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 247 K C 1.887 178.453 176.600 -0.057 0.000 1.049 247 K CA 1.348 57.608 56.287 -0.046 0.000 0.933 247 K CB 0.106 32.581 32.500 -0.043 0.000 0.717 247 K HN 0.031 nan 8.250 nan 0.000 0.442 248 V N 1.723 121.591 119.914 -0.077 0.000 2.379 248 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 248 V C 2.172 178.216 176.094 -0.083 0.000 1.044 248 V CA 1.333 63.580 62.300 -0.089 0.000 1.036 248 V CB -0.478 31.273 31.823 -0.119 0.000 0.664 248 V HN 0.235 nan 8.190 nan 0.000 0.453 249 L N -0.311 120.863 121.223 -0.083 0.000 2.046 249 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 249 L C 2.598 179.438 176.870 -0.050 0.000 1.077 249 L CA 1.762 56.560 54.840 -0.070 0.000 0.747 249 L CB -0.662 41.355 42.059 -0.070 0.000 0.896 249 L HN 0.268 nan 8.230 nan 0.000 0.432 250 K N -0.341 120.033 120.400 -0.044 0.000 2.097 250 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 250 K C 2.280 178.862 176.600 -0.031 0.000 1.049 250 K CA 1.092 57.360 56.287 -0.031 0.000 0.933 250 K CB -0.077 32.407 32.500 -0.026 0.000 0.717 250 K HN -0.002 nan 8.250 nan 0.000 0.442 251 R N 1.370 121.847 120.500 -0.039 0.000 2.092 251 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 251 R C 1.767 178.045 176.300 -0.036 0.000 1.119 251 R CA 1.309 57.386 56.100 -0.037 0.000 0.970 251 R CB -0.361 29.912 30.300 -0.046 0.000 0.864 251 R HN 0.178 nan 8.270 nan 0.000 0.440 252 I N 0.254 120.799 120.570 -0.042 0.000 2.353 252 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 252 I C 2.390 178.491 176.117 -0.027 0.000 1.119 252 I CA 1.131 62.408 61.300 -0.038 0.000 1.417 252 I CB -0.326 37.645 38.000 -0.050 0.000 1.078 252 I HN 0.181 nan 8.210 nan 0.000 0.421 253 K N 1.012 121.397 120.400 -0.026 0.000 2.063 253 K HA -0.285 4.035 4.320 -0.000 0.000 0.208 253 K C 2.213 178.804 176.600 -0.013 0.000 1.048 253 K CA 1.712 57.989 56.287 -0.018 0.000 0.928 253 K CB -0.120 32.370 32.500 -0.017 0.000 0.713 253 K HN 0.333 nan 8.250 nan 0.000 0.442 254 Q N -0.139 119.652 119.800 -0.015 0.000 2.084 254 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 254 Q C 1.888 177.883 176.000 -0.009 0.000 0.978 254 Q CA 1.550 57.346 55.803 -0.011 0.000 0.844 254 Q CB -0.147 28.583 28.738 -0.013 0.000 0.898 254 Q HN 0.441 nan 8.270 nan 0.000 0.426 255 A N 0.902 123.715 122.820 -0.012 0.000 1.930 255 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 255 A C 1.947 179.529 177.584 -0.004 0.000 1.175 255 A CA 1.441 53.474 52.037 -0.007 0.000 0.627 255 A CB -0.309 18.685 19.000 -0.011 0.000 0.815 255 A HN 0.308 nan 8.150 nan 0.000 0.443 256 K N -0.738 119.658 120.400 -0.007 0.000 2.063 256 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 256 K C 2.086 178.685 176.600 -0.002 0.000 1.048 256 K CA 1.162 57.446 56.287 -0.004 0.000 0.928 256 K CB -0.463 32.033 32.500 -0.007 0.000 0.713 256 K HN 0.477 nan 8.250 nan 0.000 0.442 257 G N 1.240 110.038 108.800 -0.003 0.000 2.432 257 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 257 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 257 G C 0.917 175.817 174.900 0.000 0.000 1.135 257 G CA 0.640 45.739 45.100 -0.002 0.000 0.767 257 G HN 0.366 nan 8.290 nan 0.000 0.550 258 E N -0.261 119.940 120.200 0.001 0.000 2.476 258 E HA 0.323 4.673 4.350 -0.000 0.000 0.191 258 E C 1.673 178.276 176.600 0.005 0.000 1.064 258 E CA 0.196 56.598 56.400 0.003 0.000 0.866 258 E CB 0.127 29.830 29.700 0.004 0.000 0.952 258 E HN 0.412 nan 8.360 nan 0.000 0.492 259 G N 0.670 109.473 108.800 0.004 0.000 2.195 259 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.224 259 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.224 259 G C 0.461 175.365 174.900 0.008 0.000 0.990 259 G CA -0.001 45.103 45.100 0.006 0.000 0.639 259 G HN 0.160 nan 8.290 nan 0.000 0.514 260 V N 1.733 121.653 119.914 0.010 0.000 2.599 260 V HA 0.219 4.339 4.120 -0.000 0.000 0.300 260 V C 1.021 177.122 176.094 0.013 0.000 1.034 260 V CA -0.013 62.296 62.300 0.014 0.000 1.115 260 V CB 1.258 33.090 31.823 0.015 0.000 0.934 260 V HN 0.381 nan 8.190 nan 0.000 0.485 261 N N 4.749 123.460 118.700 0.018 0.000 2.819 261 N HA 0.139 4.879 4.740 -0.000 0.000 0.284 261 N C -0.679 174.846 175.510 0.025 0.000 1.196 261 N CA 0.026 53.086 53.050 0.016 0.000 1.114 261 N CB 0.007 38.505 38.487 0.018 0.000 1.437 261 N HN 0.546 nan 8.380 nan 0.000 0.518 262 V N 0.499 120.424 119.914 0.019 0.000 2.628 262 V HA 0.624 4.744 4.120 -0.000 0.000 0.306 262 V C 0.341 176.456 176.094 0.034 0.000 1.045 262 V CA -1.090 61.226 62.300 0.027 0.000 0.905 262 V CB 1.489 33.316 31.823 0.006 0.000 0.997 262 V HN 0.477 nan 8.190 nan 0.000 0.436 263 S N 2.288 118.037 115.700 0.081 0.000 2.607 263 S HA 0.890 5.360 4.470 -0.000 0.000 0.303 263 S C -0.745 173.900 174.600 0.075 0.000 1.086 263 S CA -0.814 57.462 58.200 0.126 0.000 0.995 263 S CB 2.107 65.439 63.200 0.220 0.000 1.084 263 S HN 1.189 nan 8.310 nan 0.000 0.507 264 V N 1.412 121.350 119.914 0.041 0.000 2.841 264 V HA 0.696 4.816 4.120 -0.000 0.000 0.310 264 V C -1.220 174.871 176.094 -0.005 0.000 1.090 264 V CA -0.655 61.593 62.300 -0.087 0.000 0.930 264 V CB 1.794 33.560 31.823 -0.096 0.000 1.014 264 V HN 1.189 nan 8.190 nan 0.000 0.425 265 E N 3.331 123.490 120.200 -0.068 0.000 2.281 265 E HA 0.755 5.105 4.350 -0.000 0.000 0.262 265 E C -1.071 175.496 176.600 -0.055 0.000 0.933 265 E CA -0.694 55.719 56.400 0.022 0.000 0.809 265 E CB 2.478 32.274 29.700 0.160 0.000 1.242 265 E HN 0.585 nan 8.360 nan 0.000 0.418 266 T N -0.483 114.045 114.554 -0.043 0.000 2.864 266 T HA 0.535 4.885 4.350 -0.000 0.000 0.289 266 T C -1.256 173.434 174.700 -0.017 0.000 1.082 266 T CA -0.425 61.650 62.100 -0.043 0.000 1.009 266 T CB 1.235 70.033 68.868 -0.116 0.000 1.234 266 T HN 0.689 nan 8.240 nan 0.000 0.526 267 C N 2.176 121.482 119.300 0.009 0.000 2.667 267 C HA 0.521 4.981 4.460 -0.000 0.000 0.323 267 C C -1.376 173.399 174.990 -0.359 0.000 1.214 267 C CA -1.217 57.677 59.018 -0.207 0.000 1.721 267 C CB 1.711 29.218 27.740 -0.389 0.000 2.275 267 C HN 0.697 nan 8.230 nan 0.000 0.491 268 P HA -0.177 nan 4.420 nan 0.000 0.216 268 P C 1.381 178.592 177.300 -0.149 0.000 1.150 268 P CA 1.561 64.565 63.100 -0.161 0.000 0.837 268 P CB -0.219 31.436 31.700 -0.075 0.000 0.786 269 H N -2.492 116.556 119.070 -0.037 0.000 2.421 269 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 269 H C 1.512 176.721 175.328 -0.197 0.000 1.087 269 H CA 1.197 57.148 56.048 -0.160 0.000 1.330 269 H CB -1.452 28.207 29.762 -0.171 0.000 1.388 269 H HN 0.198 nan 8.280 nan 0.000 0.526 270 Y N 1.145 121.368 120.300 -0.128 0.000 2.352 270 Y HA 0.000 4.550 4.550 -0.000 0.000 0.292 270 Y C 2.759 178.609 175.900 -0.084 0.000 1.136 270 Y CA 0.495 58.553 58.100 -0.071 0.000 1.227 270 Y CB -0.256 38.120 38.460 -0.140 0.000 0.991 270 Y HN 0.103 nan 8.280 nan 0.000 0.545 271 L N -1.291 119.918 121.223 -0.025 0.000 2.446 271 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 271 L C 2.003 179.005 176.870 0.220 0.000 1.116 271 L CA 0.516 55.326 54.840 -0.050 0.000 0.844 271 L CB 0.032 41.902 42.059 -0.315 0.000 0.970 271 L HN 0.287 nan 8.230 nan 0.000 0.457 272 L N -1.751 119.482 121.223 0.018 0.000 2.433 272 L HA 0.225 4.565 4.340 -0.000 0.000 0.200 272 L C 0.125 176.957 176.870 -0.064 0.000 1.059 272 L CA 0.178 54.958 54.840 -0.100 0.000 0.835 272 L CB 0.526 42.312 42.059 -0.455 0.000 1.076 272 L HN -0.032 nan 8.230 nan 0.000 0.481 273 F N 0.374 120.400 119.950 0.127 0.000 2.408 273 F HA 0.236 4.763 4.527 -0.000 0.000 0.344 273 F C 0.907 176.751 175.800 0.074 0.000 1.112 273 F CA -0.893 57.141 58.000 0.056 0.000 1.096 273 F CB 1.564 40.527 39.000 -0.063 0.000 1.129 273 F HN 0.010 nan 8.300 nan 0.000 0.486 274 S N 2.652 118.527 115.700 0.293 0.000 2.667 274 S HA 0.374 4.844 4.470 -0.000 0.000 0.292 274 S C 0.500 175.243 174.600 0.239 0.000 1.108 274 S CA -0.646 57.690 58.200 0.226 0.000 0.992 274 S CB 0.852 64.161 63.200 0.181 0.000 1.269 274 S HN 0.536 nan 8.310 nan 0.000 0.528 275 L N 1.238 122.593 121.223 0.220 0.000 2.240 275 L HA 0.129 4.469 4.340 -0.000 0.000 0.211 275 L C 1.684 178.660 176.870 0.177 0.000 1.106 275 L CA 1.607 56.590 54.840 0.238 0.000 0.793 275 L CB -1.170 40.981 42.059 0.154 0.000 0.927 275 L HN 0.656 nan 8.230 nan 0.000 0.446 276 D N -0.499 119.983 120.400 0.137 0.000 2.123 276 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 276 D C 1.863 178.225 176.300 0.104 0.000 0.976 276 D CA 1.018 55.077 54.000 0.099 0.000 0.831 276 D CB 0.093 40.943 40.800 0.083 0.000 0.974 276 D HN 0.312 nan 8.370 nan 0.000 0.469 277 E N -0.167 120.111 120.200 0.130 0.000 2.358 277 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 277 E C 1.520 178.143 176.600 0.039 0.000 1.010 277 E CA -0.049 56.403 56.400 0.087 0.000 0.856 277 E CB -0.174 29.630 29.700 0.174 0.000 0.795 277 E HN 0.124 nan 8.360 nan 0.000 0.504 278 F N 1.304 121.222 119.950 -0.053 0.000 2.051 278 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 278 F C 2.159 177.899 175.800 -0.101 0.000 1.122 278 F CA 1.356 59.298 58.000 -0.096 0.000 1.201 278 F CB -0.857 38.121 39.000 -0.036 0.000 0.978 278 F HN 0.052 nan 8.300 nan 0.000 0.472 279 A N -0.698 122.225 122.820 0.171 0.000 1.969 279 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 279 A C 2.237 179.843 177.584 0.036 0.000 1.169 279 A CA 1.551 53.613 52.037 0.041 0.000 0.635 279 A CB -0.827 18.165 19.000 -0.014 0.000 0.810 279 A HN 0.527 nan 8.150 nan 0.000 0.445 280 E N -0.298 119.920 120.200 0.030 0.000 2.047 280 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 280 E C 1.834 178.416 176.600 -0.031 0.000 0.987 280 E CA 1.192 57.591 56.400 -0.001 0.000 0.799 280 E CB -0.153 29.548 29.700 0.002 0.000 0.752 280 E HN 0.687 nan 8.360 nan 0.000 0.449 281 I N -0.440 120.087 120.570 -0.071 0.000 2.286 281 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 281 I C 1.752 177.842 176.117 -0.046 0.000 1.104 281 I CA 0.945 62.170 61.300 -0.125 0.000 1.397 281 I CB -0.178 37.633 38.000 -0.314 0.000 1.072 281 I HN 0.400 nan 8.210 nan 0.000 0.417 282 G N -0.178 108.647 108.800 0.042 0.000 3.035 282 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.242 282 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.242 282 G C 0.649 175.703 174.900 0.256 0.000 1.524 282 G CA 0.292 45.478 45.100 0.145 0.000 1.038 282 G HN 0.218 nan 8.290 nan 0.000 0.561 283 Y N 0.748 121.012 120.300 -0.060 0.000 2.436 283 Y HA 0.388 4.938 4.550 -0.000 0.000 0.288 283 Y C 2.828 178.661 175.900 -0.112 0.000 1.112 283 Y CA 0.672 58.726 58.100 -0.076 0.000 1.220 283 Y CB 0.097 38.493 38.460 -0.107 0.000 1.073 283 Y HN 0.241 nan 8.280 nan 0.000 0.552 284 L N -0.451 120.776 121.223 0.007 0.000 2.622 284 L HA -0.065 4.275 4.340 -0.000 0.000 0.233 284 L C 1.922 178.630 176.870 -0.269 0.000 1.156 284 L CA 0.510 55.277 54.840 -0.122 0.000 0.866 284 L CB -0.194 41.792 42.059 -0.122 0.000 0.980 284 L HN 0.148 nan 8.230 nan 0.000 0.448 285 A N -0.682 121.942 122.820 -0.328 0.000 2.345 285 A HA 0.034 4.354 4.320 -0.000 0.000 0.225 285 A C 0.921 178.054 177.584 -0.751 0.000 1.243 285 A CA -0.212 51.449 52.037 -0.628 0.000 0.875 285 A CB -0.180 18.326 19.000 -0.824 0.000 0.929 285 A HN 0.178 nan 8.150 nan 0.000 0.502 286 K N 1.123 121.309 120.400 -0.357 0.000 2.339 286 K HA 0.354 4.674 4.320 -0.000 0.000 0.286 286 K C -0.475 175.959 176.600 -0.276 0.000 1.050 286 K CA 0.040 56.195 56.287 -0.220 0.000 0.956 286 K CB 0.030 32.352 32.500 -0.298 0.000 0.990 286 K HN 0.596 nan 8.250 nan 0.000 0.475 287 C N 0.796 120.009 119.300 -0.146 0.000 3.323 287 C HA 0.887 5.347 4.460 -0.000 0.000 0.324 287 C C -0.897 174.109 174.990 0.027 0.000 1.428 287 C CA -1.247 57.670 59.018 -0.169 0.000 1.368 287 C CB 0.847 28.386 27.740 -0.335 0.000 1.731 287 C HN 0.798 nan 8.230 nan 0.000 0.455 288 A N 1.510 124.307 122.820 -0.038 0.000 2.340 288 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 288 A C -2.932 174.577 177.584 -0.125 0.000 1.195 288 A CA -1.169 50.885 52.037 0.029 0.000 0.769 288 A CB 0.202 19.261 19.000 0.099 0.000 1.163 288 A HN 0.728 nan 8.150 nan 0.000 0.472 289 P HA 0.275 nan 4.420 nan 0.000 0.270 289 P C -2.561 174.824 177.300 0.141 0.000 1.223 289 P CA -0.751 62.327 63.100 -0.037 0.000 0.785 289 P CB 0.032 31.639 31.700 -0.155 0.000 0.923 290 P HA 0.161 nan 4.420 nan 0.000 0.274 290 P C -0.440 177.051 177.300 0.319 0.000 1.246 290 P CA -0.214 63.028 63.100 0.236 0.000 0.795 290 P CB 0.389 32.131 31.700 0.069 0.000 1.006 291 L N 1.281 122.689 121.223 0.308 0.000 2.452 291 L HA 0.232 4.572 4.340 -0.000 0.000 0.267 291 L C 1.348 178.395 176.870 0.295 0.000 1.188 291 L CA -0.136 54.876 54.840 0.286 0.000 0.821 291 L CB -0.026 42.058 42.059 0.042 0.000 1.102 291 L HN 0.314 nan 8.230 nan 0.000 0.470 292 R N 1.160 121.797 120.500 0.229 0.000 2.981 292 R HA 0.348 4.688 4.340 -0.000 0.000 0.228 292 R C -0.361 176.030 176.300 0.152 0.000 1.421 292 R CA -0.898 55.294 56.100 0.155 0.000 1.073 292 R CB 0.371 30.724 30.300 0.088 0.000 1.568 292 R HN 0.685 nan 8.270 nan 0.000 0.514 293 E N 0.592 120.856 120.200 0.106 0.000 2.392 293 E HA 0.019 4.369 4.350 -0.000 0.000 0.256 293 E C 0.609 177.270 176.600 0.103 0.000 1.145 293 E CA -0.442 56.016 56.400 0.097 0.000 0.929 293 E CB 0.741 30.480 29.700 0.065 0.000 0.998 293 E HN 0.336 nan 8.360 nan 0.000 0.442 294 R N 0.657 121.216 120.500 0.098 0.000 2.105 294 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 294 R C 2.062 178.417 176.300 0.093 0.000 1.135 294 R CA 1.828 57.989 56.100 0.102 0.000 0.967 294 R CB -0.539 29.813 30.300 0.088 0.000 0.861 294 R HN 0.628 nan 8.270 nan 0.000 0.442 295 Q N 0.251 120.094 119.800 0.072 0.000 2.170 295 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 295 Q C 1.639 177.678 176.000 0.066 0.000 0.976 295 Q CA 1.749 57.589 55.803 0.062 0.000 0.858 295 Q CB -0.013 28.752 28.738 0.045 0.000 0.907 295 Q HN 0.376 nan 8.270 nan 0.000 0.433 296 E N -0.797 119.442 120.200 0.065 0.000 2.152 296 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 296 E C 1.914 178.557 176.600 0.071 0.000 0.983 296 E CA 0.594 57.026 56.400 0.053 0.000 0.818 296 E CB 0.113 29.838 29.700 0.043 0.000 0.758 296 E HN 0.098 nan 8.360 nan 0.000 0.467 297 V N 0.483 120.464 119.914 0.111 0.000 2.548 297 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 297 V C 2.140 178.376 176.094 0.236 0.000 1.055 297 V CA 1.789 64.184 62.300 0.158 0.000 1.065 297 V CB -0.370 31.571 31.823 0.196 0.000 0.681 297 V HN 0.200 nan 8.190 nan 0.000 0.462 298 E N 0.438 120.756 120.200 0.196 0.000 2.152 298 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 298 E C 1.759 178.466 176.600 0.178 0.000 0.983 298 E CA 1.061 57.584 56.400 0.205 0.000 0.818 298 E CB -0.212 29.560 29.700 0.119 0.000 0.758 298 E HN 0.557 nan 8.360 nan 0.000 0.467 299 D N -0.301 120.167 120.400 0.113 0.000 2.117 299 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 299 D C 1.797 178.135 176.300 0.064 0.000 0.982 299 D CA 0.586 54.631 54.000 0.074 0.000 0.828 299 D CB -0.249 40.574 40.800 0.038 0.000 0.967 299 D HN 0.169 nan 8.370 nan 0.000 0.464 300 L N -0.629 120.618 121.223 0.039 0.000 2.083 300 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 300 L C 1.916 178.735 176.870 -0.085 0.000 1.083 300 L CA 1.550 56.355 54.840 -0.059 0.000 0.752 300 L CB -0.565 41.420 42.059 -0.123 0.000 0.899 300 L HN 0.136 nan 8.230 nan 0.000 0.433 301 W N -0.011 121.294 121.300 0.008 0.000 2.358 301 W HA -0.204 4.456 4.660 -0.000 0.000 0.303 301 W C 2.349 178.872 176.519 0.006 0.000 1.208 301 W CA 1.209 58.558 57.345 0.008 0.000 1.274 301 W CB -0.263 29.204 29.460 0.011 0.000 1.138 301 W HN 0.169 nan 8.180 nan 0.000 0.515 302 D N -0.858 119.684 120.400 0.235 0.000 2.149 302 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 302 D C 2.331 178.681 176.300 0.083 0.000 0.990 302 D CA 1.768 55.850 54.000 0.137 0.000 0.839 302 D CB -1.046 39.811 40.800 0.094 0.000 0.948 302 D HN 0.228 nan 8.370 nan 0.000 0.460 303 G N 0.718 109.545 108.800 0.045 0.000 2.404 303 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 303 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 303 G C 1.688 176.587 174.900 -0.002 0.000 1.174 303 G CA 0.456 45.559 45.100 0.005 0.000 0.780 303 G HN 0.292 nan 8.290 nan 0.000 0.537 304 L N -0.481 120.727 121.223 -0.023 0.000 2.012 304 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 304 L C 2.822 179.721 176.870 0.049 0.000 1.073 304 L CA 1.785 56.603 54.840 -0.037 0.000 0.748 304 L CB -0.144 41.818 42.059 -0.162 0.000 0.891 304 L HN 0.228 nan 8.230 nan 0.000 0.431 305 M N -0.497 119.176 119.600 0.121 0.000 2.159 305 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 305 M C 2.086 178.431 176.300 0.074 0.000 1.063 305 M CA 1.906 57.283 55.300 0.128 0.000 1.110 305 M CB -0.510 32.183 32.600 0.155 0.000 1.374 305 M HN 0.370 nan 8.290 nan 0.000 0.411 306 A N -1.538 121.316 122.820 0.055 0.000 2.119 306 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 306 A C 1.735 179.333 177.584 0.023 0.000 1.153 306 A CA 1.002 53.060 52.037 0.035 0.000 0.692 306 A CB -0.926 18.090 19.000 0.027 0.000 0.799 306 A HN 0.777 nan 8.150 nan 0.000 0.458 307 G N -0.960 107.852 108.800 0.020 0.000 2.144 307 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 307 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 307 G C 0.362 175.260 174.900 -0.003 0.000 0.988 307 G CA 0.428 45.534 45.100 0.010 0.000 0.659 307 G HN 0.565 nan 8.290 nan 0.000 0.522 308 E N -0.493 119.701 120.200 -0.010 0.000 2.482 308 E HA 0.201 4.551 4.350 -0.000 0.000 0.196 308 E C 0.763 177.342 176.600 -0.034 0.000 1.047 308 E CA 0.371 56.758 56.400 -0.022 0.000 0.869 308 E CB 0.356 30.041 29.700 -0.025 0.000 0.836 308 E HN 0.659 nan 8.360 nan 0.000 0.520 309 I N 1.154 121.702 120.570 -0.036 0.000 2.378 309 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 309 I C 0.698 176.807 176.117 -0.012 0.000 0.992 309 I CA -0.450 60.827 61.300 -0.039 0.000 1.154 309 I CB 1.812 39.768 38.000 -0.074 0.000 1.315 309 I HN -0.156 nan 8.210 nan 0.000 0.448 310 D N 5.396 125.803 120.400 0.012 0.000 2.137 310 D HA 0.057 4.697 4.640 -0.000 0.000 0.202 310 D C 0.154 176.478 176.300 0.041 0.000 0.970 310 D CA 1.465 55.483 54.000 0.029 0.000 0.837 310 D CB 0.375 41.207 40.800 0.053 0.000 0.981 310 D HN 0.339 nan 8.370 nan 0.000 0.475 311 L N -2.545 118.718 121.223 0.067 0.000 2.600 311 L HA 0.502 4.842 4.340 -0.000 0.000 0.257 311 L C -1.335 175.567 176.870 0.053 0.000 1.048 311 L CA -1.075 53.806 54.840 0.068 0.000 0.869 311 L CB 1.908 44.033 42.059 0.111 0.000 1.482 311 L HN -0.341 nan 8.230 nan 0.000 0.408 312 I N 1.466 122.054 120.570 0.030 0.000 2.509 312 I HA 0.763 4.933 4.170 -0.000 0.000 0.293 312 I C -0.094 176.037 176.117 0.024 0.000 1.020 312 I CA -0.120 61.182 61.300 0.005 0.000 1.088 312 I CB 1.855 39.831 38.000 -0.040 0.000 1.267 312 I HN 1.018 nan 8.210 nan 0.000 0.430 313 S N 2.504 118.227 115.700 0.038 0.000 2.697 313 S HA 0.500 4.970 4.470 -0.000 0.000 0.289 313 S C 0.471 175.099 174.600 0.046 0.000 1.149 313 S CA -0.042 58.194 58.200 0.059 0.000 0.850 313 S CB 1.899 65.185 63.200 0.142 0.000 1.151 313 S HN 0.614 nan 8.310 nan 0.000 0.491 314 S N -0.425 115.325 115.700 0.084 0.000 2.470 314 S HA 0.128 4.598 4.470 -0.000 0.000 0.222 314 S C 0.410 175.129 174.600 0.197 0.000 1.024 314 S CA 0.930 59.210 58.200 0.135 0.000 0.931 314 S CB -0.858 62.440 63.200 0.163 0.000 0.791 314 S HN 1.164 nan 8.310 nan 0.000 0.513 315 D N 1.566 122.022 120.400 0.093 0.000 2.735 315 D HA -0.253 4.387 4.640 -0.000 0.000 0.235 315 D C -0.406 176.057 176.300 0.271 0.000 1.175 315 D CA 0.506 54.504 54.000 -0.003 0.000 0.683 315 D CB -2.294 38.453 40.800 -0.088 0.000 1.008 315 D HN 0.729 nan 8.370 nan 0.000 0.416 316 H N 0.816 120.025 119.070 0.231 0.000 3.289 316 H HA 0.371 4.927 4.556 -0.000 0.000 0.248 316 H C -0.306 175.215 175.328 0.320 0.000 1.175 316 H CA 0.884 57.061 56.048 0.215 0.000 1.496 316 H CB 0.210 30.086 29.762 0.190 0.000 1.571 316 H HN 0.085 nan 8.280 nan 0.000 0.495 317 S N 7.469 123.155 115.700 -0.024 0.000 2.406 317 S HA 0.361 4.831 4.470 -0.000 0.000 0.224 317 S C -3.019 171.559 174.600 -0.037 0.000 1.426 317 S CA -1.472 56.743 58.200 0.025 0.000 1.179 317 S CB 0.117 63.304 63.200 -0.022 0.000 1.042 317 S HN 0.513 nan 8.310 nan 0.000 0.479 318 P HA 0.574 nan 4.420 nan 0.000 0.290 318 P C -0.977 176.038 177.300 -0.475 0.000 1.283 318 P CA -0.426 62.527 63.100 -0.245 0.000 0.869 318 P CB 1.699 33.262 31.700 -0.228 0.000 1.100 319 S N 0.670 115.994 115.700 -0.627 0.000 2.656 319 S HA 0.584 5.054 4.470 -0.000 0.000 0.273 319 S C -0.493 173.592 174.600 -0.857 0.000 1.168 319 S CA -0.994 56.468 58.200 -1.229 0.000 0.817 319 S CB 0.257 62.649 63.200 -1.347 0.000 1.146 319 S HN 0.212 nan 8.310 nan 0.000 0.475 320 L N 1.316 121.990 121.223 -0.914 0.000 2.467 320 L HA 0.259 4.599 4.340 -0.000 0.000 0.270 320 L C -1.494 175.091 176.870 -0.475 0.000 1.205 320 L CA -1.693 52.721 54.840 -0.711 0.000 0.828 320 L CB -0.052 41.776 42.059 -0.385 0.000 1.101 320 L HN 0.509 nan 8.230 nan 0.000 0.479 321 P HA -0.242 nan 4.420 nan 0.000 0.216 321 P C 1.147 178.361 177.300 -0.143 0.000 1.157 321 P CA 1.329 64.315 63.100 -0.189 0.000 0.880 321 P CB 0.079 31.718 31.700 -0.102 0.000 0.791 322 Q N -1.514 118.209 119.800 -0.128 0.000 2.364 322 Q HA -0.064 4.276 4.340 -0.000 0.000 0.207 322 Q C 1.981 177.928 176.000 -0.088 0.000 0.970 322 Q CA 1.269 57.020 55.803 -0.086 0.000 0.888 322 Q CB -1.135 27.569 28.738 -0.057 0.000 0.951 322 Q HN 0.217 nan 8.270 nan 0.000 0.469 323 M N -0.263 119.246 119.600 -0.152 0.000 2.419 323 M HA 0.046 4.526 4.480 -0.000 0.000 0.264 323 M C 0.435 176.691 176.300 -0.073 0.000 1.082 323 M CA 0.878 56.085 55.300 -0.155 0.000 1.119 323 M CB 0.450 32.830 32.600 -0.367 0.000 1.398 323 M HN -0.090 nan 8.290 nan 0.000 0.453 324 K N 0.665 121.021 120.400 -0.075 0.000 3.129 324 K HA 0.166 4.486 4.320 -0.000 0.000 0.241 324 K C -1.206 175.422 176.600 0.047 0.000 1.239 324 K CA 0.120 56.411 56.287 0.006 0.000 1.239 324 K CB -0.019 32.465 32.500 -0.027 0.000 1.347 324 K HN 0.016 nan 8.250 nan 0.000 0.435 325 T N -0.691 113.889 114.554 0.042 0.000 2.991 325 T HA 0.711 5.061 4.350 -0.000 0.000 0.303 325 T C -0.519 174.224 174.700 0.073 0.000 1.015 325 T CA -0.920 61.194 62.100 0.023 0.000 1.007 325 T CB 1.824 70.673 68.868 -0.032 0.000 1.034 325 T HN 0.308 nan 8.240 nan 0.000 0.446 326 G N 1.267 110.141 108.800 0.123 0.000 2.608 326 G HA2 0.461 4.421 3.960 -0.000 0.000 0.291 326 G HA3 0.461 4.421 3.960 -0.000 0.000 0.291 326 G C 0.024 174.995 174.900 0.119 0.000 1.425 326 G CA -0.848 44.321 45.100 0.116 0.000 0.787 326 G HN 0.519 nan 8.290 nan 0.000 0.484 327 K N -1.094 119.357 120.400 0.086 0.000 2.057 327 K HA 0.093 4.413 4.320 -0.000 0.000 0.206 327 K C 1.294 177.960 176.600 0.110 0.000 1.050 327 K CA 1.615 57.946 56.287 0.073 0.000 0.935 327 K CB 0.009 32.541 32.500 0.054 0.000 0.715 327 K HN 0.451 nan 8.250 nan 0.000 0.439 328 T N -1.549 113.071 114.554 0.110 0.000 2.888 328 T HA 0.247 4.597 4.350 -0.000 0.000 0.288 328 T C 0.619 175.245 174.700 -0.124 0.000 1.063 328 T CA -0.830 61.304 62.100 0.057 0.000 1.010 328 T CB 1.253 70.179 68.868 0.096 0.000 1.214 328 T HN 0.013 nan 8.240 nan 0.000 0.533 329 I N 0.869 121.188 120.570 -0.419 0.000 2.493 329 I HA 0.086 4.256 4.170 -0.000 0.000 0.254 329 I C 1.294 176.951 176.117 -0.766 0.000 1.160 329 I CA 1.611 62.393 61.300 -0.864 0.000 1.445 329 I CB -0.241 37.149 38.000 -1.015 0.000 1.086 329 I HN 0.669 nan 8.210 nan 0.000 0.433 330 F N 0.380 120.184 119.950 -0.244 0.000 2.293 330 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 330 F C 2.411 178.147 175.800 -0.106 0.000 1.089 330 F CA 0.975 58.891 58.000 -0.139 0.000 1.377 330 F CB -0.787 38.194 39.000 -0.032 0.000 1.051 330 F HN 0.047 nan 8.300 nan 0.000 0.511 331 E N 0.511 120.754 120.200 0.071 0.000 2.153 331 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 331 E C 0.351 176.972 176.600 0.035 0.000 0.988 331 E CA 0.418 56.856 56.400 0.063 0.000 0.811 331 E CB -0.042 29.700 29.700 0.070 0.000 0.746 331 E HN 0.050 nan 8.360 nan 0.000 0.466 332 V N 0.994 120.879 119.914 -0.049 0.000 2.686 332 V HA -0.008 4.112 4.120 -0.000 0.000 0.295 332 V C -0.066 176.018 176.094 -0.017 0.000 1.055 332 V CA -0.332 61.946 62.300 -0.037 0.000 1.050 332 V CB 0.649 32.374 31.823 -0.163 0.000 0.984 332 V HN 0.279 nan 8.190 nan 0.000 0.482 333 W N 3.977 125.199 121.300 -0.129 0.000 2.446 333 W HA 0.518 5.178 4.660 -0.000 0.000 0.316 333 W C 0.771 177.171 176.519 -0.198 0.000 1.376 333 W CA 0.007 57.264 57.345 -0.147 0.000 1.300 333 W CB 0.439 29.788 29.460 -0.185 0.000 1.351 333 W HN 0.766 nan 8.180 nan 0.000 0.530 334 G N 3.394 111.816 108.800 -0.630 0.000 2.400 334 G HA2 0.643 4.603 3.960 -0.000 0.000 0.301 334 G HA3 0.643 4.603 3.960 -0.000 0.000 0.301 334 G C -0.474 173.961 174.900 -0.774 0.000 1.154 334 G CA -0.011 44.760 45.100 -0.547 0.000 0.852 334 G HN 1.012 nan 8.290 nan 0.000 0.511 335 G N -0.343 108.208 108.800 -0.414 0.000 2.376 335 G HA2 0.396 4.356 3.960 -0.000 0.000 0.302 335 G HA3 0.396 4.356 3.960 -0.000 0.000 0.302 335 G C -1.428 173.316 174.900 -0.261 0.000 1.586 335 G CA -0.908 43.995 45.100 -0.329 0.000 0.907 335 G HN 0.704 nan 8.290 nan 0.000 0.655 336 I N 1.280 121.665 120.570 -0.307 0.000 2.418 336 I HA 0.569 4.739 4.170 -0.000 0.000 0.287 336 I C 0.627 176.628 176.117 -0.193 0.000 1.008 336 I CA -0.925 60.182 61.300 -0.321 0.000 1.104 336 I CB 2.020 39.669 38.000 -0.584 0.000 1.264 336 I HN 0.754 nan 8.210 nan 0.000 0.438 337 A N 4.361 127.065 122.820 -0.193 0.000 2.302 337 A HA 0.680 5.000 4.320 -0.000 0.000 0.295 337 A C 0.745 178.395 177.584 0.110 0.000 1.235 337 A CA -0.015 51.875 52.037 -0.245 0.000 0.876 337 A CB 0.100 18.824 19.000 -0.460 0.000 1.133 337 A HN 1.013 nan 8.150 nan 0.000 0.533 338 G N 0.408 109.462 108.800 0.424 0.000 4.731 338 G HA2 0.118 4.078 3.960 -0.000 0.000 0.224 338 G HA3 0.118 4.078 3.960 -0.000 0.000 0.224 338 G C 0.716 175.841 174.900 0.375 0.000 0.955 338 G CA 0.654 46.104 45.100 0.584 0.000 0.809 338 G HN 1.386 nan 8.290 nan 0.000 0.307 339 C N -0.985 118.473 119.300 0.264 0.000 2.539 339 C HA 0.256 4.716 4.460 -0.000 0.000 0.271 339 C C 1.886 176.911 174.990 0.058 0.000 1.412 339 C CA 0.670 59.722 59.018 0.056 0.000 1.729 339 C CB -0.690 26.945 27.740 -0.175 0.000 1.739 339 C HN 0.480 nan 8.230 nan 0.000 0.570 340 Q N 0.991 120.901 119.800 0.184 0.000 2.376 340 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 340 Q C 1.315 177.274 176.000 -0.069 0.000 0.921 340 Q CA 0.959 56.777 55.803 0.024 0.000 0.911 340 Q CB -0.001 28.720 28.738 -0.030 0.000 1.032 340 Q HN 0.849 nan 8.270 nan 0.000 0.510 341 N N -1.262 117.385 118.700 -0.088 0.000 2.205 341 N HA 0.049 4.789 4.740 -0.000 0.000 0.201 341 N C 0.859 176.111 175.510 -0.430 0.000 1.128 341 N CA 0.368 53.208 53.050 -0.349 0.000 0.867 341 N CB 0.701 38.899 38.487 -0.482 0.000 0.996 341 N HN 0.039 nan 8.380 nan 0.000 0.503 342 T N 1.314 115.720 114.554 -0.246 0.000 2.607 342 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 342 T C 1.790 176.357 174.700 -0.221 0.000 1.049 342 T CA 1.101 63.081 62.100 -0.199 0.000 1.162 342 T CB -0.301 68.507 68.868 -0.100 0.000 0.863 342 T HN 0.153 nan 8.240 nan 0.000 0.424 343 L N 1.165 122.257 121.223 -0.219 0.000 2.056 343 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 343 L C 2.647 179.358 176.870 -0.265 0.000 1.078 343 L CA 1.828 56.529 54.840 -0.231 0.000 0.749 343 L CB -0.977 40.931 42.059 -0.252 0.000 0.901 343 L HN 0.243 nan 8.230 nan 0.000 0.433 344 A N -0.776 121.828 122.820 -0.358 0.000 1.873 344 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 344 A C 2.452 179.712 177.584 -0.540 0.000 1.193 344 A CA 2.426 54.165 52.037 -0.496 0.000 0.629 344 A CB -1.514 17.003 19.000 -0.805 0.000 0.826 344 A HN 0.442 nan 8.150 nan 0.000 0.447 345 V N -0.638 118.916 119.914 -0.600 0.000 2.427 345 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 345 V C 2.263 178.340 176.094 -0.027 0.000 1.051 345 V CA 2.484 64.639 62.300 -0.241 0.000 1.048 345 V CB -0.567 31.137 31.823 -0.197 0.000 0.666 345 V HN 0.477 nan 8.190 nan 0.000 0.456 346 M N -0.528 119.040 119.600 -0.054 0.000 2.117 346 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 346 M C 2.147 178.513 176.300 0.110 0.000 1.065 346 M CA 1.744 57.083 55.300 0.065 0.000 1.114 346 M CB -1.525 31.075 32.600 0.001 0.000 1.361 346 M HN 0.418 nan 8.290 nan 0.000 0.408 347 L N -0.178 121.069 121.223 0.040 0.000 2.083 347 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 347 L C 2.232 179.256 176.870 0.256 0.000 1.083 347 L CA 1.781 56.683 54.840 0.103 0.000 0.752 347 L CB -1.272 40.803 42.059 0.028 0.000 0.899 347 L HN 0.320 nan 8.230 nan 0.000 0.433 348 T N -1.555 113.120 114.554 0.202 0.000 2.755 348 T HA -0.062 4.288 4.350 -0.000 0.000 0.251 348 T C 1.727 176.513 174.700 0.143 0.000 1.044 348 T CA 0.688 62.924 62.100 0.226 0.000 1.154 348 T CB -0.029 68.969 68.868 0.216 0.000 0.866 348 T HN 0.172 nan 8.240 nan 0.000 0.416 349 E N 0.731 120.996 120.200 0.107 0.000 2.106 349 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 349 E C 2.346 178.812 176.600 -0.224 0.000 0.984 349 E CA 1.081 57.472 56.400 -0.015 0.000 0.806 349 E CB -0.448 29.349 29.700 0.161 0.000 0.750 349 E HN 0.525 nan 8.360 nan 0.000 0.458 350 G N -0.407 108.398 108.800 0.008 0.000 2.508 350 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.212 350 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.212 350 G C 1.566 176.468 174.900 0.003 0.000 1.206 350 G CA 0.419 45.516 45.100 -0.005 0.000 0.822 350 G HN 0.294 nan 8.290 nan 0.000 0.550 351 Y N 0.748 121.018 120.300 -0.050 0.000 2.109 351 Y HA -0.097 4.453 4.550 -0.000 0.000 0.285 351 Y C 2.908 178.692 175.900 -0.193 0.000 1.131 351 Y CA 2.428 60.446 58.100 -0.137 0.000 1.121 351 Y CB -0.134 38.201 38.460 -0.209 0.000 0.987 351 Y HN 0.359 nan 8.280 nan 0.000 0.495 352 H N -0.647 118.340 119.070 -0.139 0.000 2.307 352 H HA -0.051 4.505 4.556 -0.000 0.000 0.303 352 H C 2.243 177.446 175.328 -0.209 0.000 1.073 352 H CA 1.818 57.725 56.048 -0.235 0.000 1.338 352 H CB -0.041 29.686 29.762 -0.059 0.000 1.389 352 H HN 0.164 nan 8.280 nan 0.000 0.503 353 K N 0.595 120.968 120.400 -0.045 0.000 2.007 353 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 353 K C 1.379 177.857 176.600 -0.203 0.000 1.047 353 K CA 1.155 57.367 56.287 -0.125 0.000 0.937 353 K CB 0.267 32.679 32.500 -0.148 0.000 0.718 353 K HN 0.095 nan 8.250 nan 0.000 0.438 354 R N 0.146 120.475 120.500 -0.285 0.000 2.468 354 R HA 0.167 4.507 4.340 -0.000 0.000 0.280 354 R C -0.499 175.685 176.300 -0.193 0.000 0.963 354 R CA 0.033 55.948 56.100 -0.308 0.000 1.083 354 R CB 0.451 30.410 30.300 -0.569 0.000 1.200 354 R HN 0.108 nan 8.270 nan 0.000 0.541 355 K N 1.060 121.348 120.400 -0.187 0.000 3.071 355 K HA -0.200 4.120 4.320 -0.000 0.000 0.265 355 K C -0.020 176.550 176.600 -0.051 0.000 1.060 355 K CA 0.840 57.031 56.287 -0.160 0.000 0.767 355 K CB -1.478 30.947 32.500 -0.125 0.000 1.241 355 K HN 0.402 nan 8.250 nan 0.000 0.486 356 M N -0.203 119.403 119.600 0.010 0.000 2.217 356 M HA 0.324 4.804 4.480 -0.000 0.000 0.354 356 M C -2.314 174.098 176.300 0.186 0.000 1.225 356 M CA -1.438 53.930 55.300 0.114 0.000 1.137 356 M CB 0.523 33.237 32.600 0.190 0.000 1.576 356 M HN -0.266 nan 8.290 nan 0.000 0.461 357 P HA 0.125 nan 4.420 nan 0.000 0.271 357 P C 0.286 177.677 177.300 0.151 0.000 1.218 357 P CA -0.264 62.938 63.100 0.170 0.000 0.780 357 P CB 0.663 32.426 31.700 0.105 0.000 0.901 358 L N 1.273 122.546 121.223 0.084 0.000 2.079 358 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 358 L C 2.407 179.322 176.870 0.075 0.000 1.081 358 L CA 2.288 57.130 54.840 0.004 0.000 0.752 358 L CB -1.354 40.605 42.059 -0.166 0.000 0.896 358 L HN 0.505 nan 8.230 nan 0.000 0.433 359 T N -3.293 111.289 114.554 0.046 0.000 2.759 359 T HA -0.327 4.023 4.350 -0.000 0.000 0.269 359 T C 1.791 176.535 174.700 0.073 0.000 1.042 359 T CA 1.443 63.573 62.100 0.049 0.000 1.140 359 T CB -0.342 68.549 68.868 0.039 0.000 0.864 359 T HN 0.360 nan 8.240 nan 0.000 0.455 360 Q N 0.484 120.332 119.800 0.080 0.000 2.230 360 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 360 Q C 2.360 178.410 176.000 0.084 0.000 0.963 360 Q CA 1.233 57.083 55.803 0.078 0.000 0.866 360 Q CB -0.230 28.560 28.738 0.087 0.000 0.931 360 Q HN 0.859 nan 8.270 nan 0.000 0.452 361 I N -2.016 118.615 120.570 0.102 0.000 2.617 361 I HA -0.133 4.037 4.170 -0.000 0.000 0.256 361 I C 1.651 177.822 176.117 0.091 0.000 1.167 361 I CA 0.533 61.885 61.300 0.087 0.000 1.469 361 I CB 0.075 38.120 38.000 0.075 0.000 1.098 361 I HN -0.087 nan 8.210 nan 0.000 0.436 362 V N 1.249 121.250 119.914 0.145 0.000 2.307 362 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 362 V C 2.650 178.801 176.094 0.095 0.000 1.045 362 V CA 2.321 64.714 62.300 0.156 0.000 1.024 362 V CB -0.962 30.966 31.823 0.175 0.000 0.651 362 V HN 0.563 nan 8.190 nan 0.000 0.449 363 Q N -0.354 119.491 119.800 0.075 0.000 2.045 363 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 363 Q C 2.185 178.205 176.000 0.032 0.000 0.991 363 Q CA 2.007 57.838 55.803 0.046 0.000 0.851 363 Q CB -0.130 28.630 28.738 0.036 0.000 0.911 363 Q HN 0.613 nan 8.270 nan 0.000 0.418 364 L N -0.388 120.855 121.223 0.033 0.000 2.270 364 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 364 L C 1.641 178.521 176.870 0.017 0.000 1.104 364 L CA 0.206 55.058 54.840 0.021 0.000 0.804 364 L CB 0.079 42.144 42.059 0.010 0.000 0.937 364 L HN 0.195 nan 8.230 nan 0.000 0.450 365 L N -2.142 119.091 121.223 0.017 0.000 2.616 365 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 365 L C 1.840 178.711 176.870 0.002 0.000 1.110 365 L CA 0.677 55.516 54.840 -0.002 0.000 0.884 365 L CB 0.628 42.672 42.059 -0.024 0.000 1.115 365 L HN 0.099 nan 8.230 nan 0.000 0.481 366 S N -2.666 113.052 115.700 0.030 0.000 3.770 366 S HA 0.005 4.475 4.470 -0.000 0.000 0.238 366 S C 1.629 176.271 174.600 0.069 0.000 1.143 366 S CA 0.684 58.910 58.200 0.045 0.000 0.869 366 S CB -0.151 63.096 63.200 0.079 0.000 1.057 366 S HN 0.203 nan 8.310 nan 0.000 0.507 367 T N 2.378 116.979 114.554 0.078 0.000 2.770 367 T HA 0.114 4.464 4.350 -0.000 0.000 0.258 367 T C 1.621 176.321 174.700 -0.001 0.000 1.039 367 T CA 1.010 63.161 62.100 0.084 0.000 1.143 367 T CB -0.334 68.579 68.868 0.075 0.000 0.866 367 T HN 0.247 nan 8.240 nan 0.000 0.428 368 E N 0.820 121.011 120.200 -0.014 0.000 2.106 368 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 368 E C -0.514 176.107 176.600 0.035 0.000 0.984 368 E CA 1.080 57.464 56.400 -0.027 0.000 0.806 368 E CB -1.405 28.285 29.700 -0.018 0.000 0.750 368 E HN 0.351 nan 8.360 nan 0.000 0.458 369 P HA -0.171 nan 4.420 nan 0.000 0.216 369 P C 1.230 178.651 177.300 0.202 0.000 1.153 369 P CA 2.211 65.386 63.100 0.125 0.000 0.858 369 P CB -0.095 31.594 31.700 -0.017 0.000 0.789 370 A N -0.324 122.579 122.820 0.138 0.000 1.873 370 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 370 A C 2.138 179.838 177.584 0.194 0.000 1.186 370 A CA 1.713 53.871 52.037 0.201 0.000 0.616 370 A CB -1.012 18.128 19.000 0.233 0.000 0.823 370 A HN 0.119 nan 8.150 nan 0.000 0.442 371 K N -1.019 119.417 120.400 0.060 0.000 2.026 371 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 371 K C 2.324 178.898 176.600 -0.043 0.000 1.048 371 K CA 1.514 57.774 56.287 -0.046 0.000 0.929 371 K CB -0.173 32.180 32.500 -0.246 0.000 0.713 371 K HN 0.250 nan 8.250 nan 0.000 0.439 372 R N 0.492 120.932 120.500 -0.100 0.000 2.152 372 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 372 R C 1.108 177.089 176.300 -0.532 0.000 1.117 372 R CA 1.494 57.388 56.100 -0.344 0.000 0.981 372 R CB -0.186 29.821 30.300 -0.489 0.000 0.870 372 R HN 0.135 nan 8.270 nan 0.000 0.451 373 F N -1.869 118.114 119.950 0.056 0.000 2.661 373 F HA 0.370 4.897 4.527 -0.000 0.000 0.306 373 F C 1.345 177.153 175.800 0.013 0.000 1.094 373 F CA 0.326 58.350 58.000 0.040 0.000 1.254 373 F CB 1.092 40.171 39.000 0.131 0.000 1.040 373 F HN 0.190 nan 8.300 nan 0.000 0.562 374 G N 0.747 109.632 108.800 0.141 0.000 2.159 374 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.227 374 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.227 374 G C 0.315 175.280 174.900 0.109 0.000 0.986 374 G CA -0.016 45.143 45.100 0.099 0.000 0.651 374 G HN 0.308 nan 8.290 nan 0.000 0.523 375 L N 0.247 121.564 121.223 0.156 0.000 3.073 375 L HA 0.537 4.877 4.340 -0.000 0.000 0.242 375 L C 0.064 177.033 176.870 0.164 0.000 1.317 375 L CA -0.751 54.164 54.840 0.125 0.000 1.081 375 L CB 0.169 42.301 42.059 0.121 0.000 1.456 375 L HN 0.262 nan 8.230 nan 0.000 0.525 376 Y N 1.476 121.799 120.300 0.038 0.000 2.409 376 Y HA 0.531 5.081 4.550 -0.000 0.000 0.343 376 Y C -1.832 174.082 175.900 0.023 0.000 0.973 376 Y CA -1.725 56.395 58.100 0.032 0.000 1.064 376 Y CB 2.011 40.492 38.460 0.035 0.000 1.207 376 Y HN -0.003 nan 8.280 nan 0.000 0.452 377 P HA 0.091 nan 4.420 nan 0.000 0.259 377 P C 0.492 177.585 177.300 -0.344 0.000 1.530 377 P CA 0.182 62.743 63.100 -0.898 0.000 1.022 377 P CB 0.567 31.731 31.700 -0.893 0.000 1.514 378 Q N 1.168 120.872 119.800 -0.160 0.000 2.020 378 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 378 Q C 0.135 176.101 176.000 -0.056 0.000 0.982 378 Q CA 1.255 57.007 55.803 -0.084 0.000 0.838 378 Q CB 0.152 28.860 28.738 -0.050 0.000 0.899 378 Q HN 0.264 nan 8.270 nan 0.000 0.423 379 K N -1.963 118.430 120.400 -0.012 0.000 2.185 379 K HA 0.474 4.794 4.320 -0.000 0.000 0.240 379 K C 0.126 176.782 176.600 0.094 0.000 0.983 379 K CA 0.052 56.355 56.287 0.027 0.000 0.873 379 K CB 1.611 34.135 32.500 0.040 0.000 1.118 379 K HN 0.288 nan 8.250 nan 0.000 0.441 380 G N 0.337 109.203 108.800 0.111 0.000 2.157 380 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 380 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 380 G C -0.026 174.991 174.900 0.194 0.000 0.979 380 G CA 0.472 45.682 45.100 0.183 0.000 0.650 380 G HN 0.723 nan 8.290 nan 0.000 0.529 381 T N -1.805 112.820 114.554 0.120 0.000 2.896 381 T HA 0.732 5.082 4.350 -0.000 0.000 0.297 381 T C -0.469 174.306 174.700 0.124 0.000 1.108 381 T CA -0.871 61.292 62.100 0.105 0.000 1.004 381 T CB 2.547 71.417 68.868 0.003 0.000 1.159 381 T HN 0.568 nan 8.240 nan 0.000 0.499 382 I N 2.548 123.189 120.570 0.119 0.000 2.428 382 I HA 0.405 4.575 4.170 -0.000 0.000 0.279 382 I C -0.166 176.009 176.117 0.098 0.000 1.040 382 I CA -0.488 60.886 61.300 0.124 0.000 1.171 382 I CB 0.801 38.831 38.000 0.051 0.000 1.312 382 I HN 0.743 nan 8.210 nan 0.000 0.470 383 Q N 4.275 124.123 119.800 0.079 0.000 2.482 383 Q HA 0.507 4.847 4.340 -0.000 0.000 0.286 383 Q C -1.458 174.566 176.000 0.040 0.000 1.007 383 Q CA -1.006 54.826 55.803 0.049 0.000 0.801 383 Q CB 2.388 31.135 28.738 0.015 0.000 1.455 383 Q HN 0.153 nan 8.270 nan 0.000 0.398 384 V N 1.885 121.815 119.914 0.026 0.000 2.493 384 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 384 V C 1.368 177.471 176.094 0.014 0.000 1.016 384 V CA 2.050 64.365 62.300 0.024 0.000 1.097 384 V CB -0.044 31.789 31.823 0.017 0.000 0.947 384 V HN 1.119 nan 8.190 nan 0.000 0.479 385 G N 3.686 112.498 108.800 0.021 0.000 2.213 385 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.226 385 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.226 385 G C 0.416 175.312 174.900 -0.007 0.000 0.992 385 G CA 0.165 45.268 45.100 0.006 0.000 0.632 385 G HN 1.416 nan 8.290 nan 0.000 0.511 386 A N 0.342 123.161 122.820 -0.003 0.000 2.313 386 A HA 0.636 4.956 4.320 -0.000 0.000 0.261 386 A C 0.617 178.196 177.584 -0.008 0.000 1.090 386 A CA 0.645 52.671 52.037 -0.018 0.000 0.807 386 A CB 0.364 19.355 19.000 -0.015 0.000 1.055 386 A HN 0.899 nan 8.150 nan 0.000 0.492 387 E N 0.852 121.028 120.200 -0.040 0.000 2.415 387 E HA 0.271 4.621 4.350 -0.000 0.000 0.263 387 E C 0.268 176.788 176.600 -0.133 0.000 0.995 387 E CA 0.070 56.425 56.400 -0.075 0.000 0.915 387 E CB 0.520 30.168 29.700 -0.087 0.000 0.951 387 E HN 0.649 nan 8.360 nan 0.000 0.449 388 A N 4.556 127.264 122.820 -0.187 0.000 3.046 388 A HA 0.122 4.442 4.320 -0.000 0.000 0.259 388 A C -0.358 176.653 177.584 -0.956 0.000 1.843 388 A CA -0.165 51.610 52.037 -0.437 0.000 1.451 388 A CB -0.235 18.669 19.000 -0.160 0.000 1.025 388 A HN 0.360 nan 8.150 nan 0.000 0.625 389 S N 0.971 116.146 115.700 -0.874 0.000 2.566 389 S HA 0.753 5.223 4.470 -0.000 0.000 0.324 389 S C -0.707 173.538 174.600 -0.591 0.000 1.081 389 S CA -0.383 57.423 58.200 -0.656 0.000 1.105 389 S CB 0.126 63.166 63.200 -0.267 0.000 0.981 389 S HN 0.532 nan 8.310 nan 0.000 0.464 390 F N -0.371 119.590 119.950 0.018 0.000 2.715 390 F HA 0.813 5.340 4.527 -0.000 0.000 0.318 390 F C -0.123 175.706 175.800 0.048 0.000 1.141 390 F CA -1.106 56.918 58.000 0.039 0.000 0.950 390 F CB 1.553 40.571 39.000 0.031 0.000 1.374 390 F HN 0.280 nan 8.300 nan 0.000 0.477 391 T N 1.163 115.920 114.554 0.338 0.000 2.933 391 T HA 0.654 5.004 4.350 -0.000 0.000 0.305 391 T C -1.682 173.184 174.700 0.277 0.000 1.092 391 T CA -0.509 61.735 62.100 0.240 0.000 1.008 391 T CB 1.213 70.158 68.868 0.127 0.000 1.102 391 T HN 0.700 nan 8.240 nan 0.000 0.469 392 L N 4.816 126.189 121.223 0.250 0.000 2.282 392 L HA 0.666 5.006 4.340 -0.000 0.000 0.288 392 L C -0.775 176.226 176.870 0.219 0.000 1.033 392 L CA -0.806 54.185 54.840 0.251 0.000 0.807 392 L CB 1.379 43.597 42.059 0.266 0.000 1.209 392 L HN 0.580 nan 8.230 nan 0.000 0.423 393 I N 2.669 123.396 120.570 0.263 0.000 2.545 393 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 393 I C -0.451 175.793 176.117 0.212 0.000 1.040 393 I CA -0.268 61.151 61.300 0.197 0.000 1.068 393 I CB 2.097 40.179 38.000 0.138 0.000 1.251 393 I HN 0.399 nan 8.210 nan 0.000 0.424 394 D N 6.410 126.898 120.400 0.145 0.000 2.396 394 D HA 0.267 4.907 4.640 -0.000 0.000 0.225 394 D C 0.915 177.305 176.300 0.151 0.000 1.121 394 D CA -0.061 54.028 54.000 0.149 0.000 0.853 394 D CB 1.085 41.949 40.800 0.106 0.000 1.043 394 D HN 0.428 nan 8.370 nan 0.000 0.500 395 L N 3.162 124.473 121.223 0.147 0.000 2.005 395 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 395 L C 1.627 178.680 176.870 0.304 0.000 1.072 395 L CA 0.793 55.732 54.840 0.164 0.000 0.744 395 L CB -0.280 41.793 42.059 0.024 0.000 0.895 395 L HN 0.337 nan 8.230 nan 0.000 0.433 396 N N 0.095 118.941 118.700 0.243 0.000 2.494 396 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 396 N C 0.562 176.128 175.510 0.092 0.000 1.076 396 N CA 0.268 53.426 53.050 0.181 0.000 0.908 396 N CB -0.137 38.453 38.487 0.171 0.000 0.967 396 N HN 0.368 nan 8.380 nan 0.000 0.449 397 E N 1.249 121.528 120.200 0.132 0.000 2.328 397 E HA 0.061 4.411 4.350 -0.000 0.000 0.265 397 E C -0.550 176.174 176.600 0.207 0.000 1.057 397 E CA -0.013 56.472 56.400 0.141 0.000 0.916 397 E CB 0.387 30.168 29.700 0.135 0.000 0.993 397 E HN 0.028 nan 8.360 nan 0.000 0.446 398 S N 3.407 119.196 115.700 0.149 0.000 2.632 398 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 398 S C -0.945 173.835 174.600 0.301 0.000 1.260 398 S CA -0.463 57.818 58.200 0.134 0.000 1.010 398 S CB 0.561 63.775 63.200 0.023 0.000 0.965 398 S HN 0.541 nan 8.310 nan 0.000 0.534 399 Y N -2.300 118.026 120.300 0.043 0.000 2.774 399 Y HA 0.570 5.120 4.550 -0.000 0.000 0.346 399 Y C -1.152 174.761 175.900 0.021 0.000 1.222 399 Y CA -1.236 56.891 58.100 0.045 0.000 1.088 399 Y CB 0.261 38.768 38.460 0.079 0.000 1.354 399 Y HN 0.431 nan 8.280 nan 0.000 0.455 400 T N 2.913 117.535 114.554 0.113 0.000 2.823 400 T HA 0.560 4.910 4.350 -0.000 0.000 0.279 400 T C -1.245 173.539 174.700 0.140 0.000 0.998 400 T CA -0.535 61.556 62.100 -0.015 0.000 0.994 400 T CB 1.556 70.416 68.868 -0.014 0.000 0.960 400 T HN 0.782 nan 8.240 nan 0.000 0.448 401 L N 4.894 126.152 121.223 0.059 0.000 2.275 401 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 401 L C -0.018 176.925 176.870 0.122 0.000 1.046 401 L CA -0.121 54.840 54.840 0.201 0.000 0.805 401 L CB 0.279 42.529 42.059 0.319 0.000 1.193 401 L HN 0.762 nan 8.230 nan 0.000 0.426 402 N N 3.457 122.229 118.700 0.119 0.000 2.629 402 N HA 0.438 5.178 4.740 -0.000 0.000 0.279 402 N C 0.463 176.016 175.510 0.071 0.000 1.344 402 N CA -0.357 52.743 53.050 0.083 0.000 0.789 402 N CB 1.383 39.902 38.487 0.052 0.000 1.508 402 N HN 0.564 nan 8.380 nan 0.000 0.516 403 A N 0.932 123.787 122.820 0.058 0.000 1.958 403 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 403 A C 2.087 179.665 177.584 -0.010 0.000 1.178 403 A CA 2.299 54.363 52.037 0.045 0.000 0.642 403 A CB -1.088 17.939 19.000 0.045 0.000 0.816 403 A HN 0.707 nan 8.150 nan 0.000 0.453 404 S N 0.290 115.977 115.700 -0.021 0.000 2.399 404 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 404 S C 1.372 175.894 174.600 -0.130 0.000 1.022 404 S CA 1.413 59.574 58.200 -0.066 0.000 0.983 404 S CB -0.433 62.745 63.200 -0.037 0.000 0.803 404 S HN 0.679 nan 8.310 nan 0.000 0.480 405 D N 1.357 121.708 120.400 -0.081 0.000 2.183 405 D HA 0.065 4.705 4.640 -0.000 0.000 0.203 405 D C 0.443 176.606 176.300 -0.230 0.000 0.969 405 D CA 0.402 54.343 54.000 -0.098 0.000 0.842 405 D CB -0.357 40.469 40.800 0.043 0.000 0.957 405 D HN 0.344 nan 8.370 nan 0.000 0.484 406 L N 0.586 121.679 121.223 -0.216 0.000 2.416 406 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 406 L C 0.356 176.982 176.870 -0.408 0.000 1.161 406 L CA -0.247 54.386 54.840 -0.346 0.000 0.845 406 L CB 0.413 42.265 42.059 -0.345 0.000 1.119 406 L HN -0.051 nan 8.230 nan 0.000 0.464 407 Y N 0.908 120.975 120.300 -0.387 0.000 2.524 407 Y HA 0.164 4.714 4.550 -0.000 0.000 0.266 407 Y C 0.131 175.962 175.900 -0.115 0.000 1.180 407 Y CA -0.659 57.318 58.100 -0.205 0.000 1.244 407 Y CB -0.266 38.089 38.460 -0.175 0.000 1.125 407 Y HN 0.352 nan 8.280 nan 0.000 0.524 408 Y N -0.175 120.192 120.300 0.112 0.000 2.385 408 Y HA 0.050 4.600 4.550 -0.000 0.000 0.346 408 Y C 1.946 177.855 175.900 0.014 0.000 1.270 408 Y CA -1.001 57.154 58.100 0.091 0.000 1.472 408 Y CB 0.442 39.002 38.460 0.168 0.000 1.354 408 Y HN -0.079 nan 8.280 nan 0.000 0.611 409 R N -0.066 120.527 120.500 0.155 0.000 2.096 409 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 409 R C -0.341 175.775 176.300 -0.308 0.000 1.127 409 R CA 1.415 57.457 56.100 -0.096 0.000 0.968 409 R CB -0.128 30.102 30.300 -0.117 0.000 0.861 409 R HN 0.635 nan 8.270 nan 0.000 0.440 410 H N 0.201 119.361 119.070 0.149 0.000 2.762 410 H HA 0.231 4.787 4.556 -0.000 0.000 0.310 410 H C -2.188 173.250 175.328 0.183 0.000 1.004 410 H CA -2.464 53.649 56.048 0.108 0.000 1.267 410 H CB 1.735 31.518 29.762 0.036 0.000 1.437 410 H HN 0.129 nan 8.280 nan 0.000 0.498 411 P HA 0.092 nan 4.420 nan 0.000 0.231 411 P C -0.333 177.084 177.300 0.195 0.000 1.756 411 P CA 0.174 63.395 63.100 0.203 0.000 0.990 411 P CB -0.849 30.902 31.700 0.085 0.000 1.973 412 I N -2.289 118.424 120.570 0.239 0.000 2.571 412 I HA 0.695 4.865 4.170 -0.000 0.000 0.289 412 I C -0.686 175.525 176.117 0.156 0.000 1.115 412 I CA -0.943 60.445 61.300 0.147 0.000 1.045 412 I CB 2.408 40.447 38.000 0.064 0.000 1.238 412 I HN -0.109 nan 8.210 nan 0.000 0.424 413 S N 5.401 121.187 115.700 0.143 0.000 2.542 413 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 413 S C -2.373 172.250 174.600 0.039 0.000 1.148 413 S CA -0.877 57.405 58.200 0.137 0.000 0.886 413 S CB 2.114 65.552 63.200 0.397 0.000 1.109 413 S HN 0.580 nan 8.310 nan 0.000 0.458 414 P HA -0.043 nan 4.420 nan 0.000 0.222 414 P C 0.668 177.930 177.300 -0.063 0.000 1.147 414 P CA 1.030 63.966 63.100 -0.274 0.000 0.790 414 P CB -0.195 31.149 31.700 -0.592 0.000 0.780 415 Y N -0.267 120.229 120.300 0.327 0.000 2.571 415 Y HA -0.002 4.548 4.550 -0.000 0.000 0.294 415 Y C 1.448 177.480 175.900 0.219 0.000 1.141 415 Y CA -0.331 58.013 58.100 0.406 0.000 1.308 415 Y CB -1.231 37.539 38.460 0.518 0.000 1.002 415 Y HN -0.281 nan 8.280 nan 0.000 0.551 416 V N 0.840 120.915 119.914 0.268 0.000 2.485 416 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 416 V C 1.204 177.340 176.094 0.069 0.000 1.022 416 V CA 1.210 63.604 62.300 0.157 0.000 1.067 416 V CB 0.182 32.079 31.823 0.123 0.000 0.967 416 V HN 0.671 nan 8.190 nan 0.000 0.479 417 G N 4.048 112.860 108.800 0.021 0.000 2.195 417 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 417 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 417 G C 0.108 174.952 174.900 -0.093 0.000 0.990 417 G CA 0.026 45.110 45.100 -0.026 0.000 0.639 417 G HN 0.642 nan 8.290 nan 0.000 0.514 418 Q N 0.471 120.168 119.800 -0.172 0.000 2.293 418 Q HA 0.623 4.963 4.340 -0.000 0.000 0.251 418 Q C 0.564 176.171 176.000 -0.656 0.000 0.930 418 Q CA -0.279 55.302 55.803 -0.370 0.000 0.893 418 Q CB 0.503 28.985 28.738 -0.427 0.000 1.215 418 Q HN 0.356 nan 8.270 nan 0.000 0.425 419 R N 3.542 123.740 120.500 -0.503 0.000 2.196 419 R HA 0.291 4.631 4.340 -0.000 0.000 0.340 419 R C -1.033 174.960 176.300 -0.511 0.000 1.043 419 R CA -0.087 55.743 56.100 -0.450 0.000 0.883 419 R CB 0.168 30.334 30.300 -0.223 0.000 1.078 419 R HN 0.565 nan 8.270 nan 0.000 0.462 420 F N 2.578 122.256 119.950 -0.452 0.000 2.425 420 F HA 0.452 4.979 4.527 -0.000 0.000 0.331 420 F C 0.749 176.252 175.800 -0.494 0.000 1.085 420 F CA -1.008 56.679 58.000 -0.521 0.000 1.028 420 F CB 1.577 40.142 39.000 -0.726 0.000 1.177 420 F HN 0.238 nan 8.300 nan 0.000 0.487 421 R N 1.555 122.057 120.500 0.004 0.000 2.435 421 R HA 0.596 4.936 4.340 -0.000 0.000 0.308 421 R C -0.962 175.451 176.300 0.189 0.000 0.975 421 R CA -0.492 55.618 56.100 0.017 0.000 0.867 421 R CB 1.325 31.488 30.300 -0.227 0.000 1.171 421 R HN 0.927 nan 8.270 nan 0.000 0.470 422 G N 3.997 112.973 108.800 0.293 0.000 2.594 422 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.422 422 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.422 422 G C -1.340 173.735 174.900 0.292 0.000 1.190 422 G CA -0.833 44.420 45.100 0.255 0.000 1.234 422 G HN 0.496 nan 8.290 nan 0.000 0.584 423 K N 1.273 121.803 120.400 0.217 0.000 2.156 423 K HA 0.719 5.039 4.320 -0.000 0.000 0.254 423 K C 0.318 176.922 176.600 0.006 0.000 0.950 423 K CA -0.858 55.454 56.287 0.041 0.000 0.849 423 K CB 2.307 34.682 32.500 -0.208 0.000 1.100 423 K HN 0.771 nan 8.250 nan 0.000 0.434 424 V N 5.081 124.985 119.914 -0.017 0.000 2.432 424 V HA 0.203 4.322 4.120 -0.000 0.000 0.271 424 V C 0.309 176.443 176.094 0.067 0.000 1.046 424 V CA 0.002 62.318 62.300 0.026 0.000 0.945 424 V CB 1.009 32.831 31.823 -0.002 0.000 0.992 424 V HN 0.812 nan 8.190 nan 0.000 0.471 425 K N 4.815 125.226 120.400 0.019 0.000 2.244 425 K HA 0.304 4.624 4.320 -0.000 0.000 0.200 425 K C 0.343 176.717 176.600 -0.378 0.000 1.052 425 K CA 0.782 56.967 56.287 -0.171 0.000 0.980 425 K CB 0.164 32.550 32.500 -0.190 0.000 0.838 425 K HN 0.810 nan 8.250 nan 0.000 0.481 426 H N -0.315 118.814 119.070 0.099 0.000 2.930 426 H HA 0.372 4.928 4.556 -0.000 0.000 0.371 426 H C -0.802 174.567 175.328 0.069 0.000 1.169 426 H CA -0.360 55.710 56.048 0.037 0.000 1.157 426 H CB 2.306 32.086 29.762 0.030 0.000 1.789 426 H HN -0.200 nan 8.280 nan 0.000 0.547 427 T N 3.251 117.885 114.554 0.134 0.000 2.949 427 T HA 0.382 4.732 4.350 -0.000 0.000 0.300 427 T C -0.079 174.580 174.700 -0.069 0.000 0.988 427 T CA -0.510 61.631 62.100 0.068 0.000 0.993 427 T CB 0.780 69.693 68.868 0.075 0.000 0.984 427 T HN 0.240 nan 8.240 nan 0.000 0.442 428 I N 2.626 123.170 120.570 -0.044 0.000 2.339 428 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 428 I C 0.063 176.078 176.117 -0.171 0.000 0.994 428 I CA -0.444 60.794 61.300 -0.103 0.000 1.191 428 I CB 1.272 39.271 38.000 -0.002 0.000 1.343 428 I HN 0.633 nan 8.210 nan 0.000 0.458 429 C N 6.754 125.978 119.300 -0.126 0.000 2.293 429 C HA 0.402 4.862 4.460 -0.000 0.000 0.323 429 C C 0.415 175.330 174.990 -0.124 0.000 1.240 429 C CA -0.236 58.705 59.018 -0.128 0.000 1.497 429 C CB -0.718 26.991 27.740 -0.052 0.000 2.171 429 C HN 0.939 nan 8.230 nan 0.000 0.465 430 Q N 4.189 123.880 119.800 -0.181 0.000 2.468 430 Q HA -0.207 4.133 4.340 -0.000 0.000 0.289 430 Q C 1.191 177.132 176.000 -0.099 0.000 1.299 430 Q CA 1.131 56.850 55.803 -0.140 0.000 0.838 430 Q CB -1.382 27.300 28.738 -0.093 0.000 1.195 430 Q HN 1.752 nan 8.270 nan 0.000 0.456 431 G N -0.035 108.688 108.800 -0.128 0.000 2.320 431 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.242 431 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.242 431 G C 0.163 175.072 174.900 0.015 0.000 1.033 431 G CA 0.508 45.589 45.100 -0.032 0.000 0.620 431 G HN 0.361 nan 8.290 nan 0.000 0.517 432 K N 1.272 121.674 120.400 0.003 0.000 2.322 432 K HA 0.256 4.576 4.320 -0.000 0.000 0.283 432 K C -0.131 176.508 176.600 0.065 0.000 1.042 432 K CA -0.666 55.648 56.287 0.045 0.000 0.958 432 K CB 0.097 32.617 32.500 0.033 0.000 0.984 432 K HN 0.292 nan 8.250 nan 0.000 0.473 433 H N 4.951 124.036 119.070 0.026 0.000 3.160 433 H HA 0.034 4.590 4.556 -0.000 0.000 0.257 433 H C 0.313 175.673 175.328 0.053 0.000 1.140 433 H CA 0.202 56.274 56.048 0.040 0.000 1.492 433 H CB 0.724 30.501 29.762 0.025 0.000 1.529 433 H HN 0.427 nan 8.280 nan 0.000 0.490 434 V N 6.629 126.536 119.914 -0.012 0.000 3.431 434 V HA 0.012 4.132 4.120 -0.000 0.000 0.253 434 V C -0.486 175.676 176.094 0.113 0.000 1.184 434 V CA 0.431 62.764 62.300 0.055 0.000 1.104 434 V CB 0.004 31.844 31.823 0.028 0.000 0.799 434 V HN 0.655 nan 8.190 nan 0.000 0.462 435 Y N 0.456 120.705 120.300 -0.085 0.000 2.479 435 Y HA 0.598 5.148 4.550 -0.000 0.000 0.338 435 Y C -0.802 175.109 175.900 0.017 0.000 1.055 435 Y CA -1.004 57.060 58.100 -0.060 0.000 1.023 435 Y CB 1.475 39.852 38.460 -0.138 0.000 1.287 435 Y HN 0.105 nan 8.280 nan 0.000 0.447 436 Q N 4.549 123.926 119.800 -0.705 0.000 2.285 436 Q HA 0.274 4.614 4.340 -0.000 0.000 0.269 436 Q C -1.932 173.531 176.000 -0.895 0.000 1.030 436 Q CA -0.917 54.560 55.803 -0.542 0.000 0.788 436 Q CB 1.711 30.477 28.738 0.047 0.000 1.266 436 Q HN 0.805 nan 8.270 nan 0.000 0.438 437 D N 2.838 122.807 120.400 -0.718 0.000 2.338 437 D HA 0.194 4.834 4.640 -0.000 0.000 0.255 437 D C -0.564 175.682 176.300 -0.090 0.000 1.237 437 D CA 1.056 54.864 54.000 -0.319 0.000 0.883 437 D CB 0.149 40.865 40.800 -0.141 0.000 1.087 437 D HN 0.642 nan 8.370 nan 0.000 0.485 438 H N 0.000 118.985 119.070 -0.141 0.000 2.539 438 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 438 H CA 0.000 56.001 56.048 -0.079 0.000 1.023 438 H CB 0.000 29.728 29.762 -0.056 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496