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 3glq_1_B DATA FIRST_RESID 12 DATA SEQUENCE QDYVVADIAL AGWGRKELNI AETEMPGLVQ IRDEYKAQQP LKGARIAGSL DATA SEQUENCE HMTIQTGVLI ETLKALGADV RWASCNIFST QDHAAAAIVE AGTPVFAFKG DATA SEQUENCE ESLDEYWEFS HRIFEWPNGE FANMILDDGG DATLLLILGS KAEKDRSVIA DATA SEQUENCE RPTNEEEVAL FKSIERHLEI DGSWYSKRLA HIKGVTEETT TGVHRLYQME DATA SEQUENCE KDGRLPFPAF NVNDSVTKSK FDNLYGCRES LVDGIKRATD VMIAGKIAVV DATA SEQUENCE AGYGDVGKGC AQSLRGLGAT VWVTEIDPIC ALQAAMEGYR VVTMEYAADK DATA SEQUENCE ADIFVTATGN YHVINHDHMK AMRHNAIVCN IGHFDSEIDV ASTRQYQWEN DATA SEQUENCE IKPQVDHIIF PDGKRVILLA EGRLVNLGCA TGHPSFVMSN SFTNQTLAQI DATA SEQUENCE ELFTRGGEYA NKVYVLPKHL DEKVARLHLA RIGAQLSELS DDQAAYIGVS DATA SEQUENCE KAGPFKPDHY RY 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.769 176.000 -0.384 0.000 1.003 12 Q CA 0.000 55.582 55.803 -0.369 0.000 1.022 12 Q CB 0.000 28.415 28.738 -0.539 0.000 1.108 13 D N 3.050 123.329 120.400 -0.202 0.000 2.619 13 D HA 0.261 4.923 4.640 0.037 0.000 0.224 13 D C -1.280 174.976 176.300 -0.074 0.000 1.133 13 D CA 0.387 54.374 54.000 -0.021 0.000 1.017 13 D CB -0.201 40.625 40.800 0.044 0.000 1.077 13 D HN 0.363 nan 8.370 nan 0.000 0.503 14 Y N -1.764 118.393 120.300 -0.239 0.000 2.841 14 Y HA 0.448 5.020 4.550 0.037 0.000 0.373 14 Y C -2.071 173.611 175.900 -0.363 0.000 1.170 14 Y CA -1.438 56.217 58.100 -0.741 0.000 1.196 14 Y CB 0.550 38.681 38.460 -0.549 0.000 1.433 14 Y HN -0.197 nan 8.280 nan 0.000 0.479 15 V N 2.786 122.572 119.914 -0.213 0.000 2.532 15 V HA 0.725 4.867 4.120 0.037 0.000 0.294 15 V C -0.648 175.451 176.094 0.009 0.000 1.036 15 V CA -0.105 62.184 62.300 -0.018 0.000 0.876 15 V CB 0.999 32.814 31.823 -0.014 0.000 1.012 15 V HN 1.296 nan 8.190 nan 0.000 0.432 16 V N 1.992 121.963 119.914 0.096 0.000 3.160 16 V HA 0.971 5.113 4.120 0.037 0.000 0.310 16 V C 0.912 176.993 176.094 -0.021 0.000 1.181 16 V CA 0.114 62.453 62.300 0.065 0.000 1.047 16 V CB 1.833 33.630 31.823 -0.043 0.000 1.068 16 V HN 0.768 nan 8.190 nan 0.000 0.441 17 A N 0.396 123.211 122.820 -0.009 0.000 1.873 17 A HA 0.150 4.492 4.320 0.037 0.000 0.215 17 A C 0.889 178.443 177.584 -0.051 0.000 1.186 17 A CA 2.254 54.234 52.037 -0.095 0.000 0.616 17 A CB -0.530 18.503 19.000 0.054 0.000 0.823 17 A HN 1.323 nan 8.150 nan 0.000 0.442 18 D N -2.593 117.805 120.400 -0.004 0.000 2.300 18 D HA 0.151 4.813 4.640 0.037 0.000 0.218 18 D C 0.039 176.341 176.300 0.004 0.000 1.326 18 D CA -0.582 53.425 54.000 0.012 0.000 0.942 18 D CB 0.073 40.895 40.800 0.036 0.000 1.495 18 D HN -0.045 nan 8.370 nan 0.000 0.545 19 I N 3.446 124.008 120.570 -0.013 0.000 2.530 19 I HA -0.069 4.123 4.170 0.037 0.000 0.257 19 I C 1.904 178.008 176.117 -0.021 0.000 1.179 19 I CA 1.840 63.105 61.300 -0.058 0.000 1.440 19 I CB -0.084 37.879 38.000 -0.062 0.000 1.087 19 I HN 0.518 nan 8.210 nan 0.000 0.440 20 A N -0.424 122.406 122.820 0.016 0.000 2.168 20 A HA 0.002 4.344 4.320 0.037 0.000 0.215 20 A C 2.030 179.660 177.584 0.078 0.000 1.152 20 A CA 0.743 52.802 52.037 0.036 0.000 0.716 20 A CB -0.823 18.200 19.000 0.038 0.000 0.794 20 A HN 0.487 nan 8.150 nan 0.000 0.465 21 L N -0.978 120.304 121.223 0.097 0.000 2.610 21 L HA -0.011 4.351 4.340 0.037 0.000 0.232 21 L C 2.663 179.619 176.870 0.144 0.000 1.149 21 L CA 0.331 55.287 54.840 0.193 0.000 0.872 21 L CB -0.428 41.758 42.059 0.211 0.000 0.992 21 L HN 0.428 nan 8.230 nan 0.000 0.447 22 A N 0.885 123.735 122.820 0.051 0.000 1.877 22 A HA -0.136 4.206 4.320 0.037 0.000 0.216 22 A C 2.445 180.051 177.584 0.037 0.000 1.186 22 A CA 1.774 53.809 52.037 -0.005 0.000 0.620 22 A CB -1.112 17.860 19.000 -0.046 0.000 0.822 22 A HN 0.417 nan 8.150 nan 0.000 0.443 23 G N -1.297 107.550 108.800 0.079 0.000 2.476 23 G HA2 -0.328 3.654 3.960 0.037 0.000 0.218 23 G HA3 -0.328 3.654 3.960 0.037 0.000 0.218 23 G C 1.384 176.397 174.900 0.188 0.000 1.164 23 G CA 1.331 46.491 45.100 0.101 0.000 0.768 23 G HN 0.698 nan 8.290 nan 0.000 0.560 24 W N 2.029 123.354 121.300 0.043 0.000 2.354 24 W HA 0.050 4.731 4.660 0.035 0.000 0.315 24 W C 2.449 179.062 176.519 0.157 0.000 1.206 24 W CA 1.572 58.969 57.345 0.087 0.000 1.290 24 W CB -0.858 28.642 29.460 0.068 0.000 1.152 24 W HN 0.120 nan 8.180 nan 0.000 0.489 25 G N 0.652 109.450 108.800 -0.003 0.000 2.505 25 G HA2 -0.388 3.594 3.960 0.037 0.000 0.220 25 G HA3 -0.388 3.594 3.960 0.037 0.000 0.220 25 G C 1.623 176.436 174.900 -0.146 0.000 1.145 25 G CA 1.605 46.544 45.100 -0.269 0.000 0.761 25 G HN 0.267 nan 8.290 nan 0.000 0.571 26 R N 0.882 121.351 120.500 -0.051 0.000 2.075 26 R HA 0.064 4.426 4.340 0.037 0.000 0.232 26 R C 2.453 178.758 176.300 0.008 0.000 1.126 26 R CA 1.570 57.649 56.100 -0.035 0.000 0.963 26 R CB -0.523 29.766 30.300 -0.019 0.000 0.858 26 R HN 0.372 nan 8.270 nan 0.000 0.435 27 K N 0.136 120.580 120.400 0.073 0.000 2.063 27 K HA -0.141 4.201 4.320 0.037 0.000 0.208 27 K C 1.999 178.651 176.600 0.088 0.000 1.048 27 K CA 1.883 58.230 56.287 0.098 0.000 0.928 27 K CB -0.077 32.520 32.500 0.163 0.000 0.713 27 K HN 0.354 nan 8.250 nan 0.000 0.442 28 E N 0.604 120.858 120.200 0.089 0.000 2.158 28 E HA -0.088 4.284 4.350 0.037 0.000 0.191 28 E C 2.041 178.636 176.600 -0.008 0.000 0.982 28 E CA 0.473 56.908 56.400 0.060 0.000 0.823 28 E CB 0.045 29.786 29.700 0.067 0.000 0.766 28 E HN 0.221 nan 8.360 nan 0.000 0.468 29 L N 1.358 122.548 121.223 -0.055 0.000 2.046 29 L HA -0.209 4.153 4.340 0.037 0.000 0.208 29 L C 2.056 178.913 176.870 -0.022 0.000 1.077 29 L CA 0.768 55.572 54.840 -0.061 0.000 0.747 29 L CB -0.411 41.590 42.059 -0.097 0.000 0.896 29 L HN 0.119 nan 8.230 nan 0.000 0.432 30 N N 0.405 119.102 118.700 -0.006 0.000 2.069 30 N HA -0.192 4.570 4.740 0.037 0.000 0.191 30 N C 1.856 177.377 175.510 0.019 0.000 1.031 30 N CA 1.577 54.630 53.050 0.006 0.000 0.852 30 N CB -0.352 38.145 38.487 0.015 0.000 1.018 30 N HN 0.307 nan 8.380 nan 0.000 0.423 31 I N 1.058 121.647 120.570 0.032 0.000 2.179 31 I HA -0.219 3.973 4.170 0.037 0.000 0.242 31 I C 2.297 178.440 176.117 0.044 0.000 1.088 31 I CA 1.097 62.422 61.300 0.042 0.000 1.357 31 I CB -0.343 37.691 38.000 0.057 0.000 1.051 31 I HN 0.060 nan 8.210 nan 0.000 0.409 32 A N 0.397 123.240 122.820 0.037 0.000 1.978 32 A HA -0.253 4.089 4.320 0.037 0.000 0.220 32 A C 2.177 179.792 177.584 0.051 0.000 1.170 32 A CA 1.844 53.909 52.037 0.046 0.000 0.636 32 A CB -0.639 18.377 19.000 0.026 0.000 0.810 32 A HN 0.484 nan 8.150 nan 0.000 0.448 33 E N -0.602 119.617 120.200 0.032 0.000 2.085 33 E HA -0.172 4.200 4.350 0.037 0.000 0.194 33 E C 2.164 178.791 176.600 0.045 0.000 0.994 33 E CA 1.752 58.170 56.400 0.030 0.000 0.801 33 E CB -0.396 29.311 29.700 0.011 0.000 0.743 33 E HN 0.859 nan 8.360 nan 0.000 0.453 34 T N -0.801 113.781 114.554 0.047 0.000 3.007 34 T HA -0.067 4.305 4.350 0.037 0.000 0.270 34 T C 1.432 176.187 174.700 0.092 0.000 1.107 34 T CA 0.732 62.865 62.100 0.055 0.000 1.118 34 T CB 0.095 68.988 68.868 0.042 0.000 0.889 34 T HN -0.041 nan 8.240 nan 0.000 0.506 35 E N 0.395 120.665 120.200 0.117 0.000 2.481 35 E HA 0.280 4.652 4.350 0.037 0.000 0.198 35 E C 0.369 177.122 176.600 0.255 0.000 1.027 35 E CA 0.145 56.668 56.400 0.205 0.000 0.900 35 E CB 0.339 30.146 29.700 0.179 0.000 0.993 35 E HN 0.649 nan 8.360 nan 0.000 0.482 36 M N 1.371 121.060 119.600 0.149 0.000 2.952 36 M HA 0.180 4.682 4.480 0.037 0.000 0.259 36 M C -1.958 174.370 176.300 0.047 0.000 1.306 36 M CA -1.372 53.992 55.300 0.105 0.000 0.626 36 M CB 1.524 34.174 32.600 0.084 0.000 1.423 36 M HN -0.225 nan 8.290 nan 0.000 0.459 37 P HA -0.091 nan 4.420 nan 0.000 0.220 37 P C 1.423 178.579 177.300 -0.240 0.000 1.148 37 P CA 1.451 64.493 63.100 -0.097 0.000 0.803 37 P CB 0.125 31.775 31.700 -0.084 0.000 0.782 38 G N 0.790 109.328 108.800 -0.437 0.000 2.421 38 G HA2 -0.204 3.778 3.960 0.037 0.000 0.216 38 G HA3 -0.204 3.778 3.960 0.037 0.000 0.216 38 G C 1.691 176.556 174.900 -0.059 0.000 1.171 38 G CA 0.496 45.404 45.100 -0.320 0.000 0.775 38 G HN 0.224 nan 8.290 nan 0.000 0.543 39 L N 0.077 121.306 121.223 0.010 0.000 2.056 39 L HA -0.058 4.304 4.340 0.037 0.000 0.207 39 L C 3.012 179.885 176.870 0.005 0.000 1.078 39 L CA 0.453 55.309 54.840 0.027 0.000 0.749 39 L CB -0.485 41.606 42.059 0.053 0.000 0.901 39 L HN 0.094 nan 8.230 nan 0.000 0.433 40 V N -0.375 119.535 119.914 -0.006 0.000 2.343 40 V HA -0.297 3.845 4.120 0.037 0.000 0.247 40 V C 2.421 178.512 176.094 -0.005 0.000 1.051 40 V CA 1.693 63.990 62.300 -0.005 0.000 1.036 40 V CB -0.441 31.379 31.823 -0.005 0.000 0.654 40 V HN 0.493 nan 8.190 nan 0.000 0.451 41 Q N -0.981 118.806 119.800 -0.022 0.000 2.123 41 Q HA -0.094 4.268 4.340 0.037 0.000 0.199 41 Q C 2.293 178.309 176.000 0.027 0.000 0.966 41 Q CA 1.163 56.958 55.803 -0.013 0.000 0.845 41 Q CB -0.075 28.637 28.738 -0.044 0.000 0.907 41 Q HN 0.466 nan 8.270 nan 0.000 0.439 42 I N 0.719 121.318 120.570 0.048 0.000 2.315 42 I HA -0.242 3.950 4.170 0.037 0.000 0.248 42 I C 2.151 178.356 176.117 0.147 0.000 1.117 42 I CA 1.366 62.746 61.300 0.135 0.000 1.404 42 I CB -0.638 37.418 38.000 0.092 0.000 1.071 42 I HN 0.229 nan 8.210 nan 0.000 0.419 43 R N 0.690 121.230 120.500 0.067 0.000 2.094 43 R HA -0.215 4.147 4.340 0.037 0.000 0.239 43 R C 1.908 178.250 176.300 0.070 0.000 1.137 43 R CA 2.010 58.143 56.100 0.054 0.000 0.943 43 R CB -0.302 30.008 30.300 0.017 0.000 0.850 43 R HN 0.355 nan 8.270 nan 0.000 0.433 44 D N -0.111 120.314 120.400 0.043 0.000 2.144 44 D HA -0.163 4.499 4.640 0.037 0.000 0.200 44 D C 1.700 178.007 176.300 0.012 0.000 0.978 44 D CA 0.976 54.989 54.000 0.021 0.000 0.833 44 D CB -0.210 40.593 40.800 0.004 0.000 0.961 44 D HN 0.359 nan 8.370 nan 0.000 0.470 45 E N -0.878 119.330 120.200 0.013 0.000 2.153 45 E HA -0.191 4.181 4.350 0.037 0.000 0.194 45 E C 0.904 177.408 176.600 -0.160 0.000 0.988 45 E CA 0.954 57.297 56.400 -0.095 0.000 0.811 45 E CB 0.070 29.684 29.700 -0.145 0.000 0.746 45 E HN 0.351 nan 8.360 nan 0.000 0.466 46 Y N -0.340 119.957 120.300 -0.005 0.000 2.453 46 Y HA 0.154 4.725 4.550 0.036 0.000 0.247 46 Y C 1.797 177.696 175.900 -0.002 0.000 1.124 46 Y CA 0.027 58.127 58.100 -0.000 0.000 1.243 46 Y CB 0.559 39.018 38.460 -0.002 0.000 1.213 46 Y HN -0.003 nan 8.280 nan 0.000 0.523 47 K N 0.182 120.654 120.400 0.121 0.000 2.097 47 K HA -0.120 4.222 4.320 0.037 0.000 0.206 47 K C 2.077 178.709 176.600 0.053 0.000 1.049 47 K CA 1.447 57.776 56.287 0.070 0.000 0.933 47 K CB -0.463 32.060 32.500 0.039 0.000 0.717 47 K HN 0.125 nan 8.250 nan 0.000 0.442 48 A N 1.754 124.596 122.820 0.038 0.000 1.908 48 A HA -0.256 4.086 4.320 0.037 0.000 0.218 48 A C 2.256 179.865 177.584 0.041 0.000 1.181 48 A CA 1.849 53.902 52.037 0.026 0.000 0.627 48 A CB -0.723 18.282 19.000 0.007 0.000 0.818 48 A HN 0.619 nan 8.150 nan 0.000 0.445 49 Q N -1.663 118.176 119.800 0.064 0.000 2.230 49 Q HA -0.137 4.225 4.340 0.037 0.000 0.202 49 Q C -0.186 175.871 176.000 0.094 0.000 0.963 49 Q CA 0.750 56.605 55.803 0.087 0.000 0.866 49 Q CB 0.007 28.825 28.738 0.134 0.000 0.931 49 Q HN 0.559 nan 8.270 nan 0.000 0.452 50 Q N -0.322 119.532 119.800 0.089 0.000 2.439 50 Q HA -0.181 4.181 4.340 0.037 0.000 0.325 50 Q C -1.808 174.237 176.000 0.074 0.000 1.372 50 Q CA 1.016 56.857 55.803 0.063 0.000 0.909 50 Q CB -1.029 27.735 28.738 0.043 0.000 1.167 50 Q HN 0.543 nan 8.270 nan 0.000 0.418 51 P HA -0.153 nan 4.420 nan 0.000 0.221 51 P C 1.051 178.402 177.300 0.085 0.000 1.145 51 P CA 1.028 64.199 63.100 0.119 0.000 0.795 51 P CB 0.111 31.865 31.700 0.090 0.000 0.775 52 L N -1.109 120.069 121.223 -0.073 0.000 2.653 52 L HA 0.210 4.572 4.340 0.037 0.000 0.231 52 L C 1.240 177.903 176.870 -0.346 0.000 1.153 52 L CA -0.411 54.226 54.840 -0.338 0.000 0.933 52 L CB -0.385 41.484 42.059 -0.317 0.000 1.175 52 L HN -0.106 nan 8.230 nan 0.000 0.473 53 K N 1.112 121.454 120.400 -0.096 0.000 2.436 53 K HA 0.179 4.521 4.320 0.037 0.000 0.282 53 K C 1.184 177.802 176.600 0.030 0.000 1.044 53 K CA 1.007 57.278 56.287 -0.027 0.000 1.028 53 K CB 0.265 32.793 32.500 0.047 0.000 0.919 53 K HN 0.248 nan 8.250 nan 0.000 0.474 54 G N 2.092 110.884 108.800 -0.013 0.000 2.199 54 G HA2 -0.290 3.692 3.960 0.037 0.000 0.254 54 G HA3 -0.290 3.692 3.960 0.037 0.000 0.254 54 G C 0.062 174.942 174.900 -0.033 0.000 0.982 54 G CA 0.041 45.193 45.100 0.087 0.000 0.632 54 G HN 0.900 nan 8.290 nan 0.000 0.529 55 A N 0.244 122.709 122.820 -0.592 0.000 2.366 55 A HA 0.762 5.104 4.320 0.037 0.000 0.272 55 A C 0.584 177.969 177.584 -0.332 0.000 1.135 55 A CA 0.065 51.647 52.037 -0.759 0.000 0.804 55 A CB 0.329 18.601 19.000 -1.215 0.000 1.064 55 A HN 0.457 nan 8.150 nan 0.000 0.499 56 R N 2.376 122.693 120.500 -0.305 0.000 2.358 56 R HA 0.419 4.781 4.340 0.037 0.000 0.309 56 R C -1.364 174.764 176.300 -0.287 0.000 1.026 56 R CA -0.097 55.714 56.100 -0.481 0.000 0.909 56 R CB 1.242 30.863 30.300 -1.132 0.000 1.153 56 R HN 0.716 nan 8.270 nan 0.000 0.515 57 I N 2.348 122.976 120.570 0.097 0.000 2.321 57 I HA 0.319 4.511 4.170 0.037 0.000 0.291 57 I C 0.306 176.574 176.117 0.251 0.000 0.998 57 I CA -0.524 60.842 61.300 0.109 0.000 1.227 57 I CB 1.805 39.851 38.000 0.077 0.000 1.368 57 I HN 0.542 nan 8.210 nan 0.000 0.466 58 A N 5.457 128.321 122.820 0.074 0.000 2.269 58 A HA 0.679 5.021 4.320 0.037 0.000 0.302 58 A C 0.343 177.663 177.584 -0.441 0.000 1.266 58 A CA -0.337 51.581 52.037 -0.197 0.000 0.894 58 A CB 0.178 18.801 19.000 -0.628 0.000 1.147 58 A HN 0.829 nan 8.150 nan 0.000 0.537 59 G N 0.803 109.146 108.800 -0.761 0.000 2.372 59 G HA2 0.483 4.465 3.960 0.037 0.000 0.323 59 G HA3 0.483 4.465 3.960 0.037 0.000 0.323 59 G C -0.369 173.679 174.900 -1.421 0.000 1.152 59 G CA -0.217 43.959 45.100 -1.540 0.000 0.906 59 G HN 0.788 nan 8.290 nan 0.000 0.460 60 S N 2.125 117.293 115.700 -0.885 0.000 2.667 60 S HA 0.681 5.173 4.470 0.037 0.000 0.304 60 S C -0.803 173.589 174.600 -0.346 0.000 1.135 60 S CA -0.639 57.237 58.200 -0.541 0.000 1.125 60 S CB -0.134 62.896 63.200 -0.283 0.000 0.996 60 S HN 0.631 nan 8.310 nan 0.000 0.474 61 L N 4.947 126.052 121.223 -0.197 0.000 2.666 61 L HA 0.364 4.726 4.340 0.037 0.000 0.259 61 L C -0.892 176.100 176.870 0.204 0.000 0.919 61 L CA -0.782 54.068 54.840 0.017 0.000 0.927 61 L CB 1.206 43.406 42.059 0.234 0.000 1.423 61 L HN 0.710 nan 8.230 nan 0.000 0.426 62 H N 4.431 123.647 119.070 0.244 0.000 3.150 62 H HA -0.168 4.410 4.556 0.038 0.000 0.250 62 H C 0.296 175.742 175.328 0.197 0.000 0.796 62 H CA 0.448 56.613 56.048 0.195 0.000 1.449 62 H CB 0.105 29.953 29.762 0.142 0.000 1.353 62 H HN 0.438 nan 8.280 nan 0.000 0.499 63 M N 4.509 124.262 119.600 0.256 0.000 3.436 63 M HA 0.048 4.550 4.480 0.037 0.000 0.240 63 M C 0.077 176.393 176.300 0.027 0.000 1.469 63 M CA -0.336 55.032 55.300 0.113 0.000 1.622 63 M CB -0.773 31.895 32.600 0.113 0.000 1.098 63 M HN 0.613 nan 8.290 nan 0.000 0.568 64 T N -1.538 113.035 114.554 0.032 0.000 2.923 64 T HA 0.412 4.784 4.350 0.037 0.000 0.281 64 T C 1.472 176.106 174.700 -0.110 0.000 0.995 64 T CA -0.996 61.094 62.100 -0.017 0.000 0.985 64 T CB 0.874 69.777 68.868 0.057 0.000 1.114 64 T HN 0.310 nan 8.240 nan 0.000 0.548 65 I N 0.602 121.078 120.570 -0.158 0.000 2.248 65 I HA -0.189 4.003 4.170 0.037 0.000 0.248 65 I C 2.549 178.623 176.117 -0.072 0.000 1.107 65 I CA 1.701 62.891 61.300 -0.184 0.000 1.373 65 I CB -1.201 36.694 38.000 -0.175 0.000 1.055 65 I HN 0.680 nan 8.210 nan 0.000 0.418 66 Q N 0.007 119.825 119.800 0.029 0.000 2.079 66 Q HA -0.108 4.254 4.340 0.037 0.000 0.200 66 Q C 2.233 178.404 176.000 0.285 0.000 0.974 66 Q CA 1.805 57.703 55.803 0.157 0.000 0.840 66 Q CB -0.703 28.128 28.738 0.154 0.000 0.898 66 Q HN 0.384 nan 8.270 nan 0.000 0.430 67 T N -0.256 114.412 114.554 0.190 0.000 2.915 67 T HA -0.090 4.282 4.350 0.037 0.000 0.269 67 T C 1.708 176.165 174.700 -0.406 0.000 1.071 67 T CA 1.170 63.177 62.100 -0.155 0.000 1.132 67 T CB -0.520 68.269 68.868 -0.133 0.000 0.878 67 T HN 0.555 nan 8.240 nan 0.000 0.479 68 G N 0.960 109.583 108.800 -0.295 0.000 2.408 68 G HA2 -0.141 3.841 3.960 0.037 0.000 0.217 68 G HA3 -0.141 3.841 3.960 0.037 0.000 0.217 68 G C 1.647 176.389 174.900 -0.264 0.000 1.150 68 G CA 0.691 45.589 45.100 -0.337 0.000 0.776 68 G HN 0.448 nan 8.290 nan 0.000 0.542 69 V N 0.799 120.621 119.914 -0.153 0.000 2.427 69 V HA -0.111 4.031 4.120 0.037 0.000 0.248 69 V C 2.633 178.652 176.094 -0.124 0.000 1.051 69 V CA 1.483 63.725 62.300 -0.096 0.000 1.048 69 V CB -0.406 31.411 31.823 -0.010 0.000 0.666 69 V HN 0.365 nan 8.190 nan 0.000 0.456 70 L N 0.309 121.422 121.223 -0.183 0.000 1.994 70 L HA -0.145 4.217 4.340 0.037 0.000 0.208 70 L C 2.216 178.883 176.870 -0.338 0.000 1.071 70 L CA 1.959 56.620 54.840 -0.297 0.000 0.745 70 L CB -0.571 41.088 42.059 -0.666 0.000 0.892 70 L HN 0.199 nan 8.230 nan 0.000 0.431 71 I N -0.184 120.084 120.570 -0.503 0.000 2.151 71 I HA -0.329 3.863 4.170 0.037 0.000 0.243 71 I C 2.327 178.283 176.117 -0.270 0.000 1.080 71 I CA 1.856 62.861 61.300 -0.491 0.000 1.339 71 I CB -0.399 37.199 38.000 -0.670 0.000 1.039 71 I HN 0.409 nan 8.210 nan 0.000 0.409 72 E N -0.310 119.751 120.200 -0.232 0.000 2.358 72 E HA -0.108 4.264 4.350 0.037 0.000 0.195 72 E C 2.001 178.534 176.600 -0.112 0.000 1.010 72 E CA 1.137 57.445 56.400 -0.153 0.000 0.856 72 E CB -0.033 29.584 29.700 -0.137 0.000 0.795 72 E HN 0.513 nan 8.360 nan 0.000 0.504 73 T N 1.664 116.149 114.554 -0.115 0.000 2.770 73 T HA -0.069 4.303 4.350 0.037 0.000 0.263 73 T C 2.015 176.664 174.700 -0.086 0.000 1.039 73 T CA 0.647 62.698 62.100 -0.081 0.000 1.142 73 T CB -0.153 68.673 68.868 -0.070 0.000 0.868 73 T HN 0.091 nan 8.240 nan 0.000 0.435 74 L N 0.578 121.737 121.223 -0.107 0.000 2.043 74 L HA -0.171 4.191 4.340 0.037 0.000 0.212 74 L C 2.625 179.445 176.870 -0.083 0.000 1.075 74 L CA 1.563 56.345 54.840 -0.096 0.000 0.752 74 L CB -0.540 41.475 42.059 -0.073 0.000 0.891 74 L HN 0.225 nan 8.230 nan 0.000 0.432 75 K N -0.030 120.322 120.400 -0.079 0.000 2.097 75 K HA -0.069 4.273 4.320 0.037 0.000 0.205 75 K C 2.246 178.816 176.600 -0.051 0.000 1.050 75 K CA 1.142 57.392 56.287 -0.061 0.000 0.938 75 K CB -0.251 32.209 32.500 -0.065 0.000 0.718 75 K HN 0.270 nan 8.250 nan 0.000 0.442 76 A N 1.141 123.931 122.820 -0.050 0.000 2.024 76 A HA -0.109 4.233 4.320 0.037 0.000 0.220 76 A C 1.847 179.419 177.584 -0.020 0.000 1.164 76 A CA 1.206 53.224 52.037 -0.031 0.000 0.643 76 A CB -0.445 18.539 19.000 -0.026 0.000 0.806 76 A HN 0.188 nan 8.150 nan 0.000 0.451 77 L N -1.899 119.303 121.223 -0.034 0.000 2.592 77 L HA 0.228 4.590 4.340 0.037 0.000 0.227 77 L C 1.593 178.437 176.870 -0.044 0.000 1.127 77 L CA 0.610 55.433 54.840 -0.028 0.000 0.884 77 L CB 0.007 42.029 42.059 -0.061 0.000 1.065 77 L HN 0.592 nan 8.230 nan 0.000 0.457 78 G N -0.302 108.466 108.800 -0.053 0.000 2.192 78 G HA2 -0.181 3.801 3.960 0.037 0.000 0.193 78 G HA3 -0.181 3.801 3.960 0.037 0.000 0.193 78 G C 0.375 175.223 174.900 -0.087 0.000 0.999 78 G CA -0.155 44.913 45.100 -0.054 0.000 0.659 78 G HN 0.393 nan 8.290 nan 0.000 0.503 79 A N 0.104 122.859 122.820 -0.109 0.000 2.407 79 A HA 0.553 4.895 4.320 0.037 0.000 0.248 79 A C 0.098 177.669 177.584 -0.023 0.000 1.082 79 A CA 0.661 52.628 52.037 -0.118 0.000 0.785 79 A CB 0.520 19.446 19.000 -0.123 0.000 1.020 79 A HN 0.362 nan 8.150 nan 0.000 0.489 80 D N 0.501 120.920 120.400 0.033 0.000 2.175 80 D HA 0.549 5.211 4.640 0.037 0.000 0.248 80 D C -0.974 175.516 176.300 0.318 0.000 1.047 80 D CA 0.018 54.119 54.000 0.168 0.000 0.883 80 D CB 1.429 42.376 40.800 0.246 0.000 1.180 80 D HN 0.182 nan 8.370 nan 0.000 0.438 81 V N 4.196 124.263 119.914 0.255 0.000 2.760 81 V HA 0.536 4.678 4.120 0.037 0.000 0.309 81 V C -0.205 175.905 176.094 0.027 0.000 1.077 81 V CA -0.820 61.633 62.300 0.256 0.000 0.910 81 V CB 2.141 34.071 31.823 0.179 0.000 1.008 81 V HN 0.490 nan 8.190 nan 0.000 0.424 82 R N 2.945 123.421 120.500 -0.040 0.000 2.670 82 R HA 0.538 4.900 4.340 0.037 0.000 0.289 82 R C -1.681 174.655 176.300 0.060 0.000 0.965 82 R CA -0.601 55.399 56.100 -0.166 0.000 0.899 82 R CB 2.591 32.513 30.300 -0.629 0.000 1.173 82 R HN 0.699 nan 8.270 nan 0.000 0.456 83 W N 1.542 122.787 121.300 -0.092 0.000 2.998 83 W HA 0.646 5.327 4.660 0.036 0.000 0.335 83 W C -1.441 175.073 176.519 -0.008 0.000 1.110 83 W CA -0.383 56.914 57.345 -0.081 0.000 1.230 83 W CB 2.260 31.648 29.460 -0.120 0.000 1.405 83 W HN 0.683 nan 8.180 nan 0.000 0.493 84 A N 2.304 125.048 122.820 -0.127 0.000 2.435 84 A HA 0.666 5.008 4.320 0.037 0.000 0.296 84 A C -0.844 176.742 177.584 0.004 0.000 1.147 84 A CA -0.488 51.550 52.037 0.000 0.000 0.775 84 A CB 1.818 20.762 19.000 -0.093 0.000 1.340 84 A HN 0.385 nan 8.150 nan 0.000 0.427 85 S N -1.160 114.588 115.700 0.080 0.000 2.610 85 S HA 0.302 4.794 4.470 0.037 0.000 0.273 85 S C 0.897 175.524 174.600 0.044 0.000 1.274 85 S CA -0.036 58.232 58.200 0.112 0.000 1.023 85 S CB 0.454 63.765 63.200 0.184 0.000 0.962 85 S HN 1.513 nan 8.310 nan 0.000 0.523 86 C N 3.311 122.617 119.300 0.009 0.000 2.693 86 C HA 0.522 5.004 4.460 0.037 0.000 0.286 86 C C 0.393 175.477 174.990 0.156 0.000 1.277 86 C CA -0.910 58.159 59.018 0.085 0.000 1.705 86 C CB -2.078 25.619 27.740 -0.072 0.000 1.879 86 C HN 0.718 nan 8.230 nan 0.000 0.607 87 N N 0.739 119.564 118.700 0.208 0.000 2.367 87 N HA 0.295 5.057 4.740 0.037 0.000 0.278 87 N C 0.527 176.044 175.510 0.011 0.000 1.117 87 N CA -0.385 52.689 53.050 0.040 0.000 0.867 87 N CB 1.607 40.172 38.487 0.131 0.000 1.649 87 N HN 0.356 nan 8.380 nan 0.000 0.479 88 I N -1.045 119.367 120.570 -0.265 0.000 2.756 88 I HA 0.054 4.246 4.170 0.037 0.000 0.262 88 I C 0.205 176.163 176.117 -0.265 0.000 1.225 88 I CA 1.082 62.172 61.300 -0.351 0.000 1.472 88 I CB -0.215 37.385 38.000 -0.667 0.000 1.094 88 I HN 0.196 nan 8.210 nan 0.000 0.454 89 F N 1.202 121.163 119.950 0.019 0.000 2.682 89 F HA 0.221 4.770 4.527 0.036 0.000 0.308 89 F C 2.342 178.172 175.800 0.049 0.000 1.093 89 F CA -0.165 57.854 58.000 0.033 0.000 1.244 89 F CB -0.205 38.807 39.000 0.020 0.000 1.052 89 F HN 0.138 nan 8.300 nan 0.000 0.573 90 S N -2.066 113.771 115.700 0.229 0.000 2.524 90 S HA 0.053 4.545 4.470 0.037 0.000 0.216 90 S C 0.931 175.631 174.600 0.167 0.000 0.987 90 S CA -0.002 58.300 58.200 0.170 0.000 0.909 90 S CB -0.769 62.559 63.200 0.214 0.000 0.781 90 S HN 0.061 nan 8.310 nan 0.000 0.521 91 T N 3.564 118.227 114.554 0.181 0.000 2.916 91 T HA 0.147 4.519 4.350 0.037 0.000 0.303 91 T C -0.259 174.515 174.700 0.123 0.000 1.025 91 T CA 0.183 62.373 62.100 0.150 0.000 1.142 91 T CB 0.565 69.528 68.868 0.158 0.000 0.947 91 T HN 0.426 nan 8.240 nan 0.000 0.544 92 Q N 2.643 122.482 119.800 0.065 0.000 2.368 92 Q HA 0.170 4.532 4.340 0.037 0.000 0.256 92 Q C 0.233 176.244 176.000 0.020 0.000 0.980 92 Q CA -0.735 55.103 55.803 0.059 0.000 0.887 92 Q CB 1.197 29.929 28.738 -0.010 0.000 1.221 92 Q HN 0.556 nan 8.270 nan 0.000 0.458 93 D N 1.443 121.910 120.400 0.111 0.000 2.149 93 D HA -0.196 4.466 4.640 0.037 0.000 0.198 93 D C 1.753 178.056 176.300 0.005 0.000 0.990 93 D CA 1.419 55.470 54.000 0.084 0.000 0.839 93 D CB 0.139 41.023 40.800 0.140 0.000 0.948 93 D HN 0.662 nan 8.370 nan 0.000 0.460 94 H N 0.367 119.274 119.070 -0.272 0.000 2.423 94 H HA 0.170 4.748 4.556 0.036 0.000 0.297 94 H C 1.842 176.967 175.328 -0.339 0.000 1.075 94 H CA 1.290 57.109 56.048 -0.382 0.000 1.342 94 H CB -0.623 28.588 29.762 -0.917 0.000 1.395 94 H HN 0.047 nan 8.280 nan 0.000 0.530 95 A N 2.125 124.481 122.820 -0.774 0.000 1.858 95 A HA -0.012 4.330 4.320 0.037 0.000 0.216 95 A C 2.873 180.262 177.584 -0.324 0.000 1.190 95 A CA 2.266 53.974 52.037 -0.549 0.000 0.617 95 A CB -1.278 17.443 19.000 -0.465 0.000 0.827 95 A HN 0.605 nan 8.150 nan 0.000 0.443 96 A N -0.135 122.546 122.820 -0.232 0.000 1.892 96 A HA 0.039 4.381 4.320 0.037 0.000 0.218 96 A C 2.525 179.975 177.584 -0.223 0.000 1.188 96 A CA 2.596 54.521 52.037 -0.188 0.000 0.631 96 A CB -1.121 17.822 19.000 -0.095 0.000 0.822 96 A HN 1.157 nan 8.150 nan 0.000 0.447 97 A N -0.400 122.304 122.820 -0.193 0.000 1.902 97 A HA 0.183 4.525 4.320 0.037 0.000 0.217 97 A C 2.519 179.974 177.584 -0.216 0.000 1.181 97 A CA 2.115 54.033 52.037 -0.199 0.000 0.623 97 A CB -1.030 17.905 19.000 -0.108 0.000 0.818 97 A HN 1.127 nan 8.150 nan 0.000 0.443 98 A N -0.278 122.422 122.820 -0.200 0.000 1.933 98 A HA -0.033 4.309 4.320 0.037 0.000 0.218 98 A C 1.985 179.447 177.584 -0.203 0.000 1.175 98 A CA 1.590 53.519 52.037 -0.181 0.000 0.628 98 A CB -0.417 18.474 19.000 -0.181 0.000 0.814 98 A HN 0.402 nan 8.150 nan 0.000 0.444 99 I N -0.262 120.164 120.570 -0.240 0.000 2.286 99 I HA -0.129 4.063 4.170 0.037 0.000 0.245 99 I C 2.510 178.474 176.117 -0.254 0.000 1.104 99 I CA 0.932 62.084 61.300 -0.247 0.000 1.397 99 I CB -1.243 36.585 38.000 -0.287 0.000 1.072 99 I HN 0.126 nan 8.210 nan 0.000 0.417 100 V N 0.790 120.516 119.914 -0.313 0.000 2.287 100 V HA -0.288 3.854 4.120 0.037 0.000 0.248 100 V C 2.546 178.442 176.094 -0.330 0.000 1.053 100 V CA 1.939 63.997 62.300 -0.403 0.000 1.027 100 V CB -0.667 30.745 31.823 -0.684 0.000 0.646 100 V HN 0.429 nan 8.190 nan 0.000 0.447 101 E N -0.005 120.027 120.200 -0.280 0.000 2.160 101 E HA -0.218 4.154 4.350 0.037 0.000 0.195 101 E C 2.001 178.518 176.600 -0.138 0.000 0.991 101 E CA 1.279 57.566 56.400 -0.188 0.000 0.810 101 E CB -0.175 29.439 29.700 -0.142 0.000 0.742 101 E HN 0.600 nan 8.360 nan 0.000 0.466 102 A N -0.498 122.236 122.820 -0.143 0.000 2.238 102 A HA 0.234 4.576 4.320 0.037 0.000 0.208 102 A C 1.445 178.966 177.584 -0.104 0.000 1.177 102 A CA 0.914 52.884 52.037 -0.112 0.000 0.804 102 A CB -0.019 18.912 19.000 -0.116 0.000 0.823 102 A HN 0.411 nan 8.150 nan 0.000 0.482 103 G N -2.137 106.591 108.800 -0.119 0.000 2.159 103 G HA2 -0.129 3.853 3.960 0.037 0.000 0.170 103 G HA3 -0.129 3.853 3.960 0.037 0.000 0.170 103 G C 0.131 174.972 174.900 -0.099 0.000 1.007 103 G CA 0.075 45.120 45.100 -0.092 0.000 0.672 103 G HN 0.500 nan 8.290 nan 0.000 0.507 104 T N 2.433 116.903 114.554 -0.141 0.000 2.794 104 T HA 0.578 4.950 4.350 0.037 0.000 0.280 104 T C -2.704 171.889 174.700 -0.177 0.000 0.987 104 T CA -1.128 60.889 62.100 -0.138 0.000 0.993 104 T CB 2.449 71.229 68.868 -0.146 0.000 0.939 104 T HN -0.013 nan 8.240 nan 0.000 0.449 105 P HA 0.291 nan 4.420 nan 0.000 0.271 105 P C -1.081 176.012 177.300 -0.344 0.000 1.233 105 P CA -0.215 62.727 63.100 -0.263 0.000 0.764 105 P CB 0.457 32.076 31.700 -0.136 0.000 0.825 106 V N 5.315 124.885 119.914 -0.573 0.000 2.540 106 V HA 0.416 4.558 4.120 0.037 0.000 0.302 106 V C -0.459 175.132 176.094 -0.839 0.000 1.035 106 V CA -0.357 61.680 62.300 -0.438 0.000 0.873 106 V CB 1.369 33.037 31.823 -0.259 0.000 0.992 106 V HN 0.303 nan 8.190 nan 0.000 0.428 107 F N 3.485 123.320 119.950 -0.191 0.000 2.366 107 F HA 0.806 5.355 4.527 0.036 0.000 0.357 107 F C 0.379 175.922 175.800 -0.429 0.000 1.107 107 F CA -0.394 57.267 58.000 -0.564 0.000 1.208 107 F CB 1.421 40.047 39.000 -0.623 0.000 1.464 107 F HN 0.564 nan 8.300 nan 0.000 0.501 108 A N 3.455 126.204 122.820 -0.118 0.000 2.500 108 A HA 0.753 5.095 4.320 0.037 0.000 0.291 108 A C -1.505 176.236 177.584 0.261 0.000 1.048 108 A CA -0.608 51.498 52.037 0.116 0.000 0.791 108 A CB 0.609 19.680 19.000 0.119 0.000 1.309 108 A HN 0.571 nan 8.150 nan 0.000 0.397 109 F N 0.126 120.194 119.950 0.196 0.000 2.626 109 F HA 0.725 5.274 4.527 0.037 0.000 0.311 109 F C -0.362 175.558 175.800 0.200 0.000 1.088 109 F CA -1.099 57.002 58.000 0.168 0.000 0.949 109 F CB 1.607 40.701 39.000 0.157 0.000 1.322 109 F HN 0.468 nan 8.300 nan 0.000 0.461 110 K N 1.462 122.070 120.400 0.346 0.000 2.402 110 K HA 0.442 4.784 4.320 0.037 0.000 0.285 110 K C 0.750 177.564 176.600 0.356 0.000 1.054 110 K CA 1.043 57.507 56.287 0.294 0.000 1.001 110 K CB 0.048 32.708 32.500 0.266 0.000 0.946 110 K HN 1.280 nan 8.250 nan 0.000 0.473 111 G N 3.021 112.002 108.800 0.301 0.000 2.134 111 G HA2 -0.235 3.747 3.960 0.037 0.000 0.209 111 G HA3 -0.235 3.747 3.960 0.037 0.000 0.209 111 G C -0.129 174.805 174.900 0.057 0.000 0.993 111 G CA 0.240 45.552 45.100 0.353 0.000 0.669 111 G HN 0.758 nan 8.290 nan 0.000 0.519 112 E N 0.808 120.754 120.200 -0.425 0.000 2.409 112 E HA 0.507 4.879 4.350 0.037 0.000 0.257 112 E C 0.874 177.321 176.600 -0.255 0.000 1.150 112 E CA 0.124 56.126 56.400 -0.664 0.000 0.942 112 E CB 0.690 29.776 29.700 -1.023 0.000 0.979 112 E HN 0.695 nan 8.360 nan 0.000 0.447 113 S N 1.607 117.223 115.700 -0.141 0.000 2.655 113 S HA 0.142 4.634 4.470 0.037 0.000 0.265 113 S C 1.336 175.861 174.600 -0.125 0.000 1.240 113 S CA -0.830 57.315 58.200 -0.092 0.000 0.986 113 S CB 0.662 63.852 63.200 -0.016 0.000 0.985 113 S HN 0.626 nan 8.310 nan 0.000 0.562 114 L N 0.234 121.410 121.223 -0.079 0.000 2.083 114 L HA -0.110 4.252 4.340 0.037 0.000 0.209 114 L C 2.045 178.983 176.870 0.113 0.000 1.083 114 L CA 1.399 56.230 54.840 -0.015 0.000 0.752 114 L CB -0.697 41.375 42.059 0.022 0.000 0.899 114 L HN 0.674 nan 8.230 nan 0.000 0.433 115 D N 0.037 120.474 120.400 0.061 0.000 2.144 115 D HA -0.164 4.498 4.640 0.037 0.000 0.200 115 D C 2.076 178.349 176.300 -0.045 0.000 0.978 115 D CA 1.091 55.134 54.000 0.071 0.000 0.833 115 D CB 0.033 40.849 40.800 0.027 0.000 0.961 115 D HN 0.423 nan 8.370 nan 0.000 0.470 116 E N -0.390 119.688 120.200 -0.202 0.000 2.107 116 E HA -0.167 4.205 4.350 0.037 0.000 0.191 116 E C 1.931 177.972 176.600 -0.931 0.000 0.982 116 E CA 0.373 56.391 56.400 -0.636 0.000 0.809 116 E CB -0.152 29.217 29.700 -0.552 0.000 0.756 116 E HN 0.331 nan 8.360 nan 0.000 0.459 117 Y N 0.025 119.985 120.300 -0.567 0.000 2.053 117 Y HA -0.293 4.279 4.550 0.037 0.000 0.277 117 Y C 1.667 177.355 175.900 -0.354 0.000 1.159 117 Y CA 1.896 59.712 58.100 -0.474 0.000 1.125 117 Y CB -0.445 37.700 38.460 -0.524 0.000 0.969 117 Y HN 0.071 nan 8.280 nan 0.000 0.492 118 W N 0.419 121.729 121.300 0.017 0.000 2.436 118 W HA -0.064 4.619 4.660 0.037 0.000 0.284 118 W C 2.455 179.050 176.519 0.126 0.000 1.225 118 W CA 1.070 58.459 57.345 0.073 0.000 1.271 118 W CB -0.298 29.279 29.460 0.195 0.000 1.114 118 W HN 0.196 nan 8.180 nan 0.000 0.559 119 E N 0.389 120.703 120.200 0.190 0.000 2.077 119 E HA -0.215 4.157 4.350 0.037 0.000 0.193 119 E C 1.726 178.478 176.600 0.254 0.000 0.989 119 E CA 1.595 58.103 56.400 0.179 0.000 0.800 119 E CB -0.741 28.972 29.700 0.022 0.000 0.746 119 E HN 0.145 nan 8.360 nan 0.000 0.452 120 F N 0.816 120.772 119.950 0.010 0.000 2.234 120 F HA -0.019 4.530 4.527 0.036 0.000 0.299 120 F C 2.491 178.194 175.800 -0.161 0.000 1.087 120 F CA 1.100 59.045 58.000 -0.092 0.000 1.340 120 F CB -1.085 37.891 39.000 -0.041 0.000 1.031 120 F HN -0.005 nan 8.300 nan 0.000 0.500 121 S N -1.058 114.640 115.700 -0.003 0.000 2.419 121 S HA -0.191 4.301 4.470 0.037 0.000 0.233 121 S C 1.599 176.280 174.600 0.133 0.000 1.016 121 S CA 1.207 59.397 58.200 -0.017 0.000 0.974 121 S CB -0.543 62.653 63.200 -0.007 0.000 0.786 121 S HN 0.466 nan 8.310 nan 0.000 0.492 122 H N 1.059 120.216 119.070 0.145 0.000 2.403 122 H HA 0.202 4.780 4.556 0.037 0.000 0.298 122 H C 2.288 177.731 175.328 0.192 0.000 1.059 122 H CA 0.836 56.992 56.048 0.181 0.000 1.363 122 H CB 0.089 29.664 29.762 -0.312 0.000 1.410 122 H HN 0.078 nan 8.280 nan 0.000 0.528 123 R N 0.966 121.478 120.500 0.020 0.000 2.148 123 R HA -0.054 4.308 4.340 0.037 0.000 0.227 123 R C 2.123 178.191 176.300 -0.388 0.000 1.103 123 R CA 1.143 57.019 56.100 -0.374 0.000 0.983 123 R CB -0.600 28.959 30.300 -1.236 0.000 0.874 123 R HN 0.556 nan 8.270 nan 0.000 0.451 124 I N -3.090 117.304 120.570 -0.292 0.000 2.916 124 I HA -0.070 4.122 4.170 0.037 0.000 0.267 124 I C 0.690 176.620 176.117 -0.311 0.000 1.263 124 I CA 1.230 62.312 61.300 -0.363 0.000 1.471 124 I CB -0.261 37.464 38.000 -0.458 0.000 1.089 124 I HN -0.174 nan 8.210 nan 0.000 0.468 125 F N 1.771 121.800 119.950 0.133 0.000 2.639 125 F HA 0.356 4.905 4.527 0.037 0.000 0.302 125 F C 0.494 176.430 175.800 0.227 0.000 1.097 125 F CA -0.417 57.750 58.000 0.279 0.000 1.294 125 F CB 0.120 39.258 39.000 0.230 0.000 1.027 125 F HN 0.081 nan 8.300 nan 0.000 0.550 126 E N 0.145 120.469 120.200 0.207 0.000 2.267 126 E HA 0.126 4.498 4.350 0.037 0.000 0.241 126 E C -1.203 175.382 176.600 -0.025 0.000 0.950 126 E CA -0.492 55.971 56.400 0.104 0.000 0.776 126 E CB 0.437 30.189 29.700 0.087 0.000 1.207 126 E HN 0.100 nan 8.360 nan 0.000 0.436 127 W N 3.664 124.891 121.300 -0.123 0.000 2.376 127 W HA 0.301 4.983 4.660 0.036 0.000 0.322 127 W C -1.747 174.683 176.519 -0.148 0.000 1.160 127 W CA -1.996 55.277 57.345 -0.119 0.000 1.218 127 W CB 0.033 29.404 29.460 -0.147 0.000 1.205 127 W HN 0.300 nan 8.180 nan 0.000 0.559 128 P HA 0.109 nan 4.420 nan 0.000 0.275 128 P C -0.668 176.637 177.300 0.009 0.000 1.266 128 P CA -0.098 63.016 63.100 0.023 0.000 0.793 128 P CB 0.507 32.220 31.700 0.022 0.000 1.074 129 N N -1.129 117.562 118.700 -0.014 0.000 2.721 129 N HA -0.193 4.569 4.740 0.037 0.000 0.249 129 N C 0.821 176.296 175.510 -0.058 0.000 1.072 129 N CA 0.638 53.675 53.050 -0.021 0.000 0.710 129 N CB -1.822 36.667 38.487 0.003 0.000 0.993 129 N HN 0.924 nan 8.380 nan 0.000 0.547 130 G N -1.186 107.541 108.800 -0.123 0.000 2.162 130 G HA2 -0.356 3.626 3.960 0.037 0.000 0.260 130 G HA3 -0.356 3.626 3.960 0.037 0.000 0.260 130 G C -0.029 174.662 174.900 -0.347 0.000 0.976 130 G CA 0.783 45.762 45.100 -0.201 0.000 0.655 130 G HN 0.606 nan 8.290 nan 0.000 0.533 131 E N -1.111 118.907 120.200 -0.303 0.000 2.312 131 E HA 0.691 5.063 4.350 0.037 0.000 0.259 131 E C -0.527 175.654 176.600 -0.698 0.000 1.122 131 E CA -0.461 55.746 56.400 -0.322 0.000 0.922 131 E CB 0.706 30.332 29.700 -0.123 0.000 1.109 131 E HN 0.180 nan 8.360 nan 0.000 0.442 132 F N -0.060 119.629 119.950 -0.435 0.000 2.563 132 F HA 0.409 4.958 4.527 0.036 0.000 0.316 132 F C 0.193 175.502 175.800 -0.819 0.000 1.076 132 F CA -1.060 56.599 58.000 -0.568 0.000 0.921 132 F CB 1.491 40.007 39.000 -0.807 0.000 1.209 132 F HN 0.432 nan 8.300 nan 0.000 0.462 133 A N 1.636 124.003 122.820 -0.756 0.000 2.540 133 A HA 0.194 4.536 4.320 0.037 0.000 0.239 133 A C 0.496 177.958 177.584 -0.204 0.000 1.061 133 A CA -0.009 51.630 52.037 -0.663 0.000 0.758 133 A CB -0.141 18.866 19.000 0.010 0.000 0.991 133 A HN 0.872 nan 8.150 nan 0.000 0.502 134 N N 0.632 119.217 118.700 -0.192 0.000 2.159 134 N HA 0.202 4.964 4.740 0.037 0.000 0.217 134 N C -0.587 174.910 175.510 -0.022 0.000 1.223 134 N CA -0.032 52.999 53.050 -0.031 0.000 0.896 134 N CB 0.510 39.022 38.487 0.042 0.000 1.064 134 N HN 0.417 nan 8.380 nan 0.000 0.518 135 M N 0.864 120.436 119.600 -0.047 0.000 2.433 135 M HA 0.453 4.955 4.480 0.037 0.000 0.290 135 M C -1.297 174.977 176.300 -0.043 0.000 1.173 135 M CA -0.497 54.772 55.300 -0.052 0.000 0.905 135 M CB 2.493 35.075 32.600 -0.029 0.000 1.692 135 M HN -0.083 nan 8.290 nan 0.000 0.462 136 I N 2.981 123.506 120.570 -0.074 0.000 2.404 136 I HA 0.497 4.689 4.170 0.037 0.000 0.293 136 I C -0.736 175.331 176.117 -0.083 0.000 0.992 136 I CA -0.788 60.480 61.300 -0.052 0.000 1.149 136 I CB 2.114 40.130 38.000 0.027 0.000 1.315 136 I HN 0.533 nan 8.210 nan 0.000 0.446 137 L N 6.004 127.134 121.223 -0.155 0.000 2.316 137 L HA 0.509 4.871 4.340 0.037 0.000 0.280 137 L C -1.352 175.394 176.870 -0.206 0.000 1.006 137 L CA -0.227 54.527 54.840 -0.143 0.000 0.836 137 L CB 0.997 42.982 42.059 -0.123 0.000 1.221 137 L HN 0.520 nan 8.230 nan 0.000 0.418 138 D N 2.874 123.219 120.400 -0.091 0.000 2.481 138 D HA 0.341 5.003 4.640 0.037 0.000 0.244 138 D C -1.521 174.754 176.300 -0.041 0.000 1.057 138 D CA -0.115 53.842 54.000 -0.073 0.000 0.848 138 D CB 2.267 43.070 40.800 0.004 0.000 1.388 138 D HN 0.395 nan 8.370 nan 0.000 0.475 139 D N 1.476 121.839 120.400 -0.062 0.000 2.473 139 D HA 0.459 5.121 4.640 0.037 0.000 0.253 139 D C 0.769 176.983 176.300 -0.143 0.000 1.233 139 D CA -0.271 53.690 54.000 -0.066 0.000 0.908 139 D CB 0.728 41.507 40.800 -0.035 0.000 1.170 139 D HN 0.600 nan 8.370 nan 0.000 0.558 140 G N 2.318 110.952 108.800 -0.276 0.000 2.195 140 G HA2 -0.118 3.864 3.960 0.037 0.000 0.224 140 G HA3 -0.118 3.864 3.960 0.037 0.000 0.224 140 G C 1.048 175.925 174.900 -0.039 0.000 0.990 140 G CA 0.392 45.183 45.100 -0.514 0.000 0.639 140 G HN 1.553 nan 8.290 nan 0.000 0.514 141 G N -0.381 108.450 108.800 0.051 0.000 2.159 141 G HA2 -0.263 3.719 3.960 0.037 0.000 0.256 141 G HA3 -0.263 3.719 3.960 0.037 0.000 0.256 141 G C 0.717 175.764 174.900 0.245 0.000 0.977 141 G CA 1.109 46.297 45.100 0.147 0.000 0.652 141 G HN 0.631 nan 8.290 nan 0.000 0.531 142 D N 0.416 120.988 120.400 0.286 0.000 2.144 142 D HA 0.161 4.823 4.640 0.037 0.000 0.200 142 D C 2.660 179.179 176.300 0.365 0.000 0.978 142 D CA 1.604 55.848 54.000 0.406 0.000 0.833 142 D CB -0.458 40.568 40.800 0.377 0.000 0.961 142 D HN 0.662 nan 8.370 nan 0.000 0.470 143 A N 0.157 123.128 122.820 0.252 0.000 1.898 143 A HA -0.127 4.215 4.320 0.037 0.000 0.216 143 A C 2.329 180.133 177.584 0.368 0.000 1.181 143 A CA 1.880 54.125 52.037 0.347 0.000 0.620 143 A CB -0.838 18.304 19.000 0.236 0.000 0.819 143 A HN 0.192 nan 8.150 nan 0.000 0.442 144 T N 0.333 115.057 114.554 0.283 0.000 2.684 144 T HA -0.167 4.205 4.350 0.037 0.000 0.267 144 T C 1.855 176.677 174.700 0.203 0.000 1.036 144 T CA 1.608 63.868 62.100 0.267 0.000 1.148 144 T CB -0.436 68.578 68.868 0.243 0.000 0.863 144 T HN 0.338 nan 8.240 nan 0.000 0.436 145 L N 1.088 122.437 121.223 0.210 0.000 2.012 145 L HA 0.004 4.366 4.340 0.037 0.000 0.210 145 L C 2.198 179.130 176.870 0.105 0.000 1.073 145 L CA 1.509 56.445 54.840 0.160 0.000 0.748 145 L CB -0.895 41.300 42.059 0.226 0.000 0.891 145 L HN 0.174 nan 8.230 nan 0.000 0.431 146 L N -0.792 120.537 121.223 0.176 0.000 2.012 146 L HA -0.203 4.159 4.340 0.037 0.000 0.210 146 L C 2.301 179.173 176.870 0.002 0.000 1.073 146 L CA 1.908 56.796 54.840 0.080 0.000 0.748 146 L CB -0.657 41.523 42.059 0.201 0.000 0.891 146 L HN 0.318 nan 8.230 nan 0.000 0.431 147 L N -1.247 120.010 121.223 0.055 0.000 2.093 147 L HA -0.201 4.161 4.340 0.037 0.000 0.208 147 L C 2.514 179.398 176.870 0.024 0.000 1.085 147 L CA 1.331 56.209 54.840 0.065 0.000 0.755 147 L CB -0.414 41.605 42.059 -0.066 0.000 0.904 147 L HN 0.288 nan 8.230 nan 0.000 0.435 148 I N -0.629 119.941 120.570 -0.001 0.000 2.286 148 I HA -0.264 3.928 4.170 0.037 0.000 0.245 148 I C 2.403 178.463 176.117 -0.095 0.000 1.104 148 I CA 0.815 62.089 61.300 -0.044 0.000 1.397 148 I CB -0.041 37.930 38.000 -0.047 0.000 1.072 148 I HN 0.209 nan 8.210 nan 0.000 0.417 149 L N 0.959 122.106 121.223 -0.127 0.000 2.072 149 L HA 0.038 4.400 4.340 0.037 0.000 0.205 149 L C 2.309 178.990 176.870 -0.316 0.000 1.079 149 L CA 1.995 56.722 54.840 -0.189 0.000 0.752 149 L CB -1.221 40.739 42.059 -0.165 0.000 0.906 149 L HN 0.154 nan 8.230 nan 0.000 0.436 150 G N -1.110 107.378 108.800 -0.520 0.000 2.491 150 G HA2 -0.298 3.684 3.960 0.037 0.000 0.218 150 G HA3 -0.298 3.684 3.960 0.037 0.000 0.218 150 G C 1.556 176.227 174.900 -0.382 0.000 1.180 150 G CA 1.031 45.503 45.100 -1.048 0.000 0.774 150 G HN 0.486 nan 8.290 nan 0.000 0.562 151 S N 0.547 116.189 115.700 -0.096 0.000 2.365 151 S HA -0.123 4.369 4.470 0.037 0.000 0.225 151 S C 2.236 176.812 174.600 -0.040 0.000 1.039 151 S CA 1.515 59.730 58.200 0.026 0.000 1.033 151 S CB -0.231 62.988 63.200 0.032 0.000 0.887 151 S HN 0.426 nan 8.310 nan 0.000 0.447 152 K N 1.284 121.628 120.400 -0.093 0.000 2.063 152 K HA -0.060 4.282 4.320 0.037 0.000 0.208 152 K C 2.440 178.977 176.600 -0.106 0.000 1.048 152 K CA 1.226 57.455 56.287 -0.097 0.000 0.928 152 K CB -0.395 32.035 32.500 -0.117 0.000 0.713 152 K HN 0.373 nan 8.250 nan 0.000 0.442 153 A N 1.832 124.562 122.820 -0.149 0.000 1.933 153 A HA -0.212 4.130 4.320 0.037 0.000 0.218 153 A C 1.876 179.417 177.584 -0.071 0.000 1.175 153 A CA 1.489 53.434 52.037 -0.154 0.000 0.628 153 A CB -0.399 18.467 19.000 -0.224 0.000 0.814 153 A HN 0.347 nan 8.150 nan 0.000 0.444 154 E N -0.274 119.917 120.200 -0.015 0.000 2.130 154 E HA -0.227 4.145 4.350 0.037 0.000 0.196 154 E C 1.721 178.325 176.600 0.007 0.000 0.998 154 E CA 1.579 58.002 56.400 0.038 0.000 0.806 154 E CB -0.152 29.601 29.700 0.089 0.000 0.738 154 E HN 0.617 nan 8.360 nan 0.000 0.459 155 K N -0.409 119.981 120.400 -0.017 0.000 2.361 155 K HA 0.025 4.367 4.320 0.037 0.000 0.194 155 K C 0.000 176.577 176.600 -0.038 0.000 1.032 155 K CA 0.183 56.456 56.287 -0.023 0.000 1.048 155 K CB 0.711 33.196 32.500 -0.025 0.000 0.842 155 K HN -0.087 nan 8.250 nan 0.000 0.526 156 D N 0.301 120.666 120.400 -0.057 0.000 2.351 156 D HA 0.112 4.774 4.640 0.037 0.000 0.235 156 D C 0.370 176.611 176.300 -0.099 0.000 1.331 156 D CA -0.168 53.790 54.000 -0.071 0.000 0.959 156 D CB 0.601 41.357 40.800 -0.074 0.000 1.432 156 D HN -0.238 nan 8.370 nan 0.000 0.544 157 R N 0.844 121.290 120.500 -0.089 0.000 2.249 157 R HA -0.080 4.282 4.340 0.037 0.000 0.230 157 R C 1.805 178.015 176.300 -0.149 0.000 1.121 157 R CA 1.013 57.044 56.100 -0.114 0.000 0.997 157 R CB -0.467 29.786 30.300 -0.080 0.000 0.867 157 R HN 0.503 nan 8.270 nan 0.000 0.465 158 S N 0.571 116.195 115.700 -0.126 0.000 2.423 158 S HA -0.104 4.388 4.470 0.037 0.000 0.231 158 S C 2.123 176.612 174.600 -0.184 0.000 1.014 158 S CA 1.139 59.264 58.200 -0.126 0.000 0.965 158 S CB -0.619 62.530 63.200 -0.086 0.000 0.785 158 S HN 0.212 nan 8.310 nan 0.000 0.495 159 V N 1.022 120.802 119.914 -0.222 0.000 2.867 159 V HA 0.117 4.259 4.120 0.037 0.000 0.260 159 V C 1.776 177.506 176.094 -0.607 0.000 1.099 159 V CA 1.436 63.558 62.300 -0.298 0.000 1.122 159 V CB -1.281 30.393 31.823 -0.248 0.000 0.708 159 V HN 0.812 nan 8.190 nan 0.000 0.490 160 I N -2.791 117.353 120.570 -0.710 0.000 3.856 160 I HA 0.737 4.929 4.170 0.037 0.000 0.330 160 I C 1.663 177.432 176.117 -0.580 0.000 1.546 160 I CA 0.328 60.843 61.300 -1.308 0.000 1.132 160 I CB 0.172 37.599 38.000 -0.953 0.000 1.157 160 I HN 0.039 nan 8.210 nan 0.000 0.440 161 A N 1.561 124.214 122.820 -0.278 0.000 2.030 161 A HA 0.392 4.734 4.320 0.037 0.000 0.215 161 A C 1.788 179.404 177.584 0.053 0.000 1.164 161 A CA 0.896 52.890 52.037 -0.071 0.000 0.697 161 A CB -0.174 18.783 19.000 -0.072 0.000 0.827 161 A HN 0.519 nan 8.150 nan 0.000 0.457 162 R N 1.345 121.923 120.500 0.130 0.000 2.629 162 R HA 0.515 4.877 4.340 0.037 0.000 0.277 162 R C -3.039 173.389 176.300 0.213 0.000 1.637 162 R CA -1.390 54.791 56.100 0.135 0.000 1.663 162 R CB -0.977 29.360 30.300 0.061 0.000 1.228 162 R HN 0.432 nan 8.270 nan 0.000 0.632 163 P HA 0.110 nan 4.420 nan 0.000 0.271 163 P C 0.420 177.669 177.300 -0.084 0.000 1.216 163 P CA 0.520 63.562 63.100 -0.097 0.000 0.771 163 P CB 1.746 33.295 31.700 -0.252 0.000 0.864 164 T N -0.974 113.508 114.554 -0.121 0.000 3.023 164 T HA 0.132 4.504 4.350 0.037 0.000 0.253 164 T C 0.430 175.092 174.700 -0.063 0.000 1.038 164 T CA -0.087 61.972 62.100 -0.068 0.000 0.962 164 T CB -0.434 68.400 68.868 -0.057 0.000 1.018 164 T HN 0.614 nan 8.240 nan 0.000 0.521 165 N N 0.001 118.635 118.700 -0.111 0.000 2.927 165 N HA 0.187 4.949 4.740 0.037 0.000 0.248 165 N C 0.483 175.926 175.510 -0.111 0.000 1.443 165 N CA -0.475 52.532 53.050 -0.072 0.000 0.870 165 N CB 0.840 39.310 38.487 -0.027 0.000 1.444 165 N HN 0.148 nan 8.380 nan 0.000 0.519 166 E N -0.582 119.579 120.200 -0.066 0.000 2.153 166 E HA -0.278 4.094 4.350 0.037 0.000 0.194 166 E C 0.945 177.504 176.600 -0.069 0.000 0.988 166 E CA 1.218 57.580 56.400 -0.064 0.000 0.811 166 E CB -0.052 29.625 29.700 -0.038 0.000 0.746 166 E HN 0.761 nan 8.360 nan 0.000 0.466 167 E N 1.278 121.441 120.200 -0.061 0.000 2.051 167 E HA -0.230 4.142 4.350 0.037 0.000 0.192 167 E C 1.976 178.473 176.600 -0.171 0.000 0.991 167 E CA 1.433 57.833 56.400 -0.001 0.000 0.799 167 E CB 0.043 29.744 29.700 0.003 0.000 0.748 167 E HN 0.413 nan 8.360 nan 0.000 0.449 168 E N -0.087 119.889 120.200 -0.372 0.000 2.150 168 E HA -0.144 4.228 4.350 0.037 0.000 0.193 168 E C 2.216 178.330 176.600 -0.809 0.000 0.985 168 E CA 1.013 56.905 56.400 -0.846 0.000 0.814 168 E CB 0.155 29.262 29.700 -0.988 0.000 0.752 168 E HN 0.161 nan 8.360 nan 0.000 0.466 169 V N 1.524 121.197 119.914 -0.401 0.000 2.295 169 V HA -0.300 3.842 4.120 0.037 0.000 0.246 169 V C 2.361 178.363 176.094 -0.153 0.000 1.049 169 V CA 2.000 64.168 62.300 -0.219 0.000 1.024 169 V CB -0.719 31.035 31.823 -0.114 0.000 0.648 169 V HN 0.318 nan 8.190 nan 0.000 0.447 170 A N -0.345 122.405 122.820 -0.118 0.000 1.873 170 A HA -0.166 4.176 4.320 0.037 0.000 0.215 170 A C 2.149 179.637 177.584 -0.160 0.000 1.186 170 A CA 2.014 54.044 52.037 -0.012 0.000 0.616 170 A CB -0.580 18.542 19.000 0.204 0.000 0.823 170 A HN 0.433 nan 8.150 nan 0.000 0.442 171 L N -1.088 119.802 121.223 -0.556 0.000 1.976 171 L HA -0.091 4.271 4.340 0.037 0.000 0.209 171 L C 2.200 178.950 176.870 -0.200 0.000 1.071 171 L CA 2.025 56.335 54.840 -0.883 0.000 0.746 171 L CB -0.953 40.428 42.059 -1.130 0.000 0.890 171 L HN 0.336 nan 8.230 nan 0.000 0.432 172 F N 0.568 120.329 119.950 -0.315 0.000 2.126 172 F HA -0.206 4.343 4.527 0.037 0.000 0.299 172 F C 2.633 178.352 175.800 -0.135 0.000 1.096 172 F CA 1.545 59.424 58.000 -0.202 0.000 1.255 172 F CB -1.362 37.544 39.000 -0.157 0.000 0.997 172 F HN 0.230 nan 8.300 nan 0.000 0.479 173 K N 0.592 121.043 120.400 0.085 0.000 2.063 173 K HA -0.201 4.141 4.320 0.037 0.000 0.208 173 K C 2.327 178.934 176.600 0.012 0.000 1.048 173 K CA 1.872 58.177 56.287 0.029 0.000 0.928 173 K CB -0.176 32.329 32.500 0.009 0.000 0.713 173 K HN 0.321 nan 8.250 nan 0.000 0.442 174 S N 0.255 115.974 115.700 0.031 0.000 2.406 174 S HA -0.084 4.408 4.470 0.037 0.000 0.228 174 S C 1.994 176.665 174.600 0.119 0.000 1.020 174 S CA 0.840 59.074 58.200 0.057 0.000 0.965 174 S CB -0.425 62.879 63.200 0.174 0.000 0.798 174 S HN 0.335 nan 8.310 nan 0.000 0.488 175 I N 1.724 122.361 120.570 0.112 0.000 2.202 175 I HA -0.117 4.075 4.170 0.037 0.000 0.242 175 I C 2.936 179.107 176.117 0.090 0.000 1.091 175 I CA 1.330 62.707 61.300 0.128 0.000 1.368 175 I CB -0.414 37.530 38.000 -0.094 0.000 1.058 175 I HN 0.269 nan 8.210 nan 0.000 0.410 176 E N 0.776 120.984 120.200 0.014 0.000 2.070 176 E HA -0.292 4.080 4.350 0.037 0.000 0.197 176 E C 2.204 178.783 176.600 -0.034 0.000 1.004 176 E CA 1.390 57.785 56.400 -0.009 0.000 0.805 176 E CB -0.401 29.286 29.700 -0.022 0.000 0.744 176 E HN 0.430 nan 8.360 nan 0.000 0.451 177 R N -0.111 120.335 120.500 -0.090 0.000 2.096 177 R HA -0.154 4.208 4.340 0.037 0.000 0.235 177 R C 2.084 178.179 176.300 -0.341 0.000 1.127 177 R CA 1.584 57.553 56.100 -0.218 0.000 0.968 177 R CB -0.154 29.975 30.300 -0.284 0.000 0.861 177 R HN 0.254 nan 8.270 nan 0.000 0.440 178 H N -0.403 118.522 119.070 -0.242 0.000 2.470 178 H HA 0.037 4.615 4.556 0.037 0.000 0.289 178 H C 1.823 177.081 175.328 -0.117 0.000 1.033 178 H CA 1.323 57.145 56.048 -0.377 0.000 1.331 178 H CB 0.149 29.364 29.762 -0.912 0.000 1.414 178 H HN 0.136 nan 8.280 nan 0.000 0.545 179 L N 0.260 121.556 121.223 0.121 0.000 2.093 179 L HA -0.125 4.237 4.340 0.037 0.000 0.208 179 L C 2.222 179.140 176.870 0.080 0.000 1.085 179 L CA 0.855 55.788 54.840 0.156 0.000 0.755 179 L CB -0.142 42.004 42.059 0.146 0.000 0.904 179 L HN 0.271 nan 8.230 nan 0.000 0.435 180 E N 0.438 120.649 120.200 0.020 0.000 2.118 180 E HA -0.217 4.155 4.350 0.037 0.000 0.195 180 E C 2.251 178.861 176.600 0.017 0.000 0.992 180 E CA 1.370 57.772 56.400 0.003 0.000 0.804 180 E CB -0.168 29.513 29.700 -0.031 0.000 0.741 180 E HN 0.536 nan 8.360 nan 0.000 0.458 181 I N 0.309 120.885 120.570 0.009 0.000 2.202 181 I HA -0.162 4.030 4.170 0.037 0.000 0.242 181 I C 0.832 177.019 176.117 0.116 0.000 1.091 181 I CA 0.938 62.267 61.300 0.048 0.000 1.368 181 I CB 0.180 38.206 38.000 0.044 0.000 1.058 181 I HN -0.061 nan 8.210 nan 0.000 0.410 182 D N -0.337 120.171 120.400 0.179 0.000 2.616 182 D HA 0.184 4.846 4.640 0.037 0.000 0.238 182 D C 0.578 177.002 176.300 0.207 0.000 1.354 182 D CA -0.228 53.893 54.000 0.201 0.000 0.970 182 D CB 1.695 42.659 40.800 0.273 0.000 1.369 182 D HN 0.110 nan 8.370 nan 0.000 0.585 183 G N 1.653 110.540 108.800 0.144 0.000 2.498 183 G HA2 -0.116 3.866 3.960 0.037 0.000 0.219 183 G HA3 -0.116 3.866 3.960 0.037 0.000 0.219 183 G C 0.853 175.851 174.900 0.163 0.000 1.119 183 G CA 0.329 45.511 45.100 0.136 0.000 0.766 183 G HN 0.397 nan 8.290 nan 0.000 0.552 184 S N -1.165 114.633 115.700 0.163 0.000 2.651 184 S HA 0.135 4.627 4.470 0.037 0.000 0.246 184 S C 0.894 175.586 174.600 0.154 0.000 1.039 184 S CA -0.913 57.373 58.200 0.144 0.000 1.013 184 S CB -0.082 63.165 63.200 0.078 0.000 0.861 184 S HN 0.565 nan 8.310 nan 0.000 0.485 185 W N 1.194 122.499 121.300 0.007 0.000 2.321 185 W HA -0.270 4.412 4.660 0.036 0.000 0.306 185 W C 1.094 177.448 176.519 -0.274 0.000 1.217 185 W CA 1.827 59.075 57.345 -0.160 0.000 1.257 185 W CB -0.127 29.138 29.460 -0.324 0.000 1.145 185 W HN 0.473 nan 8.180 nan 0.000 0.509 186 Y N -0.759 119.753 120.300 0.353 0.000 2.266 186 Y HA -0.098 4.474 4.550 0.036 0.000 0.294 186 Y C 2.964 178.879 175.900 0.024 0.000 1.127 186 Y CA 1.531 59.766 58.100 0.226 0.000 1.140 186 Y CB -1.231 37.361 38.460 0.219 0.000 1.071 186 Y HN -0.094 nan 8.280 nan 0.000 0.525 187 S N 1.227 117.031 115.700 0.175 0.000 2.382 187 S HA -0.269 4.223 4.470 0.037 0.000 0.228 187 S C 1.894 176.480 174.600 -0.023 0.000 1.027 187 S CA 1.562 59.798 58.200 0.061 0.000 0.991 187 S CB -0.599 62.632 63.200 0.052 0.000 0.823 187 S HN 0.606 nan 8.310 nan 0.000 0.469 188 K N 1.340 121.712 120.400 -0.048 0.000 2.148 188 K HA 0.000 4.342 4.320 0.037 0.000 0.204 188 K C 2.281 178.768 176.600 -0.189 0.000 1.050 188 K CA 0.914 57.125 56.287 -0.126 0.000 0.942 188 K CB -0.229 32.217 32.500 -0.090 0.000 0.724 188 K HN 0.319 nan 8.250 nan 0.000 0.446 189 R N 0.138 120.550 120.500 -0.147 0.000 2.100 189 R HA 0.045 4.407 4.340 0.037 0.000 0.220 189 R C 2.294 178.561 176.300 -0.054 0.000 1.091 189 R CA 0.545 56.586 56.100 -0.098 0.000 0.986 189 R CB -0.337 29.820 30.300 -0.239 0.000 0.888 189 R HN 0.106 nan 8.270 nan 0.000 0.444 190 L N 1.263 122.456 121.223 -0.051 0.000 2.042 190 L HA -0.141 4.221 4.340 0.037 0.000 0.210 190 L C 2.189 179.076 176.870 0.027 0.000 1.076 190 L CA 1.976 56.832 54.840 0.028 0.000 0.749 190 L CB -0.772 41.317 42.059 0.050 0.000 0.893 190 L HN 0.154 nan 8.230 nan 0.000 0.432 191 A N -1.718 121.057 122.820 -0.075 0.000 2.032 191 A HA -0.273 4.069 4.320 0.037 0.000 0.221 191 A C 1.912 179.326 177.584 -0.284 0.000 1.165 191 A CA 2.024 53.950 52.037 -0.185 0.000 0.645 191 A CB -0.983 17.833 19.000 -0.306 0.000 0.807 191 A HN 0.720 nan 8.150 nan 0.000 0.453 192 H N -1.372 117.595 119.070 -0.171 0.000 2.553 192 H HA 0.235 4.812 4.556 0.036 0.000 0.265 192 H C -0.017 175.261 175.328 -0.083 0.000 0.964 192 H CA -0.157 55.801 56.048 -0.150 0.000 1.156 192 H CB 0.256 29.900 29.762 -0.196 0.000 1.411 192 H HN 0.278 nan 8.280 nan 0.000 0.558 193 I N 1.576 122.159 120.570 0.021 0.000 2.452 193 I HA -0.020 4.172 4.170 0.037 0.000 0.287 193 I C 1.041 177.069 176.117 -0.149 0.000 1.079 193 I CA 0.405 61.646 61.300 -0.099 0.000 1.387 193 I CB 1.220 39.077 38.000 -0.238 0.000 1.404 193 I HN 0.230 nan 8.210 nan 0.000 0.522 194 K N 3.849 124.164 120.400 -0.142 0.000 2.262 194 K HA 0.258 4.600 4.320 0.037 0.000 0.200 194 K C 0.909 177.421 176.600 -0.147 0.000 1.049 194 K CA 0.396 56.630 56.287 -0.088 0.000 0.979 194 K CB 0.420 32.898 32.500 -0.038 0.000 0.773 194 K HN 0.905 nan 8.250 nan 0.000 0.474 195 G N -0.186 108.414 108.800 -0.333 0.000 2.320 195 G HA2 0.292 4.274 3.960 0.037 0.000 0.296 195 G HA3 0.292 4.274 3.960 0.037 0.000 0.296 195 G C -2.139 172.528 174.900 -0.389 0.000 1.306 195 G CA -0.656 44.208 45.100 -0.394 0.000 0.836 195 G HN -0.084 nan 8.290 nan 0.000 0.517 196 V N 0.105 119.913 119.914 -0.177 0.000 2.789 196 V HA 0.877 5.019 4.120 0.037 0.000 0.311 196 V C -0.265 175.858 176.094 0.048 0.000 1.073 196 V CA 0.243 62.505 62.300 -0.064 0.000 0.921 196 V CB 2.239 34.086 31.823 0.040 0.000 1.009 196 V HN 1.682 nan 8.190 nan 0.000 0.426 197 T N 2.116 116.701 114.554 0.051 0.000 2.792 197 T HA 0.749 5.121 4.350 0.037 0.000 0.280 197 T C -0.811 173.929 174.700 0.067 0.000 0.990 197 T CA -0.552 61.607 62.100 0.099 0.000 0.960 197 T CB 1.499 70.414 68.868 0.077 0.000 0.939 197 T HN 0.772 nan 8.240 nan 0.000 0.439 198 E N 1.783 122.031 120.200 0.081 0.000 2.199 198 E HA 0.360 4.732 4.350 0.037 0.000 0.265 198 E C 0.510 177.146 176.600 0.061 0.000 0.882 198 E CA -0.727 55.703 56.400 0.051 0.000 0.759 198 E CB 2.012 31.731 29.700 0.031 0.000 1.148 198 E HN 0.791 nan 8.360 nan 0.000 0.412 199 E N 2.554 122.789 120.200 0.058 0.000 2.190 199 E HA 0.087 4.459 4.350 0.037 0.000 0.191 199 E C -0.046 176.597 176.600 0.072 0.000 0.978 199 E CA 0.585 57.041 56.400 0.092 0.000 0.839 199 E CB 0.426 30.205 29.700 0.131 0.000 0.787 199 E HN 0.389 nan 8.360 nan 0.000 0.473 200 T N -1.409 113.157 114.554 0.021 0.000 2.916 200 T HA 0.246 4.618 4.350 0.037 0.000 0.292 200 T C 0.697 175.405 174.700 0.014 0.000 1.055 200 T CA -0.093 62.015 62.100 0.012 0.000 1.009 200 T CB 1.537 70.380 68.868 -0.042 0.000 1.118 200 T HN 0.070 nan 8.240 nan 0.000 0.497 201 T N 2.016 116.600 114.554 0.049 0.000 2.624 201 T HA -0.156 4.215 4.350 0.037 0.000 0.268 201 T C 1.993 176.757 174.700 0.106 0.000 1.041 201 T CA 2.342 64.495 62.100 0.090 0.000 1.159 201 T CB -0.712 68.209 68.868 0.088 0.000 0.863 201 T HN 0.720 nan 8.240 nan 0.000 0.434 202 T N 1.192 115.777 114.554 0.051 0.000 2.684 202 T HA -0.055 4.317 4.350 0.037 0.000 0.267 202 T C 2.293 177.055 174.700 0.102 0.000 1.036 202 T CA 1.413 63.565 62.100 0.086 0.000 1.148 202 T CB -0.989 67.885 68.868 0.010 0.000 0.863 202 T HN 0.571 nan 8.240 nan 0.000 0.436 203 G N 0.854 109.633 108.800 -0.035 0.000 2.421 203 G HA2 -0.180 3.802 3.960 0.037 0.000 0.216 203 G HA3 -0.180 3.802 3.960 0.037 0.000 0.216 203 G C 1.718 176.636 174.900 0.031 0.000 1.171 203 G CA 0.841 45.940 45.100 -0.000 0.000 0.775 203 G HN 0.429 nan 8.290 nan 0.000 0.543 204 V N 0.484 120.411 119.914 0.021 0.000 2.407 204 V HA -0.221 3.921 4.120 0.037 0.000 0.248 204 V C 2.458 178.554 176.094 0.003 0.000 1.055 204 V CA 2.057 64.326 62.300 -0.052 0.000 1.049 204 V CB -0.602 31.222 31.823 0.003 0.000 0.662 204 V HN 0.569 nan 8.190 nan 0.000 0.455 205 H N 0.699 119.825 119.070 0.094 0.000 2.352 205 H HA -0.164 4.414 4.556 0.037 0.000 0.299 205 H C 2.599 178.002 175.328 0.124 0.000 1.097 205 H CA 2.102 58.251 56.048 0.168 0.000 1.311 205 H CB 0.148 30.003 29.762 0.156 0.000 1.377 205 H HN 0.342 nan 8.280 nan 0.000 0.504 206 R N -0.054 120.514 120.500 0.113 0.000 2.105 206 R HA -0.116 4.246 4.340 0.037 0.000 0.239 206 R C 2.813 179.094 176.300 -0.032 0.000 1.135 206 R CA 1.328 57.461 56.100 0.055 0.000 0.967 206 R CB -0.118 30.258 30.300 0.127 0.000 0.861 206 R HN 0.313 nan 8.270 nan 0.000 0.442 207 L N -1.040 120.138 121.223 -0.075 0.000 2.056 207 L HA -0.172 4.190 4.340 0.037 0.000 0.207 207 L C 2.080 178.860 176.870 -0.149 0.000 1.078 207 L CA 1.159 55.918 54.840 -0.135 0.000 0.749 207 L CB -0.461 41.471 42.059 -0.211 0.000 0.901 207 L HN 0.144 nan 8.230 nan 0.000 0.433 208 Y N 0.023 120.273 120.300 -0.084 0.000 2.224 208 Y HA -0.299 4.273 4.550 0.036 0.000 0.289 208 Y C 2.795 178.609 175.900 -0.144 0.000 1.146 208 Y CA 1.407 59.440 58.100 -0.111 0.000 1.182 208 Y CB -0.601 37.792 38.460 -0.111 0.000 0.983 208 Y HN 0.192 nan 8.280 nan 0.000 0.524 209 Q N -0.033 119.725 119.800 -0.070 0.000 2.084 209 Q HA -0.176 4.186 4.340 0.037 0.000 0.202 209 Q C 2.157 178.131 176.000 -0.043 0.000 0.978 209 Q CA 1.780 57.533 55.803 -0.084 0.000 0.844 209 Q CB -0.343 28.324 28.738 -0.118 0.000 0.898 209 Q HN 0.493 nan 8.270 nan 0.000 0.426 210 M N -0.364 119.208 119.600 -0.047 0.000 2.117 210 M HA -0.181 4.321 4.480 0.037 0.000 0.262 210 M C 2.120 178.392 176.300 -0.048 0.000 1.065 210 M CA 1.836 57.103 55.300 -0.054 0.000 1.114 210 M CB -0.277 32.279 32.600 -0.074 0.000 1.361 210 M HN 0.316 nan 8.290 nan 0.000 0.408 211 E N 1.065 121.248 120.200 -0.028 0.000 2.038 211 E HA -0.246 4.126 4.350 0.037 0.000 0.195 211 E C 2.250 178.846 176.600 -0.007 0.000 1.000 211 E CA 2.257 58.651 56.400 -0.009 0.000 0.803 211 E CB -0.018 29.707 29.700 0.041 0.000 0.750 211 E HN 0.425 nan 8.360 nan 0.000 0.448 212 K N 0.860 121.262 120.400 0.002 0.000 2.113 212 K HA -0.192 4.150 4.320 0.037 0.000 0.208 212 K C 1.602 178.191 176.600 -0.019 0.000 1.047 212 K CA 2.031 58.313 56.287 -0.010 0.000 0.928 212 K CB -0.788 31.705 32.500 -0.012 0.000 0.716 212 K HN 0.246 nan 8.250 nan 0.000 0.446 213 D N -1.169 119.216 120.400 -0.025 0.000 2.340 213 D HA 0.129 4.791 4.640 0.037 0.000 0.220 213 D C 1.160 177.438 176.300 -0.037 0.000 1.039 213 D CA 0.894 54.875 54.000 -0.031 0.000 0.866 213 D CB 0.055 40.834 40.800 -0.034 0.000 0.913 213 D HN 0.612 nan 8.370 nan 0.000 0.523 214 G N 0.789 109.565 108.800 -0.039 0.000 2.225 214 G HA2 -0.379 3.603 3.960 0.037 0.000 0.267 214 G HA3 -0.379 3.603 3.960 0.037 0.000 0.267 214 G C 1.062 175.924 174.900 -0.064 0.000 1.024 214 G CA 0.809 45.881 45.100 -0.047 0.000 0.784 214 G HN 0.635 nan 8.290 nan 0.000 0.507 215 R N -1.289 119.166 120.500 -0.076 0.000 2.468 215 R HA 0.728 5.090 4.340 0.037 0.000 0.280 215 R C 0.884 177.093 176.300 -0.152 0.000 0.963 215 R CA 0.768 56.807 56.100 -0.101 0.000 1.083 215 R CB 0.208 30.455 30.300 -0.087 0.000 1.200 215 R HN 0.981 nan 8.270 nan 0.000 0.541 216 L N 1.833 122.965 121.223 -0.151 0.000 2.325 216 L HA 0.407 4.769 4.340 0.037 0.000 0.284 216 L C -1.853 174.842 176.870 -0.291 0.000 1.089 216 L CA -2.200 52.504 54.840 -0.226 0.000 0.836 216 L CB 1.837 43.813 42.059 -0.139 0.000 1.184 216 L HN 0.012 nan 8.230 nan 0.000 0.444 217 P HA 0.161 nan 4.420 nan 0.000 0.261 217 P C -1.033 176.071 177.300 -0.326 0.000 1.268 217 P CA 0.252 63.087 63.100 -0.442 0.000 0.833 217 P CB -0.007 31.393 31.700 -0.500 0.000 1.231 218 F N -3.569 116.380 119.950 -0.003 0.000 2.773 218 F HA 0.695 5.244 4.527 0.036 0.000 0.314 218 F C -3.293 172.516 175.800 0.014 0.000 1.160 218 F CA -3.652 54.350 58.000 0.003 0.000 0.920 218 F CB -0.463 38.536 39.000 -0.001 0.000 1.323 218 F HN -0.450 nan 8.300 nan 0.000 0.457 219 P HA 0.508 nan 4.420 nan 0.000 0.275 219 P C -1.201 176.200 177.300 0.169 0.000 1.228 219 P CA -0.044 63.173 63.100 0.194 0.000 0.786 219 P CB 1.143 32.874 31.700 0.052 0.000 0.927 220 A N 2.308 125.179 122.820 0.085 0.000 2.414 220 A HA 0.680 5.022 4.320 0.037 0.000 0.306 220 A C -1.336 176.188 177.584 -0.100 0.000 1.054 220 A CA -0.457 51.606 52.037 0.043 0.000 0.724 220 A CB 0.617 19.664 19.000 0.078 0.000 1.267 220 A HN 0.324 nan 8.150 nan 0.000 0.418 221 F N 1.932 121.900 119.950 0.031 0.000 2.410 221 F HA 0.326 4.875 4.527 0.036 0.000 0.349 221 F C 0.842 176.652 175.800 0.017 0.000 1.117 221 F CA -0.298 57.723 58.000 0.034 0.000 1.104 221 F CB 1.469 40.460 39.000 -0.015 0.000 1.122 221 F HN 0.635 nan 8.300 nan 0.000 0.483 222 N N 3.606 122.434 118.700 0.213 0.000 2.508 222 N HA 0.075 4.837 4.740 0.037 0.000 0.253 222 N C 0.470 176.094 175.510 0.189 0.000 1.145 222 N CA 0.144 53.273 53.050 0.130 0.000 0.973 222 N CB 0.747 39.278 38.487 0.072 0.000 1.305 222 N HN 0.426 nan 8.380 nan 0.000 0.506 223 V N 3.413 123.416 119.914 0.149 0.000 2.719 223 V HA -0.134 4.008 4.120 0.037 0.000 0.252 223 V C 2.131 178.287 176.094 0.103 0.000 1.065 223 V CA 1.121 63.489 62.300 0.113 0.000 1.086 223 V CB -0.857 31.022 31.823 0.094 0.000 0.700 223 V HN 0.660 nan 8.190 nan 0.000 0.467 224 N N 0.996 119.758 118.700 0.104 0.000 2.061 224 N HA -0.209 4.553 4.740 0.037 0.000 0.193 224 N C 1.311 176.885 175.510 0.107 0.000 1.030 224 N CA 1.848 54.958 53.050 0.100 0.000 0.856 224 N CB -0.129 38.416 38.487 0.098 0.000 1.023 224 N HN 0.434 nan 8.380 nan 0.000 0.424 225 D N -0.227 120.252 120.400 0.131 0.000 2.325 225 D HA 0.065 4.727 4.640 0.037 0.000 0.225 225 D C -0.277 176.098 176.300 0.125 0.000 1.096 225 D CA 0.130 54.213 54.000 0.138 0.000 0.844 225 D CB 0.029 40.937 40.800 0.179 0.000 0.925 225 D HN 0.156 nan 8.370 nan 0.000 0.513 226 S N 0.245 116.006 115.700 0.101 0.000 2.552 226 S HA -0.003 4.489 4.470 0.037 0.000 0.289 226 S C 1.955 176.584 174.600 0.049 0.000 1.304 226 S CA -0.520 57.718 58.200 0.062 0.000 1.063 226 S CB 1.950 65.161 63.200 0.019 0.000 0.848 226 S HN -0.034 nan 8.310 nan 0.000 0.499 227 V N 3.393 123.314 119.914 0.012 0.000 2.332 227 V HA -0.202 3.940 4.120 0.037 0.000 0.248 227 V C 2.635 178.783 176.094 0.090 0.000 1.055 227 V CA 2.283 64.572 62.300 -0.019 0.000 1.038 227 V CB -1.402 30.233 31.823 -0.314 0.000 0.651 227 V HN 1.087 nan 8.190 nan 0.000 0.450 228 T N -2.787 111.740 114.554 -0.045 0.000 3.113 228 T HA -0.096 4.276 4.350 0.037 0.000 0.263 228 T C 1.668 176.331 174.700 -0.062 0.000 1.143 228 T CA 0.943 62.891 62.100 -0.252 0.000 1.090 228 T CB 0.087 68.700 68.868 -0.425 0.000 0.922 228 T HN 0.320 nan 8.240 nan 0.000 0.521 229 K N 1.826 122.256 120.400 0.050 0.000 2.183 229 K HA 0.060 4.402 4.320 0.037 0.000 0.218 229 K C 2.759 179.429 176.600 0.116 0.000 1.025 229 K CA 1.384 57.714 56.287 0.070 0.000 0.944 229 K CB -0.684 31.848 32.500 0.053 0.000 0.936 229 K HN 0.426 nan 8.250 nan 0.000 0.460 230 S N 1.620 117.375 115.700 0.090 0.000 2.372 230 S HA -0.137 4.355 4.470 0.037 0.000 0.227 230 S C 1.677 176.269 174.600 -0.014 0.000 1.044 230 S CA 1.242 59.472 58.200 0.049 0.000 1.050 230 S CB -0.282 62.949 63.200 0.052 0.000 0.901 230 S HN 0.189 nan 8.310 nan 0.000 0.447 231 K N 0.037 120.441 120.400 0.007 0.000 2.487 231 K HA 0.337 4.679 4.320 0.037 0.000 0.192 231 K C 0.568 176.844 176.600 -0.540 0.000 1.027 231 K CA 0.218 56.369 56.287 -0.227 0.000 1.054 231 K CB -0.210 32.178 32.500 -0.187 0.000 0.824 231 K HN 0.573 nan 8.250 nan 0.000 0.510 232 F N -0.396 119.456 119.950 -0.162 0.000 2.362 232 F HA 0.021 4.574 4.527 0.043 0.000 0.264 232 F C 2.135 177.878 175.800 -0.096 0.000 0.905 232 F CA -0.066 57.901 58.000 -0.055 0.000 1.142 232 F CB -0.272 38.750 39.000 0.036 0.000 1.250 232 F HN -0.071 nan 8.300 nan 0.000 0.771 233 D N 0.960 121.428 120.400 0.114 0.000 2.087 233 D HA -0.190 4.472 4.640 0.037 0.000 0.192 233 D C 1.449 177.699 176.300 -0.083 0.000 0.993 233 D CA 2.098 56.110 54.000 0.020 0.000 0.828 233 D CB -0.373 40.480 40.800 0.088 0.000 0.968 233 D HN 0.119 nan 8.370 nan 0.000 0.448 234 N N 0.121 118.808 118.700 -0.021 0.000 2.120 234 N HA -0.112 4.650 4.740 0.037 0.000 0.188 234 N C 1.638 177.060 175.510 -0.146 0.000 1.024 234 N CA 0.770 53.808 53.050 -0.019 0.000 0.852 234 N CB -0.464 38.016 38.487 -0.011 0.000 1.003 234 N HN 0.258 nan 8.380 nan 0.000 0.424 235 L N -0.628 120.435 121.223 -0.267 0.000 2.051 235 L HA 0.032 4.394 4.340 0.037 0.000 0.202 235 L C 1.556 178.221 176.870 -0.342 0.000 1.097 235 L CA 1.450 56.057 54.840 -0.388 0.000 0.762 235 L CB -0.949 40.716 42.059 -0.657 0.000 0.913 235 L HN 0.054 nan 8.230 nan 0.000 0.447 236 Y N 0.197 120.395 120.300 -0.170 0.000 2.293 236 Y HA 0.037 4.601 4.550 0.024 0.000 0.291 236 Y C 2.455 178.228 175.900 -0.211 0.000 1.137 236 Y CA 0.892 58.907 58.100 -0.141 0.000 1.202 236 Y CB -1.512 36.903 38.460 -0.075 0.000 0.990 236 Y HN 0.294 nan 8.280 nan 0.000 0.537 237 G N -1.055 107.575 108.800 -0.285 0.000 2.421 237 G HA2 -0.232 3.750 3.960 0.037 0.000 0.216 237 G HA3 -0.232 3.750 3.960 0.037 0.000 0.216 237 G C 1.645 176.198 174.900 -0.578 0.000 1.171 237 G CA 1.285 45.913 45.100 -0.787 0.000 0.775 237 G HN 0.472 nan 8.290 nan 0.000 0.543 238 C N -0.273 118.816 119.300 -0.352 0.000 2.446 238 C HA 0.156 4.638 4.460 0.037 0.000 0.279 238 C C 2.743 177.714 174.990 -0.031 0.000 1.366 238 C CA 0.457 59.444 59.018 -0.051 0.000 1.763 238 C CB -0.777 26.961 27.740 -0.003 0.000 1.929 238 C HN 0.540 nan 8.230 nan 0.000 0.509 239 R N 1.193 121.665 120.500 -0.047 0.000 2.159 239 R HA -0.130 4.232 4.340 0.037 0.000 0.237 239 R C 1.873 178.183 176.300 0.017 0.000 1.131 239 R CA 1.431 57.533 56.100 0.003 0.000 0.982 239 R CB -0.069 30.262 30.300 0.051 0.000 0.868 239 R HN 0.641 nan 8.270 nan 0.000 0.453 240 E N -0.939 119.268 120.200 0.011 0.000 2.251 240 E HA -0.029 4.343 4.350 0.037 0.000 0.194 240 E C 1.655 178.281 176.600 0.045 0.000 0.964 240 E CA 1.006 57.423 56.400 0.029 0.000 0.868 240 E CB 0.438 30.160 29.700 0.037 0.000 0.828 240 E HN 0.369 nan 8.360 nan 0.000 0.481 241 S N 0.691 116.432 115.700 0.069 0.000 2.517 241 S HA 0.017 4.509 4.470 0.037 0.000 0.214 241 S C 1.956 176.598 174.600 0.069 0.000 0.991 241 S CA -0.187 58.072 58.200 0.098 0.000 0.906 241 S CB 0.030 63.352 63.200 0.203 0.000 0.789 241 S HN 0.090 nan 8.310 nan 0.000 0.513 242 L N 2.241 123.495 121.223 0.052 0.000 1.994 242 L HA 0.100 4.462 4.340 0.037 0.000 0.208 242 L C 2.337 179.217 176.870 0.015 0.000 1.071 242 L CA 1.708 56.568 54.840 0.032 0.000 0.745 242 L CB -0.844 41.227 42.059 0.019 0.000 0.892 242 L HN 0.196 nan 8.230 nan 0.000 0.431 243 V N 0.179 120.098 119.914 0.009 0.000 2.515 243 V HA -0.242 3.900 4.120 0.037 0.000 0.250 243 V C 2.357 178.453 176.094 0.003 0.000 1.058 243 V CA 1.739 64.039 62.300 -0.001 0.000 1.064 243 V CB -0.799 31.021 31.823 -0.005 0.000 0.675 243 V HN 0.585 nan 8.190 nan 0.000 0.461 244 D N 0.813 121.222 120.400 0.015 0.000 2.097 244 D HA -0.122 4.540 4.640 0.037 0.000 0.195 244 D C 2.205 178.512 176.300 0.012 0.000 0.989 244 D CA 1.759 55.770 54.000 0.018 0.000 0.827 244 D CB -0.446 40.375 40.800 0.034 0.000 0.966 244 D HN 0.353 nan 8.370 nan 0.000 0.456 245 G N 0.530 109.338 108.800 0.013 0.000 2.421 245 G HA2 -0.185 3.797 3.960 0.037 0.000 0.216 245 G HA3 -0.185 3.797 3.960 0.037 0.000 0.216 245 G C 1.987 176.882 174.900 -0.009 0.000 1.171 245 G CA 0.753 45.854 45.100 0.003 0.000 0.775 245 G HN 0.383 nan 8.290 nan 0.000 0.543 246 I N 0.300 120.864 120.570 -0.010 0.000 2.226 246 I HA -0.166 4.026 4.170 0.037 0.000 0.245 246 I C 2.792 178.894 176.117 -0.026 0.000 1.100 246 I CA 1.262 62.550 61.300 -0.021 0.000 1.374 246 I CB -0.160 37.826 38.000 -0.023 0.000 1.057 246 I HN 0.130 nan 8.210 nan 0.000 0.413 247 K N 0.393 120.781 120.400 -0.020 0.000 2.155 247 K HA -0.061 4.281 4.320 0.037 0.000 0.203 247 K C 2.258 178.846 176.600 -0.020 0.000 1.052 247 K CA 0.847 57.121 56.287 -0.021 0.000 0.948 247 K CB -0.062 32.430 32.500 -0.015 0.000 0.728 247 K HN 0.278 nan 8.250 nan 0.000 0.448 248 R N 0.406 120.897 120.500 -0.014 0.000 2.092 248 R HA -0.054 4.308 4.340 0.037 0.000 0.231 248 R C 2.336 178.620 176.300 -0.026 0.000 1.119 248 R CA 1.132 57.224 56.100 -0.013 0.000 0.970 248 R CB -0.252 30.046 30.300 -0.003 0.000 0.864 248 R HN 0.152 nan 8.270 nan 0.000 0.440 249 A N 0.541 123.341 122.820 -0.034 0.000 1.873 249 A HA -0.145 4.197 4.320 0.037 0.000 0.215 249 A C 2.107 179.655 177.584 -0.060 0.000 1.186 249 A CA 2.083 54.090 52.037 -0.051 0.000 0.616 249 A CB -0.363 18.603 19.000 -0.057 0.000 0.823 249 A HN 0.471 nan 8.150 nan 0.000 0.442 250 T N -5.801 108.720 114.554 -0.055 0.000 2.986 250 T HA 0.161 4.533 4.350 0.037 0.000 0.264 250 T C 0.104 174.774 174.700 -0.050 0.000 0.964 250 T CA 0.715 62.776 62.100 -0.063 0.000 0.895 250 T CB 0.005 68.833 68.868 -0.068 0.000 1.163 250 T HN 0.394 nan 8.240 nan 0.000 0.517 251 D N 1.042 121.419 120.400 -0.039 0.000 2.792 251 D HA -0.137 4.525 4.640 0.037 0.000 0.231 251 D C 0.156 176.437 176.300 -0.033 0.000 1.160 251 D CA 0.451 54.432 54.000 -0.031 0.000 0.697 251 D CB -1.488 39.295 40.800 -0.028 0.000 1.070 251 D HN 0.498 nan 8.370 nan 0.000 0.426 252 V N 0.628 120.519 119.914 -0.039 0.000 2.715 252 V HA 0.140 4.282 4.120 0.037 0.000 0.299 252 V C 0.736 176.807 176.094 -0.038 0.000 1.054 252 V CA -0.396 61.879 62.300 -0.042 0.000 1.077 252 V CB 1.421 33.214 31.823 -0.050 0.000 0.972 252 V HN 0.199 nan 8.190 nan 0.000 0.484 253 M N 6.696 126.273 119.600 -0.038 0.000 2.252 253 M HA 0.187 4.689 4.480 0.037 0.000 0.348 253 M C 0.499 176.770 176.300 -0.048 0.000 1.334 253 M CA 0.523 55.800 55.300 -0.038 0.000 1.071 253 M CB 0.518 33.097 32.600 -0.035 0.000 1.763 253 M HN 0.594 nan 8.290 nan 0.000 0.452 254 I N 3.212 123.755 120.570 -0.046 0.000 2.585 254 I HA 0.122 4.314 4.170 0.037 0.000 0.254 254 I C 1.037 177.118 176.117 -0.059 0.000 1.129 254 I CA 0.419 61.685 61.300 -0.057 0.000 1.455 254 I CB -1.547 36.424 38.000 -0.049 0.000 1.111 254 I HN 0.783 nan 8.210 nan 0.000 0.433 255 A N 0.951 123.745 122.820 -0.044 0.000 2.546 255 A HA 0.350 4.692 4.320 0.037 0.000 0.243 255 A C 1.507 179.061 177.584 -0.050 0.000 1.063 255 A CA 0.980 52.993 52.037 -0.039 0.000 0.757 255 A CB -0.480 18.504 19.000 -0.027 0.000 0.991 255 A HN 0.805 nan 8.150 nan 0.000 0.503 256 G N 1.722 110.489 108.800 -0.056 0.000 2.225 256 G HA2 -0.214 3.768 3.960 0.037 0.000 0.254 256 G HA3 -0.214 3.768 3.960 0.037 0.000 0.254 256 G C 0.379 175.220 174.900 -0.098 0.000 0.988 256 G CA 0.545 45.607 45.100 -0.064 0.000 0.625 256 G HN 0.772 nan 8.290 nan 0.000 0.527 257 K N 0.323 120.651 120.400 -0.120 0.000 2.126 257 K HA 0.582 4.924 4.320 0.037 0.000 0.257 257 K C 0.502 176.949 176.600 -0.254 0.000 1.007 257 K CA -0.519 55.665 56.287 -0.172 0.000 0.928 257 K CB 1.082 33.486 32.500 -0.159 0.000 1.013 257 K HN 0.306 nan 8.250 nan 0.000 0.473 258 I N 1.751 122.100 120.570 -0.368 0.000 2.307 258 I HA 0.172 4.364 4.170 0.037 0.000 0.289 258 I C -0.044 175.722 176.117 -0.586 0.000 1.021 258 I CA -0.556 60.376 61.300 -0.613 0.000 1.224 258 I CB 1.311 38.786 38.000 -0.876 0.000 1.376 258 I HN 0.459 nan 8.210 nan 0.000 0.470 259 A N 6.547 129.072 122.820 -0.492 0.000 2.288 259 A HA 0.637 4.979 4.320 0.037 0.000 0.320 259 A C -0.716 176.650 177.584 -0.364 0.000 1.217 259 A CA -0.529 51.272 52.037 -0.393 0.000 0.840 259 A CB 1.554 20.405 19.000 -0.247 0.000 1.179 259 A HN 0.497 nan 8.150 nan 0.000 0.504 260 V N 4.407 124.104 119.914 -0.362 0.000 2.398 260 V HA 0.583 4.725 4.120 0.037 0.000 0.286 260 V C -0.792 175.264 176.094 -0.063 0.000 1.026 260 V CA -0.340 61.870 62.300 -0.151 0.000 0.868 260 V CB 1.467 33.221 31.823 -0.114 0.000 0.982 260 V HN 0.649 nan 8.190 nan 0.000 0.443 261 V N 7.350 127.262 119.914 -0.002 0.000 2.347 261 V HA 0.648 4.790 4.120 0.037 0.000 0.280 261 V C 0.598 176.741 176.094 0.081 0.000 1.021 261 V CA -0.223 62.096 62.300 0.031 0.000 0.847 261 V CB 1.351 33.184 31.823 0.016 0.000 0.990 261 V HN 1.075 nan 8.190 nan 0.000 0.444 262 A N 4.340 127.216 122.820 0.094 0.000 2.310 262 A HA 0.777 5.119 4.320 0.037 0.000 0.300 262 A C 0.702 178.350 177.584 0.107 0.000 1.269 262 A CA 0.409 52.508 52.037 0.102 0.000 0.909 262 A CB -0.152 18.909 19.000 0.101 0.000 1.144 262 A HN 1.948 nan 8.150 nan 0.000 0.540 263 G N 0.617 109.492 108.800 0.125 0.000 3.067 263 G HA2 0.023 4.005 3.960 0.037 0.000 0.686 263 G HA3 0.023 4.005 3.960 0.037 0.000 0.686 263 G C -0.825 174.189 174.900 0.191 0.000 1.119 263 G CA -0.203 44.977 45.100 0.134 0.000 0.790 263 G HN 1.572 nan 8.290 nan 0.000 0.605 264 Y N 2.575 122.895 120.300 0.033 0.000 2.658 264 Y HA 0.519 5.084 4.550 0.026 0.000 0.273 264 Y C 1.223 177.140 175.900 0.028 0.000 0.992 264 Y CA 0.373 58.492 58.100 0.031 0.000 1.105 264 Y CB 0.106 38.594 38.460 0.047 0.000 1.188 264 Y HN 0.978 nan 8.280 nan 0.000 0.616 265 G N 0.114 108.878 108.800 -0.060 0.000 2.485 265 G HA2 -0.012 3.970 3.960 0.037 0.000 0.260 265 G HA3 -0.012 3.970 3.960 0.037 0.000 0.260 265 G C 0.603 175.380 174.900 -0.205 0.000 1.459 265 G CA 0.190 45.234 45.100 -0.094 0.000 1.060 265 G HN 0.270 nan 8.290 nan 0.000 0.546 266 D N -1.071 119.245 120.400 -0.141 0.000 2.144 266 D HA -0.108 4.554 4.640 0.037 0.000 0.200 266 D C 2.730 178.927 176.300 -0.171 0.000 0.978 266 D CA 0.710 54.602 54.000 -0.180 0.000 0.833 266 D CB -0.262 40.458 40.800 -0.134 0.000 0.961 266 D HN 0.056 nan 8.370 nan 0.000 0.470 267 V N 1.189 121.046 119.914 -0.095 0.000 2.307 267 V HA -0.142 4.000 4.120 0.037 0.000 0.245 267 V C 2.606 178.650 176.094 -0.084 0.000 1.045 267 V CA 2.045 64.311 62.300 -0.057 0.000 1.024 267 V CB -0.993 30.835 31.823 0.009 0.000 0.651 267 V HN 0.230 nan 8.190 nan 0.000 0.449 268 G N -0.474 108.268 108.800 -0.096 0.000 2.422 268 G HA2 -0.250 3.732 3.960 0.037 0.000 0.218 268 G HA3 -0.250 3.732 3.960 0.037 0.000 0.218 268 G C 1.667 176.451 174.900 -0.194 0.000 1.146 268 G CA 0.871 45.924 45.100 -0.078 0.000 0.769 268 G HN 0.463 nan 8.290 nan 0.000 0.547 269 K N 0.066 120.180 120.400 -0.476 0.000 2.032 269 K HA -0.055 4.287 4.320 0.037 0.000 0.209 269 K C 2.770 179.262 176.600 -0.180 0.000 1.048 269 K CA 1.076 57.045 56.287 -0.530 0.000 0.927 269 K CB -0.453 31.707 32.500 -0.566 0.000 0.712 269 K HN 0.268 nan 8.250 nan 0.000 0.441 270 G N 0.932 109.629 108.800 -0.173 0.000 2.421 270 G HA2 -0.276 3.706 3.960 0.037 0.000 0.216 270 G HA3 -0.276 3.706 3.960 0.037 0.000 0.216 270 G C 1.658 176.529 174.900 -0.049 0.000 1.171 270 G CA 1.111 46.150 45.100 -0.103 0.000 0.775 270 G HN 0.332 nan 8.290 nan 0.000 0.543 271 C N 0.993 120.263 119.300 -0.050 0.000 2.413 271 C HA 0.116 4.598 4.460 0.037 0.000 0.277 271 C C 3.565 178.525 174.990 -0.050 0.000 1.228 271 C CA 0.944 59.942 59.018 -0.033 0.000 1.731 271 C CB -1.095 26.631 27.740 -0.023 0.000 2.042 271 C HN 0.580 nan 8.230 nan 0.000 0.468 272 A N -0.219 122.564 122.820 -0.062 0.000 1.917 272 A HA -0.319 4.023 4.320 0.037 0.000 0.219 272 A C 2.145 179.673 177.584 -0.095 0.000 1.182 272 A CA 2.226 54.153 52.037 -0.184 0.000 0.633 272 A CB -0.821 18.030 19.000 -0.249 0.000 0.819 272 A HN 0.764 nan 8.150 nan 0.000 0.448 273 Q N -0.153 119.670 119.800 0.038 0.000 2.172 273 Q HA -0.135 4.227 4.340 0.037 0.000 0.200 273 Q C 2.219 178.260 176.000 0.067 0.000 0.964 273 Q CA 1.842 57.718 55.803 0.121 0.000 0.855 273 Q CB -0.150 28.661 28.738 0.123 0.000 0.918 273 Q HN 0.793 nan 8.270 nan 0.000 0.444 274 S N -0.484 115.231 115.700 0.026 0.000 2.414 274 S HA -0.045 4.447 4.470 0.037 0.000 0.227 274 S C 1.881 176.481 174.600 0.001 0.000 1.022 274 S CA 0.405 58.615 58.200 0.017 0.000 0.958 274 S CB -0.280 62.926 63.200 0.010 0.000 0.797 274 S HN 0.416 nan 8.310 nan 0.000 0.493 275 L N 0.682 121.890 121.223 -0.025 0.000 2.056 275 L HA 0.075 4.437 4.340 0.037 0.000 0.207 275 L C 3.054 179.912 176.870 -0.019 0.000 1.078 275 L CA 1.371 56.184 54.840 -0.044 0.000 0.749 275 L CB -0.493 41.512 42.059 -0.090 0.000 0.901 275 L HN 0.259 nan 8.230 nan 0.000 0.433 276 R N 0.782 121.290 120.500 0.014 0.000 2.091 276 R HA -0.117 4.245 4.340 0.037 0.000 0.238 276 R C 2.202 178.542 176.300 0.067 0.000 1.136 276 R CA 1.616 57.768 56.100 0.087 0.000 0.959 276 R CB -1.143 29.304 30.300 0.246 0.000 0.856 276 R HN 0.321 nan 8.270 nan 0.000 0.437 277 G N -0.248 108.587 108.800 0.059 0.000 2.462 277 G HA2 -0.183 3.799 3.960 0.037 0.000 0.220 277 G HA3 -0.183 3.799 3.960 0.037 0.000 0.220 277 G C 1.138 176.052 174.900 0.023 0.000 1.121 277 G CA 0.783 45.909 45.100 0.043 0.000 0.758 277 G HN 0.357 nan 8.290 nan 0.000 0.559 278 L N 0.038 121.267 121.223 0.011 0.000 2.628 278 L HA 0.322 4.684 4.340 0.037 0.000 0.229 278 L C 1.745 178.611 176.870 -0.008 0.000 1.137 278 L CA 0.378 55.217 54.840 -0.002 0.000 0.909 278 L CB 0.284 42.336 42.059 -0.011 0.000 1.137 278 L HN 0.338 nan 8.230 nan 0.000 0.470 279 G N 0.161 108.960 108.800 -0.000 0.000 2.130 279 G HA2 -0.202 3.780 3.960 0.037 0.000 0.216 279 G HA3 -0.202 3.780 3.960 0.037 0.000 0.216 279 G C 0.276 175.162 174.900 -0.023 0.000 0.999 279 G CA -0.066 45.031 45.100 -0.004 0.000 0.686 279 G HN 0.437 nan 8.290 nan 0.000 0.515 280 A N -0.062 122.737 122.820 -0.036 0.000 2.322 280 A HA 0.743 5.085 4.320 0.037 0.000 0.269 280 A C 0.764 178.312 177.584 -0.060 0.000 1.094 280 A CA 0.742 52.733 52.037 -0.076 0.000 0.807 280 A CB 0.504 19.442 19.000 -0.103 0.000 1.047 280 A HN 0.750 nan 8.150 nan 0.000 0.487 281 T N 1.779 116.266 114.554 -0.111 0.000 2.761 281 T HA 0.416 4.788 4.350 0.037 0.000 0.296 281 T C -0.180 174.411 174.700 -0.181 0.000 0.934 281 T CA 0.052 62.095 62.100 -0.095 0.000 1.091 281 T CB 0.277 69.056 68.868 -0.149 0.000 0.896 281 T HN 0.387 nan 8.240 nan 0.000 0.515 282 V N 5.093 125.003 119.914 -0.008 0.000 2.417 282 V HA 0.439 4.581 4.120 0.037 0.000 0.291 282 V C -0.725 175.484 176.094 0.191 0.000 1.024 282 V CA -0.949 61.308 62.300 -0.072 0.000 0.861 282 V CB 1.142 32.820 31.823 -0.242 0.000 0.985 282 V HN 0.768 nan 8.190 nan 0.000 0.436 283 W N 3.400 124.639 121.300 -0.101 0.000 2.639 283 W HA 0.803 5.483 4.660 0.033 0.000 0.347 283 W C -0.505 175.957 176.519 -0.095 0.000 1.067 283 W CA -1.102 56.207 57.345 -0.061 0.000 1.218 283 W CB 1.663 31.102 29.460 -0.034 0.000 1.393 283 W HN 0.244 nan 8.180 nan 0.000 0.557 284 V N 1.418 121.424 119.914 0.153 0.000 2.876 284 V HA 0.630 4.772 4.120 0.037 0.000 0.312 284 V C -0.400 175.723 176.094 0.049 0.000 1.085 284 V CA -0.730 61.602 62.300 0.053 0.000 0.945 284 V CB 2.306 34.088 31.823 -0.068 0.000 1.017 284 V HN 0.467 nan 8.190 nan 0.000 0.428 285 T N 3.267 117.861 114.554 0.066 0.000 2.863 285 T HA 0.662 5.034 4.350 0.037 0.000 0.285 285 T C -1.087 173.653 174.700 0.067 0.000 1.009 285 T CA -0.420 61.716 62.100 0.059 0.000 0.989 285 T CB 1.351 70.268 68.868 0.081 0.000 1.004 285 T HN 0.659 nan 8.240 nan 0.000 0.455 286 E N 1.415 121.646 120.200 0.052 0.000 2.375 286 E HA 0.271 4.643 4.350 0.037 0.000 0.280 286 E C 0.119 176.751 176.600 0.053 0.000 0.972 286 E CA -0.446 55.994 56.400 0.067 0.000 0.782 286 E CB 1.839 31.580 29.700 0.069 0.000 1.229 286 E HN 0.601 nan 8.360 nan 0.000 0.439 287 I N -2.077 118.530 120.570 0.062 0.000 3.854 287 I HA 0.312 4.504 4.170 0.037 0.000 0.312 287 I C 0.622 176.767 176.117 0.047 0.000 1.273 287 I CA 0.122 61.454 61.300 0.052 0.000 1.298 287 I CB 0.425 38.460 38.000 0.059 0.000 1.071 287 I HN 0.075 nan 8.210 nan 0.000 0.428 288 D N 2.993 123.426 120.400 0.055 0.000 2.274 288 D HA 0.242 4.904 4.640 0.037 0.000 0.239 288 D C -1.678 174.649 176.300 0.045 0.000 1.104 288 D CA -2.247 51.784 54.000 0.051 0.000 0.840 288 D CB 2.135 42.972 40.800 0.062 0.000 1.100 288 D HN -0.006 nan 8.370 nan 0.000 0.477 289 P HA -0.027 nan 4.420 nan 0.000 0.222 289 P C 1.828 179.144 177.300 0.025 0.000 1.153 289 P CA 0.462 63.574 63.100 0.020 0.000 0.798 289 P CB 0.687 32.394 31.700 0.012 0.000 0.796 290 I N -0.180 120.411 120.570 0.036 0.000 2.179 290 I HA -0.237 3.955 4.170 0.037 0.000 0.242 290 I C 2.541 178.698 176.117 0.067 0.000 1.088 290 I CA 1.414 62.739 61.300 0.042 0.000 1.357 290 I CB -0.930 37.094 38.000 0.041 0.000 1.051 290 I HN 0.018 nan 8.210 nan 0.000 0.409 291 C N 0.768 120.125 119.300 0.095 0.000 2.440 291 C HA -0.070 4.412 4.460 0.037 0.000 0.278 291 C C 3.195 178.268 174.990 0.139 0.000 1.295 291 C CA 0.682 59.810 59.018 0.183 0.000 1.738 291 C CB -1.256 26.608 27.740 0.206 0.000 1.987 291 C HN 0.592 nan 8.230 nan 0.000 0.492 292 A N 0.365 123.218 122.820 0.055 0.000 1.883 292 A HA -0.177 4.165 4.320 0.037 0.000 0.217 292 A C 2.043 179.596 177.584 -0.052 0.000 1.186 292 A CA 1.777 53.801 52.037 -0.022 0.000 0.624 292 A CB -0.706 18.284 19.000 -0.016 0.000 0.822 292 A HN 0.477 nan 8.150 nan 0.000 0.444 293 L N -0.119 121.095 121.223 -0.016 0.000 2.083 293 L HA -0.191 4.171 4.340 0.037 0.000 0.209 293 L C 2.543 179.400 176.870 -0.023 0.000 1.083 293 L CA 2.175 57.001 54.840 -0.024 0.000 0.752 293 L CB -0.716 41.338 42.059 -0.009 0.000 0.899 293 L HN 0.516 nan 8.230 nan 0.000 0.433 294 Q N -0.787 119.029 119.800 0.026 0.000 2.030 294 Q HA -0.242 4.120 4.340 0.037 0.000 0.204 294 Q C 2.277 178.266 176.000 -0.018 0.000 0.986 294 Q CA 1.885 57.733 55.803 0.075 0.000 0.843 294 Q CB -0.471 28.413 28.738 0.242 0.000 0.904 294 Q HN 0.679 nan 8.270 nan 0.000 0.420 295 A N 1.199 123.867 122.820 -0.252 0.000 1.883 295 A HA -0.192 4.150 4.320 0.037 0.000 0.217 295 A C 2.331 179.784 177.584 -0.218 0.000 1.186 295 A CA 1.824 53.559 52.037 -0.504 0.000 0.624 295 A CB -0.939 17.583 19.000 -0.797 0.000 0.822 295 A HN 0.429 nan 8.150 nan 0.000 0.444 296 A N -1.100 121.625 122.820 -0.157 0.000 1.933 296 A HA -0.110 4.232 4.320 0.037 0.000 0.218 296 A C 2.079 179.581 177.584 -0.136 0.000 1.175 296 A CA 1.897 53.861 52.037 -0.121 0.000 0.628 296 A CB -0.462 18.483 19.000 -0.092 0.000 0.814 296 A HN 0.433 nan 8.150 nan 0.000 0.444 297 M N 0.022 119.553 119.600 -0.116 0.000 2.460 297 M HA -0.038 4.464 4.480 0.037 0.000 0.263 297 M C 0.821 177.029 176.300 -0.154 0.000 1.071 297 M CA 0.893 56.133 55.300 -0.101 0.000 1.096 297 M CB -0.914 31.655 32.600 -0.052 0.000 1.408 297 M HN 0.352 nan 8.290 nan 0.000 0.463 298 E N -0.405 119.634 120.200 -0.270 0.000 2.479 298 E HA 0.258 4.630 4.350 0.037 0.000 0.193 298 E C 1.393 177.633 176.600 -0.600 0.000 1.049 298 E CA 0.521 56.653 56.400 -0.447 0.000 0.870 298 E CB 0.000 29.309 29.700 -0.653 0.000 0.944 298 E HN 0.584 nan 8.360 nan 0.000 0.492 299 G N 0.953 109.514 108.800 -0.399 0.000 2.157 299 G HA2 -0.260 3.722 3.960 0.037 0.000 0.239 299 G HA3 -0.260 3.722 3.960 0.037 0.000 0.239 299 G C -0.301 174.511 174.900 -0.146 0.000 0.982 299 G CA -0.228 44.720 45.100 -0.253 0.000 0.650 299 G HN 0.145 nan 8.290 nan 0.000 0.527 300 Y N 1.257 121.539 120.300 -0.029 0.000 2.304 300 Y HA 0.687 5.244 4.550 0.012 0.000 0.328 300 Y C 1.112 176.990 175.900 -0.038 0.000 1.123 300 Y CA -1.584 56.513 58.100 -0.005 0.000 1.218 300 Y CB 0.620 39.044 38.460 -0.060 0.000 1.207 300 Y HN 0.004 nan 8.280 nan 0.000 0.495 301 R N 1.844 122.440 120.500 0.160 0.000 2.438 301 R HA 0.321 4.683 4.340 0.037 0.000 0.287 301 R C -0.953 175.276 176.300 -0.117 0.000 1.077 301 R CA -0.651 55.402 56.100 -0.079 0.000 1.034 301 R CB 0.673 30.792 30.300 -0.301 0.000 0.993 301 R HN 0.415 nan 8.270 nan 0.000 0.459 302 V N 4.569 124.387 119.914 -0.160 0.000 2.364 302 V HA 0.306 4.448 4.120 0.037 0.000 0.272 302 V C 0.394 176.359 176.094 -0.214 0.000 1.036 302 V CA -0.531 61.685 62.300 -0.139 0.000 0.880 302 V CB 1.268 33.024 31.823 -0.111 0.000 0.991 302 V HN 0.595 nan 8.190 nan 0.000 0.460 303 V N 1.971 121.777 119.914 -0.182 0.000 3.141 303 V HA 0.836 4.978 4.120 0.037 0.000 0.312 303 V C 0.072 176.131 176.094 -0.057 0.000 1.157 303 V CA -0.625 61.537 62.300 -0.231 0.000 1.041 303 V CB 2.062 33.684 31.823 -0.335 0.000 1.071 303 V HN 0.795 nan 8.190 nan 0.000 0.441 304 T N -0.422 114.122 114.554 -0.017 0.000 2.904 304 T HA 0.350 4.722 4.350 0.037 0.000 0.290 304 T C 0.790 175.562 174.700 0.121 0.000 1.018 304 T CA 0.211 62.348 62.100 0.061 0.000 1.075 304 T CB 1.125 70.039 68.868 0.078 0.000 0.986 304 T HN 0.884 nan 8.240 nan 0.000 0.523 305 M N 0.899 120.539 119.600 0.068 0.000 2.159 305 M HA -0.014 4.488 4.480 0.037 0.000 0.263 305 M C 1.844 178.158 176.300 0.024 0.000 1.063 305 M CA 1.645 56.928 55.300 -0.029 0.000 1.110 305 M CB -1.058 31.354 32.600 -0.313 0.000 1.374 305 M HN 0.815 nan 8.290 nan 0.000 0.411 306 E N -1.230 119.060 120.200 0.150 0.000 2.077 306 E HA -0.229 4.143 4.350 0.037 0.000 0.193 306 E C 1.872 178.580 176.600 0.180 0.000 0.989 306 E CA 1.715 58.245 56.400 0.218 0.000 0.800 306 E CB -0.790 29.030 29.700 0.201 0.000 0.746 306 E HN 0.717 nan 8.360 nan 0.000 0.452 307 Y N 0.470 120.808 120.300 0.064 0.000 2.242 307 Y HA -0.147 4.423 4.550 0.035 0.000 0.291 307 Y C 2.122 178.090 175.900 0.114 0.000 1.137 307 Y CA 1.527 59.651 58.100 0.041 0.000 1.181 307 Y CB -0.254 38.176 38.460 -0.050 0.000 0.989 307 Y HN 0.042 nan 8.280 nan 0.000 0.527 308 A N 0.275 123.249 122.820 0.257 0.000 1.970 308 A HA 0.036 4.378 4.320 0.037 0.000 0.216 308 A C 2.361 180.146 177.584 0.336 0.000 1.170 308 A CA 1.164 53.424 52.037 0.372 0.000 0.645 308 A CB -1.309 17.974 19.000 0.472 0.000 0.816 308 A HN 0.571 nan 8.150 nan 0.000 0.447 309 A N 1.271 124.256 122.820 0.274 0.000 1.948 309 A HA -0.222 4.120 4.320 0.037 0.000 0.220 309 A C 1.607 179.298 177.584 0.178 0.000 1.177 309 A CA 2.012 54.187 52.037 0.231 0.000 0.636 309 A CB -0.503 18.553 19.000 0.094 0.000 0.815 309 A HN 0.660 nan 8.150 nan 0.000 0.449 310 D N -1.780 118.667 120.400 0.078 0.000 2.349 310 D HA 0.082 4.744 4.640 0.037 0.000 0.214 310 D C 1.199 177.511 176.300 0.020 0.000 1.063 310 D CA 0.486 54.496 54.000 0.017 0.000 0.847 310 D CB 0.057 40.836 40.800 -0.035 0.000 0.933 310 D HN 0.501 nan 8.370 nan 0.000 0.513 311 K N -0.216 120.217 120.400 0.055 0.000 2.424 311 K HA 0.362 4.704 4.320 0.037 0.000 0.198 311 K C 0.887 177.433 176.600 -0.090 0.000 1.190 311 K CA 0.140 56.434 56.287 0.011 0.000 0.935 311 K CB 1.084 33.633 32.500 0.081 0.000 1.087 311 K HN 0.077 nan 8.250 nan 0.000 0.524 312 A N 1.362 124.097 122.820 -0.143 0.000 2.287 312 A HA 0.152 4.494 4.320 0.037 0.000 0.273 312 A C 0.015 177.408 177.584 -0.317 0.000 1.091 312 A CA -0.257 51.501 52.037 -0.465 0.000 0.817 312 A CB 0.346 18.819 19.000 -0.879 0.000 1.069 312 A HN 0.078 nan 8.150 nan 0.000 0.492 313 D N -0.398 119.777 120.400 -0.375 0.000 2.323 313 D HA 0.176 4.838 4.640 0.037 0.000 0.218 313 D C -0.044 176.153 176.300 -0.171 0.000 0.973 313 D CA 1.223 55.102 54.000 -0.202 0.000 0.890 313 D CB 0.317 41.003 40.800 -0.190 0.000 1.011 313 D HN 0.465 nan 8.370 nan 0.000 0.499 314 I N 0.505 120.868 120.570 -0.345 0.000 2.533 314 I HA 0.271 4.463 4.170 0.037 0.000 0.290 314 I C -1.193 174.703 176.117 -0.367 0.000 1.056 314 I CA -0.686 60.494 61.300 -0.200 0.000 1.057 314 I CB 2.104 40.009 38.000 -0.158 0.000 1.240 314 I HN -0.307 nan 8.210 nan 0.000 0.423 315 F N 5.306 125.217 119.950 -0.065 0.000 2.482 315 F HA 0.650 5.203 4.527 0.042 0.000 0.331 315 F C -0.291 175.492 175.800 -0.028 0.000 1.115 315 F CA -0.982 56.992 58.000 -0.044 0.000 0.955 315 F CB 2.046 41.023 39.000 -0.038 0.000 1.136 315 F HN -0.042 nan 8.300 nan 0.000 0.452 316 V N 1.765 121.756 119.914 0.129 0.000 2.482 316 V HA 0.345 4.487 4.120 0.037 0.000 0.295 316 V C -0.374 175.776 176.094 0.093 0.000 1.026 316 V CA -0.943 61.407 62.300 0.083 0.000 0.856 316 V CB 1.885 33.727 31.823 0.031 0.000 1.001 316 V HN 0.822 nan 8.190 nan 0.000 0.424 317 T N 1.510 116.122 114.554 0.096 0.000 2.780 317 T HA 0.704 5.076 4.350 0.037 0.000 0.294 317 T C 0.288 175.038 174.700 0.085 0.000 0.949 317 T CA 0.083 62.240 62.100 0.095 0.000 1.074 317 T CB 1.661 70.589 68.868 0.101 0.000 0.910 317 T HN 1.037 nan 8.240 nan 0.000 0.501 318 A N 2.658 125.529 122.820 0.084 0.000 2.843 318 A HA 0.470 4.812 4.320 0.037 0.000 0.248 318 A C 1.345 178.975 177.584 0.078 0.000 0.904 318 A CA -0.003 52.078 52.037 0.073 0.000 1.091 318 A CB -0.174 18.858 19.000 0.053 0.000 1.208 318 A HN 0.995 nan 8.150 nan 0.000 0.476 319 T N -4.873 109.736 114.554 0.093 0.000 3.023 319 T HA 0.386 4.758 4.350 0.037 0.000 0.249 319 T C 1.622 176.378 174.700 0.093 0.000 1.050 319 T CA 1.148 63.304 62.100 0.093 0.000 1.088 319 T CB 0.012 68.942 68.868 0.104 0.000 0.946 319 T HN 1.798 nan 8.240 nan 0.000 0.480 320 G N 1.678 110.548 108.800 0.117 0.000 2.155 320 G HA2 -0.272 3.710 3.960 0.037 0.000 0.257 320 G HA3 -0.272 3.710 3.960 0.037 0.000 0.257 320 G C 0.117 175.103 174.900 0.144 0.000 0.983 320 G CA 0.388 45.569 45.100 0.134 0.000 0.676 320 G HN 0.757 nan 8.290 nan 0.000 0.528 321 N N -0.973 117.817 118.700 0.149 0.000 2.643 321 N HA 0.627 5.389 4.740 0.037 0.000 0.305 321 N C -0.648 175.011 175.510 0.248 0.000 1.283 321 N CA -0.801 52.349 53.050 0.167 0.000 0.946 321 N CB 0.807 39.377 38.487 0.137 0.000 1.149 321 N HN 0.144 nan 8.380 nan 0.000 0.600 322 Y N 0.218 120.578 120.300 0.100 0.000 2.352 322 Y HA 0.280 4.852 4.550 0.037 0.000 0.339 322 Y C -0.094 175.924 175.900 0.196 0.000 0.992 322 Y CA -0.160 57.995 58.100 0.092 0.000 1.100 322 Y CB 0.111 38.550 38.460 -0.035 0.000 1.192 322 Y HN 0.733 nan 8.280 nan 0.000 0.458 323 H N 3.200 122.049 119.070 -0.369 0.000 2.677 323 H HA -0.185 4.392 4.556 0.036 0.000 0.321 323 H C 0.608 175.926 175.328 -0.016 0.000 1.171 323 H CA 0.370 56.239 56.048 -0.298 0.000 1.139 323 H CB -0.892 28.571 29.762 -0.498 0.000 1.515 323 H HN 0.564 nan 8.280 nan 0.000 0.423 324 V N 0.332 120.331 119.914 0.141 0.000 2.719 324 V HA -0.052 4.090 4.120 0.037 0.000 0.252 324 V C 1.320 177.499 176.094 0.141 0.000 1.065 324 V CA 1.506 63.893 62.300 0.145 0.000 1.086 324 V CB 0.239 32.135 31.823 0.122 0.000 0.700 324 V HN 0.314 nan 8.190 nan 0.000 0.467 325 I N 2.000 122.645 120.570 0.125 0.000 2.382 325 I HA 0.333 4.525 4.170 0.037 0.000 0.285 325 I C -0.317 175.886 176.117 0.142 0.000 1.007 325 I CA -0.447 60.960 61.300 0.177 0.000 1.142 325 I CB 1.337 39.350 38.000 0.022 0.000 1.289 325 I HN 0.329 nan 8.210 nan 0.000 0.453 326 N N 4.183 123.030 118.700 0.245 0.000 2.741 326 N HA 0.186 4.948 4.740 0.037 0.000 0.310 326 N C 0.968 176.437 175.510 -0.068 0.000 1.295 326 N CA -0.476 52.528 53.050 -0.078 0.000 0.893 326 N CB 0.233 38.635 38.487 -0.142 0.000 1.247 326 N HN 0.464 nan 8.380 nan 0.000 0.596 327 H N -0.615 118.388 119.070 -0.111 0.000 2.352 327 H HA -0.083 4.495 4.556 0.037 0.000 0.299 327 H C -0.047 175.278 175.328 -0.004 0.000 1.097 327 H CA 2.006 58.066 56.048 0.021 0.000 1.311 327 H CB -0.076 29.725 29.762 0.066 0.000 1.377 327 H HN 0.570 nan 8.280 nan 0.000 0.504 328 D N -0.372 120.022 120.400 -0.010 0.000 2.178 328 D HA -0.075 4.587 4.640 0.037 0.000 0.202 328 D C 2.153 178.337 176.300 -0.194 0.000 0.974 328 D CA 0.855 54.800 54.000 -0.093 0.000 0.841 328 D CB -0.458 40.308 40.800 -0.056 0.000 0.953 328 D HN 0.649 nan 8.370 nan 0.000 0.478 329 H N -0.261 118.743 119.070 -0.111 0.000 2.321 329 H HA 0.006 4.586 4.556 0.038 0.000 0.300 329 H C 2.194 177.333 175.328 -0.315 0.000 1.087 329 H CA 0.976 56.917 56.048 -0.179 0.000 1.319 329 H CB 0.038 29.697 29.762 -0.172 0.000 1.379 329 H HN 0.049 nan 8.280 nan 0.000 0.501 330 M N 0.441 119.919 119.600 -0.203 0.000 2.175 330 M HA -0.158 4.344 4.480 0.037 0.000 0.264 330 M C 2.348 178.214 176.300 -0.723 0.000 1.063 330 M CA 1.291 56.392 55.300 -0.331 0.000 1.119 330 M CB -0.113 32.435 32.600 -0.085 0.000 1.377 330 M HN 0.159 nan 8.290 nan 0.000 0.415 331 K N 0.809 120.752 120.400 -0.761 0.000 2.211 331 K HA -0.127 4.215 4.320 0.037 0.000 0.204 331 K C 1.647 177.852 176.600 -0.658 0.000 1.047 331 K CA 1.481 57.162 56.287 -1.011 0.000 0.935 331 K CB -0.001 32.200 32.500 -0.498 0.000 0.728 331 K HN 0.295 nan 8.250 nan 0.000 0.452 332 A N 0.600 123.181 122.820 -0.399 0.000 2.178 332 A HA 0.176 4.518 4.320 0.037 0.000 0.211 332 A C 0.728 178.181 177.584 -0.219 0.000 1.157 332 A CA -0.114 51.780 52.037 -0.239 0.000 0.780 332 A CB -0.179 18.750 19.000 -0.118 0.000 0.828 332 A HN 0.246 nan 8.150 nan 0.000 0.476 333 M N 1.106 120.528 119.600 -0.297 0.000 2.245 333 M HA 0.169 4.671 4.480 0.037 0.000 0.330 333 M C 0.816 177.037 176.300 -0.132 0.000 1.098 333 M CA -0.200 54.989 55.300 -0.184 0.000 1.172 333 M CB 0.519 32.972 32.600 -0.246 0.000 1.467 333 M HN 0.464 nan 8.290 nan 0.000 0.454 334 R N 0.674 121.153 120.500 -0.034 0.000 2.738 334 R HA 0.116 4.477 4.340 0.037 0.000 0.268 334 R C -0.329 175.971 176.300 0.001 0.000 1.062 334 R CA -0.649 55.445 56.100 -0.011 0.000 1.158 334 R CB 0.200 30.507 30.300 0.011 0.000 1.046 334 R HN 0.598 nan 8.270 nan 0.000 0.493 335 H N 1.907 120.942 119.070 -0.059 0.000 3.070 335 H HA -0.052 4.527 4.556 0.037 0.000 0.313 335 H C -0.206 175.116 175.328 -0.010 0.000 0.997 335 H CA 1.301 57.321 56.048 -0.046 0.000 1.438 335 H CB 0.233 29.967 29.762 -0.048 0.000 1.455 335 H HN 0.809 nan 8.280 nan 0.000 0.575 336 N N 1.342 119.710 118.700 -0.554 0.000 2.741 336 N HA -0.203 4.559 4.740 0.037 0.000 0.250 336 N C -0.663 174.777 175.510 -0.117 0.000 1.115 336 N CA 0.877 53.737 53.050 -0.316 0.000 0.724 336 N CB -1.544 36.740 38.487 -0.337 0.000 1.090 336 N HN 0.785 nan 8.380 nan 0.000 0.558 337 A N 0.214 122.999 122.820 -0.059 0.000 2.540 337 A HA 0.337 4.679 4.320 0.037 0.000 0.239 337 A C 0.769 178.372 177.584 0.030 0.000 1.061 337 A CA 0.266 52.327 52.037 0.040 0.000 0.758 337 A CB 0.159 19.235 19.000 0.127 0.000 0.991 337 A HN 0.328 nan 8.150 nan 0.000 0.502 338 I N 2.571 123.176 120.570 0.059 0.000 2.331 338 I HA 0.340 4.532 4.170 0.037 0.000 0.292 338 I C -0.540 175.649 176.117 0.120 0.000 0.998 338 I CA -0.366 60.955 61.300 0.035 0.000 1.267 338 I CB 1.613 39.608 38.000 -0.008 0.000 1.386 338 I HN 0.291 nan 8.210 nan 0.000 0.476 339 V N 6.133 126.083 119.914 0.060 0.000 2.444 339 V HA 0.514 4.656 4.120 0.037 0.000 0.294 339 V C -0.206 175.913 176.094 0.042 0.000 1.022 339 V CA -0.496 61.848 62.300 0.073 0.000 0.850 339 V CB 1.459 33.270 31.823 -0.021 0.000 0.992 339 V HN 1.015 nan 8.190 nan 0.000 0.426 340 C N 2.667 122.007 119.300 0.067 0.000 3.236 340 C HA 0.916 5.398 4.460 0.037 0.000 0.312 340 C C -0.800 174.229 174.990 0.065 0.000 1.374 340 C CA -0.951 58.097 59.018 0.050 0.000 1.455 340 C CB 1.563 29.322 27.740 0.032 0.000 1.834 340 C HN 0.842 nan 8.230 nan 0.000 0.460 341 N N -0.402 118.335 118.700 0.062 0.000 2.249 341 N HA 0.628 5.390 4.740 0.037 0.000 0.296 341 N C -0.719 174.825 175.510 0.056 0.000 1.051 341 N CA -0.696 52.396 53.050 0.070 0.000 0.815 341 N CB 1.764 40.303 38.487 0.086 0.000 1.487 341 N HN 0.917 nan 8.380 nan 0.000 0.475 342 I N 1.322 121.926 120.570 0.056 0.000 4.154 342 I HA 0.480 4.672 4.170 0.037 0.000 0.334 342 I C 0.796 176.945 176.117 0.053 0.000 1.371 342 I CA -0.339 60.988 61.300 0.045 0.000 1.110 342 I CB 0.021 38.050 38.000 0.048 0.000 1.085 342 I HN 0.656 nan 8.210 nan 0.000 0.398 343 G N -0.729 108.113 108.800 0.070 0.000 2.636 343 G HA2 -0.081 3.901 3.960 0.037 0.000 0.246 343 G HA3 -0.081 3.901 3.960 0.037 0.000 0.246 343 G C 0.440 175.377 174.900 0.062 0.000 1.216 343 G CA 0.078 45.231 45.100 0.088 0.000 0.854 343 G HN 0.428 nan 8.290 nan 0.000 0.572 344 H N -0.052 118.990 119.070 -0.046 0.000 2.387 344 H HA 0.036 4.613 4.556 0.036 0.000 0.299 344 H C 0.054 175.214 175.328 -0.280 0.000 1.090 344 H CA 1.151 57.072 56.048 -0.211 0.000 1.332 344 H CB -0.037 29.484 29.762 -0.403 0.000 1.386 344 H HN 0.236 nan 8.280 nan 0.000 0.516 345 F N -0.035 119.958 119.950 0.071 0.000 2.492 345 F HA 0.179 4.728 4.527 0.038 0.000 0.327 345 F C 1.051 176.884 175.800 0.055 0.000 1.079 345 F CA -1.016 57.005 58.000 0.035 0.000 0.967 345 F CB 1.540 40.627 39.000 0.144 0.000 1.169 345 F HN 0.211 nan 8.300 nan 0.000 0.472 346 D N -1.585 118.980 120.400 0.276 0.000 2.348 346 D HA -0.121 4.541 4.640 0.037 0.000 0.216 346 D C 1.516 177.931 176.300 0.191 0.000 0.970 346 D CA 1.068 55.181 54.000 0.187 0.000 0.889 346 D CB -0.239 40.649 40.800 0.148 0.000 0.912 346 D HN 0.345 nan 8.370 nan 0.000 0.524 347 S N -0.171 115.670 115.700 0.235 0.000 2.595 347 S HA -0.120 4.372 4.470 0.037 0.000 0.235 347 S C 1.514 176.237 174.600 0.204 0.000 0.974 347 S CA 0.101 58.440 58.200 0.232 0.000 0.942 347 S CB -0.358 63.024 63.200 0.304 0.000 0.766 347 S HN 0.306 nan 8.310 nan 0.000 0.536 348 E N 0.867 121.184 120.200 0.195 0.000 2.153 348 E HA -0.004 4.368 4.350 0.037 0.000 0.194 348 E C 0.253 176.913 176.600 0.101 0.000 0.988 348 E CA 0.751 57.243 56.400 0.155 0.000 0.811 348 E CB -0.168 29.621 29.700 0.147 0.000 0.746 348 E HN 0.649 nan 8.360 nan 0.000 0.466 349 I N 1.644 122.262 120.570 0.079 0.000 2.404 349 I HA 0.080 4.272 4.170 0.037 0.000 0.293 349 I C 0.030 176.104 176.117 -0.070 0.000 0.992 349 I CA -0.711 60.597 61.300 0.014 0.000 1.149 349 I CB 1.514 39.539 38.000 0.042 0.000 1.315 349 I HN -0.246 nan 8.210 nan 0.000 0.446 350 D N 6.076 126.308 120.400 -0.280 0.000 2.600 350 D HA 0.067 4.729 4.640 0.037 0.000 0.226 350 D C 1.053 177.305 176.300 -0.080 0.000 1.119 350 D CA 0.110 53.836 54.000 -0.456 0.000 1.051 350 D CB 0.569 40.841 40.800 -0.881 0.000 1.106 350 D HN 0.286 nan 8.370 nan 0.000 0.491 351 V N 2.400 122.338 119.914 0.039 0.000 2.490 351 V HA -0.237 3.905 4.120 0.037 0.000 0.250 351 V C 2.487 178.683 176.094 0.170 0.000 1.061 351 V CA 1.874 64.271 62.300 0.162 0.000 1.064 351 V CB -0.561 31.392 31.823 0.218 0.000 0.670 351 V HN 0.570 nan 8.190 nan 0.000 0.461 352 A N 0.614 123.491 122.820 0.096 0.000 2.015 352 A HA -0.167 4.175 4.320 0.037 0.000 0.219 352 A C 2.440 180.059 177.584 0.057 0.000 1.163 352 A CA 1.825 53.903 52.037 0.067 0.000 0.646 352 A CB -0.576 18.461 19.000 0.063 0.000 0.806 352 A HN 0.690 nan 8.150 nan 0.000 0.448 353 S N -0.553 115.191 115.700 0.073 0.000 2.555 353 S HA -0.072 4.420 4.470 0.037 0.000 0.230 353 S C 1.493 176.201 174.600 0.179 0.000 0.978 353 S CA 1.467 59.721 58.200 0.090 0.000 0.934 353 S CB -0.833 62.439 63.200 0.120 0.000 0.766 353 S HN 0.760 nan 8.310 nan 0.000 0.533 354 T N -1.533 113.160 114.554 0.233 0.000 3.069 354 T HA 0.326 4.698 4.350 0.037 0.000 0.252 354 T C 1.656 176.556 174.700 0.333 0.000 1.053 354 T CA -0.542 61.771 62.100 0.355 0.000 0.964 354 T CB -0.055 69.055 68.868 0.404 0.000 1.005 354 T HN 0.131 nan 8.240 nan 0.000 0.532 355 R N 1.974 122.544 120.500 0.118 0.000 2.148 355 R HA -0.066 4.296 4.340 0.037 0.000 0.227 355 R C 2.638 178.858 176.300 -0.133 0.000 1.103 355 R CA 1.567 57.620 56.100 -0.077 0.000 0.983 355 R CB -0.608 29.586 30.300 -0.177 0.000 0.874 355 R HN 0.849 nan 8.270 nan 0.000 0.451 356 Q N -0.384 119.277 119.800 -0.232 0.000 2.181 356 Q HA -0.147 4.215 4.340 0.037 0.000 0.205 356 Q C -0.067 175.762 176.000 -0.284 0.000 0.980 356 Q CA 1.125 56.739 55.803 -0.315 0.000 0.862 356 Q CB -0.445 28.018 28.738 -0.458 0.000 0.905 356 Q HN 0.213 nan 8.270 nan 0.000 0.429 357 Y N 1.444 121.761 120.300 0.029 0.000 2.298 357 Y HA 0.222 4.794 4.550 0.037 0.000 0.329 357 Y C 0.443 176.421 175.900 0.130 0.000 1.293 357 Y CA -1.202 56.899 58.100 0.001 0.000 1.388 357 Y CB 0.307 38.641 38.460 -0.210 0.000 1.309 357 Y HN 0.056 nan 8.280 nan 0.000 0.544 358 Q N 0.997 120.957 119.800 0.268 0.000 2.313 358 Q HA 0.162 4.524 4.340 0.037 0.000 0.266 358 Q C -1.806 174.409 176.000 0.358 0.000 0.989 358 Q CA -0.172 55.772 55.803 0.235 0.000 0.890 358 Q CB 0.291 29.112 28.738 0.137 0.000 1.200 358 Q HN 0.499 nan 8.270 nan 0.000 0.396 359 W N 2.328 123.646 121.300 0.029 0.000 2.516 359 W HA 0.505 5.187 4.660 0.038 0.000 0.343 359 W C -0.425 176.126 176.519 0.053 0.000 1.094 359 W CA -0.749 56.621 57.345 0.042 0.000 1.250 359 W CB 1.163 30.646 29.460 0.039 0.000 1.308 359 W HN 0.631 nan 8.180 nan 0.000 0.588 360 E N 2.320 122.682 120.200 0.271 0.000 2.283 360 E HA 0.097 4.469 4.350 0.037 0.000 0.258 360 E C -0.583 176.123 176.600 0.178 0.000 0.893 360 E CA -0.504 56.017 56.400 0.202 0.000 0.798 360 E CB 0.859 30.658 29.700 0.166 0.000 1.242 360 E HN 0.445 nan 8.360 nan 0.000 0.414 361 N N 5.111 123.910 118.700 0.164 0.000 2.454 361 N HA 0.008 4.770 4.740 0.037 0.000 0.260 361 N C 0.663 176.202 175.510 0.048 0.000 1.218 361 N CA 0.372 53.487 53.050 0.109 0.000 0.904 361 N CB 0.676 39.229 38.487 0.109 0.000 1.065 361 N HN 0.615 nan 8.380 nan 0.000 0.462 362 I N 2.753 123.316 120.570 -0.012 0.000 2.512 362 I HA -0.016 4.176 4.170 0.037 0.000 0.247 362 I C 0.700 176.801 176.117 -0.028 0.000 1.094 362 I CA 0.747 62.019 61.300 -0.048 0.000 1.427 362 I CB 0.020 37.931 38.000 -0.149 0.000 1.149 362 I HN 0.627 nan 8.210 nan 0.000 0.438 363 K N -0.102 120.278 120.400 -0.033 0.000 2.556 363 K HA 0.450 4.792 4.320 0.037 0.000 0.289 363 K C -3.012 173.571 176.600 -0.029 0.000 1.040 363 K CA -1.726 54.548 56.287 -0.022 0.000 0.894 363 K CB 0.815 33.297 32.500 -0.029 0.000 1.547 363 K HN -0.373 nan 8.250 nan 0.000 0.417 364 P HA 0.032 nan 4.420 nan 0.000 0.264 364 P C -0.947 176.278 177.300 -0.124 0.000 1.193 364 P CA 0.653 63.719 63.100 -0.057 0.000 0.763 364 P CB 0.483 32.161 31.700 -0.036 0.000 0.810 365 Q N -0.719 118.964 119.800 -0.194 0.000 2.416 365 Q HA -0.143 4.219 4.340 0.037 0.000 0.235 365 Q C -0.678 175.243 176.000 -0.132 0.000 0.773 365 Q CA 1.082 56.735 55.803 -0.249 0.000 1.286 365 Q CB -2.252 26.282 28.738 -0.340 0.000 1.556 365 Q HN 0.279 nan 8.270 nan 0.000 0.650 366 V N 0.684 120.541 119.914 -0.094 0.000 2.419 366 V HA 0.492 4.634 4.120 0.037 0.000 0.287 366 V C -0.336 175.696 176.094 -0.103 0.000 1.017 366 V CA -0.795 61.441 62.300 -0.107 0.000 0.844 366 V CB 1.998 33.751 31.823 -0.117 0.000 1.011 366 V HN 0.072 nan 8.190 nan 0.000 0.429 367 D N 1.572 121.895 120.400 -0.128 0.000 2.481 367 D HA 0.423 5.085 4.640 0.037 0.000 0.244 367 D C -0.819 175.336 176.300 -0.243 0.000 1.057 367 D CA -0.518 53.403 54.000 -0.131 0.000 0.848 367 D CB 2.493 43.260 40.800 -0.056 0.000 1.388 367 D HN 0.597 nan 8.370 nan 0.000 0.475 368 H N 0.822 119.770 119.070 -0.203 0.000 2.517 368 H HA 0.403 4.981 4.556 0.037 0.000 0.317 368 H C -0.160 174.930 175.328 -0.396 0.000 1.080 368 H CA -0.502 55.407 56.048 -0.231 0.000 1.301 368 H CB 1.242 30.943 29.762 -0.101 0.000 1.425 368 H HN 0.162 nan 8.280 nan 0.000 0.471 369 I N 6.147 126.520 120.570 -0.329 0.000 2.330 369 I HA 0.176 4.368 4.170 0.037 0.000 0.289 369 I C -0.310 175.655 176.117 -0.253 0.000 1.001 369 I CA -0.327 60.668 61.300 -0.510 0.000 1.193 369 I CB 1.140 38.788 38.000 -0.586 0.000 1.345 369 I HN 0.418 nan 8.210 nan 0.000 0.461 370 I N 6.592 127.042 120.570 -0.201 0.000 2.307 370 I HA 0.287 4.479 4.170 0.037 0.000 0.289 370 I C -0.126 175.851 176.117 -0.235 0.000 1.021 370 I CA -0.326 60.900 61.300 -0.124 0.000 1.224 370 I CB 0.348 38.318 38.000 -0.050 0.000 1.376 370 I HN 0.355 nan 8.210 nan 0.000 0.470 371 F N 7.301 127.088 119.950 -0.272 0.000 2.403 371 F HA 0.231 4.780 4.527 0.037 0.000 0.320 371 F C -1.115 174.574 175.800 -0.185 0.000 1.176 371 F CA -1.307 56.439 58.000 -0.423 0.000 1.206 371 F CB 0.154 38.890 39.000 -0.440 0.000 1.235 371 F HN 0.347 nan 8.300 nan 0.000 0.565 372 P HA -0.131 nan 4.420 nan 0.000 0.225 372 P C 0.367 177.701 177.300 0.057 0.000 1.148 372 P CA 1.156 64.307 63.100 0.086 0.000 0.779 372 P CB -0.036 31.748 31.700 0.141 0.000 0.780 373 D N -2.082 118.346 120.400 0.048 0.000 2.328 373 D HA 0.112 4.774 4.640 0.037 0.000 0.221 373 D C 1.431 177.725 176.300 -0.011 0.000 1.072 373 D CA 0.381 54.387 54.000 0.011 0.000 0.850 373 D CB -0.713 40.082 40.800 -0.008 0.000 0.922 373 D HN 0.189 nan 8.370 nan 0.000 0.516 374 G N 0.411 109.212 108.800 0.002 0.000 2.217 374 G HA2 -0.289 3.693 3.960 0.037 0.000 0.246 374 G HA3 -0.289 3.693 3.960 0.037 0.000 0.246 374 G C 0.304 175.188 174.900 -0.026 0.000 0.990 374 G CA 0.128 45.210 45.100 -0.030 0.000 0.627 374 G HN 0.522 nan 8.290 nan 0.000 0.522 375 K N 1.538 121.947 120.400 0.015 0.000 2.368 375 K HA 0.348 4.690 4.320 0.037 0.000 0.282 375 K C 0.286 176.988 176.600 0.171 0.000 1.035 375 K CA -0.060 56.283 56.287 0.094 0.000 0.973 375 K CB 0.179 32.672 32.500 -0.012 0.000 0.957 375 K HN 0.498 nan 8.250 nan 0.000 0.474 376 R N 2.308 122.956 120.500 0.247 0.000 2.589 376 R HA 0.436 4.798 4.340 0.037 0.000 0.293 376 R C -0.670 175.618 176.300 -0.020 0.000 0.963 376 R CA -1.017 55.086 56.100 0.004 0.000 0.905 376 R CB 1.867 31.948 30.300 -0.365 0.000 1.144 376 R HN 0.260 nan 8.270 nan 0.000 0.459 377 V N 4.242 124.185 119.914 0.049 0.000 2.547 377 V HA 0.395 4.537 4.120 0.037 0.000 0.299 377 V C 0.158 176.264 176.094 0.019 0.000 1.040 377 V CA -0.700 61.605 62.300 0.008 0.000 0.913 377 V CB 1.881 33.715 31.823 0.020 0.000 0.992 377 V HN 0.609 nan 8.190 nan 0.000 0.449 378 I N 5.401 125.955 120.570 -0.027 0.000 2.306 378 I HA 0.301 4.493 4.170 0.037 0.000 0.288 378 I C -0.539 175.507 176.117 -0.118 0.000 1.036 378 I CA -0.336 60.900 61.300 -0.107 0.000 1.221 378 I CB 1.212 39.125 38.000 -0.145 0.000 1.385 378 I HN 0.378 nan 8.210 nan 0.000 0.472 379 L N 8.353 129.472 121.223 -0.173 0.000 2.307 379 L HA 0.542 4.904 4.340 0.037 0.000 0.282 379 L C -0.807 176.002 176.870 -0.102 0.000 1.051 379 L CA -0.135 54.620 54.840 -0.142 0.000 0.804 379 L CB 1.146 43.068 42.059 -0.228 0.000 1.197 379 L HN 0.408 nan 8.230 nan 0.000 0.431 380 L N 6.283 127.477 121.223 -0.048 0.000 2.307 380 L HA 0.563 4.925 4.340 0.037 0.000 0.284 380 L C 1.041 177.906 176.870 -0.009 0.000 1.023 380 L CA -0.623 54.193 54.840 -0.041 0.000 0.810 380 L CB 1.491 43.531 42.059 -0.032 0.000 1.231 380 L HN 0.926 nan 8.230 nan 0.000 0.423 381 A N 2.560 125.348 122.820 -0.053 0.000 2.799 381 A HA -0.246 4.096 4.320 0.037 0.000 0.287 381 A C 0.870 178.533 177.584 0.132 0.000 1.484 381 A CA 1.261 53.252 52.037 -0.077 0.000 0.813 381 A CB -1.967 17.021 19.000 -0.020 0.000 1.009 381 A HN 0.998 nan 8.150 nan 0.000 0.545 382 E N -3.496 116.805 120.200 0.168 0.000 2.494 382 E HA -0.233 4.139 4.350 0.037 0.000 0.249 382 E C 1.362 178.112 176.600 0.250 0.000 1.184 382 E CA 1.388 57.971 56.400 0.305 0.000 0.727 382 E CB -1.833 28.113 29.700 0.410 0.000 1.281 382 E HN 2.486 nan 8.360 nan 0.000 0.405 383 G N -0.572 108.329 108.800 0.169 0.000 2.179 383 G HA2 -0.373 3.609 3.960 0.037 0.000 0.260 383 G HA3 -0.373 3.609 3.960 0.037 0.000 0.260 383 G C 0.376 175.360 174.900 0.141 0.000 0.977 383 G CA 0.516 45.700 45.100 0.140 0.000 0.641 383 G HN 0.211 nan 8.290 nan 0.000 0.533 384 R N -0.110 120.500 120.500 0.183 0.000 2.615 384 R HA 0.590 4.952 4.340 0.037 0.000 0.270 384 R C 0.882 177.246 176.300 0.106 0.000 1.081 384 R CA -0.675 55.522 56.100 0.163 0.000 1.154 384 R CB 0.052 30.532 30.300 0.299 0.000 1.063 384 R HN 0.305 nan 8.270 nan 0.000 0.519 385 L N 1.058 122.304 121.223 0.039 0.000 2.667 385 L HA -0.073 4.289 4.340 0.037 0.000 0.278 385 L C 1.458 178.334 176.870 0.010 0.000 1.217 385 L CA 0.516 55.355 54.840 -0.001 0.000 0.935 385 L CB -0.570 41.445 42.059 -0.073 0.000 1.193 385 L HN 0.436 nan 8.230 nan 0.000 0.493 386 V N 3.526 123.448 119.914 0.014 0.000 2.488 386 V HA -0.188 3.954 4.120 0.037 0.000 0.246 386 V C 2.195 178.286 176.094 -0.004 0.000 1.046 386 V CA 1.858 64.164 62.300 0.010 0.000 1.053 386 V CB -0.402 31.430 31.823 0.013 0.000 0.679 386 V HN 1.180 nan 8.190 nan 0.000 0.458 387 N N 0.624 119.319 118.700 -0.009 0.000 2.120 387 N HA -0.178 4.584 4.740 0.037 0.000 0.188 387 N C 1.668 177.154 175.510 -0.039 0.000 1.024 387 N CA 2.138 55.183 53.050 -0.008 0.000 0.852 387 N CB -0.797 37.702 38.487 0.020 0.000 1.003 387 N HN 0.496 nan 8.380 nan 0.000 0.424 388 L N -0.309 120.860 121.223 -0.091 0.000 2.209 388 L HA 0.195 4.557 4.340 0.037 0.000 0.207 388 L C 2.567 179.428 176.870 -0.015 0.000 1.094 388 L CA 1.015 55.790 54.840 -0.108 0.000 0.790 388 L CB -0.448 41.436 42.059 -0.291 0.000 0.932 388 L HN 0.340 nan 8.230 nan 0.000 0.447 389 G N -1.390 107.415 108.800 0.009 0.000 2.396 389 G HA2 -0.163 3.819 3.960 0.037 0.000 0.214 389 G HA3 -0.163 3.819 3.960 0.037 0.000 0.214 389 G C 1.327 176.212 174.900 -0.025 0.000 1.166 389 G CA 0.794 45.917 45.100 0.040 0.000 0.793 389 G HN 0.421 nan 8.290 nan 0.000 0.533 390 C N -0.089 119.196 119.300 -0.026 0.000 2.926 390 C HA 0.758 5.240 4.460 0.037 0.000 0.272 390 C C 1.603 176.590 174.990 -0.004 0.000 1.249 390 C CA -0.069 58.931 59.018 -0.031 0.000 1.691 390 C CB -0.659 27.058 27.740 -0.038 0.000 1.983 390 C HN 0.600 nan 8.230 nan 0.000 0.615 391 A N 0.891 123.716 122.820 0.008 0.000 3.955 391 A HA 0.647 4.989 4.320 0.037 0.000 0.175 391 A C 0.702 178.306 177.584 0.033 0.000 0.682 391 A CA 0.770 52.822 52.037 0.025 0.000 0.834 391 A CB -0.357 18.658 19.000 0.025 0.000 1.657 391 A HN 0.305 nan 8.150 nan 0.000 0.820 392 T N -2.552 112.024 114.554 0.037 0.000 3.288 392 T HA 0.529 4.901 4.350 0.037 0.000 0.293 392 T C 0.972 175.678 174.700 0.010 0.000 1.008 392 T CA 1.165 63.288 62.100 0.038 0.000 0.929 392 T CB -0.506 68.402 68.868 0.066 0.000 1.152 392 T HN 2.554 nan 8.240 nan 0.000 0.517 393 G N 2.098 110.887 108.800 -0.019 0.000 2.697 393 G HA2 -0.184 3.798 3.960 0.037 0.000 0.240 393 G HA3 -0.184 3.798 3.960 0.037 0.000 0.240 393 G C -0.616 174.308 174.900 0.041 0.000 1.346 393 G CA -0.539 44.510 45.100 -0.085 0.000 0.887 393 G HN 0.736 nan 8.290 nan 0.000 0.569 394 H N 1.097 120.159 119.070 -0.013 0.000 2.852 394 H HA 0.391 4.972 4.556 0.041 0.000 0.362 394 H C -1.636 173.696 175.328 0.005 0.000 1.122 394 H CA -0.484 55.562 56.048 -0.003 0.000 1.419 394 H CB -0.456 29.293 29.762 -0.021 0.000 1.401 394 H HN 0.381 nan 8.280 nan 0.000 0.609 395 P HA 0.076 nan 4.420 nan 0.000 0.272 395 P C 0.717 178.079 177.300 0.103 0.000 1.230 395 P CA -0.201 62.971 63.100 0.120 0.000 0.788 395 P CB 0.719 32.492 31.700 0.121 0.000 0.949 396 S N 0.572 116.329 115.700 0.095 0.000 2.372 396 S HA -0.242 4.250 4.470 0.037 0.000 0.227 396 S C 1.535 176.187 174.600 0.086 0.000 1.044 396 S CA 1.499 59.747 58.200 0.079 0.000 1.050 396 S CB -1.144 62.114 63.200 0.098 0.000 0.901 396 S HN 0.532 nan 8.310 nan 0.000 0.447 397 F N 1.577 121.539 119.950 0.020 0.000 2.095 397 F HA -0.131 4.417 4.527 0.035 0.000 0.298 397 F C 2.397 178.185 175.800 -0.021 0.000 1.104 397 F CA 1.421 59.437 58.000 0.026 0.000 1.232 397 F CB -0.627 38.390 39.000 0.028 0.000 0.987 397 F HN 0.069 nan 8.300 nan 0.000 0.475 398 V N 0.276 120.169 119.914 -0.035 0.000 2.591 398 V HA -0.202 3.940 4.120 0.037 0.000 0.249 398 V C 2.159 178.118 176.094 -0.225 0.000 1.053 398 V CA 1.365 63.578 62.300 -0.146 0.000 1.068 398 V CB -0.213 31.637 31.823 0.044 0.000 0.689 398 V HN 0.311 nan 8.190 nan 0.000 0.462 399 M N -0.136 119.348 119.600 -0.193 0.000 2.279 399 M HA -0.096 4.406 4.480 0.037 0.000 0.264 399 M C 2.456 178.481 176.300 -0.457 0.000 1.062 399 M CA 1.951 57.003 55.300 -0.414 0.000 1.099 399 M CB -1.747 30.560 32.600 -0.488 0.000 1.394 399 M HN 0.528 nan 8.290 nan 0.000 0.426 400 S N 0.805 116.349 115.700 -0.261 0.000 2.383 400 S HA -0.175 4.317 4.470 0.037 0.000 0.229 400 S C 1.719 176.228 174.600 -0.152 0.000 1.030 400 S CA 1.635 59.779 58.200 -0.093 0.000 1.002 400 S CB -0.135 63.094 63.200 0.048 0.000 0.829 400 S HN 0.457 nan 8.310 nan 0.000 0.467 401 N N 1.368 119.790 118.700 -0.463 0.000 2.043 401 N HA -0.036 4.726 4.740 0.037 0.000 0.193 401 N C 1.967 177.374 175.510 -0.171 0.000 1.037 401 N CA 1.816 54.608 53.050 -0.430 0.000 0.851 401 N CB -0.826 37.356 38.487 -0.507 0.000 1.027 401 N HN 0.397 nan 8.380 nan 0.000 0.422 402 S N 0.096 115.698 115.700 -0.163 0.000 2.382 402 S HA -0.036 4.456 4.470 0.037 0.000 0.228 402 S C 1.493 176.216 174.600 0.204 0.000 1.027 402 S CA 0.790 58.972 58.200 -0.029 0.000 0.991 402 S CB -0.266 62.863 63.200 -0.119 0.000 0.823 402 S HN 0.238 nan 8.310 nan 0.000 0.469 403 F N 1.933 121.874 119.950 -0.015 0.000 2.416 403 F HA 0.111 4.662 4.527 0.040 0.000 0.296 403 F C 2.627 178.413 175.800 -0.022 0.000 1.099 403 F CA 0.126 58.121 58.000 -0.008 0.000 1.427 403 F CB -1.776 37.220 39.000 -0.007 0.000 1.079 403 F HN 0.124 nan 8.300 nan 0.000 0.536 404 T N 0.220 114.872 114.554 0.164 0.000 2.708 404 T HA -0.182 4.190 4.350 0.037 0.000 0.266 404 T C 1.957 176.671 174.700 0.023 0.000 1.037 404 T CA 1.406 63.554 62.100 0.080 0.000 1.146 404 T CB -0.308 68.620 68.868 0.100 0.000 0.865 404 T HN 0.195 nan 8.240 nan 0.000 0.435 405 N N 0.969 119.679 118.700 0.016 0.000 2.036 405 N HA -0.137 4.625 4.740 0.037 0.000 0.195 405 N C 2.103 177.588 175.510 -0.042 0.000 1.037 405 N CA 1.155 54.188 53.050 -0.029 0.000 0.855 405 N CB -0.262 38.216 38.487 -0.014 0.000 1.033 405 N HN 0.369 nan 8.380 nan 0.000 0.423 406 Q N 0.381 120.201 119.800 0.034 0.000 2.061 406 Q HA -0.083 4.279 4.340 0.037 0.000 0.204 406 Q C 1.984 177.950 176.000 -0.057 0.000 0.984 406 Q CA 1.364 57.175 55.803 0.013 0.000 0.846 406 Q CB -0.783 27.995 28.738 0.066 0.000 0.902 406 Q HN 0.433 nan 8.270 nan 0.000 0.421 407 T N 1.709 116.229 114.554 -0.057 0.000 2.777 407 T HA -0.063 4.309 4.350 0.037 0.000 0.266 407 T C 2.090 176.688 174.700 -0.171 0.000 1.040 407 T CA 0.772 62.808 62.100 -0.106 0.000 1.141 407 T CB -0.192 68.622 68.868 -0.090 0.000 0.868 407 T HN 0.166 nan 8.240 nan 0.000 0.444 408 L N 0.721 121.841 121.223 -0.172 0.000 2.046 408 L HA -0.071 4.291 4.340 0.037 0.000 0.208 408 L C 3.022 179.715 176.870 -0.295 0.000 1.077 408 L CA 1.208 55.914 54.840 -0.224 0.000 0.747 408 L CB -0.638 41.314 42.059 -0.179 0.000 0.896 408 L HN 0.239 nan 8.230 nan 0.000 0.432 409 A N -0.867 121.753 122.820 -0.333 0.000 1.898 409 A HA -0.185 4.157 4.320 0.037 0.000 0.216 409 A C 2.273 179.718 177.584 -0.231 0.000 1.181 409 A CA 1.088 52.821 52.037 -0.506 0.000 0.620 409 A CB -0.357 18.384 19.000 -0.430 0.000 0.819 409 A HN 0.365 nan 8.150 nan 0.000 0.442 410 Q N -0.274 119.446 119.800 -0.133 0.000 2.096 410 Q HA -0.153 4.209 4.340 0.037 0.000 0.204 410 Q C 2.152 178.126 176.000 -0.045 0.000 0.982 410 Q CA 1.529 57.294 55.803 -0.064 0.000 0.850 410 Q CB -0.426 28.270 28.738 -0.070 0.000 0.901 410 Q HN 0.771 nan 8.270 nan 0.000 0.422 411 I N 0.687 121.188 120.570 -0.115 0.000 2.163 411 I HA -0.286 3.906 4.170 0.037 0.000 0.243 411 I C 2.458 178.569 176.117 -0.010 0.000 1.085 411 I CA 1.303 62.549 61.300 -0.090 0.000 1.347 411 I CB -0.191 37.648 38.000 -0.267 0.000 1.044 411 I HN 0.173 nan 8.210 nan 0.000 0.408 412 E N 1.266 121.424 120.200 -0.070 0.000 2.077 412 E HA -0.173 4.199 4.350 0.037 0.000 0.193 412 E C 2.133 178.752 176.600 0.031 0.000 0.989 412 E CA 1.482 57.874 56.400 -0.013 0.000 0.800 412 E CB -0.234 29.399 29.700 -0.112 0.000 0.746 412 E HN 0.407 nan 8.360 nan 0.000 0.452 413 L N -0.511 120.728 121.223 0.028 0.000 2.109 413 L HA -0.037 4.325 4.340 0.037 0.000 0.207 413 L C 2.240 179.136 176.870 0.042 0.000 1.086 413 L CA 0.771 55.614 54.840 0.005 0.000 0.760 413 L CB -0.387 41.684 42.059 0.020 0.000 0.910 413 L HN 0.192 nan 8.230 nan 0.000 0.437 414 F N 1.261 121.184 119.950 -0.045 0.000 2.146 414 F HA -0.215 4.334 4.527 0.037 0.000 0.298 414 F C 2.723 178.514 175.800 -0.015 0.000 1.096 414 F CA 1.954 59.931 58.000 -0.039 0.000 1.275 414 F CB -0.297 38.673 39.000 -0.050 0.000 1.008 414 F HN 0.099 nan 8.300 nan 0.000 0.480 415 T N -2.290 112.261 114.554 -0.005 0.000 3.014 415 T HA 0.053 4.425 4.350 0.037 0.000 0.263 415 T C 1.590 176.262 174.700 -0.046 0.000 1.078 415 T CA 0.710 62.777 62.100 -0.054 0.000 1.135 415 T CB -0.188 68.723 68.868 0.072 0.000 0.895 415 T HN 0.333 nan 8.240 nan 0.000 0.480 416 R N -0.132 120.380 120.500 0.019 0.000 2.592 416 R HA 0.340 4.702 4.340 0.037 0.000 0.439 416 R C 2.016 178.416 176.300 0.168 0.000 0.995 416 R CA 0.111 56.265 56.100 0.091 0.000 1.141 416 R CB 0.417 30.823 30.300 0.176 0.000 1.495 416 R HN 0.392 nan 8.270 nan 0.000 0.579 417 G N 0.366 109.206 108.800 0.066 0.000 2.448 417 G HA2 -0.204 3.778 3.960 0.037 0.000 0.219 417 G HA3 -0.204 3.778 3.960 0.037 0.000 0.219 417 G C 1.352 176.326 174.900 0.124 0.000 1.127 417 G CA 0.918 46.065 45.100 0.078 0.000 0.766 417 G HN 0.393 nan 8.290 nan 0.000 0.552 418 G N 0.407 109.239 108.800 0.053 0.000 2.479 418 G HA2 -0.113 3.869 3.960 0.037 0.000 0.220 418 G HA3 -0.113 3.869 3.960 0.037 0.000 0.220 418 G C 1.521 176.439 174.900 0.029 0.000 1.115 418 G CA 0.683 45.800 45.100 0.027 0.000 0.757 418 G HN 0.390 nan 8.290 nan 0.000 0.560 419 E N -0.509 119.715 120.200 0.039 0.000 2.482 419 E HA 0.056 4.428 4.350 0.037 0.000 0.196 419 E C -0.320 176.126 176.600 -0.258 0.000 1.047 419 E CA 0.124 56.462 56.400 -0.104 0.000 0.869 419 E CB 0.053 29.648 29.700 -0.175 0.000 0.836 419 E HN 0.551 nan 8.360 nan 0.000 0.520 420 Y N -0.237 119.989 120.300 -0.123 0.000 2.420 420 Y HA 0.482 5.054 4.550 0.037 0.000 0.334 420 Y C 0.651 176.548 175.900 -0.005 0.000 1.094 420 Y CA -0.872 57.108 58.100 -0.200 0.000 1.126 420 Y CB 1.334 39.525 38.460 -0.449 0.000 1.217 420 Y HN -0.184 nan 8.280 nan 0.000 0.462 421 A N 1.294 124.281 122.820 0.278 0.000 2.240 421 A HA 0.351 4.693 4.320 0.037 0.000 0.292 421 A C -0.266 177.472 177.584 0.257 0.000 1.121 421 A CA -0.877 51.298 52.037 0.230 0.000 0.851 421 A CB 0.155 19.271 19.000 0.194 0.000 1.167 421 A HN 0.783 nan 8.150 nan 0.000 0.503 422 N N 1.238 120.022 118.700 0.140 0.000 3.050 422 N HA 0.248 5.010 4.740 0.037 0.000 0.289 422 N C -0.677 174.871 175.510 0.062 0.000 1.209 422 N CA 0.446 53.555 53.050 0.097 0.000 1.154 422 N CB -0.153 38.349 38.487 0.024 0.000 1.444 422 N HN 0.447 nan 8.380 nan 0.000 0.529 423 K N -0.702 119.763 120.400 0.109 0.000 2.509 423 K HA 0.477 4.819 4.320 0.037 0.000 0.266 423 K C -0.854 175.710 176.600 -0.059 0.000 0.987 423 K CA -0.895 55.364 56.287 -0.047 0.000 0.868 423 K CB 2.176 34.519 32.500 -0.262 0.000 1.421 423 K HN -0.157 nan 8.250 nan 0.000 0.444 424 V N 2.376 122.200 119.914 -0.150 0.000 2.461 424 V HA 0.261 4.403 4.120 0.037 0.000 0.275 424 V C -0.915 175.045 176.094 -0.224 0.000 1.047 424 V CA -0.250 61.963 62.300 -0.145 0.000 0.955 424 V CB -0.180 31.480 31.823 -0.271 0.000 0.988 424 V HN 0.529 nan 8.190 nan 0.000 0.471 425 Y N 2.946 123.155 120.300 -0.150 0.000 2.549 425 Y HA 0.700 5.272 4.550 0.036 0.000 0.339 425 Y C 0.239 176.195 175.900 0.093 0.000 1.053 425 Y CA -0.978 57.066 58.100 -0.093 0.000 1.105 425 Y CB 2.160 40.387 38.460 -0.389 0.000 1.258 425 Y HN 0.532 nan 8.280 nan 0.000 0.478 426 V N 0.251 120.413 119.914 0.414 0.000 2.769 426 V HA 0.562 4.704 4.120 0.037 0.000 0.312 426 V C -0.366 176.046 176.094 0.531 0.000 1.058 426 V CA -1.399 61.166 62.300 0.443 0.000 0.952 426 V CB 1.356 33.351 31.823 0.287 0.000 1.019 426 V HN 0.668 nan 8.190 nan 0.000 0.445 427 L N 4.258 125.696 121.223 0.357 0.000 2.506 427 L HA 0.273 4.635 4.340 0.037 0.000 0.281 427 L C -1.686 175.261 176.870 0.129 0.000 1.228 427 L CA -1.082 53.844 54.840 0.144 0.000 0.850 427 L CB 0.264 42.266 42.059 -0.096 0.000 1.110 427 L HN 0.585 nan 8.230 nan 0.000 0.496 428 P HA 0.015 nan 4.420 nan 0.000 0.272 428 P C 0.010 177.286 177.300 -0.039 0.000 1.223 428 P CA -0.417 62.715 63.100 0.055 0.000 0.784 428 P CB 0.779 32.517 31.700 0.062 0.000 0.923 429 K N 1.732 122.169 120.400 0.062 0.000 2.160 429 K HA -0.248 4.094 4.320 0.037 0.000 0.206 429 K C 1.979 178.602 176.600 0.039 0.000 1.047 429 K CA 1.927 58.261 56.287 0.078 0.000 0.930 429 K CB -0.447 32.136 32.500 0.138 0.000 0.720 429 K HN 0.653 nan 8.250 nan 0.000 0.450 430 H N -0.705 118.389 119.070 0.040 0.000 2.456 430 H HA -0.060 4.518 4.556 0.037 0.000 0.296 430 H C 1.744 177.090 175.328 0.030 0.000 1.079 430 H CA 1.440 57.495 56.048 0.012 0.000 1.322 430 H CB -0.247 29.509 29.762 -0.009 0.000 1.388 430 H HN 0.157 nan 8.280 nan 0.000 0.538 431 L N -0.119 120.826 121.223 -0.463 0.000 2.162 431 L HA -0.063 4.299 4.340 0.037 0.000 0.205 431 L C 2.149 178.953 176.870 -0.109 0.000 1.086 431 L CA 1.052 55.731 54.840 -0.269 0.000 0.778 431 L CB -0.307 41.545 42.059 -0.346 0.000 0.928 431 L HN 0.329 nan 8.230 nan 0.000 0.446 432 D N 0.677 121.022 120.400 -0.093 0.000 2.084 432 D HA -0.206 4.456 4.640 0.037 0.000 0.194 432 D C 1.993 178.272 176.300 -0.035 0.000 0.990 432 D CA 1.383 55.348 54.000 -0.059 0.000 0.826 432 D CB 0.165 40.948 40.800 -0.029 0.000 0.971 432 D HN 0.306 nan 8.370 nan 0.000 0.453 433 E N 0.305 120.522 120.200 0.027 0.000 2.118 433 E HA -0.208 4.164 4.350 0.037 0.000 0.195 433 E C 2.108 178.755 176.600 0.078 0.000 0.992 433 E CA 0.807 57.262 56.400 0.092 0.000 0.804 433 E CB -0.042 29.764 29.700 0.176 0.000 0.741 433 E HN 0.239 nan 8.360 nan 0.000 0.458 434 K N 0.984 121.421 120.400 0.062 0.000 2.057 434 K HA -0.148 4.194 4.320 0.037 0.000 0.207 434 K C 2.121 178.747 176.600 0.043 0.000 1.049 434 K CA 1.044 57.370 56.287 0.065 0.000 0.931 434 K CB 0.038 32.581 32.500 0.071 0.000 0.714 434 K HN -0.036 nan 8.250 nan 0.000 0.440 435 V N 1.304 121.228 119.914 0.016 0.000 2.287 435 V HA -0.280 3.861 4.120 0.037 0.000 0.248 435 V C 2.447 178.588 176.094 0.077 0.000 1.053 435 V CA 2.104 64.422 62.300 0.030 0.000 1.027 435 V CB -0.732 31.066 31.823 -0.041 0.000 0.646 435 V HN 0.506 nan 8.190 nan 0.000 0.447 436 A N -0.174 122.626 122.820 -0.033 0.000 1.902 436 A HA -0.251 4.091 4.320 0.037 0.000 0.217 436 A C 2.393 180.018 177.584 0.068 0.000 1.181 436 A CA 1.999 53.999 52.037 -0.063 0.000 0.623 436 A CB -0.587 18.341 19.000 -0.120 0.000 0.818 436 A HN 0.489 nan 8.150 nan 0.000 0.443 437 R N -0.274 120.268 120.500 0.070 0.000 2.105 437 R HA -0.068 4.294 4.340 0.037 0.000 0.239 437 R C 1.739 178.066 176.300 0.046 0.000 1.135 437 R CA 1.467 57.611 56.100 0.073 0.000 0.967 437 R CB -0.431 29.919 30.300 0.082 0.000 0.861 437 R HN 0.524 nan 8.270 nan 0.000 0.442 438 L N -0.405 120.821 121.223 0.006 0.000 2.353 438 L HA -0.134 4.228 4.340 0.037 0.000 0.220 438 L C 1.241 177.958 176.870 -0.255 0.000 1.133 438 L CA 1.037 55.799 54.840 -0.129 0.000 0.798 438 L CB -0.229 41.703 42.059 -0.211 0.000 0.922 438 L HN 0.330 nan 8.230 nan 0.000 0.445 439 H N -1.609 117.454 119.070 -0.011 0.000 2.551 439 H HA 0.113 4.692 4.556 0.038 0.000 0.271 439 H C 1.958 177.382 175.328 0.160 0.000 0.984 439 H CA 0.101 56.174 56.048 0.042 0.000 1.164 439 H CB 0.293 29.974 29.762 -0.136 0.000 1.437 439 H HN 0.168 nan 8.280 nan 0.000 0.550 440 L N -0.233 121.089 121.223 0.165 0.000 2.109 440 L HA -0.046 4.316 4.340 0.037 0.000 0.207 440 L C 2.542 179.474 176.870 0.104 0.000 1.086 440 L CA 0.933 55.856 54.840 0.139 0.000 0.760 440 L CB -0.351 41.764 42.059 0.092 0.000 0.910 440 L HN 0.357 nan 8.230 nan 0.000 0.437 441 A N 0.447 123.312 122.820 0.076 0.000 1.902 441 A HA -0.258 4.084 4.320 0.037 0.000 0.217 441 A C 2.321 179.937 177.584 0.053 0.000 1.181 441 A CA 1.803 53.870 52.037 0.049 0.000 0.623 441 A CB -0.484 18.533 19.000 0.027 0.000 0.818 441 A HN 0.306 nan 8.150 nan 0.000 0.443 442 R N 1.134 121.690 120.500 0.093 0.000 2.103 442 R HA -0.132 4.230 4.340 0.037 0.000 0.242 442 R C 1.548 177.847 176.300 -0.002 0.000 1.142 442 R CA 2.282 58.430 56.100 0.080 0.000 0.960 442 R CB -0.786 29.640 30.300 0.211 0.000 0.858 442 R HN 0.715 nan 8.270 nan 0.000 0.439 443 I N -3.675 116.895 120.570 0.000 0.000 3.904 443 I HA 0.461 4.653 4.170 0.037 0.000 0.333 443 I C 0.743 176.844 176.117 -0.026 0.000 1.361 443 I CA 0.353 61.611 61.300 -0.071 0.000 1.116 443 I CB 0.187 38.102 38.000 -0.142 0.000 1.028 443 I HN 0.287 nan 8.210 nan 0.000 0.398 444 G N 1.784 110.585 108.800 0.002 0.000 2.143 444 G HA2 -0.250 3.731 3.960 0.037 0.000 0.248 444 G HA3 -0.250 3.731 3.960 0.037 0.000 0.248 444 G C 0.389 175.296 174.900 0.011 0.000 0.991 444 G CA 0.051 45.152 45.100 0.003 0.000 0.689 444 G HN 0.923 nan 8.290 nan 0.000 0.522 445 A N 0.146 122.982 122.820 0.027 0.000 2.409 445 A HA 0.617 4.959 4.320 0.037 0.000 0.267 445 A C 0.518 178.120 177.584 0.030 0.000 1.127 445 A CA 0.079 52.135 52.037 0.032 0.000 0.795 445 A CB 0.386 19.418 19.000 0.053 0.000 1.061 445 A HN 0.308 nan 8.150 nan 0.000 0.502 446 Q N 2.062 121.874 119.800 0.020 0.000 2.390 446 Q HA 0.263 4.625 4.340 0.037 0.000 0.249 446 Q C -0.775 175.232 176.000 0.012 0.000 0.996 446 Q CA -0.501 55.311 55.803 0.015 0.000 0.899 446 Q CB 1.323 30.067 28.738 0.009 0.000 1.216 446 Q HN 0.676 nan 8.270 nan 0.000 0.465 447 L N 1.892 123.123 121.223 0.014 0.000 2.426 447 L HA 0.147 4.509 4.340 0.037 0.000 0.271 447 L C 0.027 176.890 176.870 -0.011 0.000 1.169 447 L CA 0.656 55.496 54.840 -0.000 0.000 0.836 447 L CB 0.852 42.916 42.059 0.009 0.000 1.112 447 L HN 0.423 nan 8.230 nan 0.000 0.465 448 S N 2.977 118.658 115.700 -0.032 0.000 2.713 448 S HA 0.463 4.955 4.470 0.037 0.000 0.283 448 S C -0.543 174.031 174.600 -0.043 0.000 1.161 448 S CA -0.672 57.509 58.200 -0.032 0.000 0.999 448 S CB 1.232 64.410 63.200 -0.036 0.000 1.039 448 S HN 0.644 nan 8.310 nan 0.000 0.548 449 E N 0.876 121.063 120.200 -0.021 0.000 2.210 449 E HA 0.383 4.755 4.350 0.037 0.000 0.266 449 E C -1.108 175.494 176.600 0.002 0.000 0.883 449 E CA -0.528 55.871 56.400 -0.002 0.000 0.761 449 E CB 0.913 30.628 29.700 0.024 0.000 1.156 449 E HN 0.456 nan 8.360 nan 0.000 0.412 450 L N 3.027 124.262 121.223 0.020 0.000 2.490 450 L HA 0.045 4.407 4.340 0.037 0.000 0.274 450 L C 0.763 177.660 176.870 0.044 0.000 1.201 450 L CA 0.078 54.941 54.840 0.040 0.000 0.869 450 L CB 0.532 42.644 42.059 0.088 0.000 1.123 450 L HN 0.572 nan 8.230 nan 0.000 0.484 451 S N 0.969 116.689 115.700 0.032 0.000 2.593 451 S HA 0.054 4.546 4.470 0.037 0.000 0.269 451 S C 0.766 175.393 174.600 0.045 0.000 1.334 451 S CA -0.815 57.403 58.200 0.030 0.000 1.015 451 S CB 1.084 64.293 63.200 0.016 0.000 0.912 451 S HN 0.614 nan 8.310 nan 0.000 0.541 452 D N 1.333 121.757 120.400 0.040 0.000 2.133 452 D HA -0.154 4.508 4.640 0.037 0.000 0.192 452 D C 1.296 177.628 176.300 0.054 0.000 1.001 452 D CA 1.776 55.803 54.000 0.045 0.000 0.844 452 D CB -0.477 40.343 40.800 0.034 0.000 0.944 452 D HN 0.665 nan 8.370 nan 0.000 0.447 453 D N 0.400 120.826 120.400 0.044 0.000 2.117 453 D HA -0.121 4.541 4.640 0.037 0.000 0.197 453 D C 2.211 178.562 176.300 0.085 0.000 0.987 453 D CA 0.790 54.822 54.000 0.052 0.000 0.829 453 D CB -0.245 40.566 40.800 0.018 0.000 0.961 453 D HN 0.357 nan 8.370 nan 0.000 0.460 454 Q N 0.023 119.862 119.800 0.066 0.000 2.079 454 Q HA -0.023 4.339 4.340 0.037 0.000 0.200 454 Q C 2.211 178.298 176.000 0.145 0.000 0.974 454 Q CA 1.291 57.153 55.803 0.097 0.000 0.840 454 Q CB -0.082 28.688 28.738 0.053 0.000 0.898 454 Q HN 0.222 nan 8.270 nan 0.000 0.430 455 A N 1.111 123.999 122.820 0.113 0.000 1.902 455 A HA -0.151 4.191 4.320 0.037 0.000 0.217 455 A C 2.285 179.931 177.584 0.104 0.000 1.181 455 A CA 1.651 53.757 52.037 0.114 0.000 0.623 455 A CB -0.816 18.243 19.000 0.099 0.000 0.818 455 A HN 0.402 nan 8.150 nan 0.000 0.443 456 A N -1.706 121.175 122.820 0.102 0.000 1.902 456 A HA -0.108 4.234 4.320 0.037 0.000 0.217 456 A C 2.154 179.803 177.584 0.108 0.000 1.181 456 A CA 1.649 53.739 52.037 0.089 0.000 0.623 456 A CB -0.781 18.268 19.000 0.082 0.000 0.818 456 A HN 0.708 nan 8.150 nan 0.000 0.443 457 Y N 1.026 121.340 120.300 0.023 0.000 2.242 457 Y HA -0.103 4.469 4.550 0.036 0.000 0.291 457 Y C 1.854 177.767 175.900 0.022 0.000 1.137 457 Y CA 1.811 59.923 58.100 0.020 0.000 1.181 457 Y CB -0.069 38.402 38.460 0.018 0.000 0.989 457 Y HN 0.422 nan 8.280 nan 0.000 0.527 458 I N -3.055 117.566 120.570 0.086 0.000 3.883 458 I HA 0.426 4.618 4.170 0.037 0.000 0.326 458 I C 1.276 177.393 176.117 -0.001 0.000 1.283 458 I CA 0.571 61.876 61.300 0.008 0.000 1.161 458 I CB -0.320 37.733 38.000 0.088 0.000 1.012 458 I HN 0.203 nan 8.210 nan 0.000 0.421 459 G N 2.581 111.388 108.800 0.011 0.000 2.272 459 G HA2 -0.167 3.815 3.960 0.037 0.000 0.280 459 G HA3 -0.167 3.815 3.960 0.037 0.000 0.280 459 G C -0.044 174.869 174.900 0.022 0.000 1.067 459 G CA 0.357 45.462 45.100 0.007 0.000 0.902 459 G HN 0.991 nan 8.290 nan 0.000 0.500 460 V N -3.187 116.756 119.914 0.049 0.000 3.040 460 V HA 0.936 5.078 4.120 0.037 0.000 0.312 460 V C 0.507 176.627 176.094 0.044 0.000 1.115 460 V CA -0.235 62.090 62.300 0.041 0.000 0.998 460 V CB 1.676 33.554 31.823 0.091 0.000 1.042 460 V HN 1.431 nan 8.190 nan 0.000 0.433 461 S N 1.266 116.962 115.700 -0.007 0.000 2.576 461 S HA 0.283 4.775 4.470 0.037 0.000 0.276 461 S C 0.999 175.632 174.600 0.055 0.000 1.339 461 S CA -0.017 58.182 58.200 -0.001 0.000 1.039 461 S CB 0.775 63.943 63.200 -0.054 0.000 0.902 461 S HN 0.866 nan 8.310 nan 0.000 0.516 462 K N 2.716 123.173 120.400 0.094 0.000 2.211 462 K HA -0.112 4.230 4.320 0.037 0.000 0.204 462 K C 1.832 178.568 176.600 0.227 0.000 1.047 462 K CA 1.414 57.807 56.287 0.176 0.000 0.935 462 K CB -0.342 32.226 32.500 0.113 0.000 0.728 462 K HN 0.707 nan 8.250 nan 0.000 0.452 463 A N 1.068 123.929 122.820 0.068 0.000 2.218 463 A HA 0.263 4.605 4.320 0.037 0.000 0.209 463 A C 0.882 178.320 177.584 -0.245 0.000 1.168 463 A CA 0.728 52.777 52.037 0.021 0.000 0.804 463 A CB -0.169 18.819 19.000 -0.020 0.000 0.834 463 A HN 0.382 nan 8.150 nan 0.000 0.482 464 G N -0.231 108.181 108.800 -0.647 0.000 2.760 464 G HA2 -0.088 3.894 3.960 0.037 0.000 0.246 464 G HA3 -0.088 3.894 3.960 0.037 0.000 0.246 464 G C -2.738 171.852 174.900 -0.517 0.000 1.359 464 G CA -0.448 43.859 45.100 -1.321 0.000 0.861 464 G HN 0.381 nan 8.290 nan 0.000 0.541 465 P HA 0.384 nan 4.420 nan 0.000 0.269 465 P C 0.175 177.197 177.300 -0.465 0.000 1.209 465 P CA -0.017 62.842 63.100 -0.402 0.000 0.776 465 P CB 0.261 31.910 31.700 -0.085 0.000 0.876 466 F N 0.110 120.084 119.950 0.041 0.000 2.746 466 F HA 0.203 4.753 4.527 0.037 0.000 0.297 466 F C 1.266 177.008 175.800 -0.097 0.000 1.113 466 F CA 0.749 58.743 58.000 -0.011 0.000 1.367 466 F CB 0.049 39.053 39.000 0.006 0.000 1.111 466 F HN 0.044 nan 8.300 nan 0.000 0.590 467 K N 0.304 120.714 120.400 0.016 0.000 2.477 467 K HA 0.431 4.773 4.320 0.037 0.000 0.255 467 K C -2.766 173.778 176.600 -0.095 0.000 0.952 467 K CA -2.077 54.103 56.287 -0.178 0.000 0.826 467 K CB 1.483 33.756 32.500 -0.377 0.000 1.331 467 K HN -0.273 nan 8.250 nan 0.000 0.437 468 P HA 0.165 nan 4.420 nan 0.000 0.272 468 P C 0.117 177.383 177.300 -0.056 0.000 1.240 468 P CA -0.162 62.885 63.100 -0.087 0.000 0.791 468 P CB 0.701 32.308 31.700 -0.156 0.000 0.978 469 D N -0.562 119.879 120.400 0.069 0.000 2.224 469 D HA -0.131 4.531 4.640 0.037 0.000 0.205 469 D C 1.494 177.886 176.300 0.154 0.000 0.965 469 D CA 1.212 55.292 54.000 0.135 0.000 0.852 469 D CB -0.247 40.649 40.800 0.159 0.000 0.947 469 D HN 0.619 nan 8.370 nan 0.000 0.494 470 H N -0.992 118.157 119.070 0.132 0.000 2.556 470 H HA -0.063 4.515 4.556 0.037 0.000 0.268 470 H C 0.187 175.594 175.328 0.132 0.000 0.996 470 H CA -0.240 55.876 56.048 0.115 0.000 1.157 470 H CB -0.998 28.811 29.762 0.077 0.000 1.355 470 H HN 0.091 nan 8.280 nan 0.000 0.597 471 Y N 2.790 122.887 120.300 -0.338 0.000 2.497 471 Y HA 0.076 4.648 4.550 0.036 0.000 0.334 471 Y C 1.236 177.056 175.900 -0.134 0.000 1.199 471 Y CA -0.011 57.883 58.100 -0.344 0.000 1.425 471 Y CB 0.665 38.816 38.460 -0.514 0.000 1.291 471 Y HN 0.013 nan 8.280 nan 0.000 0.562 472 R N 3.457 123.574 120.500 -0.638 0.000 2.308 472 R HA 0.080 4.442 4.340 0.037 0.000 0.202 472 R C -0.651 175.576 176.300 -0.123 0.000 0.898 472 R CA -0.013 55.939 56.100 -0.247 0.000 1.046 472 R CB -0.007 30.175 30.300 -0.197 0.000 1.026 472 R HN 0.825 nan 8.270 nan 0.000 0.512 473 Y N 0.000 119.966 120.300 -0.557 0.000 2.660 473 Y HA 0.000 4.571 4.550 0.034 0.000 0.201 473 Y CA 0.000 58.019 58.100 -0.136 0.000 1.940 473 Y CB 0.000 38.531 38.460 0.119 0.000 1.050 473 Y HN 0.000 nan 8.280 nan 0.000 0.758