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 1c8m_1_2 DATA FIRST_RESID 10 DATA SEQUENCE SDRIIQITRG DSTITSQDVA NAVVGYGVWP HYLTPQDATA IDKPTQPDTS DATA SEQUENCE SNRFYTLDSK MWNSTSKGWW WKLPDALKDM GIFGENMFYH FLGRSGYTVH DATA SEQUENCE VQCNASKFHQ GTLLVVMIPE HQLATVNKGN VNAGYKYTHP GEAGREVGTQ DATA SEQUENCE VENEKQPSDD NWLNFDGTLL GNLLIFPHQF INLRSNNSAT LIVPYVNAVP DATA SEQUENCE MDSMVRHNNW SLVIIPVCQL QSNNISNIVP ITVSISPMCA EFSGARAKTV DATA SEQUENCE VQ 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.605 174.600 0.008 0.000 1.055 10 S CA 0.000 58.203 58.200 0.005 0.000 1.107 10 S CB 0.000 63.203 63.200 0.005 0.000 0.593 11 D N 3.604 124.009 120.400 0.009 0.000 2.378 11 D HA -0.069 4.571 4.640 -0.000 0.000 0.227 11 D C 0.946 177.255 176.300 0.015 0.000 1.012 11 D CA -0.002 54.005 54.000 0.012 0.000 0.905 11 D CB 0.018 40.825 40.800 0.011 0.000 0.895 11 D HN 0.652 nan 8.370 nan 0.000 0.532 12 R N 0.496 121.005 120.500 0.014 0.000 2.586 12 R HA 0.409 4.749 4.340 -0.000 0.000 0.336 12 R C 0.193 176.505 176.300 0.018 0.000 1.060 12 R CA -0.341 55.770 56.100 0.018 0.000 1.079 12 R CB 0.178 30.488 30.300 0.017 0.000 1.317 12 R HN 0.121 nan 8.270 nan 0.000 0.568 13 I N 1.125 121.705 120.570 0.016 0.000 2.785 13 I HA 0.538 4.708 4.170 -0.000 0.000 0.302 13 I C -0.739 175.386 176.117 0.014 0.000 1.069 13 I CA -1.409 59.898 61.300 0.013 0.000 1.045 13 I CB 2.604 40.608 38.000 0.006 0.000 1.236 13 I HN 0.049 nan 8.210 nan 0.000 0.429 14 I N 3.617 124.191 120.570 0.008 0.000 2.775 14 I HA 0.270 4.440 4.170 -0.000 0.000 0.295 14 I C -1.607 174.494 176.117 -0.028 0.000 1.287 14 I CA -0.271 61.031 61.300 0.003 0.000 1.029 14 I CB 2.400 40.414 38.000 0.023 0.000 1.282 14 I HN 0.577 nan 8.210 nan 0.000 0.426 15 Q N 7.471 127.256 119.800 -0.024 0.000 2.292 15 Q HA 0.587 4.927 4.340 -0.000 0.000 0.270 15 Q C -1.976 174.013 176.000 -0.018 0.000 1.024 15 Q CA -0.664 55.114 55.803 -0.041 0.000 0.768 15 Q CB 2.067 30.790 28.738 -0.024 0.000 1.250 15 Q HN 0.605 nan 8.270 nan 0.000 0.447 16 I N 2.846 123.396 120.570 -0.034 0.000 2.389 16 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 16 I C -0.501 175.693 176.117 0.127 0.000 0.999 16 I CA -0.592 60.748 61.300 0.067 0.000 1.129 16 I CB 2.197 40.267 38.000 0.117 0.000 1.288 16 I HN 0.441 nan 8.210 nan 0.000 0.444 17 T N 6.301 120.921 114.554 0.111 0.000 2.779 17 T HA 0.534 4.884 4.350 -0.000 0.000 0.280 17 T C -0.315 174.427 174.700 0.070 0.000 0.987 17 T CA -0.750 61.407 62.100 0.095 0.000 0.966 17 T CB 0.883 69.777 68.868 0.044 0.000 0.933 17 T HN 0.351 nan 8.240 nan 0.000 0.442 18 R N 2.368 122.898 120.500 0.051 0.000 2.502 18 R HA 0.588 4.928 4.340 -0.000 0.000 0.298 18 R C 0.803 177.063 176.300 -0.066 0.000 1.018 18 R CA -0.280 55.769 56.100 -0.086 0.000 0.899 18 R CB 1.360 31.445 30.300 -0.359 0.000 1.181 18 R HN 0.959 nan 8.270 nan 0.000 0.444 19 G N 3.375 112.145 108.800 -0.050 0.000 2.591 19 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.298 19 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.298 19 G C 0.105 174.999 174.900 -0.011 0.000 1.195 19 G CA 0.568 45.648 45.100 -0.034 0.000 0.989 19 G HN 0.640 nan 8.290 nan 0.000 0.551 20 D N 1.555 121.948 120.400 -0.011 0.000 2.342 20 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 20 D C 0.974 177.280 176.300 0.011 0.000 1.101 20 D CA 0.956 54.958 54.000 0.003 0.000 0.837 20 D CB 0.256 41.059 40.800 0.005 0.000 0.938 20 D HN 0.617 nan 8.370 nan 0.000 0.508 21 S N -0.343 115.374 115.700 0.030 0.000 2.532 21 S HA 0.639 5.109 4.470 -0.000 0.000 0.301 21 S C -0.164 174.495 174.600 0.097 0.000 1.083 21 S CA -0.529 57.712 58.200 0.068 0.000 1.025 21 S CB 2.706 65.988 63.200 0.137 0.000 1.056 21 S HN -0.173 nan 8.310 nan 0.000 0.494 22 T N 2.561 117.127 114.554 0.019 0.000 2.881 22 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 22 T C -0.795 173.812 174.700 -0.154 0.000 1.000 22 T CA -0.459 61.628 62.100 -0.022 0.000 0.978 22 T CB 0.637 69.490 68.868 -0.025 0.000 0.997 22 T HN 0.653 nan 8.240 nan 0.000 0.443 23 I N 3.198 123.607 120.570 -0.268 0.000 2.569 23 I HA 0.567 4.737 4.170 -0.000 0.000 0.296 23 I C 0.381 176.306 176.117 -0.319 0.000 1.028 23 I CA -0.758 60.278 61.300 -0.439 0.000 1.082 23 I CB 2.350 39.793 38.000 -0.928 0.000 1.264 23 I HN 0.690 nan 8.210 nan 0.000 0.429 24 T N 1.158 115.570 114.554 -0.236 0.000 2.916 24 T HA 0.704 5.054 4.350 -0.000 0.000 0.292 24 T C -0.668 173.985 174.700 -0.078 0.000 1.064 24 T CA -0.875 61.142 62.100 -0.138 0.000 1.011 24 T CB 2.082 70.903 68.868 -0.079 0.000 1.152 24 T HN 0.522 nan 8.240 nan 0.000 0.510 25 S N -0.189 115.498 115.700 -0.021 0.000 2.543 25 S HA 0.327 4.797 4.470 -0.000 0.000 0.273 25 S C -0.616 173.996 174.600 0.020 0.000 1.152 25 S CA -0.632 57.589 58.200 0.035 0.000 0.910 25 S CB 1.779 65.050 63.200 0.119 0.000 1.105 25 S HN 0.782 nan 8.310 nan 0.000 0.465 26 Q N 1.828 121.638 119.800 0.017 0.000 2.198 26 Q HA 0.297 4.637 4.340 -0.000 0.000 0.209 26 Q C -0.903 175.108 176.000 0.018 0.000 0.848 26 Q CA 0.047 55.858 55.803 0.013 0.000 0.974 26 Q CB 0.473 29.215 28.738 0.007 0.000 1.115 26 Q HN 0.558 nan 8.270 nan 0.000 0.494 27 D N 1.331 121.746 120.400 0.024 0.000 2.823 27 D HA 0.117 4.757 4.640 -0.000 0.000 0.255 27 D C -0.617 175.701 176.300 0.029 0.000 1.257 27 D CA 0.071 54.086 54.000 0.024 0.000 0.803 27 D CB 1.506 42.319 40.800 0.022 0.000 1.384 27 D HN 0.014 nan 8.370 nan 0.000 0.541 28 V N -1.847 118.087 119.914 0.033 0.000 3.211 28 V HA 0.944 5.064 4.120 -0.000 0.000 0.319 28 V C 0.180 176.293 176.094 0.031 0.000 1.096 28 V CA -0.693 61.629 62.300 0.037 0.000 1.029 28 V CB 1.954 33.808 31.823 0.052 0.000 1.137 28 V HN 0.254 nan 8.190 nan 0.000 0.453 29 A N 1.461 124.299 122.820 0.030 0.000 3.248 29 A HA 0.555 4.875 4.320 -0.000 0.000 0.315 29 A C 0.204 177.802 177.584 0.023 0.000 0.974 29 A CA 0.123 52.178 52.037 0.030 0.000 0.939 29 A CB -1.327 17.697 19.000 0.040 0.000 1.061 29 A HN 1.326 nan 8.150 nan 0.000 0.481 30 N N -0.952 117.763 118.700 0.026 0.000 4.875 30 N HA -0.085 4.654 4.740 -0.000 0.000 0.299 30 N C -0.116 175.411 175.510 0.028 0.000 0.905 30 N CA 0.804 53.870 53.050 0.026 0.000 1.035 30 N CB -0.523 37.975 38.487 0.018 0.000 0.829 30 N HN 1.393 nan 8.380 nan 0.000 0.545 31 A N -0.669 122.167 122.820 0.027 0.000 2.515 31 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 31 A C -1.202 176.382 177.584 -0.000 0.000 1.094 31 A CA -0.428 51.623 52.037 0.024 0.000 0.718 31 A CB 1.889 20.926 19.000 0.062 0.000 1.307 31 A HN 0.402 nan 8.150 nan 0.000 0.408 32 V N 1.059 120.950 119.914 -0.039 0.000 2.495 32 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 32 V C -0.598 175.452 176.094 -0.074 0.000 1.031 32 V CA -0.500 61.760 62.300 -0.067 0.000 0.871 32 V CB 1.730 33.473 31.823 -0.133 0.000 0.988 32 V HN 0.652 nan 8.190 nan 0.000 0.432 33 V N 4.023 123.917 119.914 -0.034 0.000 2.294 33 V HA 0.446 4.566 4.120 -0.000 0.000 0.272 33 V C 0.998 177.055 176.094 -0.062 0.000 1.027 33 V CA -0.555 61.724 62.300 -0.035 0.000 0.823 33 V CB 1.216 33.109 31.823 0.118 0.000 1.030 33 V HN 1.014 nan 8.190 nan 0.000 0.457 34 G N 3.823 112.528 108.800 -0.158 0.000 2.150 34 G HA2 0.074 4.034 3.960 -0.000 0.000 0.250 34 G HA3 0.074 4.034 3.960 -0.000 0.000 0.250 34 G C 0.148 175.022 174.900 -0.044 0.000 1.179 34 G CA 0.405 45.369 45.100 -0.228 0.000 0.934 34 G HN 0.874 nan 8.290 nan 0.000 0.453 35 Y N -0.182 120.187 120.300 0.115 0.000 4.538 35 Y HA -0.291 4.258 4.550 -0.000 0.000 0.225 35 Y C 2.130 178.091 175.900 0.102 0.000 1.074 35 Y CA 1.495 59.667 58.100 0.119 0.000 1.942 35 Y CB -1.583 36.967 38.460 0.149 0.000 1.618 35 Y HN 1.862 nan 8.280 nan 0.000 0.642 36 G N -1.339 107.570 108.800 0.183 0.000 2.168 36 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.257 36 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.257 36 G C -0.130 174.882 174.900 0.188 0.000 0.997 36 G CA 0.210 45.407 45.100 0.161 0.000 0.708 36 G HN 0.695 nan 8.290 nan 0.000 0.520 37 V N 0.922 120.965 119.914 0.214 0.000 2.448 37 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 37 V C 0.320 176.562 176.094 0.247 0.000 1.025 37 V CA -1.185 61.257 62.300 0.237 0.000 0.859 37 V CB 1.786 33.761 31.823 0.254 0.000 0.988 37 V HN 0.319 nan 8.190 nan 0.000 0.431 38 W N 7.138 128.500 121.300 0.104 0.000 2.316 38 W HA 0.382 5.042 4.660 0.000 0.000 0.321 38 W C -2.317 174.282 176.519 0.134 0.000 1.203 38 W CA -2.235 55.154 57.345 0.074 0.000 1.214 38 W CB 1.815 31.297 29.460 0.036 0.000 1.169 38 W HN 0.368 nan 8.180 nan 0.000 0.561 39 P HA -0.038 nan 4.420 nan 0.000 0.265 39 P C -0.701 176.620 177.300 0.036 0.000 1.193 39 P CA 1.059 64.064 63.100 -0.159 0.000 0.765 39 P CB 0.560 32.031 31.700 -0.382 0.000 0.823 40 H N 0.549 119.575 119.070 -0.073 0.000 2.980 40 H HA 0.352 4.908 4.556 0.000 0.000 0.367 40 H C -0.783 174.467 175.328 -0.131 0.000 1.206 40 H CA -0.922 55.086 56.048 -0.066 0.000 1.126 40 H CB 0.151 29.947 29.762 0.057 0.000 1.838 40 H HN 0.254 nan 8.280 nan 0.000 0.552 41 Y N 0.370 120.690 120.300 0.034 0.000 2.357 41 Y HA 0.074 4.624 4.550 -0.000 0.000 0.340 41 Y C 0.982 176.866 175.900 -0.026 0.000 1.260 41 Y CA -0.677 57.391 58.100 -0.055 0.000 1.425 41 Y CB 0.582 39.029 38.460 -0.022 0.000 1.326 41 Y HN 0.387 nan 8.280 nan 0.000 0.580 42 L N 2.895 124.182 121.223 0.106 0.000 2.455 42 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 42 L C 0.326 177.245 176.870 0.081 0.000 1.174 42 L CA -0.049 54.815 54.840 0.040 0.000 0.869 42 L CB -0.047 41.985 42.059 -0.044 0.000 1.130 42 L HN 0.725 nan 8.230 nan 0.000 0.474 43 T N 3.393 118.004 114.554 0.096 0.000 2.899 43 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 43 T C -1.744 172.980 174.700 0.041 0.000 1.004 43 T CA -1.422 60.723 62.100 0.075 0.000 1.043 43 T CB 0.960 69.879 68.868 0.084 0.000 1.013 43 T HN 0.611 nan 8.240 nan 0.000 0.518 44 P HA -0.129 nan 4.420 nan 0.000 0.225 44 P C 1.283 178.595 177.300 0.021 0.000 1.148 44 P CA 0.911 64.021 63.100 0.017 0.000 0.779 44 P CB 0.156 31.862 31.700 0.011 0.000 0.780 45 Q N -0.433 119.383 119.800 0.027 0.000 2.245 45 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 45 Q C 0.834 176.852 176.000 0.030 0.000 0.955 45 Q CA 1.140 56.959 55.803 0.026 0.000 0.870 45 Q CB -0.750 28.003 28.738 0.026 0.000 0.945 45 Q HN 0.252 nan 8.270 nan 0.000 0.461 46 D N 1.025 121.448 120.400 0.038 0.000 2.389 46 D HA 0.247 4.887 4.640 -0.000 0.000 0.206 46 D C 0.330 176.647 176.300 0.028 0.000 1.055 46 D CA 0.331 54.355 54.000 0.040 0.000 0.856 46 D CB 0.298 41.134 40.800 0.061 0.000 0.957 46 D HN 0.280 nan 8.370 nan 0.000 0.509 47 A N -0.060 122.772 122.820 0.019 0.000 2.406 47 A HA 0.358 4.678 4.320 -0.000 0.000 0.243 47 A C 1.309 178.899 177.584 0.010 0.000 1.082 47 A CA 0.557 52.598 52.037 0.006 0.000 0.786 47 A CB 0.717 19.717 19.000 0.001 0.000 1.029 47 A HN 0.104 nan 8.150 nan 0.000 0.495 48 T N -1.064 113.495 114.554 0.008 0.000 3.236 48 T HA 0.357 4.707 4.350 -0.000 0.000 0.265 48 T C 0.656 175.369 174.700 0.023 0.000 0.912 48 T CA 0.850 62.960 62.100 0.017 0.000 0.946 48 T CB -0.444 68.437 68.868 0.022 0.000 1.241 48 T HN 1.407 nan 8.240 nan 0.000 0.513 49 A N 2.768 125.599 122.820 0.019 0.000 2.410 49 A HA 0.496 4.816 4.320 -0.000 0.000 0.292 49 A C 1.486 179.087 177.584 0.029 0.000 1.232 49 A CA -0.334 51.725 52.037 0.036 0.000 0.893 49 A CB -0.801 18.220 19.000 0.035 0.000 1.131 49 A HN 0.772 nan 8.150 nan 0.000 0.530 50 I N 0.665 121.255 120.570 0.034 0.000 2.700 50 I HA -0.087 4.083 4.170 -0.000 0.000 0.261 50 I C 0.363 176.496 176.117 0.026 0.000 1.219 50 I CA 0.442 61.758 61.300 0.026 0.000 1.463 50 I CB -0.468 37.547 38.000 0.025 0.000 1.092 50 I HN 0.583 nan 8.210 nan 0.000 0.452 51 D N 2.395 122.818 120.400 0.037 0.000 2.339 51 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 51 D C -0.347 175.968 176.300 0.025 0.000 1.115 51 D CA -0.453 53.569 54.000 0.037 0.000 0.917 51 D CB 1.141 41.976 40.800 0.059 0.000 1.192 51 D HN 0.165 nan 8.370 nan 0.000 0.428 52 K N 1.521 121.932 120.400 0.019 0.000 2.412 52 K HA 0.182 4.502 4.320 -0.000 0.000 0.284 52 K C -2.148 174.455 176.600 0.006 0.000 1.046 52 K CA -1.070 55.219 56.287 0.003 0.000 0.999 52 K CB 0.220 32.721 32.500 0.001 0.000 0.941 52 K HN 0.307 nan 8.250 nan 0.000 0.474 53 P HA 0.019 nan 4.420 nan 0.000 0.272 53 P C -0.823 176.464 177.300 -0.023 0.000 1.230 53 P CA -0.476 62.604 63.100 -0.033 0.000 0.788 53 P CB 1.006 32.662 31.700 -0.073 0.000 0.949 54 T N 1.181 115.731 114.554 -0.008 0.000 2.829 54 T HA 0.313 4.663 4.350 -0.000 0.000 0.282 54 T C -0.811 173.924 174.700 0.058 0.000 0.990 54 T CA -0.510 61.607 62.100 0.029 0.000 1.028 54 T CB 0.077 68.982 68.868 0.061 0.000 0.951 54 T HN 0.287 nan 8.240 nan 0.000 0.460 55 Q N 5.049 124.878 119.800 0.049 0.000 2.558 55 Q HA 0.263 4.603 4.340 -0.000 0.000 0.252 55 Q C -1.905 174.170 176.000 0.125 0.000 1.015 55 Q CA -1.830 54.027 55.803 0.091 0.000 0.720 55 Q CB 1.707 30.423 28.738 -0.037 0.000 1.215 55 Q HN 0.511 nan 8.270 nan 0.000 0.500 56 P HA -0.223 nan 4.420 nan 0.000 0.220 56 P C 0.105 177.489 177.300 0.140 0.000 1.144 56 P CA 1.253 64.449 63.100 0.161 0.000 0.800 56 P CB 0.293 32.123 31.700 0.216 0.000 0.772 57 D N -1.596 118.899 120.400 0.159 0.000 3.685 57 D HA -0.241 4.399 4.640 -0.000 0.000 0.152 57 D C 1.243 177.599 176.300 0.094 0.000 0.966 57 D CA 2.693 56.770 54.000 0.129 0.000 1.085 57 D CB -1.590 39.269 40.800 0.097 0.000 0.521 57 D HN 0.227 nan 8.370 nan 0.000 0.543 58 T N -2.289 112.304 114.554 0.064 0.000 2.977 58 T HA -0.009 4.341 4.350 -0.000 0.000 0.271 58 T C 1.849 176.576 174.700 0.045 0.000 1.105 58 T CA 2.123 64.245 62.100 0.037 0.000 1.116 58 T CB -0.336 68.547 68.868 0.025 0.000 0.878 58 T HN 0.195 nan 8.240 nan 0.000 0.509 59 S N 1.097 116.846 115.700 0.082 0.000 2.496 59 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 59 S C 2.194 176.900 174.600 0.177 0.000 0.996 59 S CA 0.769 59.034 58.200 0.108 0.000 0.927 59 S CB -0.126 63.138 63.200 0.107 0.000 0.774 59 S HN 0.879 nan 8.310 nan 0.000 0.524 60 S N 0.446 116.269 115.700 0.206 0.000 2.619 60 S HA 0.204 4.674 4.470 -0.000 0.000 0.238 60 S C 0.254 174.966 174.600 0.187 0.000 1.068 60 S CA -0.452 57.962 58.200 0.356 0.000 0.926 60 S CB -0.130 63.381 63.200 0.519 0.000 0.864 60 S HN 0.225 nan 8.310 nan 0.000 0.493 61 N N 3.866 122.601 118.700 0.058 0.000 3.124 61 N HA 0.302 5.042 4.740 -0.000 0.000 0.284 61 N C -0.262 175.120 175.510 -0.213 0.000 1.209 61 N CA -0.053 52.942 53.050 -0.093 0.000 1.149 61 N CB 0.073 38.520 38.487 -0.067 0.000 1.434 61 N HN 0.692 nan 8.380 nan 0.000 0.529 62 R N -1.120 119.160 120.500 -0.367 0.000 2.764 62 R HA 0.435 4.775 4.340 -0.000 0.000 0.270 62 R C -1.120 174.779 176.300 -0.668 0.000 1.014 62 R CA -0.757 55.077 56.100 -0.443 0.000 0.904 62 R CB 0.656 30.753 30.300 -0.338 0.000 1.236 62 R HN -0.148 nan 8.270 nan 0.000 0.466 63 F N 1.400 121.112 119.950 -0.397 0.000 2.495 63 F HA 0.237 4.764 4.527 -0.000 0.000 0.365 63 F C -0.285 175.278 175.800 -0.395 0.000 1.090 63 F CA 0.347 58.147 58.000 -0.334 0.000 1.235 63 F CB 0.562 39.448 39.000 -0.190 0.000 1.119 63 F HN 0.287 nan 8.300 nan 0.000 0.562 64 Y N 1.411 121.788 120.300 0.128 0.000 2.328 64 Y HA 0.305 4.855 4.550 -0.000 0.000 0.336 64 Y C 0.185 176.105 175.900 0.034 0.000 0.960 64 Y CA -1.059 57.075 58.100 0.058 0.000 1.134 64 Y CB 1.698 40.166 38.460 0.012 0.000 1.166 64 Y HN 0.379 nan 8.280 nan 0.000 0.464 65 T N 5.467 120.119 114.554 0.164 0.000 2.743 65 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 65 T C 0.032 174.748 174.700 0.026 0.000 0.945 65 T CA -0.578 61.553 62.100 0.052 0.000 1.030 65 T CB 0.246 69.123 68.868 0.015 0.000 0.912 65 T HN 0.193 nan 8.240 nan 0.000 0.483 66 L N 2.532 123.728 121.223 -0.045 0.000 2.482 66 L HA 0.311 4.651 4.340 -0.000 0.000 0.242 66 L C 0.908 177.774 176.870 -0.007 0.000 1.210 66 L CA -0.191 54.622 54.840 -0.044 0.000 0.819 66 L CB 0.131 42.081 42.059 -0.181 0.000 1.203 66 L HN 0.532 nan 8.230 nan 0.000 0.495 67 D N -0.242 120.191 120.400 0.055 0.000 2.414 67 D HA 0.099 4.739 4.640 -0.000 0.000 0.242 67 D C -0.128 176.205 176.300 0.055 0.000 1.129 67 D CA 0.141 54.179 54.000 0.063 0.000 0.885 67 D CB 0.620 41.475 40.800 0.092 0.000 1.198 67 D HN 0.378 nan 8.370 nan 0.000 0.437 68 S N 1.847 117.560 115.700 0.020 0.000 2.603 68 S HA 0.257 4.727 4.470 -0.000 0.000 0.268 68 S C 0.424 175.023 174.600 -0.001 0.000 1.317 68 S CA -0.484 57.710 58.200 -0.010 0.000 1.012 68 S CB 0.998 64.188 63.200 -0.018 0.000 0.926 68 S HN 0.201 nan 8.310 nan 0.000 0.539 69 K N 1.311 121.665 120.400 -0.075 0.000 2.328 69 K HA 0.489 4.809 4.320 -0.000 0.000 0.246 69 K C -0.808 175.755 176.600 -0.061 0.000 0.955 69 K CA -0.475 55.744 56.287 -0.112 0.000 0.817 69 K CB 1.654 33.864 32.500 -0.483 0.000 1.208 69 K HN 0.575 nan 8.250 nan 0.000 0.432 70 M N 1.489 121.146 119.600 0.095 0.000 2.180 70 M HA 0.226 4.706 4.480 -0.000 0.000 0.350 70 M C -0.826 175.709 176.300 0.391 0.000 1.125 70 M CA -0.747 54.664 55.300 0.184 0.000 1.031 70 M CB 1.123 33.824 32.600 0.168 0.000 1.623 70 M HN 0.415 nan 8.290 nan 0.000 0.451 71 W N 6.234 127.625 121.300 0.152 0.000 2.335 71 W HA 0.394 5.054 4.660 -0.000 0.000 0.307 71 W C -0.946 175.709 176.519 0.226 0.000 1.117 71 W CA -0.878 56.647 57.345 0.300 0.000 1.228 71 W CB 0.446 30.026 29.460 0.201 0.000 1.240 71 W HN 0.731 nan 8.180 nan 0.000 0.468 72 N N 1.135 120.145 118.700 0.516 0.000 2.629 72 N HA 0.327 5.067 4.740 -0.000 0.000 0.279 72 N C 0.530 176.147 175.510 0.178 0.000 1.344 72 N CA -0.181 52.985 53.050 0.194 0.000 0.789 72 N CB 0.971 39.554 38.487 0.160 0.000 1.508 72 N HN 0.109 nan 8.380 nan 0.000 0.516 73 S N -2.074 113.665 115.700 0.065 0.000 2.488 73 S HA -0.213 4.257 4.470 -0.000 0.000 0.246 73 S C 1.155 175.823 174.600 0.112 0.000 0.992 73 S CA 1.511 59.751 58.200 0.067 0.000 0.963 73 S CB -1.288 61.925 63.200 0.022 0.000 0.754 73 S HN 0.879 nan 8.310 nan 0.000 0.519 74 T N -2.299 112.331 114.554 0.126 0.000 3.044 74 T HA 0.324 4.674 4.350 -0.000 0.000 0.260 74 T C 0.398 175.150 174.700 0.087 0.000 1.019 74 T CA -0.257 61.899 62.100 0.094 0.000 0.921 74 T CB -0.154 68.750 68.868 0.060 0.000 1.053 74 T HN 0.205 nan 8.240 nan 0.000 0.533 75 S N 2.026 117.818 115.700 0.153 0.000 2.558 75 S HA 0.175 4.645 4.470 -0.000 0.000 0.293 75 S C 0.877 175.402 174.600 -0.125 0.000 1.292 75 S CA -0.251 57.954 58.200 0.007 0.000 1.063 75 S CB 0.911 64.216 63.200 0.176 0.000 0.831 75 S HN 0.446 nan 8.310 nan 0.000 0.499 76 K N 1.105 121.327 120.400 -0.297 0.000 2.360 76 K HA 0.312 4.632 4.320 -0.000 0.000 0.196 76 K C 0.892 177.308 176.600 -0.306 0.000 1.049 76 K CA 0.245 56.409 56.287 -0.205 0.000 1.049 76 K CB 0.606 33.048 32.500 -0.096 0.000 0.881 76 K HN 0.865 nan 8.250 nan 0.000 0.542 77 G N 0.465 108.789 108.800 -0.793 0.000 2.369 77 G HA2 0.053 4.013 3.960 -0.000 0.000 0.307 77 G HA3 0.053 4.013 3.960 -0.000 0.000 0.307 77 G C -2.110 172.209 174.900 -0.969 0.000 1.327 77 G CA -1.064 43.627 45.100 -0.680 0.000 0.963 77 G HN 0.033 nan 8.290 nan 0.000 0.590 78 W N -0.211 121.050 121.300 -0.066 0.000 3.296 78 W HA 0.670 5.329 4.660 -0.000 0.000 0.314 78 W C -0.778 175.586 176.519 -0.259 0.000 1.238 78 W CA -1.207 55.919 57.345 -0.365 0.000 1.193 78 W CB 1.961 31.157 29.460 -0.439 0.000 1.383 78 W HN 0.991 nan 8.180 nan 0.000 0.545 79 W N 1.126 122.174 121.300 -0.421 0.000 3.167 79 W HA 0.682 5.342 4.660 -0.000 0.000 0.324 79 W C -1.827 174.459 176.519 -0.388 0.000 1.230 79 W CA -1.524 55.688 57.345 -0.221 0.000 1.184 79 W CB 1.318 30.688 29.460 -0.151 0.000 1.414 79 W HN 0.392 nan 8.180 nan 0.000 0.551 80 W N 1.663 123.226 121.300 0.438 0.000 3.033 80 W HA 0.452 5.112 4.660 -0.000 0.000 0.336 80 W C -0.710 175.964 176.519 0.258 0.000 1.173 80 W CA -1.091 56.422 57.345 0.280 0.000 1.185 80 W CB 3.005 32.520 29.460 0.092 0.000 1.425 80 W HN 0.139 nan 8.180 nan 0.000 0.536 81 K N 2.074 122.709 120.400 0.392 0.000 2.259 81 K HA 0.682 5.002 4.320 -0.000 0.000 0.252 81 K C -0.782 175.873 176.600 0.091 0.000 0.936 81 K CA -0.863 55.521 56.287 0.163 0.000 0.810 81 K CB 2.496 35.009 32.500 0.021 0.000 1.143 81 K HN 0.258 nan 8.250 nan 0.000 0.427 82 L N 3.391 124.631 121.223 0.029 0.000 2.334 82 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 82 L C -1.565 175.351 176.870 0.077 0.000 1.013 82 L CA -2.049 52.773 54.840 -0.030 0.000 0.816 82 L CB 1.968 43.827 42.059 -0.334 0.000 1.278 82 L HN 0.488 nan 8.230 nan 0.000 0.431 83 P HA -0.092 nan 4.420 nan 0.000 0.242 83 P C 0.686 178.128 177.300 0.237 0.000 1.197 83 P CA 0.549 63.822 63.100 0.289 0.000 0.765 83 P CB 0.236 32.221 31.700 0.475 0.000 0.936 84 D N 1.641 122.137 120.400 0.161 0.000 2.133 84 D HA -0.226 4.414 4.640 -0.000 0.000 0.192 84 D C 2.018 178.436 176.300 0.197 0.000 1.001 84 D CA 1.942 56.054 54.000 0.187 0.000 0.844 84 D CB -0.619 40.226 40.800 0.075 0.000 0.944 84 D HN 0.072 nan 8.370 nan 0.000 0.447 85 A N -0.305 122.611 122.820 0.161 0.000 2.076 85 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 85 A C 2.062 179.717 177.584 0.119 0.000 1.160 85 A CA 0.969 53.104 52.037 0.163 0.000 0.653 85 A CB -0.532 18.552 19.000 0.139 0.000 0.801 85 A HN 0.438 nan 8.150 nan 0.000 0.455 86 L N -0.407 120.901 121.223 0.142 0.000 2.741 86 L HA 0.059 4.399 4.340 -0.000 0.000 0.237 86 L C 1.965 178.974 176.870 0.232 0.000 1.178 86 L CA 0.381 55.297 54.840 0.127 0.000 0.973 86 L CB -0.124 42.007 42.059 0.119 0.000 1.255 86 L HN 0.540 nan 8.230 nan 0.000 0.498 87 K N -0.685 119.876 120.400 0.267 0.000 2.280 87 K HA -0.180 4.140 4.320 -0.000 0.000 0.202 87 K C 0.639 177.398 176.600 0.264 0.000 1.047 87 K CA 1.554 58.067 56.287 0.375 0.000 0.942 87 K CB 0.010 32.809 32.500 0.498 0.000 0.739 87 K HN 0.083 nan 8.250 nan 0.000 0.457 88 D N 0.329 120.806 120.400 0.128 0.000 2.670 88 D HA 0.134 4.774 4.640 -0.000 0.000 0.255 88 D C -0.684 175.620 176.300 0.006 0.000 1.286 88 D CA -0.223 53.811 54.000 0.057 0.000 0.830 88 D CB 0.339 41.159 40.800 0.033 0.000 1.065 88 D HN 0.030 nan 8.370 nan 0.000 0.486 89 M N 0.807 120.376 119.600 -0.052 0.000 2.055 89 M HA 0.375 4.855 4.480 -0.000 0.000 0.346 89 M C 1.185 177.351 176.300 -0.224 0.000 1.074 89 M CA -0.359 54.778 55.300 -0.272 0.000 1.009 89 M CB 0.375 32.526 32.600 -0.748 0.000 1.423 89 M HN 0.189 nan 8.290 nan 0.000 0.410 90 G N 3.913 112.705 108.800 -0.013 0.000 2.602 90 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.317 90 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.317 90 G C 1.010 175.994 174.900 0.141 0.000 1.327 90 G CA -0.102 45.070 45.100 0.120 0.000 0.971 90 G HN 0.577 nan 8.290 nan 0.000 0.540 91 I N -0.169 120.522 120.570 0.202 0.000 2.361 91 I HA -0.061 4.109 4.170 -0.000 0.000 0.251 91 I C 2.531 178.750 176.117 0.170 0.000 1.133 91 I CA 1.971 63.369 61.300 0.163 0.000 1.413 91 I CB -1.170 36.925 38.000 0.158 0.000 1.073 91 I HN 0.472 nan 8.210 nan 0.000 0.424 92 F N 1.951 121.987 119.950 0.144 0.000 2.102 92 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 92 F C 2.447 178.292 175.800 0.076 0.000 1.105 92 F CA 1.813 59.910 58.000 0.161 0.000 1.239 92 F CB -0.620 38.542 39.000 0.271 0.000 0.991 92 F HN 0.058 nan 8.300 nan 0.000 0.474 93 G N -0.138 108.780 108.800 0.197 0.000 2.418 93 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 93 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 93 G C 1.536 176.547 174.900 0.185 0.000 1.158 93 G CA 0.821 46.030 45.100 0.182 0.000 0.771 93 G HN 0.336 nan 8.290 nan 0.000 0.545 94 E N 1.131 121.410 120.200 0.132 0.000 2.077 94 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 94 E C 2.361 179.056 176.600 0.158 0.000 0.989 94 E CA 0.563 57.089 56.400 0.210 0.000 0.800 94 E CB -0.412 29.386 29.700 0.162 0.000 0.746 94 E HN 0.386 nan 8.360 nan 0.000 0.452 95 N N 1.106 119.694 118.700 -0.188 0.000 2.223 95 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 95 N C 2.052 177.234 175.510 -0.547 0.000 1.016 95 N CA 1.428 54.148 53.050 -0.551 0.000 0.863 95 N CB -0.198 37.398 38.487 -1.485 0.000 0.983 95 N HN 0.351 nan 8.380 nan 0.000 0.429 96 M N -2.220 117.097 119.600 -0.472 0.000 2.476 96 M HA 0.056 4.536 4.480 -0.000 0.000 0.262 96 M C 0.857 176.940 176.300 -0.361 0.000 1.079 96 M CA 1.332 56.450 55.300 -0.302 0.000 1.104 96 M CB -0.324 32.073 32.600 -0.338 0.000 1.409 96 M HN -0.117 nan 8.290 nan 0.000 0.467 97 F N -1.125 118.826 119.950 0.001 0.000 2.656 97 F HA 0.188 4.715 4.527 -0.000 0.000 0.291 97 F C 1.364 177.101 175.800 -0.106 0.000 1.122 97 F CA 0.347 58.322 58.000 -0.041 0.000 1.427 97 F CB -0.002 38.933 39.000 -0.108 0.000 1.125 97 F HN -0.031 nan 8.300 nan 0.000 0.583 98 Y N -1.240 119.081 120.300 0.035 0.000 2.544 98 Y HA 0.046 4.596 4.550 -0.000 0.000 0.286 98 Y C 0.196 175.924 175.900 -0.287 0.000 1.141 98 Y CA 0.441 58.457 58.100 -0.141 0.000 1.299 98 Y CB -0.302 37.994 38.460 -0.273 0.000 1.030 98 Y HN -0.035 nan 8.280 nan 0.000 0.543 99 H N -2.336 116.821 119.070 0.145 0.000 2.569 99 H HA 0.152 4.708 4.556 -0.000 0.000 0.357 99 H C 0.375 175.819 175.328 0.194 0.000 1.153 99 H CA -0.795 55.350 56.048 0.162 0.000 1.193 99 H CB 1.212 31.073 29.762 0.164 0.000 1.602 99 H HN 0.040 nan 8.280 nan 0.000 0.523 100 F N 1.322 121.384 119.950 0.186 0.000 2.128 100 F HA 0.131 4.658 4.527 -0.000 0.000 0.295 100 F C -0.356 175.515 175.800 0.118 0.000 1.100 100 F CA 0.657 58.724 58.000 0.113 0.000 1.260 100 F CB 0.377 39.429 39.000 0.087 0.000 1.009 100 F HN 0.203 nan 8.300 nan 0.000 0.476 101 L N 0.410 121.557 121.223 -0.128 0.000 2.330 101 L HA 0.696 5.036 4.340 -0.000 0.000 0.271 101 L C 0.035 176.855 176.870 -0.084 0.000 1.013 101 L CA -0.641 54.030 54.840 -0.282 0.000 0.816 101 L CB 1.646 43.505 42.059 -0.334 0.000 1.287 101 L HN 0.085 nan 8.230 nan 0.000 0.435 102 G N 0.950 109.648 108.800 -0.169 0.000 2.690 102 G HA2 0.736 4.696 3.960 -0.000 0.000 0.291 102 G HA3 0.736 4.696 3.960 -0.000 0.000 0.291 102 G C -2.017 172.651 174.900 -0.386 0.000 1.403 102 G CA -0.590 44.315 45.100 -0.324 0.000 0.864 102 G HN 0.552 nan 8.290 nan 0.000 0.480 103 R N -0.558 119.597 120.500 -0.574 0.000 2.561 103 R HA 0.672 5.012 4.340 -0.000 0.000 0.266 103 R C -1.692 174.308 176.300 -0.501 0.000 1.091 103 R CA -0.469 55.249 56.100 -0.637 0.000 0.927 103 R CB 1.978 31.807 30.300 -0.784 0.000 1.240 103 R HN 0.936 nan 8.270 nan 0.000 0.449 104 S N 1.498 117.010 115.700 -0.313 0.000 2.586 104 S HA 0.618 5.088 4.470 -0.000 0.000 0.277 104 S C -1.206 173.162 174.600 -0.386 0.000 1.131 104 S CA -0.131 57.869 58.200 -0.333 0.000 0.848 104 S CB 1.417 64.474 63.200 -0.238 0.000 1.091 104 S HN 0.855 nan 8.310 nan 0.000 0.453 105 G N 0.961 109.432 108.800 -0.547 0.000 2.705 105 G HA2 0.803 4.763 3.960 -0.000 0.000 0.299 105 G HA3 0.803 4.763 3.960 -0.000 0.000 0.299 105 G C -1.937 172.423 174.900 -0.899 0.000 1.315 105 G CA -0.568 44.215 45.100 -0.529 0.000 1.045 105 G HN 0.624 nan 8.290 nan 0.000 0.517 106 Y N -2.110 118.001 120.300 -0.316 0.000 2.597 106 Y HA 0.521 5.071 4.550 -0.000 0.000 0.340 106 Y C -0.097 175.565 175.900 -0.397 0.000 1.097 106 Y CA -0.847 57.042 58.100 -0.351 0.000 1.037 106 Y CB 2.446 40.708 38.460 -0.329 0.000 1.305 106 Y HN 0.442 nan 8.280 nan 0.000 0.463 107 T N 2.308 116.749 114.554 -0.189 0.000 2.809 107 T HA 0.522 4.872 4.350 -0.000 0.000 0.296 107 T C -1.053 173.619 174.700 -0.047 0.000 1.015 107 T CA -0.569 61.421 62.100 -0.182 0.000 0.954 107 T CB 0.676 69.411 68.868 -0.222 0.000 0.950 107 T HN 0.313 nan 8.240 nan 0.000 0.450 108 V N 4.110 123.991 119.914 -0.055 0.000 2.370 108 V HA 0.381 4.501 4.120 -0.000 0.000 0.283 108 V C -0.464 175.658 176.094 0.048 0.000 1.023 108 V CA -0.738 61.536 62.300 -0.043 0.000 0.857 108 V CB 1.049 32.770 31.823 -0.169 0.000 0.985 108 V HN 0.865 nan 8.190 nan 0.000 0.443 109 H N 3.613 122.665 119.070 -0.031 0.000 2.762 109 H HA 0.610 5.166 4.556 -0.000 0.000 0.310 109 H C -0.966 174.278 175.328 -0.139 0.000 1.004 109 H CA -0.359 55.643 56.048 -0.078 0.000 1.267 109 H CB 1.496 31.192 29.762 -0.110 0.000 1.437 109 H HN 0.431 nan 8.280 nan 0.000 0.498 110 V N 5.842 125.503 119.914 -0.420 0.000 2.465 110 V HA 0.267 4.387 4.120 -0.000 0.000 0.279 110 V C -0.196 175.648 176.094 -0.417 0.000 1.045 110 V CA -0.433 61.656 62.300 -0.353 0.000 0.938 110 V CB 1.354 33.024 31.823 -0.254 0.000 0.986 110 V HN 0.793 nan 8.190 nan 0.000 0.467 111 Q N 3.144 122.773 119.800 -0.284 0.000 2.333 111 Q HA 0.695 5.035 4.340 -0.000 0.000 0.267 111 Q C -0.891 175.041 176.000 -0.113 0.000 1.012 111 Q CA -0.318 55.366 55.803 -0.198 0.000 0.824 111 Q CB 2.300 30.964 28.738 -0.123 0.000 1.290 111 Q HN 0.790 nan 8.270 nan 0.000 0.449 112 C N 4.239 123.506 119.300 -0.056 0.000 2.928 112 C HA 0.473 4.933 4.460 -0.000 0.000 0.396 112 C C -1.760 173.259 174.990 0.048 0.000 1.052 112 C CA -0.619 58.413 59.018 0.023 0.000 1.251 112 C CB 0.212 28.006 27.740 0.090 0.000 1.684 112 C HN 1.018 nan 8.230 nan 0.000 0.501 113 N N 4.438 123.151 118.700 0.020 0.000 2.335 113 N HA 0.824 5.564 4.740 -0.000 0.000 0.304 113 N C -0.159 175.313 175.510 -0.062 0.000 1.135 113 N CA 0.030 53.077 53.050 -0.006 0.000 0.817 113 N CB 2.427 40.903 38.487 -0.017 0.000 1.294 113 N HN 0.770 nan 8.380 nan 0.000 0.497 114 A N 1.208 123.957 122.820 -0.120 0.000 2.144 114 A HA 0.711 5.031 4.320 -0.000 0.000 0.191 114 A C -0.124 177.286 177.584 -0.291 0.000 1.705 114 A CA 0.659 52.484 52.037 -0.354 0.000 1.653 114 A CB -0.223 18.503 19.000 -0.456 0.000 1.624 114 A HN 1.125 nan 8.150 nan 0.000 0.691 115 S N -1.740 113.857 115.700 -0.172 0.000 2.636 115 S HA 0.390 4.860 4.470 -0.000 0.000 0.266 115 S C -0.676 174.037 174.600 0.188 0.000 1.147 115 S CA -0.059 58.185 58.200 0.073 0.000 0.815 115 S CB 0.643 63.959 63.200 0.194 0.000 1.119 115 S HN 0.364 nan 8.310 nan 0.000 0.470 116 K N -0.263 120.282 120.400 0.241 0.000 2.525 116 K HA 0.206 4.526 4.320 -0.000 0.000 0.192 116 K C -0.428 176.153 176.600 -0.031 0.000 1.029 116 K CA 0.699 57.051 56.287 0.108 0.000 1.029 116 K CB -0.372 32.161 32.500 0.055 0.000 0.814 116 K HN 0.530 nan 8.250 nan 0.000 0.503 117 F N -0.743 119.276 119.950 0.114 0.000 2.698 117 F HA 0.216 4.743 4.527 -0.000 0.000 0.304 117 F C 0.070 175.874 175.800 0.006 0.000 1.108 117 F CA -0.556 57.475 58.000 0.052 0.000 1.263 117 F CB 0.229 39.241 39.000 0.019 0.000 1.013 117 F HN -0.073 nan 8.300 nan 0.000 0.532 118 H N 0.287 119.403 119.070 0.077 0.000 2.670 118 H HA 0.617 5.173 4.556 -0.000 0.000 0.361 118 H C -0.345 174.969 175.328 -0.024 0.000 1.169 118 H CA -0.738 55.313 56.048 0.005 0.000 1.198 118 H CB 1.428 31.176 29.762 -0.023 0.000 1.700 118 H HN 0.131 nan 8.280 nan 0.000 0.542 119 Q N 0.964 120.803 119.800 0.064 0.000 2.416 119 Q HA 0.746 5.086 4.340 -0.000 0.000 0.281 119 Q C -1.044 174.973 176.000 0.029 0.000 1.067 119 Q CA -1.380 54.449 55.803 0.043 0.000 0.809 119 Q CB 3.261 32.009 28.738 0.016 0.000 1.418 119 Q HN 0.867 nan 8.270 nan 0.000 0.411 120 G N 0.522 109.392 108.800 0.117 0.000 2.358 120 G HA2 0.452 4.412 3.960 -0.000 0.000 0.301 120 G HA3 0.452 4.412 3.960 -0.000 0.000 0.301 120 G C -1.516 173.643 174.900 0.432 0.000 1.539 120 G CA -0.493 44.762 45.100 0.257 0.000 0.893 120 G HN 0.601 nan 8.290 nan 0.000 0.636 121 T N 0.733 115.602 114.554 0.525 0.000 3.032 121 T HA 0.614 4.964 4.350 -0.000 0.000 0.312 121 T C -0.469 174.431 174.700 0.332 0.000 1.078 121 T CA -0.516 61.819 62.100 0.391 0.000 1.028 121 T CB 1.420 70.440 68.868 0.253 0.000 1.091 121 T HN 0.555 nan 8.240 nan 0.000 0.457 122 L N 3.098 124.457 121.223 0.225 0.000 2.322 122 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 122 L C -0.785 176.178 176.870 0.154 0.000 1.014 122 L CA -1.223 53.653 54.840 0.061 0.000 0.815 122 L CB 1.679 43.644 42.059 -0.156 0.000 1.247 122 L HN 0.415 nan 8.230 nan 0.000 0.421 123 L N 4.794 126.054 121.223 0.061 0.000 2.257 123 L HA 0.476 4.816 4.340 -0.000 0.000 0.290 123 L C -0.636 176.159 176.870 -0.126 0.000 1.044 123 L CA -0.096 54.610 54.840 -0.223 0.000 0.810 123 L CB 1.413 43.350 42.059 -0.202 0.000 1.193 123 L HN 0.269 nan 8.230 nan 0.000 0.425 124 V N 6.411 126.235 119.914 -0.150 0.000 2.347 124 V HA 0.570 4.690 4.120 -0.000 0.000 0.280 124 V C -0.174 175.891 176.094 -0.048 0.000 1.021 124 V CA -0.488 61.776 62.300 -0.060 0.000 0.847 124 V CB 1.395 33.175 31.823 -0.073 0.000 0.990 124 V HN 0.590 nan 8.190 nan 0.000 0.444 125 V N 5.427 125.338 119.914 -0.005 0.000 2.823 125 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 125 V C -0.264 175.823 176.094 -0.011 0.000 1.072 125 V CA -0.767 61.541 62.300 0.012 0.000 0.937 125 V CB 2.376 34.208 31.823 0.015 0.000 1.013 125 V HN 0.682 nan 8.190 nan 0.000 0.430 126 M N 4.693 124.280 119.600 -0.022 0.000 2.078 126 M HA 0.570 5.050 4.480 -0.000 0.000 0.320 126 M C -0.935 175.408 176.300 0.072 0.000 0.969 126 M CA -0.175 55.115 55.300 -0.016 0.000 0.929 126 M CB 1.167 33.629 32.600 -0.231 0.000 1.504 126 M HN 0.482 nan 8.290 nan 0.000 0.419 127 I N 6.580 127.115 120.570 -0.059 0.000 2.354 127 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 127 I C -2.048 173.892 176.117 -0.294 0.000 0.989 127 I CA -1.802 59.185 61.300 -0.521 0.000 1.188 127 I CB 2.086 39.576 38.000 -0.849 0.000 1.342 127 I HN 0.313 nan 8.210 nan 0.000 0.457 128 P HA 0.135 nan 4.420 nan 0.000 0.285 128 P C -0.751 176.324 177.300 -0.375 0.000 1.259 128 P CA -0.015 62.683 63.100 -0.669 0.000 0.794 128 P CB 0.942 32.202 31.700 -0.732 0.000 0.940 129 E N 0.227 120.245 120.200 -0.304 0.000 2.240 129 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 129 E C -0.210 176.356 176.600 -0.058 0.000 1.385 129 E CA 0.801 57.124 56.400 -0.129 0.000 0.686 129 E CB -2.586 27.064 29.700 -0.082 0.000 1.125 129 E HN 0.705 nan 8.360 nan 0.000 0.359 130 H N 1.042 119.987 119.070 -0.207 0.000 3.092 130 H HA 0.163 4.719 4.556 -0.000 0.000 0.263 130 H C 0.483 175.701 175.328 -0.183 0.000 1.611 130 H CA -0.201 55.723 56.048 -0.206 0.000 1.457 130 H CB 0.382 29.991 29.762 -0.255 0.000 1.731 130 H HN 0.210 nan 8.280 nan 0.000 0.532 131 Q N 5.982 125.714 119.800 -0.112 0.000 2.324 131 Q HA 0.133 4.473 4.340 -0.000 0.000 0.257 131 Q C -0.327 175.525 176.000 -0.247 0.000 1.080 131 Q CA -0.549 55.160 55.803 -0.156 0.000 0.907 131 Q CB 0.385 29.082 28.738 -0.069 0.000 1.274 131 Q HN 0.683 nan 8.270 nan 0.000 0.434 132 L N 2.278 123.290 121.223 -0.351 0.000 2.473 132 L HA 0.327 4.667 4.340 -0.000 0.000 0.268 132 L C 0.322 177.094 176.870 -0.164 0.000 1.215 132 L CA -0.367 54.270 54.840 -0.338 0.000 0.823 132 L CB 0.431 42.258 42.059 -0.386 0.000 1.099 132 L HN 0.636 nan 8.230 nan 0.000 0.483 133 A N 0.947 123.697 122.820 -0.117 0.000 2.322 133 A HA 0.770 5.090 4.320 -0.000 0.000 0.327 133 A C -0.203 177.351 177.584 -0.049 0.000 1.134 133 A CA -0.429 51.566 52.037 -0.069 0.000 0.831 133 A CB 1.522 20.484 19.000 -0.062 0.000 1.288 133 A HN 0.723 nan 8.150 nan 0.000 0.472 134 T N -1.644 112.886 114.554 -0.041 0.000 2.918 134 T HA 0.669 5.019 4.350 -0.000 0.000 0.286 134 T C -0.614 174.068 174.700 -0.029 0.000 1.026 134 T CA -0.642 61.435 62.100 -0.037 0.000 1.031 134 T CB 1.241 70.085 68.868 -0.041 0.000 1.046 134 T HN 0.657 nan 8.240 nan 0.000 0.479 135 V N 2.921 122.822 119.914 -0.022 0.000 2.459 135 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 135 V C 0.112 176.201 176.094 -0.010 0.000 1.029 135 V CA -1.053 61.238 62.300 -0.014 0.000 0.874 135 V CB 0.895 32.717 31.823 -0.002 0.000 0.985 135 V HN 1.072 nan 8.190 nan 0.000 0.438 136 N N 3.495 122.191 118.700 -0.007 0.000 2.727 136 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 136 N C 0.316 175.822 175.510 -0.007 0.000 1.048 136 N CA 0.998 54.045 53.050 -0.003 0.000 0.714 136 N CB -0.613 37.876 38.487 0.004 0.000 0.959 136 N HN 0.849 nan 8.380 nan 0.000 0.544 137 K N -0.446 119.948 120.400 -0.011 0.000 2.619 137 K HA 0.315 4.635 4.320 -0.000 0.000 0.201 137 K C 1.178 177.773 176.600 -0.008 0.000 1.090 137 K CA 0.261 56.541 56.287 -0.011 0.000 1.063 137 K CB 0.850 33.339 32.500 -0.018 0.000 0.810 137 K HN 0.379 nan 8.250 nan 0.000 0.506 138 G N 2.890 111.686 108.800 -0.007 0.000 2.547 138 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 138 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 138 G C 0.129 175.025 174.900 -0.006 0.000 1.209 138 G CA 0.409 45.505 45.100 -0.005 0.000 0.959 138 G HN 0.485 nan 8.290 nan 0.000 0.563 139 N N 0.186 118.883 118.700 -0.004 0.000 2.362 139 N HA 0.254 4.994 4.740 -0.000 0.000 0.204 139 N C 0.411 175.922 175.510 0.000 0.000 1.166 139 N CA 0.662 53.711 53.050 -0.003 0.000 0.831 139 N CB 0.295 38.781 38.487 -0.001 0.000 1.008 139 N HN 0.651 nan 8.380 nan 0.000 0.472 140 V N 1.655 121.569 119.914 -0.000 0.000 2.455 140 V HA 0.126 4.246 4.120 -0.000 0.000 0.273 140 V C 0.004 176.099 176.094 0.002 0.000 1.045 140 V CA -0.543 61.760 62.300 0.005 0.000 0.976 140 V CB 0.213 32.037 31.823 0.002 0.000 0.993 140 V HN 0.301 nan 8.190 nan 0.000 0.475 141 N N 2.782 121.490 118.700 0.014 0.000 2.482 141 N HA 0.561 5.301 4.740 -0.000 0.000 0.279 141 N C 0.188 175.715 175.510 0.029 0.000 1.182 141 N CA -0.370 52.688 53.050 0.013 0.000 0.969 141 N CB 1.311 39.809 38.487 0.020 0.000 1.201 141 N HN 0.762 nan 8.380 nan 0.000 0.523 142 A N 0.069 122.901 122.820 0.021 0.000 2.565 142 A HA 0.382 4.702 4.320 -0.000 0.000 0.237 142 A C 0.925 178.604 177.584 0.158 0.000 1.053 142 A CA 0.289 52.358 52.037 0.053 0.000 0.755 142 A CB -0.606 18.411 19.000 0.028 0.000 0.980 142 A HN 0.604 nan 8.150 nan 0.000 0.506 143 G N 0.234 109.214 108.800 0.300 0.000 2.476 143 G HA2 0.346 4.306 3.960 -0.000 0.000 0.269 143 G HA3 0.346 4.306 3.960 -0.000 0.000 0.269 143 G C 0.519 175.642 174.900 0.373 0.000 1.195 143 G CA -0.028 45.301 45.100 0.382 0.000 0.843 143 G HN 0.831 nan 8.290 nan 0.000 0.545 144 Y N 1.386 121.785 120.300 0.165 0.000 2.102 144 Y HA -0.344 4.206 4.550 -0.000 0.000 0.280 144 Y C 2.856 178.842 175.900 0.142 0.000 1.178 144 Y CA 2.840 61.023 58.100 0.137 0.000 1.146 144 Y CB 0.143 38.602 38.460 -0.002 0.000 0.968 144 Y HN 0.642 nan 8.280 nan 0.000 0.504 145 K N -1.599 118.887 120.400 0.142 0.000 2.283 145 K HA -0.180 4.140 4.320 -0.000 0.000 0.202 145 K C 1.467 177.942 176.600 -0.209 0.000 1.048 145 K CA 1.744 57.994 56.287 -0.061 0.000 0.948 145 K CB -0.764 31.624 32.500 -0.186 0.000 0.742 145 K HN 0.432 nan 8.250 nan 0.000 0.458 146 Y N 2.142 122.517 120.300 0.124 0.000 2.286 146 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 146 Y C 2.458 178.464 175.900 0.177 0.000 1.124 146 Y CA 1.327 59.493 58.100 0.110 0.000 1.178 146 Y CB -0.058 38.463 38.460 0.101 0.000 1.010 146 Y HN 0.284 nan 8.280 nan 0.000 0.536 147 T N -3.367 111.347 114.554 0.266 0.000 3.188 147 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 147 T C -0.167 174.473 174.700 -0.100 0.000 1.077 147 T CA 0.271 62.461 62.100 0.149 0.000 0.967 147 T CB -0.566 68.283 68.868 -0.033 0.000 1.006 147 T HN 0.269 nan 8.240 nan 0.000 0.552 148 H N 0.842 119.885 119.070 -0.046 0.000 2.535 148 H HA 0.345 4.901 4.556 -0.000 0.000 0.232 148 H C -2.204 173.120 175.328 -0.007 0.000 1.405 148 H CA -1.671 54.331 56.048 -0.077 0.000 1.224 148 H CB 1.029 30.620 29.762 -0.286 0.000 1.763 148 H HN 0.215 nan 8.280 nan 0.000 0.529 149 P HA 0.023 nan 4.420 nan 0.000 0.223 149 P C 0.998 178.323 177.300 0.042 0.000 1.151 149 P CA 1.348 64.444 63.100 -0.008 0.000 0.787 149 P CB 0.653 32.257 31.700 -0.160 0.000 0.788 150 G N 0.948 109.813 108.800 0.109 0.000 2.632 150 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.224 150 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.224 150 G C 0.838 175.850 174.900 0.187 0.000 1.341 150 G CA 0.187 45.373 45.100 0.143 0.000 0.880 150 G HN 0.338 nan 8.290 nan 0.000 0.566 151 E N 0.011 120.316 120.200 0.175 0.000 2.401 151 E HA 0.166 4.516 4.350 -0.000 0.000 0.199 151 E C 2.291 179.076 176.600 0.308 0.000 1.023 151 E CA 1.708 58.242 56.400 0.222 0.000 0.859 151 E CB -0.155 29.619 29.700 0.125 0.000 0.780 151 E HN 1.264 nan 8.360 nan 0.000 0.523 152 A N 1.515 124.439 122.820 0.174 0.000 2.169 152 A HA 0.308 4.628 4.320 -0.000 0.000 0.212 152 A C 1.482 179.027 177.584 -0.065 0.000 1.153 152 A CA 0.743 52.842 52.037 0.102 0.000 0.756 152 A CB -0.735 18.276 19.000 0.018 0.000 0.813 152 A HN 0.482 nan 8.150 nan 0.000 0.471 153 G N -0.567 108.121 108.800 -0.187 0.000 2.598 153 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.269 153 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.269 153 G C -0.065 174.358 174.900 -0.796 0.000 1.289 153 G CA 0.405 45.028 45.100 -0.795 0.000 0.926 153 G HN 1.226 nan 8.290 nan 0.000 0.567 154 R N 0.412 120.199 120.500 -1.188 0.000 2.513 154 R HA 0.577 4.917 4.340 -0.000 0.000 0.301 154 R C -0.613 175.178 176.300 -0.848 0.000 0.968 154 R CA -0.303 55.130 56.100 -1.112 0.000 0.872 154 R CB 1.163 30.280 30.300 -1.971 0.000 1.177 154 R HN 0.591 nan 8.270 nan 0.000 0.444 155 E N 3.551 123.457 120.200 -0.490 0.000 2.089 155 E HA 0.197 4.547 4.350 -0.000 0.000 0.284 155 E C -0.433 175.929 176.600 -0.396 0.000 1.023 155 E CA -0.797 55.377 56.400 -0.376 0.000 0.819 155 E CB 1.605 31.214 29.700 -0.153 0.000 1.076 155 E HN 0.345 nan 8.360 nan 0.000 0.396 156 V N 2.769 122.413 119.914 -0.451 0.000 2.673 156 V HA 0.136 4.256 4.120 -0.000 0.000 0.303 156 V C 1.305 177.299 176.094 -0.167 0.000 1.046 156 V CA 1.270 63.424 62.300 -0.243 0.000 1.126 156 V CB 0.689 32.459 31.823 -0.088 0.000 0.934 156 V HN 1.070 nan 8.190 nan 0.000 0.487 157 G N 3.500 112.255 108.800 -0.074 0.000 2.171 157 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.238 157 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.238 157 G C 0.450 175.322 174.900 -0.047 0.000 1.039 157 G CA 0.830 45.905 45.100 -0.041 0.000 0.759 157 G HN 1.279 nan 8.290 nan 0.000 0.501 158 T N -6.160 108.359 114.554 -0.058 0.000 3.177 158 T HA 0.591 4.941 4.350 -0.000 0.000 0.262 158 T C 1.342 176.025 174.700 -0.028 0.000 0.959 158 T CA 1.616 63.691 62.100 -0.042 0.000 0.996 158 T CB -0.134 68.702 68.868 -0.052 0.000 1.185 158 T HN 1.783 nan 8.240 nan 0.000 0.486 159 Q N 1.047 120.825 119.800 -0.036 0.000 2.326 159 Q HA 0.568 4.908 4.340 -0.000 0.000 0.314 159 Q C 0.353 176.353 176.000 0.000 0.000 1.091 159 Q CA 0.591 56.387 55.803 -0.012 0.000 0.974 159 Q CB -1.163 27.572 28.738 -0.006 0.000 1.220 159 Q HN 1.564 nan 8.270 nan 0.000 0.398 160 V N 1.150 121.074 119.914 0.017 0.000 2.352 160 V HA 0.588 4.708 4.120 -0.000 0.000 0.253 160 V C 1.011 177.114 176.094 0.015 0.000 1.083 160 V CA 0.171 62.482 62.300 0.018 0.000 0.993 160 V CB -0.633 31.205 31.823 0.026 0.000 1.111 160 V HN 1.426 nan 8.190 nan 0.000 0.490 161 E N 3.567 123.764 120.200 -0.004 0.000 2.888 161 E HA 0.158 4.508 4.350 -0.000 0.000 0.225 161 E C 0.492 177.077 176.600 -0.025 0.000 1.014 161 E CA 0.847 57.232 56.400 -0.025 0.000 0.875 161 E CB -1.852 27.837 29.700 -0.018 0.000 1.034 161 E HN 1.816 nan 8.360 nan 0.000 0.432 162 N N 0.123 118.802 118.700 -0.035 0.000 2.381 162 N HA 0.337 5.077 4.740 -0.000 0.000 0.254 162 N C 1.057 176.519 175.510 -0.080 0.000 1.264 162 N CA 0.212 53.258 53.050 -0.006 0.000 0.942 162 N CB 0.360 38.917 38.487 0.116 0.000 1.190 162 N HN 0.727 nan 8.380 nan 0.000 0.495 163 E N -0.541 119.638 120.200 -0.035 0.000 2.072 163 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 163 E C 0.532 177.070 176.600 -0.104 0.000 0.985 163 E CA 0.999 57.368 56.400 -0.052 0.000 0.801 163 E CB 0.062 29.756 29.700 -0.009 0.000 0.750 163 E HN 0.604 nan 8.360 nan 0.000 0.452 164 K N 1.252 121.584 120.400 -0.113 0.000 2.665 164 K HA 0.029 4.349 4.320 -0.000 0.000 0.214 164 K C -0.021 176.286 176.600 -0.488 0.000 1.032 164 K CA -0.000 56.208 56.287 -0.132 0.000 1.198 164 K CB 0.152 32.712 32.500 0.101 0.000 0.941 164 K HN 0.122 nan 8.250 nan 0.000 0.491 165 Q N 2.673 122.092 119.800 -0.634 0.000 2.296 165 Q HA 0.100 4.440 4.340 -0.000 0.000 0.262 165 Q C -2.251 173.573 176.000 -0.293 0.000 0.981 165 Q CA -1.811 53.546 55.803 -0.744 0.000 0.905 165 Q CB 0.923 29.366 28.738 -0.491 0.000 1.186 165 Q HN 0.032 nan 8.270 nan 0.000 0.399 166 P HA -0.010 nan 4.420 nan 0.000 0.274 166 P C -0.644 176.658 177.300 0.004 0.000 1.256 166 P CA -0.374 62.698 63.100 -0.046 0.000 0.795 166 P CB 0.833 32.536 31.700 0.005 0.000 1.038 167 S N -0.155 115.568 115.700 0.040 0.000 2.563 167 S HA -0.023 4.447 4.470 -0.000 0.000 0.284 167 S C 0.411 175.168 174.600 0.261 0.000 1.331 167 S CA 0.216 58.482 58.200 0.111 0.000 1.047 167 S CB -0.624 62.633 63.200 0.096 0.000 0.859 167 S HN 0.346 nan 8.310 nan 0.000 0.514 168 D N 1.126 121.682 120.400 0.260 0.000 2.571 168 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 168 D C -1.064 175.468 176.300 0.387 0.000 1.267 168 D CA -0.208 54.007 54.000 0.359 0.000 0.823 168 D CB 0.233 41.130 40.800 0.162 0.000 1.056 168 D HN 0.502 nan 8.370 nan 0.000 0.494 169 D N 1.122 121.669 120.400 0.245 0.000 2.441 169 D HA 0.004 4.644 4.640 -0.000 0.000 0.221 169 D C 1.462 177.563 176.300 -0.330 0.000 1.156 169 D CA -0.125 53.896 54.000 0.035 0.000 0.896 169 D CB 0.934 41.665 40.800 -0.115 0.000 1.028 169 D HN 0.185 nan 8.370 nan 0.000 0.509 170 N N 3.025 121.618 118.700 -0.178 0.000 2.166 170 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 170 N C 1.773 177.117 175.510 -0.278 0.000 1.019 170 N CA 0.838 53.621 53.050 -0.444 0.000 0.856 170 N CB -0.605 37.865 38.487 -0.029 0.000 0.993 170 N HN 0.610 nan 8.380 nan 0.000 0.426 171 W N 0.343 121.515 121.300 -0.214 0.000 2.525 171 W HA 0.175 4.835 4.660 -0.000 0.000 0.259 171 W C 0.282 176.709 176.519 -0.153 0.000 1.253 171 W CA -0.038 57.222 57.345 -0.143 0.000 1.262 171 W CB -0.720 28.692 29.460 -0.079 0.000 1.122 171 W HN 0.009 nan 8.180 nan 0.000 0.607 172 L N 1.578 122.318 121.223 -0.804 0.000 2.965 172 L HA 0.196 4.536 4.340 -0.000 0.000 0.254 172 L C 0.252 176.832 176.870 -0.484 0.000 1.220 172 L CA -0.155 54.232 54.840 -0.754 0.000 1.023 172 L CB -1.046 40.422 42.059 -0.985 0.000 1.355 172 L HN -0.030 nan 8.230 nan 0.000 0.545 173 N N -0.112 118.281 118.700 -0.511 0.000 2.678 173 N HA -0.293 4.447 4.740 -0.000 0.000 0.249 173 N C -0.025 175.338 175.510 -0.246 0.000 1.119 173 N CA 0.661 53.466 53.050 -0.409 0.000 0.718 173 N CB -0.982 37.448 38.487 -0.095 0.000 1.060 173 N HN 0.308 nan 8.380 nan 0.000 0.552 174 F N -2.211 117.708 119.950 -0.050 0.000 3.021 174 F HA -0.297 4.230 4.527 -0.000 0.000 0.294 174 F C 1.070 176.776 175.800 -0.157 0.000 0.761 174 F CA 1.324 59.262 58.000 -0.103 0.000 1.102 174 F CB -1.984 36.931 39.000 -0.141 0.000 1.380 174 F HN 0.473 nan 8.300 nan 0.000 0.387 175 D N -1.879 118.500 120.400 -0.034 0.000 2.567 175 D HA 0.396 5.036 4.640 -0.000 0.000 0.268 175 D C 1.280 177.536 176.300 -0.075 0.000 1.448 175 D CA 0.592 54.565 54.000 -0.045 0.000 0.811 175 D CB 0.138 40.950 40.800 0.019 0.000 1.192 175 D HN 0.646 nan 8.370 nan 0.000 0.488 176 G N 0.226 108.940 108.800 -0.144 0.000 2.132 176 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.234 176 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.234 176 G C 0.259 175.070 174.900 -0.148 0.000 0.989 176 G CA 0.414 45.418 45.100 -0.160 0.000 0.676 176 G HN 0.999 nan 8.290 nan 0.000 0.522 177 T N -1.882 112.582 114.554 -0.150 0.000 2.916 177 T HA 0.750 5.100 4.350 -0.000 0.000 0.292 177 T C 0.056 174.666 174.700 -0.150 0.000 1.055 177 T CA -1.025 61.009 62.100 -0.110 0.000 1.009 177 T CB 2.350 71.195 68.868 -0.039 0.000 1.118 177 T HN 0.523 nan 8.240 nan 0.000 0.497 178 L N 2.738 123.901 121.223 -0.101 0.000 2.349 178 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 178 L C 1.706 178.551 176.870 -0.042 0.000 1.115 178 L CA -0.832 53.967 54.840 -0.069 0.000 0.820 178 L CB 0.880 42.940 42.059 0.001 0.000 1.135 178 L HN 0.683 nan 8.230 nan 0.000 0.445 179 L N 3.658 124.866 121.223 -0.025 0.000 2.043 179 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 179 L C 2.129 179.002 176.870 0.006 0.000 1.075 179 L CA 2.347 57.181 54.840 -0.011 0.000 0.752 179 L CB -0.712 41.366 42.059 0.031 0.000 0.891 179 L HN 0.789 nan 8.230 nan 0.000 0.432 180 G N -1.082 107.735 108.800 0.028 0.000 2.498 180 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 180 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 180 G C 1.199 176.089 174.900 -0.015 0.000 1.119 180 G CA 0.805 45.920 45.100 0.025 0.000 0.766 180 G HN 0.511 nan 8.290 nan 0.000 0.552 181 N N -0.021 118.656 118.700 -0.038 0.000 2.280 181 N HA 0.154 4.894 4.740 -0.000 0.000 0.192 181 N C 1.829 177.262 175.510 -0.128 0.000 1.109 181 N CA -0.111 52.891 53.050 -0.081 0.000 0.855 181 N CB 0.266 38.705 38.487 -0.080 0.000 0.974 181 N HN 0.258 nan 8.380 nan 0.000 0.482 182 L N 0.041 121.214 121.223 -0.083 0.000 2.353 182 L HA -0.066 4.274 4.340 -0.000 0.000 0.220 182 L C 1.073 177.860 176.870 -0.139 0.000 1.133 182 L CA 0.457 55.282 54.840 -0.025 0.000 0.798 182 L CB -0.143 41.920 42.059 0.008 0.000 0.922 182 L HN 0.092 nan 8.230 nan 0.000 0.445 183 L N -0.723 120.329 121.223 -0.285 0.000 2.549 183 L HA -0.163 4.177 4.340 -0.000 0.000 0.229 183 L C 1.995 178.744 176.870 -0.202 0.000 1.158 183 L CA 1.061 55.588 54.840 -0.521 0.000 0.842 183 L CB -0.523 41.286 42.059 -0.417 0.000 0.952 183 L HN 0.191 nan 8.230 nan 0.000 0.452 184 I N -1.698 118.743 120.570 -0.215 0.000 3.251 184 I HA -0.015 4.155 4.170 -0.000 0.000 0.277 184 I C 0.779 176.808 176.117 -0.147 0.000 1.268 184 I CA 0.514 61.690 61.300 -0.207 0.000 1.449 184 I CB -0.150 37.642 38.000 -0.346 0.000 1.083 184 I HN -0.101 nan 8.210 nan 0.000 0.464 185 F N 1.190 121.172 119.950 0.053 0.000 2.408 185 F HA 0.446 4.973 4.527 -0.000 0.000 0.325 185 F C -1.855 173.980 175.800 0.059 0.000 1.082 185 F CA -2.624 55.418 58.000 0.070 0.000 1.032 185 F CB 0.094 39.126 39.000 0.054 0.000 1.259 185 F HN -0.255 nan 8.300 nan 0.000 0.503 186 P HA 0.042 nan 4.420 nan 0.000 0.263 186 P C -1.150 176.189 177.300 0.065 0.000 1.195 186 P CA 0.696 63.777 63.100 -0.032 0.000 0.762 186 P CB 0.193 31.757 31.700 -0.227 0.000 0.799 187 H N 1.406 120.423 119.070 -0.087 0.000 2.948 187 H HA 0.552 5.108 4.556 -0.000 0.000 0.315 187 H C -1.502 173.753 175.328 -0.122 0.000 1.360 187 H CA -0.820 55.155 56.048 -0.122 0.000 1.125 187 H CB 1.210 30.883 29.762 -0.148 0.000 1.844 187 H HN 0.342 nan 8.280 nan 0.000 0.529 188 Q N -0.053 119.611 119.800 -0.227 0.000 2.685 188 Q HA 0.443 4.783 4.340 -0.000 0.000 0.301 188 Q C -1.690 174.241 176.000 -0.115 0.000 0.924 188 Q CA -0.769 54.931 55.803 -0.171 0.000 0.755 188 Q CB 3.204 31.880 28.738 -0.103 0.000 1.470 188 Q HN 0.400 nan 8.270 nan 0.000 0.434 189 F N 0.571 120.554 119.950 0.054 0.000 2.563 189 F HA 0.554 5.081 4.527 -0.000 0.000 0.316 189 F C -0.201 175.622 175.800 0.038 0.000 1.076 189 F CA -0.629 57.415 58.000 0.073 0.000 0.921 189 F CB 1.466 40.521 39.000 0.093 0.000 1.209 189 F HN 0.273 nan 8.300 nan 0.000 0.462 190 I N 2.950 123.672 120.570 0.252 0.000 2.388 190 I HA 0.206 4.376 4.170 -0.000 0.000 0.281 190 I C -0.689 175.561 176.117 0.222 0.000 1.046 190 I CA -0.506 60.892 61.300 0.163 0.000 1.187 190 I CB 0.733 38.785 38.000 0.086 0.000 1.351 190 I HN 0.425 nan 8.210 nan 0.000 0.472 191 N N 6.465 125.275 118.700 0.184 0.000 2.439 191 N HA 0.276 5.016 4.740 -0.000 0.000 0.249 191 N C 0.910 176.502 175.510 0.138 0.000 1.003 191 N CA -0.234 52.909 53.050 0.155 0.000 0.942 191 N CB 1.176 39.707 38.487 0.074 0.000 1.115 191 N HN 0.534 nan 8.380 nan 0.000 0.505 192 L N 2.930 124.259 121.223 0.176 0.000 2.137 192 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 192 L C 2.092 179.009 176.870 0.079 0.000 1.085 192 L CA 1.446 56.367 54.840 0.135 0.000 0.760 192 L CB -0.253 41.890 42.059 0.140 0.000 0.893 192 L HN 0.626 nan 8.230 nan 0.000 0.434 193 R N -1.323 119.212 120.500 0.059 0.000 2.235 193 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 193 R C 1.827 178.141 176.300 0.022 0.000 1.059 193 R CA 1.204 57.320 56.100 0.026 0.000 0.997 193 R CB -0.296 30.007 30.300 0.004 0.000 0.884 193 R HN 0.121 nan 8.270 nan 0.000 0.462 194 S N 0.156 115.877 115.700 0.035 0.000 2.655 194 S HA 0.108 4.578 4.470 -0.000 0.000 0.231 194 S C 0.159 174.780 174.600 0.036 0.000 1.044 194 S CA 0.142 58.360 58.200 0.030 0.000 0.910 194 S CB -0.009 63.209 63.200 0.030 0.000 0.833 194 S HN 0.541 nan 8.310 nan 0.000 0.581 195 N N 1.705 120.434 118.700 0.049 0.000 2.509 195 N HA 0.306 5.046 4.740 -0.000 0.000 0.280 195 N C -1.294 174.243 175.510 0.046 0.000 1.306 195 N CA -0.688 52.388 53.050 0.043 0.000 0.782 195 N CB 0.667 39.179 38.487 0.042 0.000 1.493 195 N HN 0.200 nan 8.380 nan 0.000 0.498 196 N N -2.097 116.618 118.700 0.026 0.000 2.241 196 N HA 0.170 4.910 4.740 -0.000 0.000 0.238 196 N C -1.176 174.316 175.510 -0.030 0.000 1.244 196 N CA -0.356 52.704 53.050 0.017 0.000 0.880 196 N CB 0.023 38.519 38.487 0.015 0.000 1.179 196 N HN 0.674 nan 8.380 nan 0.000 0.513 197 S N -1.671 113.994 115.700 -0.058 0.000 2.578 197 S HA 0.828 5.298 4.470 -0.000 0.000 0.272 197 S C -1.714 172.786 174.600 -0.166 0.000 1.145 197 S CA -0.670 57.415 58.200 -0.191 0.000 0.835 197 S CB 1.243 64.292 63.200 -0.250 0.000 1.104 197 S HN 0.493 nan 8.310 nan 0.000 0.458 198 A N 0.859 123.517 122.820 -0.270 0.000 2.414 198 A HA 0.889 5.209 4.320 -0.000 0.000 0.306 198 A C -0.591 176.892 177.584 -0.168 0.000 1.054 198 A CA -0.781 51.162 52.037 -0.157 0.000 0.724 198 A CB 1.847 20.771 19.000 -0.126 0.000 1.267 198 A HN 0.928 nan 8.150 nan 0.000 0.418 199 T N 2.266 116.793 114.554 -0.046 0.000 2.881 199 T HA 0.576 4.926 4.350 -0.000 0.000 0.291 199 T C -1.104 173.574 174.700 -0.036 0.000 0.990 199 T CA -0.107 62.015 62.100 0.037 0.000 0.976 199 T CB 0.505 69.467 68.868 0.156 0.000 0.970 199 T HN 0.412 nan 8.240 nan 0.000 0.438 200 L N 3.809 124.983 121.223 -0.082 0.000 2.362 200 L HA 0.650 4.990 4.340 -0.000 0.000 0.275 200 L C -0.559 176.188 176.870 -0.206 0.000 0.998 200 L CA -0.521 54.225 54.840 -0.157 0.000 0.820 200 L CB 1.756 43.691 42.059 -0.207 0.000 1.270 200 L HN 0.609 nan 8.230 nan 0.000 0.415 201 I N 3.977 124.394 120.570 -0.256 0.000 2.382 201 I HA 0.508 4.678 4.170 -0.000 0.000 0.286 201 I C -0.530 175.342 176.117 -0.409 0.000 1.002 201 I CA -0.927 60.148 61.300 -0.375 0.000 1.135 201 I CB 1.689 39.386 38.000 -0.506 0.000 1.288 201 I HN 0.360 nan 8.210 nan 0.000 0.448 202 V N 5.396 125.039 119.914 -0.451 0.000 2.628 202 V HA 0.726 4.846 4.120 -0.000 0.000 0.306 202 V C -2.619 173.320 176.094 -0.258 0.000 1.045 202 V CA -2.034 59.996 62.300 -0.449 0.000 0.905 202 V CB 1.565 32.788 31.823 -1.000 0.000 0.997 202 V HN 0.438 nan 8.190 nan 0.000 0.436 203 P HA 0.250 nan 4.420 nan 0.000 0.282 203 P C -1.355 176.100 177.300 0.258 0.000 1.287 203 P CA -0.504 62.633 63.100 0.061 0.000 0.792 203 P CB 0.861 32.657 31.700 0.160 0.000 1.163 204 Y N 0.358 120.674 120.300 0.027 0.000 2.402 204 Y HA 0.326 4.876 4.550 -0.000 0.000 0.333 204 Y C -0.741 175.221 175.900 0.104 0.000 1.076 204 Y CA 0.154 58.297 58.100 0.071 0.000 1.299 204 Y CB 0.234 38.632 38.460 -0.102 0.000 1.197 204 Y HN -0.026 nan 8.280 nan 0.000 0.517 205 V N 7.516 127.182 119.914 -0.414 0.000 2.444 205 V HA 0.455 4.575 4.120 -0.000 0.000 0.294 205 V C -0.706 174.978 176.094 -0.684 0.000 1.022 205 V CA -0.669 61.385 62.300 -0.409 0.000 0.850 205 V CB 1.307 32.944 31.823 -0.309 0.000 0.992 205 V HN 0.887 nan 8.190 nan 0.000 0.426 206 N N 2.733 121.161 118.700 -0.455 0.000 3.322 206 N HA 0.457 5.197 4.740 -0.000 0.000 0.233 206 N C 0.082 175.536 175.510 -0.094 0.000 1.399 206 N CA 0.094 52.969 53.050 -0.292 0.000 0.894 206 N CB 1.930 40.209 38.487 -0.347 0.000 1.440 206 N HN 0.515 nan 8.380 nan 0.000 0.503 207 A N -0.144 122.651 122.820 -0.042 0.000 2.251 207 A HA 0.371 4.691 4.320 -0.000 0.000 0.209 207 A C 0.236 177.834 177.584 0.024 0.000 1.187 207 A CA 0.864 52.893 52.037 -0.013 0.000 0.823 207 A CB -0.496 18.488 19.000 -0.027 0.000 0.846 207 A HN 0.644 nan 8.150 nan 0.000 0.486 208 V N -4.778 115.174 119.914 0.062 0.000 2.962 208 V HA 0.522 4.642 4.120 -0.000 0.000 0.313 208 V C -2.161 174.024 176.094 0.152 0.000 1.099 208 V CA -1.711 60.637 62.300 0.079 0.000 0.971 208 V CB 1.760 33.619 31.823 0.060 0.000 1.028 208 V HN 0.037 nan 8.190 nan 0.000 0.430 209 P HA 0.046 nan 4.420 nan 0.000 0.223 209 P C 0.224 177.483 177.300 -0.068 0.000 1.151 209 P CA 1.128 64.266 63.100 0.063 0.000 0.787 209 P CB 0.344 32.049 31.700 0.009 0.000 0.788 210 M N -1.746 117.828 119.600 -0.043 0.000 2.644 210 M HA 0.419 4.899 4.480 -0.000 0.000 0.273 210 M C -1.297 174.979 176.300 -0.040 0.000 1.253 210 M CA -0.619 54.592 55.300 -0.148 0.000 0.852 210 M CB 2.853 35.331 32.600 -0.203 0.000 1.708 210 M HN -0.289 nan 8.290 nan 0.000 0.471 211 D N -0.270 120.095 120.400 -0.058 0.000 2.665 211 D HA 0.261 4.901 4.640 -0.000 0.000 0.287 211 D C -1.440 174.784 176.300 -0.126 0.000 1.266 211 D CA -0.173 53.800 54.000 -0.045 0.000 0.830 211 D CB 2.333 43.249 40.800 0.193 0.000 1.356 211 D HN 0.493 nan 8.370 nan 0.000 0.437 212 S N 0.845 116.483 115.700 -0.103 0.000 2.498 212 S HA 0.075 4.545 4.470 -0.000 0.000 0.281 212 S C 1.271 175.914 174.600 0.071 0.000 1.265 212 S CA -0.102 58.076 58.200 -0.037 0.000 1.071 212 S CB 0.198 63.474 63.200 0.128 0.000 0.894 212 S HN 0.418 nan 8.310 nan 0.000 0.491 213 M N 5.335 124.951 119.600 0.028 0.000 2.492 213 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 213 M C 1.340 177.664 176.300 0.040 0.000 1.090 213 M CA 0.948 56.268 55.300 0.034 0.000 1.110 213 M CB 0.068 32.652 32.600 -0.027 0.000 1.407 213 M HN 0.645 nan 8.290 nan 0.000 0.470 214 V N -0.486 119.456 119.914 0.047 0.000 2.685 214 V HA -0.038 4.082 4.120 -0.000 0.000 0.244 214 V C 2.066 178.344 176.094 0.307 0.000 1.054 214 V CA 1.160 63.535 62.300 0.126 0.000 1.076 214 V CB -0.420 31.446 31.823 0.071 0.000 0.725 214 V HN 0.363 nan 8.190 nan 0.000 0.467 215 R N -0.618 120.054 120.500 0.287 0.000 2.265 215 R HA 0.148 4.488 4.340 -0.000 0.000 0.194 215 R C 0.439 176.964 176.300 0.375 0.000 0.931 215 R CA 0.214 56.522 56.100 0.347 0.000 1.032 215 R CB 0.005 30.453 30.300 0.246 0.000 0.980 215 R HN 0.482 nan 8.270 nan 0.000 0.497 216 H N 1.120 120.299 119.070 0.181 0.000 2.547 216 H HA 0.380 4.936 4.556 -0.000 0.000 0.342 216 H C -1.105 174.276 175.328 0.088 0.000 1.048 216 H CA -1.192 54.923 56.048 0.111 0.000 1.204 216 H CB 0.785 30.587 29.762 0.066 0.000 1.493 216 H HN -0.175 nan 8.280 nan 0.000 0.511 217 N N 4.291 122.958 118.700 -0.055 0.000 2.437 217 N HA 0.115 4.855 4.740 -0.000 0.000 0.259 217 N C 0.514 175.787 175.510 -0.394 0.000 0.983 217 N CA -0.376 52.568 53.050 -0.177 0.000 0.937 217 N CB 1.135 39.536 38.487 -0.143 0.000 1.122 217 N HN 0.680 nan 8.380 nan 0.000 0.499 218 N N 0.976 119.438 118.700 -0.397 0.000 2.173 218 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 218 N C -0.103 175.124 175.510 -0.471 0.000 1.025 218 N CA 1.081 53.819 53.050 -0.520 0.000 0.852 218 N CB 0.237 38.474 38.487 -0.416 0.000 0.998 218 N HN 0.498 nan 8.380 nan 0.000 0.427 219 W N 0.458 121.681 121.300 -0.129 0.000 2.799 219 W HA 0.476 5.136 4.660 -0.000 0.000 0.349 219 W C -0.461 175.987 176.519 -0.118 0.000 1.100 219 W CA -0.511 56.761 57.345 -0.122 0.000 1.174 219 W CB 1.469 30.870 29.460 -0.098 0.000 1.427 219 W HN -0.366 nan 8.180 nan 0.000 0.547 220 S N 1.974 117.779 115.700 0.175 0.000 2.532 220 S HA 0.497 4.967 4.470 -0.000 0.000 0.299 220 S C -1.567 173.108 174.600 0.125 0.000 1.105 220 S CA -0.668 57.602 58.200 0.116 0.000 1.018 220 S CB 1.213 64.455 63.200 0.070 0.000 1.021 220 S HN 0.368 nan 8.310 nan 0.000 0.483 221 L N 4.882 126.228 121.223 0.204 0.000 2.257 221 L HA 0.677 5.017 4.340 -0.000 0.000 0.290 221 L C -1.180 175.902 176.870 0.352 0.000 1.044 221 L CA -0.152 54.810 54.840 0.202 0.000 0.810 221 L CB 0.767 42.929 42.059 0.172 0.000 1.193 221 L HN 0.432 nan 8.230 nan 0.000 0.425 222 V N 6.993 127.052 119.914 0.241 0.000 2.448 222 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 222 V C -0.058 176.199 176.094 0.271 0.000 1.025 222 V CA -0.431 62.052 62.300 0.306 0.000 0.859 222 V CB 1.696 33.647 31.823 0.212 0.000 0.988 222 V HN 0.605 nan 8.190 nan 0.000 0.431 223 I N 6.023 126.812 120.570 0.366 0.000 2.411 223 I HA 0.472 4.642 4.170 -0.000 0.000 0.284 223 I C -1.072 175.232 176.117 0.312 0.000 1.012 223 I CA -0.384 61.104 61.300 0.314 0.000 1.119 223 I CB 1.629 39.868 38.000 0.399 0.000 1.261 223 I HN 0.333 nan 8.210 nan 0.000 0.448 224 I N 8.353 129.027 120.570 0.173 0.000 2.406 224 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 224 I C -2.373 173.793 176.117 0.081 0.000 0.999 224 I CA -2.609 58.759 61.300 0.113 0.000 1.124 224 I CB 1.977 40.039 38.000 0.104 0.000 1.289 224 I HN 0.251 nan 8.210 nan 0.000 0.441 225 P HA 0.102 nan 4.420 nan 0.000 0.280 225 P C 0.964 178.370 177.300 0.178 0.000 1.386 225 P CA -0.137 63.024 63.100 0.101 0.000 0.899 225 P CB 0.954 32.742 31.700 0.146 0.000 1.098 226 V N 1.086 121.122 119.914 0.204 0.000 2.871 226 V HA 0.016 4.136 4.120 -0.000 0.000 0.256 226 V C 0.688 176.893 176.094 0.186 0.000 1.082 226 V CA 0.855 63.271 62.300 0.194 0.000 1.105 226 V CB -0.837 31.129 31.823 0.239 0.000 0.713 226 V HN 0.363 nan 8.190 nan 0.000 0.473 227 C N 1.465 120.907 119.300 0.236 0.000 2.346 227 C HA 0.462 4.922 4.460 -0.000 0.000 0.326 227 C C 0.143 175.309 174.990 0.293 0.000 1.224 227 C CA -0.911 58.232 59.018 0.209 0.000 1.408 227 C CB 0.551 28.393 27.740 0.171 0.000 2.089 227 C HN 0.653 nan 8.230 nan 0.000 0.456 228 Q N 1.730 121.662 119.800 0.221 0.000 2.304 228 Q HA 0.094 4.434 4.340 -0.000 0.000 0.301 228 Q C -0.303 175.774 176.000 0.129 0.000 1.063 228 Q CA -0.016 55.918 55.803 0.218 0.000 0.947 228 Q CB 0.504 29.315 28.738 0.122 0.000 1.201 228 Q HN 0.737 nan 8.270 nan 0.000 0.389 229 L N 4.523 125.749 121.223 0.005 0.000 2.433 229 L HA 0.110 4.450 4.340 -0.000 0.000 0.275 229 L C -0.955 175.801 176.870 -0.189 0.000 1.128 229 L CA 0.965 55.592 54.840 -0.355 0.000 0.875 229 L CB 0.618 42.062 42.059 -1.025 0.000 1.171 229 L HN 0.650 nan 8.230 nan 0.000 0.463 230 Q N 3.532 123.248 119.800 -0.140 0.000 2.397 230 Q HA 0.811 5.151 4.340 -0.000 0.000 0.275 230 Q C -1.074 174.819 176.000 -0.178 0.000 1.090 230 Q CA -0.682 55.050 55.803 -0.117 0.000 0.809 230 Q CB 2.348 31.048 28.738 -0.064 0.000 1.362 230 Q HN 0.839 nan 8.270 nan 0.000 0.431 231 S N 0.159 115.726 115.700 -0.222 0.000 2.655 231 S HA 0.329 4.799 4.470 -0.000 0.000 0.266 231 S C -1.088 173.386 174.600 -0.210 0.000 1.149 231 S CA -0.915 57.075 58.200 -0.350 0.000 0.818 231 S CB 0.780 63.422 63.200 -0.931 0.000 1.130 231 S HN 0.708 nan 8.310 nan 0.000 0.476 232 N N 0.475 119.067 118.700 -0.180 0.000 2.273 232 N HA 0.247 4.987 4.740 -0.000 0.000 0.231 232 N C -0.635 174.816 175.510 -0.098 0.000 1.134 232 N CA -0.004 52.986 53.050 -0.100 0.000 0.856 232 N CB 0.085 38.541 38.487 -0.051 0.000 1.068 232 N HN 0.517 nan 8.380 nan 0.000 0.510 233 N N 1.445 120.066 118.700 -0.131 0.000 2.687 233 N HA 0.101 4.841 4.740 -0.000 0.000 0.275 233 N C 0.799 176.288 175.510 -0.036 0.000 1.789 233 N CA -0.270 52.740 53.050 -0.065 0.000 0.806 233 N CB 0.083 38.552 38.487 -0.030 0.000 1.256 233 N HN 0.180 nan 8.380 nan 0.000 0.500 234 I N -1.824 118.720 120.570 -0.043 0.000 2.567 234 I HA -0.085 4.085 4.170 -0.000 0.000 0.257 234 I C 1.553 177.677 176.117 0.011 0.000 1.184 234 I CA 1.191 62.480 61.300 -0.019 0.000 1.451 234 I CB -0.272 37.711 38.000 -0.027 0.000 1.089 234 I HN 0.220 nan 8.210 nan 0.000 0.441 235 S N 0.491 116.198 115.700 0.011 0.000 2.474 235 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 235 S C 0.876 175.494 174.600 0.029 0.000 0.997 235 S CA 0.294 58.505 58.200 0.018 0.000 0.949 235 S CB -1.093 62.113 63.200 0.010 0.000 0.766 235 S HN 0.672 nan 8.310 nan 0.000 0.517 236 N N 1.083 119.810 118.700 0.045 0.000 2.405 236 N HA 0.302 5.042 4.740 -0.000 0.000 0.260 236 N C -0.750 174.792 175.510 0.054 0.000 1.152 236 N CA -0.387 52.694 53.050 0.051 0.000 0.948 236 N CB 0.254 38.787 38.487 0.077 0.000 1.111 236 N HN 0.308 nan 8.380 nan 0.000 0.485 237 I N 3.153 123.746 120.570 0.039 0.000 2.556 237 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 237 I C -0.118 176.019 176.117 0.034 0.000 1.114 237 I CA -0.289 61.038 61.300 0.044 0.000 1.418 237 I CB 0.875 38.902 38.000 0.045 0.000 1.394 237 I HN 0.220 nan 8.210 nan 0.000 0.552 238 V N 8.632 128.574 119.914 0.046 0.000 2.275 238 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 238 V C -2.167 174.002 176.094 0.126 0.000 1.028 238 V CA -1.489 60.837 62.300 0.043 0.000 0.810 238 V CB 0.829 32.641 31.823 -0.018 0.000 1.043 238 V HN 0.590 nan 8.190 nan 0.000 0.453 239 P HA 0.531 nan 4.420 nan 0.000 0.278 239 P C -0.670 176.643 177.300 0.022 0.000 1.266 239 P CA -0.494 62.636 63.100 0.050 0.000 0.807 239 P CB 1.177 32.884 31.700 0.012 0.000 1.094 240 I N 0.098 120.613 120.570 -0.091 0.000 2.499 240 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 240 I C -0.476 175.531 176.117 -0.183 0.000 1.048 240 I CA -0.276 60.917 61.300 -0.178 0.000 1.062 240 I CB 2.149 39.905 38.000 -0.408 0.000 1.238 240 I HN 0.126 nan 8.210 nan 0.000 0.426 241 T N 5.232 119.688 114.554 -0.163 0.000 2.841 241 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 241 T C -0.502 174.064 174.700 -0.223 0.000 1.000 241 T CA -0.519 61.484 62.100 -0.162 0.000 0.977 241 T CB 2.358 71.163 68.868 -0.105 0.000 0.979 241 T HN 0.157 nan 8.240 nan 0.000 0.446 242 V N 2.600 122.341 119.914 -0.288 0.000 2.495 242 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 242 V C -0.257 175.700 176.094 -0.228 0.000 1.031 242 V CA -0.678 61.409 62.300 -0.355 0.000 0.871 242 V CB 1.960 33.363 31.823 -0.699 0.000 0.988 242 V HN 0.958 nan 8.190 nan 0.000 0.432 243 S N 5.582 121.211 115.700 -0.118 0.000 2.552 243 S HA 0.716 5.186 4.470 -0.000 0.000 0.314 243 S C -0.585 174.108 174.600 0.155 0.000 1.099 243 S CA -0.381 57.829 58.200 0.016 0.000 1.070 243 S CB 1.123 64.296 63.200 -0.045 0.000 0.998 243 S HN 0.536 nan 8.310 nan 0.000 0.474 244 I N 2.222 122.876 120.570 0.139 0.000 2.433 244 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 244 I C -0.139 175.977 176.117 -0.001 0.000 1.001 244 I CA -0.478 60.857 61.300 0.058 0.000 1.119 244 I CB 2.085 40.023 38.000 -0.104 0.000 1.289 244 I HN 0.512 nan 8.210 nan 0.000 0.438 245 S N 7.251 122.803 115.700 -0.248 0.000 2.596 245 S HA 0.571 5.041 4.470 -0.000 0.000 0.318 245 S C -2.634 171.766 174.600 -0.332 0.000 1.097 245 S CA -1.547 56.339 58.200 -0.524 0.000 1.080 245 S CB 1.413 63.844 63.200 -1.281 0.000 0.991 245 S HN 0.188 nan 8.310 nan 0.000 0.471 246 P HA 0.317 nan 4.420 nan 0.000 0.272 246 P C -0.867 176.230 177.300 -0.339 0.000 1.230 246 P CA -0.083 62.809 63.100 -0.347 0.000 0.788 246 P CB 0.443 31.875 31.700 -0.447 0.000 0.949 247 M N 0.841 120.208 119.600 -0.387 0.000 2.324 247 M HA 0.240 4.720 4.480 -0.000 0.000 0.288 247 M C -0.512 175.564 176.300 -0.373 0.000 1.097 247 M CA -0.473 54.623 55.300 -0.340 0.000 0.928 247 M CB 1.690 34.061 32.600 -0.382 0.000 1.648 247 M HN 0.380 nan 8.290 nan 0.000 0.460 248 C N 1.940 121.015 119.300 -0.376 0.000 4.365 248 C HA -0.132 4.328 4.460 -0.000 0.000 0.299 248 C C 1.011 175.761 174.990 -0.399 0.000 1.409 248 C CA 0.359 58.973 59.018 -0.674 0.000 2.007 248 C CB -3.103 24.060 27.740 -0.961 0.000 1.264 248 C HN 0.957 nan 8.230 nan 0.000 0.777 249 A N 1.104 123.835 122.820 -0.150 0.000 2.488 249 A HA 0.494 4.814 4.320 -0.000 0.000 0.249 249 A C 0.418 177.904 177.584 -0.162 0.000 1.083 249 A CA 0.700 52.657 52.037 -0.134 0.000 0.768 249 A CB 0.317 19.448 19.000 0.217 0.000 1.017 249 A HN 0.870 nan 8.150 nan 0.000 0.496 250 E N 1.722 121.605 120.200 -0.529 0.000 2.343 250 E HA 0.702 5.052 4.350 -0.000 0.000 0.278 250 E C -1.730 174.367 176.600 -0.838 0.000 0.910 250 E CA -0.624 55.531 56.400 -0.407 0.000 0.757 250 E CB 1.372 31.011 29.700 -0.100 0.000 1.218 250 E HN 0.388 nan 8.360 nan 0.000 0.435 251 F N 0.661 120.450 119.950 -0.268 0.000 2.593 251 F HA 0.715 5.242 4.527 -0.000 0.000 0.320 251 F C 0.164 175.742 175.800 -0.371 0.000 1.060 251 F CA -0.929 56.813 58.000 -0.430 0.000 0.940 251 F CB 2.563 41.062 39.000 -0.835 0.000 1.268 251 F HN 0.505 nan 8.300 nan 0.000 0.475 252 S N -0.187 115.497 115.700 -0.027 0.000 2.550 252 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 252 S C -0.422 174.341 174.600 0.271 0.000 1.145 252 S CA -0.071 58.190 58.200 0.100 0.000 0.852 252 S CB 1.562 64.774 63.200 0.019 0.000 1.119 252 S HN 1.671 nan 8.310 nan 0.000 0.465 253 G N 1.472 110.443 108.800 0.284 0.000 2.470 253 G HA2 0.163 4.123 3.960 -0.000 0.000 0.286 253 G HA3 0.163 4.123 3.960 -0.000 0.000 0.286 253 G C 0.209 175.284 174.900 0.291 0.000 1.115 253 G CA 0.040 45.312 45.100 0.287 0.000 1.122 253 G HN 1.337 nan 8.290 nan 0.000 0.522 254 A N 0.511 123.471 122.820 0.234 0.000 2.386 254 A HA 0.945 5.265 4.320 -0.000 0.000 0.248 254 A C 0.892 178.480 177.584 0.008 0.000 1.082 254 A CA 1.113 53.142 52.037 -0.013 0.000 0.789 254 A CB 0.502 19.464 19.000 -0.063 0.000 1.025 254 A HN 1.875 nan 8.150 nan 0.000 0.490 255 R N -0.056 120.435 120.500 -0.015 0.000 3.574 255 R HA 0.673 5.013 4.340 -0.000 0.000 0.259 255 R C -0.113 176.230 176.300 0.072 0.000 0.963 255 R CA -0.384 55.733 56.100 0.028 0.000 0.804 255 R CB 0.143 30.457 30.300 0.023 0.000 1.680 255 R HN 1.114 nan 8.270 nan 0.000 0.407 256 A N 1.023 123.862 122.820 0.032 0.000 2.327 256 A HA 0.321 4.641 4.320 -0.000 0.000 0.255 256 A C -0.432 177.059 177.584 -0.156 0.000 1.099 256 A CA -0.192 51.846 52.037 0.001 0.000 0.801 256 A CB 0.185 19.171 19.000 -0.023 0.000 1.062 256 A HN 0.527 nan 8.150 nan 0.000 0.496 257 K N 0.560 120.720 120.400 -0.399 0.000 2.297 257 K HA 0.241 4.561 4.320 -0.000 0.000 0.286 257 K C -0.513 175.939 176.600 -0.246 0.000 1.053 257 K CA -0.047 55.862 56.287 -0.629 0.000 0.940 257 K CB 0.260 32.178 32.500 -0.970 0.000 1.019 257 K HN 0.681 nan 8.250 nan 0.000 0.475 258 T N 2.975 117.482 114.554 -0.078 0.000 2.888 258 T HA 0.103 4.453 4.350 -0.000 0.000 0.301 258 T C -0.354 174.345 174.700 -0.001 0.000 1.001 258 T CA -0.392 61.733 62.100 0.043 0.000 1.147 258 T CB 0.732 69.726 68.868 0.209 0.000 0.931 258 T HN 0.249 nan 8.240 nan 0.000 0.541 259 V N 4.972 124.856 119.914 -0.050 0.000 2.384 259 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 259 V C 0.188 176.245 176.094 -0.062 0.000 1.020 259 V CA -0.735 61.501 62.300 -0.106 0.000 0.850 259 V CB 1.626 33.384 31.823 -0.109 0.000 0.987 259 V HN 0.670 nan 8.190 nan 0.000 0.436 260 V N 5.138 125.012 119.914 -0.067 0.000 2.617 260 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 260 V C 0.237 176.300 176.094 -0.052 0.000 1.048 260 V CA -0.248 62.035 62.300 -0.028 0.000 0.964 260 V CB 1.238 33.114 31.823 0.089 0.000 1.004 260 V HN 1.094 nan 8.190 nan 0.000 0.466 261 Q N 0.000 119.751 119.800 -0.081 0.000 2.315 261 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 261 Q CA 0.000 55.760 55.803 -0.071 0.000 1.022 261 Q CB 0.000 28.725 28.738 -0.021 0.000 1.108 261 Q HN 0.000 nan 8.270 nan 0.000 0.481