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 2vcg_1_D DATA FIRST_RESID 1 DATA SEQUENCE MHHHHHHAIG YVWNTLYGWV DTGTGSLAAA NLTARMQPIS HHLAHPDTKR DATA SEQUENCE RFHELVCASG QIEHLTPIAA VAATDADILR AHSAAHLENM KRVSNLPTGG DATA SEQUENCE DTGDGITMMG NGGLEIARLS AGGAVELTRR VATGELSAGY ALVNPPGHHA DATA SEQUENCE PHNAAMGFCI FNNTSVAAGY ARAVLGMERV AILDWDVHHG NGTQDIWWND DATA SEQUENCE PSVLTISLHQ HLCFPPDSGY STERGAGNGH GYNINVPLPP GSGNAAYLHA DATA SEQUENCE MDQVVLPALR AYRPQLIIVG SGFDASMLDP LARMMVTADG FRQMARRTID DATA SEQUENCE CAADICDGRI VFVQEGGYSP HYLPFCGLAV IEELTGVRSL PDPYHEFLAG DATA SEQUENCE MGGNTLLDAE RAAIEEIVPL LADIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.210 176.300 -0.149 0.000 1.140 1 M CA 0.000 55.234 55.300 -0.110 0.000 0.988 1 M CB 0.000 32.537 32.600 -0.105 0.000 1.302 2 H N 0.574 119.441 119.070 -0.340 0.000 3.007 2 H HA 0.368 4.922 4.556 -0.003 0.000 0.251 2 H C -0.926 174.099 175.328 -0.506 0.000 1.188 2 H CA -0.313 55.523 56.048 -0.353 0.000 1.017 2 H CB 0.578 30.185 29.762 -0.258 0.000 1.805 2 H HN 0.576 nan 8.280 nan 0.000 0.659 3 H N 2.023 120.845 119.070 -0.413 0.000 2.718 3 H HA 0.323 4.880 4.556 0.001 0.000 0.295 3 H C -0.264 174.864 175.328 -0.332 0.000 1.051 3 H CA -0.453 55.439 56.048 -0.261 0.000 1.260 3 H CB 0.746 30.365 29.762 -0.238 0.000 1.403 3 H HN 0.426 nan 8.280 nan 0.000 0.488 4 H N 1.725 120.753 119.070 -0.070 0.000 2.502 4 H HA 0.060 4.615 4.556 -0.002 0.000 0.338 4 H C 0.743 175.884 175.328 -0.312 0.000 1.155 4 H CA -0.385 55.484 56.048 -0.299 0.000 1.237 4 H CB 1.974 31.420 29.762 -0.527 0.000 1.534 4 H HN 0.772 nan 8.280 nan 0.000 0.523 5 H N -0.879 118.117 119.070 -0.124 0.000 2.648 5 H HA 0.066 4.622 4.556 0.000 0.000 0.265 5 H C 0.156 175.401 175.328 -0.139 0.000 0.961 5 H CA -0.302 55.691 56.048 -0.091 0.000 1.185 5 H CB -0.348 29.401 29.762 -0.021 0.000 1.449 5 H HN 0.607 nan 8.280 nan 0.000 0.523 6 H N -1.220 117.882 119.070 0.053 0.000 2.496 6 H HA 0.391 4.946 4.556 -0.002 0.000 0.342 6 H C 0.107 175.395 175.328 -0.066 0.000 1.170 6 H CA -1.048 54.994 56.048 -0.011 0.000 1.274 6 H CB 0.698 30.494 29.762 0.056 0.000 1.538 6 H HN 0.097 nan 8.280 nan 0.000 0.542 7 H N 0.371 119.579 119.070 0.230 0.000 2.307 7 H HA 0.327 4.883 4.556 -0.001 0.000 0.349 7 H C 0.214 175.685 175.328 0.237 0.000 1.754 7 H CA 0.056 56.204 56.048 0.166 0.000 1.431 7 H CB 0.231 30.075 29.762 0.138 0.000 1.666 7 H HN 0.844 nan 8.280 nan 0.000 0.582 8 A N 1.501 124.501 122.820 0.301 0.000 2.451 8 A HA 0.248 4.567 4.320 -0.001 0.000 0.266 8 A C 0.051 177.759 177.584 0.207 0.000 1.119 8 A CA -0.181 51.984 52.037 0.214 0.000 0.786 8 A CB -0.670 18.412 19.000 0.137 0.000 1.061 8 A HN 0.355 nan 8.150 nan 0.000 0.503 9 I N 3.490 124.166 120.570 0.177 0.000 2.355 9 I HA 0.278 4.448 4.170 -0.001 0.000 0.288 9 I C 1.061 177.272 176.117 0.157 0.000 0.999 9 I CA -0.174 61.218 61.300 0.152 0.000 1.163 9 I CB 0.616 38.666 38.000 0.082 0.000 1.316 9 I HN 0.702 nan 8.210 nan 0.000 0.454 10 G N 5.810 114.715 108.800 0.175 0.000 2.491 10 G HA2 0.214 4.174 3.960 -0.001 0.000 0.242 10 G HA3 0.214 4.174 3.960 -0.001 0.000 0.242 10 G C -1.411 173.657 174.900 0.281 0.000 1.266 10 G CA 0.085 45.294 45.100 0.183 0.000 0.844 10 G HN 0.559 nan 8.290 nan 0.000 0.571 11 Y N 1.466 121.834 120.300 0.113 0.000 2.396 11 Y HA 0.484 5.034 4.550 0.000 0.000 0.332 11 Y C -1.036 174.952 175.900 0.147 0.000 1.034 11 Y CA -0.972 57.214 58.100 0.143 0.000 1.057 11 Y CB 1.933 40.458 38.460 0.108 0.000 1.220 11 Y HN 0.465 nan 8.280 nan 0.000 0.440 12 V N 6.544 126.202 119.914 -0.427 0.000 2.409 12 V HA 0.379 4.498 4.120 -0.001 0.000 0.291 12 V C -1.114 174.771 176.094 -0.348 0.000 1.020 12 V CA -0.792 61.347 62.300 -0.267 0.000 0.848 12 V CB 1.632 33.420 31.823 -0.058 0.000 0.990 12 V HN 0.823 nan 8.190 nan 0.000 0.430 13 W N 5.672 126.699 121.300 -0.456 0.000 3.211 13 W HA 0.507 5.167 4.660 0.000 0.000 0.335 13 W C -1.697 174.538 176.519 -0.474 0.000 1.113 13 W CA -0.612 56.505 57.345 -0.381 0.000 1.235 13 W CB 2.118 31.221 29.460 -0.595 0.000 1.365 13 W HN 0.682 nan 8.180 nan 0.000 0.476 14 N N 2.357 120.074 118.700 -1.638 0.000 2.321 14 N HA 0.255 4.994 4.740 -0.001 0.000 0.299 14 N C 0.872 175.331 175.510 -1.752 0.000 1.048 14 N CA -0.146 51.981 53.050 -1.538 0.000 0.836 14 N CB 2.178 39.708 38.487 -1.594 0.000 1.269 14 N HN 0.248 nan 8.380 nan 0.000 0.486 15 T N 2.373 116.331 114.554 -0.995 0.000 2.685 15 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 15 T C 1.609 175.797 174.700 -0.852 0.000 1.034 15 T CA 1.342 63.033 62.100 -0.682 0.000 1.149 15 T CB -0.283 68.281 68.868 -0.507 0.000 0.860 15 T HN 0.481 nan 8.240 nan 0.000 0.449 16 L N -0.271 120.389 121.223 -0.940 0.000 2.265 16 L HA -0.091 4.248 4.340 -0.001 0.000 0.215 16 L C 2.351 179.020 176.870 -0.335 0.000 1.117 16 L CA 0.970 55.398 54.840 -0.687 0.000 0.782 16 L CB -0.727 41.015 42.059 -0.528 0.000 0.914 16 L HN 0.272 nan 8.230 nan 0.000 0.441 17 Y N 0.491 120.424 120.300 -0.613 0.000 2.241 17 Y HA -0.168 4.382 4.550 -0.001 0.000 0.286 17 Y C 2.503 178.272 175.900 -0.218 0.000 1.166 17 Y CA 0.920 58.704 58.100 -0.527 0.000 1.203 17 Y CB -1.407 36.474 38.460 -0.965 0.000 0.977 17 Y HN 0.121 nan 8.280 nan 0.000 0.529 18 G N -2.748 106.090 108.800 0.062 0.000 2.920 18 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.208 18 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.208 18 G C 0.578 175.763 174.900 0.474 0.000 1.159 18 G CA -0.017 45.346 45.100 0.438 0.000 0.784 18 G HN 0.336 nan 8.290 nan 0.000 0.535 19 W N 0.241 121.528 121.300 -0.022 0.000 3.008 19 W HA 0.397 5.056 4.660 -0.003 0.000 0.355 19 W C 0.395 176.857 176.519 -0.094 0.000 1.095 19 W CA -1.438 55.874 57.345 -0.055 0.000 1.738 19 W CB -0.279 29.144 29.460 -0.062 0.000 1.091 19 W HN -0.210 nan 8.180 nan 0.000 0.574 20 V N 2.765 122.744 119.914 0.107 0.000 2.539 20 V HA -0.162 3.958 4.120 -0.001 0.000 0.300 20 V C 0.442 176.471 176.094 -0.108 0.000 1.019 20 V CA 0.475 62.769 62.300 -0.009 0.000 1.160 20 V CB -0.086 31.713 31.823 -0.040 0.000 0.901 20 V HN -0.102 nan 8.190 nan 0.000 0.481 21 D N 4.402 124.740 120.400 -0.102 0.000 2.344 21 D HA 0.116 4.756 4.640 -0.001 0.000 0.253 21 D C 1.242 177.417 176.300 -0.208 0.000 1.255 21 D CA 0.162 54.070 54.000 -0.154 0.000 0.894 21 D CB 1.232 41.970 40.800 -0.104 0.000 1.067 21 D HN 0.734 nan 8.370 nan 0.000 0.492 22 T N 0.844 115.219 114.554 -0.298 0.000 3.107 22 T HA 0.436 4.785 4.350 -0.001 0.000 0.249 22 T C 1.192 175.716 174.700 -0.292 0.000 1.096 22 T CA 0.133 61.980 62.100 -0.422 0.000 1.012 22 T CB -0.117 68.395 68.868 -0.592 0.000 0.977 22 T HN 0.570 nan 8.240 nan 0.000 0.527 23 G N 1.896 110.604 108.800 -0.153 0.000 2.553 23 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.242 23 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.242 23 G C 0.551 175.457 174.900 0.010 0.000 1.277 23 G CA 0.489 45.555 45.100 -0.057 0.000 0.910 23 G HN 1.049 nan 8.290 nan 0.000 0.576 24 T N -1.522 113.060 114.554 0.047 0.000 3.132 24 T HA 0.618 4.968 4.350 -0.001 0.000 0.274 24 T C 1.018 175.768 174.700 0.083 0.000 1.011 24 T CA 1.137 63.272 62.100 0.060 0.000 0.899 24 T CB 0.684 69.571 68.868 0.033 0.000 1.089 24 T HN 1.844 nan 8.240 nan 0.000 0.543 25 G N 0.337 109.219 108.800 0.137 0.000 2.511 25 G HA2 0.506 4.466 3.960 -0.001 0.000 0.316 25 G HA3 0.506 4.466 3.960 -0.001 0.000 0.316 25 G C 0.510 175.413 174.900 0.005 0.000 1.210 25 G CA -0.481 44.679 45.100 0.100 0.000 0.969 25 G HN 0.136 nan 8.290 nan 0.000 0.492 26 S N -0.915 114.718 115.700 -0.112 0.000 2.356 26 S HA 0.014 4.483 4.470 -0.001 0.000 0.219 26 S C 1.416 175.654 174.600 -0.603 0.000 1.036 26 S CA 1.036 59.088 58.200 -0.248 0.000 0.965 26 S CB -0.144 62.986 63.200 -0.117 0.000 0.864 26 S HN 0.366 nan 8.310 nan 0.000 0.471 27 L N -1.047 119.961 121.223 -0.359 0.000 2.511 27 L HA 0.589 4.928 4.340 -0.001 0.000 0.173 27 L C 0.479 177.401 176.870 0.086 0.000 1.160 27 L CA 0.696 55.411 54.840 -0.208 0.000 0.964 27 L CB -0.751 41.241 42.059 -0.111 0.000 1.892 27 L HN 0.165 nan 8.230 nan 0.000 0.497 28 A N 0.596 123.442 122.820 0.044 0.000 2.257 28 A HA 0.777 5.096 4.320 -0.001 0.000 0.290 28 A C 0.226 177.861 177.584 0.085 0.000 1.201 28 A CA 0.058 52.146 52.037 0.085 0.000 0.863 28 A CB -0.421 18.603 19.000 0.041 0.000 1.256 28 A HN 0.516 nan 8.150 nan 0.000 0.506 29 A N -0.760 122.107 122.820 0.077 0.000 2.483 29 A HA 0.512 4.831 4.320 -0.001 0.000 0.238 29 A C 0.795 178.404 177.584 0.042 0.000 1.070 29 A CA 0.249 52.325 52.037 0.066 0.000 0.770 29 A CB -0.596 18.433 19.000 0.048 0.000 1.008 29 A HN 2.150 nan 8.150 nan 0.000 0.497 30 A N 2.194 125.037 122.820 0.040 0.000 2.520 30 A HA 0.406 4.725 4.320 -0.001 0.000 0.245 30 A C 0.455 178.052 177.584 0.022 0.000 1.072 30 A CA -0.033 52.020 52.037 0.026 0.000 0.761 30 A CB -0.155 18.861 19.000 0.027 0.000 1.004 30 A HN 0.874 nan 8.150 nan 0.000 0.499 31 N N 2.730 121.440 118.700 0.017 0.000 2.480 31 N HA 0.188 4.927 4.740 -0.001 0.000 0.289 31 N C 0.135 175.652 175.510 0.011 0.000 1.073 31 N CA -0.601 52.458 53.050 0.014 0.000 0.885 31 N CB 1.396 39.891 38.487 0.013 0.000 1.421 31 N HN 0.448 nan 8.380 nan 0.000 0.503 32 L N 4.302 125.531 121.223 0.011 0.000 2.056 32 L HA -0.069 4.270 4.340 -0.001 0.000 0.207 32 L C 2.496 179.371 176.870 0.008 0.000 1.078 32 L CA 2.257 57.102 54.840 0.009 0.000 0.749 32 L CB -0.796 41.268 42.059 0.008 0.000 0.901 32 L HN 0.788 nan 8.230 nan 0.000 0.433 33 T N -3.034 111.525 114.554 0.008 0.000 2.788 33 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 33 T C 1.772 176.476 174.700 0.007 0.000 1.044 33 T CA 0.972 63.076 62.100 0.007 0.000 1.139 33 T CB -0.817 68.055 68.868 0.006 0.000 0.867 33 T HN 0.325 nan 8.240 nan 0.000 0.454 34 A N 0.946 123.770 122.820 0.008 0.000 2.206 34 A HA 0.226 4.546 4.320 -0.001 0.000 0.211 34 A C 1.130 178.718 177.584 0.008 0.000 1.158 34 A CA 0.047 52.088 52.037 0.007 0.000 0.761 34 A CB -0.394 18.610 19.000 0.008 0.000 0.801 34 A HN 0.345 nan 8.150 nan 0.000 0.473 35 R N -1.757 118.747 120.500 0.008 0.000 3.525 35 R HA -0.168 4.172 4.340 -0.001 0.000 0.276 35 R C -0.692 175.613 176.300 0.009 0.000 1.116 35 R CA 1.055 57.160 56.100 0.008 0.000 0.745 35 R CB -2.779 27.526 30.300 0.008 0.000 1.185 35 R HN 0.666 nan 8.270 nan 0.000 0.454 36 M N 0.920 120.526 119.600 0.009 0.000 2.201 36 M HA 0.142 4.621 4.480 -0.001 0.000 0.345 36 M C 0.976 177.283 176.300 0.011 0.000 1.352 36 M CA 0.284 55.590 55.300 0.009 0.000 1.218 36 M CB 1.078 33.682 32.600 0.008 0.000 1.512 36 M HN 0.023 nan 8.290 nan 0.000 0.447 37 Q N 4.341 124.148 119.800 0.012 0.000 2.330 37 Q HA 0.165 4.504 4.340 -0.001 0.000 0.279 37 Q C -2.150 173.861 176.000 0.019 0.000 1.024 37 Q CA -1.304 54.508 55.803 0.015 0.000 0.900 37 Q CB 0.615 29.362 28.738 0.015 0.000 1.221 37 Q HN 0.304 nan 8.270 nan 0.000 0.396 38 P HA 0.123 nan 4.420 nan 0.000 0.270 38 P C -0.975 176.346 177.300 0.034 0.000 1.223 38 P CA 0.136 63.253 63.100 0.028 0.000 0.785 38 P CB 0.524 32.239 31.700 0.026 0.000 0.923 39 I N -0.031 120.567 120.570 0.046 0.000 2.802 39 I HA 0.161 4.331 4.170 -0.001 0.000 0.298 39 I C 0.817 176.984 176.117 0.083 0.000 1.176 39 I CA -0.390 60.947 61.300 0.061 0.000 1.025 39 I CB 2.072 40.106 38.000 0.056 0.000 1.243 39 I HN 0.186 nan 8.210 nan 0.000 0.424 40 S N 3.740 119.502 115.700 0.102 0.000 2.387 40 S HA 0.036 4.506 4.470 -0.001 0.000 0.226 40 S C 0.515 175.171 174.600 0.093 0.000 1.026 40 S CA 0.881 59.147 58.200 0.109 0.000 0.972 40 S CB -0.202 63.089 63.200 0.151 0.000 0.814 40 S HN 0.530 nan 8.310 nan 0.000 0.477 41 H N 1.341 120.445 119.070 0.057 0.000 2.691 41 H HA 0.187 4.742 4.556 -0.001 0.000 0.281 41 H C -0.116 175.303 175.328 0.152 0.000 1.121 41 H CA -0.481 55.616 56.048 0.080 0.000 1.254 41 H CB 0.247 29.966 29.762 -0.071 0.000 1.390 41 H HN 0.305 nan 8.280 nan 0.000 0.491 42 H N 3.267 122.426 119.070 0.149 0.000 3.058 42 H HA -0.095 4.460 4.556 -0.001 0.000 0.347 42 H C 0.997 176.398 175.328 0.123 0.000 1.087 42 H CA 0.394 56.492 56.048 0.082 0.000 1.375 42 H CB 1.019 30.778 29.762 -0.005 0.000 1.312 42 H HN 0.663 nan 8.280 nan 0.000 0.607 43 L N 3.397 124.570 121.223 -0.085 0.000 2.043 43 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 43 L C 2.234 179.323 176.870 0.365 0.000 1.075 43 L CA 1.874 56.762 54.840 0.080 0.000 0.752 43 L CB -0.347 41.627 42.059 -0.141 0.000 0.891 43 L HN 0.688 nan 8.230 nan 0.000 0.432 44 A N -2.575 120.544 122.820 0.497 0.000 2.415 44 A HA 0.022 4.342 4.320 -0.001 0.000 0.248 44 A C 0.544 178.219 177.584 0.152 0.000 1.299 44 A CA -0.372 51.853 52.037 0.314 0.000 0.899 44 A CB -0.675 18.117 19.000 -0.346 0.000 0.997 44 A HN 0.306 nan 8.150 nan 0.000 0.506 45 H N 1.851 121.014 119.070 0.154 0.000 3.140 45 H HA -0.016 4.539 4.556 -0.001 0.000 0.316 45 H C -1.425 173.965 175.328 0.103 0.000 0.986 45 H CA -0.315 55.772 56.048 0.066 0.000 1.397 45 H CB 1.054 30.870 29.762 0.089 0.000 1.377 45 H HN 0.174 nan 8.280 nan 0.000 0.585 46 P HA -0.121 nan 4.420 nan 0.000 0.228 46 P C 0.798 178.315 177.300 0.362 0.000 1.151 46 P CA 0.753 63.956 63.100 0.173 0.000 0.770 46 P CB 0.404 32.157 31.700 0.088 0.000 0.786 47 D N -0.431 120.318 120.400 0.582 0.000 2.178 47 D HA -0.106 4.533 4.640 -0.001 0.000 0.201 47 D C 1.873 178.320 176.300 0.246 0.000 0.980 47 D CA 1.300 55.538 54.000 0.396 0.000 0.842 47 D CB -0.821 40.181 40.800 0.336 0.000 0.948 47 D HN 0.133 nan 8.370 nan 0.000 0.472 48 T N 0.500 115.197 114.554 0.239 0.000 2.684 48 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 48 T C 1.866 176.669 174.700 0.170 0.000 1.036 48 T CA 1.267 63.459 62.100 0.153 0.000 1.148 48 T CB -0.035 68.915 68.868 0.138 0.000 0.863 48 T HN 0.194 nan 8.240 nan 0.000 0.436 49 K N 0.372 120.914 120.400 0.236 0.000 2.167 49 K HA 0.094 4.414 4.320 -0.001 0.000 0.203 49 K C 2.498 179.193 176.600 0.158 0.000 1.052 49 K CA 0.462 56.927 56.287 0.296 0.000 0.956 49 K CB -0.053 32.673 32.500 0.376 0.000 0.735 49 K HN 0.143 nan 8.250 nan 0.000 0.451 50 R N 1.490 122.104 120.500 0.190 0.000 2.081 50 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 50 R C 2.000 178.238 176.300 -0.104 0.000 1.131 50 R CA 1.428 57.517 56.100 -0.019 0.000 0.960 50 R CB 0.034 30.479 30.300 0.242 0.000 0.856 50 R HN 0.075 nan 8.270 nan 0.000 0.436 51 R N -0.601 119.902 120.500 0.006 0.000 2.115 51 R HA -0.130 4.210 4.340 -0.001 0.000 0.230 51 R C 2.156 178.425 176.300 -0.052 0.000 1.111 51 R CA 1.590 57.669 56.100 -0.034 0.000 0.976 51 R CB -0.337 29.953 30.300 -0.018 0.000 0.870 51 R HN 0.342 nan 8.270 nan 0.000 0.445 52 F N 0.749 120.577 119.950 -0.203 0.000 2.084 52 F HA -0.275 4.251 4.527 -0.001 0.000 0.296 52 F C 2.639 178.274 175.800 -0.275 0.000 1.111 52 F CA 1.436 59.285 58.000 -0.251 0.000 1.224 52 F CB -0.209 38.691 39.000 -0.167 0.000 0.991 52 F HN 0.150 nan 8.300 nan 0.000 0.471 53 H N 0.743 119.492 119.070 -0.535 0.000 2.319 53 H HA -0.197 4.359 4.556 0.000 0.000 0.299 53 H C 1.887 176.951 175.328 -0.440 0.000 1.092 53 H CA 2.276 57.908 56.048 -0.694 0.000 1.302 53 H CB -0.313 28.568 29.762 -1.468 0.000 1.373 53 H HN 0.455 nan 8.280 nan 0.000 0.497 54 E N 0.123 120.027 120.200 -0.492 0.000 2.153 54 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 54 E C 2.381 178.782 176.600 -0.332 0.000 0.988 54 E CA 0.759 56.915 56.400 -0.407 0.000 0.811 54 E CB -0.021 29.559 29.700 -0.201 0.000 0.746 54 E HN 0.296 nan 8.360 nan 0.000 0.466 55 L N 0.720 121.776 121.223 -0.279 0.000 2.056 55 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 55 L C 2.216 178.930 176.870 -0.260 0.000 1.078 55 L CA 1.206 55.886 54.840 -0.266 0.000 0.749 55 L CB -0.317 41.530 42.059 -0.354 0.000 0.901 55 L HN -0.088 nan 8.230 nan 0.000 0.433 56 V N -0.928 118.811 119.914 -0.292 0.000 2.324 56 V HA -0.412 3.707 4.120 -0.001 0.000 0.250 56 V C 2.597 178.472 176.094 -0.365 0.000 1.060 56 V CA 2.082 64.168 62.300 -0.356 0.000 1.042 56 V CB -0.911 30.584 31.823 -0.546 0.000 0.650 56 V HN 0.641 nan 8.190 nan 0.000 0.450 57 C N -0.159 118.881 119.300 -0.433 0.000 2.489 57 C HA 0.047 4.507 4.460 -0.001 0.000 0.279 57 C C 3.067 177.932 174.990 -0.208 0.000 1.266 57 C CA 0.587 59.404 59.018 -0.334 0.000 1.707 57 C CB -1.295 26.205 27.740 -0.400 0.000 2.059 57 C HN 0.622 nan 8.230 nan 0.000 0.481 58 A N 1.311 124.014 122.820 -0.195 0.000 2.015 58 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 58 A C 2.229 179.762 177.584 -0.087 0.000 1.163 58 A CA 2.015 53.979 52.037 -0.121 0.000 0.646 58 A CB -0.735 18.200 19.000 -0.108 0.000 0.806 58 A HN 0.716 nan 8.150 nan 0.000 0.448 59 S N -1.854 113.785 115.700 -0.100 0.000 2.515 59 S HA 0.291 4.761 4.470 -0.001 0.000 0.231 59 S C 1.592 176.176 174.600 -0.027 0.000 0.987 59 S CA 1.250 59.418 58.200 -0.054 0.000 0.936 59 S CB -0.409 62.752 63.200 -0.065 0.000 0.766 59 S HN 1.891 nan 8.310 nan 0.000 0.528 60 G N 0.603 109.373 108.800 -0.050 0.000 2.195 60 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.246 60 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.246 60 G C 0.906 175.819 174.900 0.021 0.000 0.984 60 G CA 0.378 45.467 45.100 -0.018 0.000 0.633 60 G HN 0.393 nan 8.290 nan 0.000 0.525 61 Q N -0.207 119.588 119.800 -0.007 0.000 2.135 61 Q HA -0.047 4.293 4.340 -0.001 0.000 0.204 61 Q C 2.598 178.552 176.000 -0.077 0.000 0.981 61 Q CA 1.620 57.432 55.803 0.015 0.000 0.856 61 Q CB -0.282 28.387 28.738 -0.115 0.000 0.902 61 Q HN 0.757 nan 8.270 nan 0.000 0.425 62 I N 1.672 122.125 120.570 -0.195 0.000 2.423 62 I HA -0.233 3.937 4.170 -0.001 0.000 0.254 62 I C 1.547 177.570 176.117 -0.156 0.000 1.151 62 I CA 1.379 62.540 61.300 -0.232 0.000 1.421 62 I CB -0.050 37.814 38.000 -0.226 0.000 1.079 62 I HN 0.072 nan 8.210 nan 0.000 0.431 63 E N -0.438 119.651 120.200 -0.186 0.000 2.347 63 E HA -0.133 4.216 4.350 -0.001 0.000 0.196 63 E C 1.373 177.754 176.600 -0.365 0.000 1.008 63 E CA 0.865 57.104 56.400 -0.270 0.000 0.852 63 E CB -0.414 29.091 29.700 -0.326 0.000 0.783 63 E HN 0.682 nan 8.360 nan 0.000 0.505 64 H N -0.688 118.374 119.070 -0.013 0.000 2.652 64 H HA 0.280 4.837 4.556 0.001 0.000 0.274 64 H C 0.620 175.836 175.328 -0.187 0.000 1.021 64 H CA -0.019 56.004 56.048 -0.042 0.000 1.187 64 H CB 1.009 30.714 29.762 -0.095 0.000 1.505 64 H HN 0.005 nan 8.280 nan 0.000 0.530 65 L N 0.908 122.096 121.223 -0.058 0.000 2.334 65 L HA 0.327 4.666 4.340 -0.001 0.000 0.270 65 L C 0.195 177.080 176.870 0.025 0.000 1.018 65 L CA -0.596 54.230 54.840 -0.024 0.000 0.811 65 L CB 1.857 43.876 42.059 -0.067 0.000 1.271 65 L HN -0.131 nan 8.230 nan 0.000 0.443 66 T N 2.175 116.780 114.554 0.084 0.000 2.853 66 T HA 0.295 4.645 4.350 -0.001 0.000 0.317 66 T C -2.480 172.303 174.700 0.139 0.000 1.059 66 T CA -1.264 60.888 62.100 0.088 0.000 0.954 66 T CB 0.889 69.806 68.868 0.083 0.000 0.994 66 T HN 0.226 nan 8.240 nan 0.000 0.479 67 P HA 0.164 nan 4.420 nan 0.000 0.263 67 P C -0.658 176.701 177.300 0.098 0.000 1.195 67 P CA -0.234 62.971 63.100 0.174 0.000 0.762 67 P CB 0.342 32.132 31.700 0.150 0.000 0.799 68 I N 2.652 123.268 120.570 0.077 0.000 2.418 68 I HA 0.355 4.524 4.170 -0.001 0.000 0.287 68 I C 0.505 176.613 176.117 -0.016 0.000 1.008 68 I CA -1.483 59.834 61.300 0.028 0.000 1.104 68 I CB 1.124 39.142 38.000 0.030 0.000 1.264 68 I HN 0.289 nan 8.210 nan 0.000 0.438 69 A N 5.234 128.034 122.820 -0.034 0.000 2.488 69 A HA 0.574 4.894 4.320 -0.001 0.000 0.249 69 A C 0.701 178.233 177.584 -0.087 0.000 1.083 69 A CA -0.193 51.798 52.037 -0.077 0.000 0.768 69 A CB 0.161 19.117 19.000 -0.074 0.000 1.017 69 A HN 0.892 nan 8.150 nan 0.000 0.496 70 A N 2.453 125.197 122.820 -0.127 0.000 2.445 70 A HA 0.502 4.822 4.320 -0.001 0.000 0.242 70 A C 0.148 177.669 177.584 -0.106 0.000 1.075 70 A CA -0.040 51.935 52.037 -0.104 0.000 0.777 70 A CB 0.091 19.020 19.000 -0.119 0.000 1.013 70 A HN 1.090 nan 8.150 nan 0.000 0.493 71 V N 1.310 121.173 119.914 -0.085 0.000 2.715 71 V HA 0.592 4.711 4.120 -0.001 0.000 0.310 71 V C 0.746 176.798 176.094 -0.070 0.000 1.054 71 V CA -0.338 61.914 62.300 -0.081 0.000 0.928 71 V CB 1.731 33.509 31.823 -0.075 0.000 1.007 71 V HN 1.235 nan 8.190 nan 0.000 0.437 72 A N 3.205 125.987 122.820 -0.063 0.000 2.492 72 A HA 0.610 4.929 4.320 -0.001 0.000 0.254 72 A C 0.747 178.303 177.584 -0.047 0.000 1.091 72 A CA 0.350 52.359 52.037 -0.046 0.000 0.768 72 A CB -0.089 18.885 19.000 -0.043 0.000 1.028 72 A HN 1.489 nan 8.150 nan 0.000 0.498 73 A N 3.732 126.526 122.820 -0.045 0.000 2.548 73 A HA 0.458 4.777 4.320 -0.001 0.000 0.247 73 A C 1.132 178.673 177.584 -0.073 0.000 1.067 73 A CA 0.590 52.587 52.037 -0.067 0.000 0.757 73 A CB -0.589 18.359 19.000 -0.086 0.000 0.996 73 A HN 1.527 nan 8.150 nan 0.000 0.504 74 T N 0.521 115.041 114.554 -0.057 0.000 2.788 74 T HA 0.231 4.580 4.350 -0.001 0.000 0.287 74 T C 0.572 175.223 174.700 -0.081 0.000 1.007 74 T CA 0.134 62.204 62.100 -0.051 0.000 1.005 74 T CB 0.508 69.365 68.868 -0.020 0.000 1.012 74 T HN 0.537 nan 8.240 nan 0.000 0.530 75 D N 1.058 121.416 120.400 -0.071 0.000 2.116 75 D HA -0.119 4.520 4.640 -0.001 0.000 0.193 75 D C 2.343 178.605 176.300 -0.064 0.000 0.998 75 D CA 1.959 55.910 54.000 -0.082 0.000 0.836 75 D CB -0.870 39.901 40.800 -0.050 0.000 0.951 75 D HN 0.756 nan 8.370 nan 0.000 0.449 76 A N 1.042 123.844 122.820 -0.030 0.000 1.902 76 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 76 A C 1.836 179.424 177.584 0.007 0.000 1.181 76 A CA 1.869 53.904 52.037 -0.005 0.000 0.623 76 A CB -0.468 18.540 19.000 0.012 0.000 0.818 76 A HN 0.076 nan 8.150 nan 0.000 0.443 77 D N 0.209 120.614 120.400 0.008 0.000 2.092 77 D HA -0.154 4.485 4.640 -0.001 0.000 0.193 77 D C 1.911 178.199 176.300 -0.021 0.000 0.994 77 D CA 1.279 55.297 54.000 0.029 0.000 0.828 77 D CB -0.362 40.442 40.800 0.007 0.000 0.963 77 D HN 0.322 nan 8.370 nan 0.000 0.450 78 I N 0.912 121.408 120.570 -0.123 0.000 2.226 78 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 78 I C 2.521 178.599 176.117 -0.065 0.000 1.100 78 I CA 0.706 61.883 61.300 -0.204 0.000 1.374 78 I CB -0.974 36.691 38.000 -0.558 0.000 1.057 78 I HN 0.062 nan 8.210 nan 0.000 0.413 79 L N 0.100 121.291 121.223 -0.052 0.000 2.362 79 L HA -0.137 4.203 4.340 -0.001 0.000 0.219 79 L C 2.482 179.360 176.870 0.013 0.000 1.134 79 L CA 0.738 55.573 54.840 -0.009 0.000 0.807 79 L CB -0.461 41.594 42.059 -0.006 0.000 0.927 79 L HN 0.221 nan 8.230 nan 0.000 0.447 80 R N -0.291 120.218 120.500 0.016 0.000 2.280 80 R HA -0.029 4.310 4.340 -0.001 0.000 0.207 80 R C 1.773 178.053 176.300 -0.032 0.000 1.043 80 R CA 0.997 57.120 56.100 0.038 0.000 1.006 80 R CB -0.060 30.299 30.300 0.098 0.000 0.885 80 R HN 0.329 nan 8.270 nan 0.000 0.467 81 A N -0.510 122.241 122.820 -0.115 0.000 2.226 81 A HA 0.184 4.503 4.320 -0.001 0.000 0.207 81 A C 0.103 177.397 177.584 -0.483 0.000 1.293 81 A CA -0.107 51.717 52.037 -0.355 0.000 0.968 81 A CB 0.461 19.247 19.000 -0.358 0.000 1.044 81 A HN 0.099 nan 8.150 nan 0.000 0.493 82 H N 0.146 119.157 119.070 -0.097 0.000 2.797 82 H HA 0.457 5.012 4.556 -0.001 0.000 0.372 82 H C -0.144 174.858 175.328 -0.544 0.000 1.168 82 H CA -0.121 55.716 56.048 -0.352 0.000 1.163 82 H CB 1.763 31.539 29.762 0.023 0.000 1.778 82 H HN 0.313 nan 8.280 nan 0.000 0.551 83 S N 0.139 115.427 115.700 -0.686 0.000 2.579 83 S HA 0.209 4.679 4.470 -0.001 0.000 0.275 83 S C 1.420 175.997 174.600 -0.037 0.000 1.345 83 S CA -0.154 57.873 58.200 -0.288 0.000 1.031 83 S CB 1.161 64.263 63.200 -0.164 0.000 0.892 83 S HN 0.754 nan 8.310 nan 0.000 0.529 84 A N 2.475 125.298 122.820 0.005 0.000 1.940 84 A HA 0.083 4.402 4.320 -0.001 0.000 0.219 84 A C 2.409 180.004 177.584 0.017 0.000 1.176 84 A CA 1.859 53.904 52.037 0.012 0.000 0.631 84 A CB -1.659 17.351 19.000 0.017 0.000 0.814 84 A HN 1.381 nan 8.150 nan 0.000 0.446 85 A N -1.216 121.622 122.820 0.029 0.000 1.902 85 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 85 A C 2.135 179.756 177.584 0.060 0.000 1.181 85 A CA 1.789 53.849 52.037 0.037 0.000 0.623 85 A CB -0.968 18.057 19.000 0.041 0.000 0.818 85 A HN 0.804 nan 8.150 nan 0.000 0.443 86 H N -0.593 118.463 119.070 -0.024 0.000 2.299 86 H HA -0.050 4.506 4.556 -0.001 0.000 0.302 86 H C 2.101 177.454 175.328 0.043 0.000 1.078 86 H CA 1.495 57.533 56.048 -0.015 0.000 1.323 86 H CB -0.218 29.518 29.762 -0.043 0.000 1.381 86 H HN 0.384 nan 8.280 nan 0.000 0.498 87 L N 0.853 122.034 121.223 -0.071 0.000 1.997 87 L HA -0.236 4.104 4.340 -0.001 0.000 0.216 87 L C 2.638 179.472 176.870 -0.061 0.000 1.074 87 L CA 2.200 57.003 54.840 -0.062 0.000 0.763 87 L CB -0.407 41.625 42.059 -0.044 0.000 0.890 87 L HN 0.340 nan 8.230 nan 0.000 0.434 88 E N 0.355 120.531 120.200 -0.039 0.000 2.077 88 E HA -0.267 4.083 4.350 -0.001 0.000 0.193 88 E C 1.819 178.394 176.600 -0.042 0.000 0.989 88 E CA 1.679 58.062 56.400 -0.029 0.000 0.800 88 E CB -0.267 29.426 29.700 -0.012 0.000 0.746 88 E HN 0.414 nan 8.360 nan 0.000 0.452 89 N N -0.796 117.872 118.700 -0.053 0.000 2.166 89 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 89 N C 1.483 176.934 175.510 -0.098 0.000 1.019 89 N CA 1.477 54.494 53.050 -0.055 0.000 0.856 89 N CB -0.066 38.411 38.487 -0.017 0.000 0.993 89 N HN 0.152 nan 8.380 nan 0.000 0.426 90 M N 0.565 120.056 119.600 -0.180 0.000 2.132 90 M HA -0.043 4.436 4.480 -0.001 0.000 0.263 90 M C 1.797 178.043 176.300 -0.090 0.000 1.065 90 M CA 1.212 56.394 55.300 -0.196 0.000 1.122 90 M CB -0.857 31.539 32.600 -0.341 0.000 1.365 90 M HN 0.147 nan 8.290 nan 0.000 0.411 91 K N -0.255 120.117 120.400 -0.047 0.000 2.032 91 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 91 K C 2.215 178.797 176.600 -0.030 0.000 1.048 91 K CA 1.367 57.640 56.287 -0.024 0.000 0.927 91 K CB -0.269 32.222 32.500 -0.015 0.000 0.712 91 K HN 0.252 nan 8.250 nan 0.000 0.441 92 R N 1.029 121.509 120.500 -0.034 0.000 2.080 92 R HA -0.146 4.193 4.340 -0.001 0.000 0.236 92 R C 2.134 178.415 176.300 -0.031 0.000 1.137 92 R CA 1.594 57.678 56.100 -0.028 0.000 0.943 92 R CB -0.304 29.981 30.300 -0.024 0.000 0.846 92 R HN 0.004 nan 8.270 nan 0.000 0.431 93 V N 0.293 120.182 119.914 -0.042 0.000 2.343 93 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 93 V C 2.365 178.435 176.094 -0.040 0.000 1.051 93 V CA 2.092 64.367 62.300 -0.042 0.000 1.036 93 V CB -0.470 31.321 31.823 -0.053 0.000 0.654 93 V HN 0.455 nan 8.190 nan 0.000 0.451 94 S N -0.179 115.493 115.700 -0.046 0.000 2.447 94 S HA -0.169 4.301 4.470 -0.001 0.000 0.233 94 S C 1.670 176.255 174.600 -0.024 0.000 1.006 94 S CA 1.825 60.003 58.200 -0.037 0.000 0.957 94 S CB -0.604 62.575 63.200 -0.036 0.000 0.773 94 S HN 0.751 nan 8.310 nan 0.000 0.507 95 N N -0.061 118.625 118.700 -0.022 0.000 2.446 95 N HA 0.128 4.867 4.740 -0.001 0.000 0.179 95 N C -0.542 174.959 175.510 -0.015 0.000 1.054 95 N CA -0.250 52.791 53.050 -0.016 0.000 0.905 95 N CB 0.044 38.523 38.487 -0.015 0.000 0.973 95 N HN 0.226 nan 8.380 nan 0.000 0.448 96 L N 1.373 122.585 121.223 -0.017 0.000 2.506 96 L HA 0.020 4.360 4.340 -0.001 0.000 0.281 96 L C -1.220 175.642 176.870 -0.013 0.000 1.228 96 L CA -1.029 53.802 54.840 -0.015 0.000 0.850 96 L CB 0.045 42.094 42.059 -0.016 0.000 1.110 96 L HN -0.053 nan 8.230 nan 0.000 0.496 97 P HA -0.120 nan 4.420 nan 0.000 0.216 97 P C 0.734 178.028 177.300 -0.011 0.000 1.153 97 P CA 1.615 64.709 63.100 -0.010 0.000 0.858 97 P CB 0.156 31.850 31.700 -0.009 0.000 0.789 98 T N -5.428 109.118 114.554 -0.013 0.000 3.228 98 T HA 0.579 4.928 4.350 -0.001 0.000 0.278 98 T C 0.924 175.613 174.700 -0.018 0.000 1.014 98 T CA -0.058 62.033 62.100 -0.015 0.000 0.904 98 T CB -0.316 68.544 68.868 -0.014 0.000 1.110 98 T HN 0.310 nan 8.240 nan 0.000 0.541 99 G N 0.568 109.356 108.800 -0.019 0.000 2.552 99 G HA2 0.288 4.247 3.960 -0.001 0.000 0.265 99 G HA3 0.288 4.247 3.960 -0.001 0.000 0.265 99 G C 0.170 175.057 174.900 -0.022 0.000 1.234 99 G CA -0.266 44.820 45.100 -0.024 0.000 0.944 99 G HN 1.841 nan 8.290 nan 0.000 0.568 100 G N -1.750 107.035 108.800 -0.025 0.000 2.367 100 G HA2 0.501 4.460 3.960 -0.001 0.000 0.272 100 G HA3 0.501 4.460 3.960 -0.001 0.000 0.272 100 G C -1.532 173.357 174.900 -0.018 0.000 1.271 100 G CA 0.706 45.794 45.100 -0.019 0.000 0.893 100 G HN 1.358 nan 8.290 nan 0.000 0.485 101 D N 0.645 121.039 120.400 -0.010 0.000 2.383 101 D HA 0.383 5.022 4.640 -0.001 0.000 0.252 101 D C 1.892 178.185 176.300 -0.010 0.000 1.166 101 D CA 0.649 54.646 54.000 -0.004 0.000 0.879 101 D CB 1.428 42.228 40.800 0.001 0.000 1.164 101 D HN 0.570 nan 8.370 nan 0.000 0.462 102 T N 0.634 115.182 114.554 -0.010 0.000 3.088 102 T HA 0.277 4.627 4.350 -0.001 0.000 0.259 102 T C 1.267 175.968 174.700 0.002 0.000 1.122 102 T CA 0.667 62.758 62.100 -0.015 0.000 1.095 102 T CB 0.378 69.231 68.868 -0.025 0.000 0.930 102 T HN 0.541 nan 8.240 nan 0.000 0.508 103 G N 1.877 110.678 108.800 0.002 0.000 3.511 103 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.218 103 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.218 103 G C 0.577 175.474 174.900 -0.003 0.000 1.001 103 G CA 0.436 45.536 45.100 0.001 0.000 0.877 103 G HN 0.566 nan 8.290 nan 0.000 0.450 104 D N 0.843 121.242 120.400 -0.003 0.000 2.349 104 D HA 0.374 5.013 4.640 -0.001 0.000 0.214 104 D C 1.834 178.136 176.300 0.004 0.000 1.063 104 D CA 0.859 54.856 54.000 -0.006 0.000 0.847 104 D CB -0.181 40.611 40.800 -0.013 0.000 0.933 104 D HN 1.535 nan 8.370 nan 0.000 0.513 105 G N 1.055 109.861 108.800 0.011 0.000 2.179 105 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.260 105 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.260 105 G C 0.912 175.835 174.900 0.038 0.000 0.977 105 G CA 0.733 45.844 45.100 0.019 0.000 0.641 105 G HN 0.623 nan 8.290 nan 0.000 0.533 106 I N -3.802 116.798 120.570 0.049 0.000 4.338 106 I HA 0.420 4.590 4.170 -0.001 0.000 0.315 106 I C 0.686 176.901 176.117 0.163 0.000 1.262 106 I CA 0.393 61.759 61.300 0.110 0.000 1.298 106 I CB 0.400 38.465 38.000 0.108 0.000 1.257 106 I HN -0.072 nan 8.210 nan 0.000 0.444 107 T N 5.265 119.888 114.554 0.115 0.000 2.727 107 T HA 0.449 4.799 4.350 -0.001 0.000 0.295 107 T C -0.037 174.696 174.700 0.055 0.000 0.915 107 T CA 0.021 62.202 62.100 0.135 0.000 1.066 107 T CB 0.418 69.338 68.868 0.087 0.000 0.891 107 T HN 0.072 nan 8.240 nan 0.000 0.516 108 M N 3.760 123.379 119.600 0.032 0.000 2.436 108 M HA 0.524 5.004 4.480 -0.001 0.000 0.331 108 M C -0.344 175.931 176.300 -0.041 0.000 1.135 108 M CA -0.676 54.616 55.300 -0.014 0.000 0.987 108 M CB 1.743 34.327 32.600 -0.028 0.000 1.687 108 M HN 0.438 nan 8.290 nan 0.000 0.445 109 M N 1.159 120.730 119.600 -0.049 0.000 2.253 109 M HA 0.510 4.990 4.480 -0.001 0.000 0.314 109 M C 0.535 176.807 176.300 -0.046 0.000 1.019 109 M CA -0.514 54.752 55.300 -0.058 0.000 0.932 109 M CB 2.334 34.888 32.600 -0.076 0.000 1.606 109 M HN 0.897 nan 8.290 nan 0.000 0.430 110 G N 1.827 110.602 108.800 -0.041 0.000 2.653 110 G HA2 0.052 4.011 3.960 -0.001 0.000 0.265 110 G HA3 0.052 4.011 3.960 -0.001 0.000 0.265 110 G C -0.248 174.637 174.900 -0.025 0.000 1.237 110 G CA -0.467 44.614 45.100 -0.031 0.000 0.946 110 G HN 0.815 nan 8.290 nan 0.000 0.522 111 N N -0.647 118.042 118.700 -0.018 0.000 2.412 111 N HA 0.326 5.066 4.740 -0.001 0.000 0.258 111 N C 1.432 176.936 175.510 -0.009 0.000 1.236 111 N CA 1.502 54.543 53.050 -0.014 0.000 0.882 111 N CB 0.373 38.854 38.487 -0.010 0.000 1.066 111 N HN 1.139 nan 8.380 nan 0.000 0.465 112 G N 1.868 110.661 108.800 -0.011 0.000 2.175 112 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.265 112 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.265 112 G C 1.033 175.927 174.900 -0.009 0.000 0.979 112 G CA 0.665 45.760 45.100 -0.008 0.000 0.663 112 G HN 0.914 nan 8.290 nan 0.000 0.533 113 G N 0.095 108.885 108.800 -0.017 0.000 2.479 113 G HA2 0.006 3.966 3.960 -0.001 0.000 0.220 113 G HA3 0.006 3.966 3.960 -0.001 0.000 0.220 113 G C 1.666 176.548 174.900 -0.029 0.000 1.115 113 G CA 1.510 46.595 45.100 -0.025 0.000 0.757 113 G HN 0.970 nan 8.290 nan 0.000 0.560 114 L N 0.777 121.986 121.223 -0.024 0.000 2.131 114 L HA -0.009 4.331 4.340 -0.001 0.000 0.210 114 L C 2.514 179.407 176.870 0.039 0.000 1.092 114 L CA 2.346 57.190 54.840 0.007 0.000 0.759 114 L CB -0.500 41.573 42.059 0.024 0.000 0.903 114 L HN 0.465 nan 8.230 nan 0.000 0.435 115 E N -0.295 119.910 120.200 0.009 0.000 2.085 115 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 115 E C 2.164 178.761 176.600 -0.004 0.000 0.994 115 E CA 1.994 58.390 56.400 -0.006 0.000 0.801 115 E CB -0.210 29.470 29.700 -0.033 0.000 0.743 115 E HN 0.667 nan 8.360 nan 0.000 0.453 116 I N 0.800 121.368 120.570 -0.004 0.000 2.286 116 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 116 I C 2.662 178.818 176.117 0.066 0.000 1.104 116 I CA 0.835 62.143 61.300 0.013 0.000 1.397 116 I CB -0.427 37.578 38.000 0.010 0.000 1.072 116 I HN 0.147 nan 8.210 nan 0.000 0.417 117 A N 1.179 124.032 122.820 0.054 0.000 1.908 117 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 117 A C 2.433 180.172 177.584 0.259 0.000 1.181 117 A CA 1.685 53.786 52.037 0.107 0.000 0.627 117 A CB -0.615 18.361 19.000 -0.040 0.000 0.818 117 A HN 0.338 nan 8.150 nan 0.000 0.445 118 R N -0.865 119.762 120.500 0.211 0.000 2.092 118 R HA 0.037 4.377 4.340 -0.001 0.000 0.231 118 R C 2.019 178.363 176.300 0.073 0.000 1.119 118 R CA 1.237 57.416 56.100 0.131 0.000 0.970 118 R CB -0.408 29.930 30.300 0.063 0.000 0.864 118 R HN 0.513 nan 8.270 nan 0.000 0.440 119 L N -0.170 121.095 121.223 0.070 0.000 2.109 119 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 119 L C 2.590 179.584 176.870 0.207 0.000 1.086 119 L CA 0.901 55.784 54.840 0.071 0.000 0.760 119 L CB -0.341 41.706 42.059 -0.020 0.000 0.910 119 L HN 0.181 nan 8.230 nan 0.000 0.437 120 S N -0.262 115.552 115.700 0.190 0.000 2.345 120 S HA -0.167 4.303 4.470 -0.001 0.000 0.220 120 S C 2.160 176.753 174.600 -0.013 0.000 1.031 120 S CA 1.312 59.492 58.200 -0.032 0.000 0.996 120 S CB -0.104 63.028 63.200 -0.114 0.000 0.882 120 S HN 0.431 nan 8.310 nan 0.000 0.445 121 A N 0.780 123.639 122.820 0.064 0.000 1.902 121 A HA 0.086 4.406 4.320 -0.001 0.000 0.217 121 A C 2.334 179.915 177.584 -0.004 0.000 1.181 121 A CA 1.885 53.955 52.037 0.056 0.000 0.623 121 A CB -1.602 17.459 19.000 0.103 0.000 0.818 121 A HN 0.636 nan 8.150 nan 0.000 0.443 122 G N -0.824 107.972 108.800 -0.006 0.000 2.443 122 G HA2 0.072 4.031 3.960 -0.001 0.000 0.219 122 G HA3 0.072 4.031 3.960 -0.001 0.000 0.219 122 G C 1.440 176.306 174.900 -0.056 0.000 1.131 122 G CA 1.217 46.286 45.100 -0.052 0.000 0.775 122 G HN 0.699 nan 8.290 nan 0.000 0.547 123 G N 1.131 109.930 108.800 -0.002 0.000 2.421 123 G HA2 0.049 4.009 3.960 -0.001 0.000 0.216 123 G HA3 0.049 4.009 3.960 -0.001 0.000 0.216 123 G C 2.037 176.911 174.900 -0.043 0.000 1.171 123 G CA 1.462 46.567 45.100 0.008 0.000 0.775 123 G HN 0.583 nan 8.290 nan 0.000 0.543 124 A N 0.109 122.894 122.820 -0.058 0.000 1.902 124 A HA 0.087 4.407 4.320 -0.001 0.000 0.217 124 A C 2.617 180.143 177.584 -0.097 0.000 1.181 124 A CA 1.825 53.819 52.037 -0.071 0.000 0.623 124 A CB -0.656 18.308 19.000 -0.061 0.000 0.818 124 A HN 0.249 nan 8.150 nan 0.000 0.443 125 V N 0.117 119.947 119.914 -0.141 0.000 2.261 125 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 125 V C 2.654 178.548 176.094 -0.333 0.000 1.047 125 V CA 2.206 64.328 62.300 -0.297 0.000 1.015 125 V CB -0.740 30.852 31.823 -0.385 0.000 0.642 125 V HN 0.504 nan 8.190 nan 0.000 0.446 126 E N -0.200 119.865 120.200 -0.225 0.000 2.085 126 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 126 E C 2.094 178.639 176.600 -0.092 0.000 0.994 126 E CA 1.328 57.633 56.400 -0.158 0.000 0.801 126 E CB -0.482 29.159 29.700 -0.100 0.000 0.743 126 E HN 0.423 nan 8.360 nan 0.000 0.453 127 L N 0.881 122.066 121.223 -0.063 0.000 2.017 127 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 127 L C 2.215 179.080 176.870 -0.009 0.000 1.073 127 L CA 1.930 56.761 54.840 -0.015 0.000 0.745 127 L CB -1.048 41.012 42.059 0.001 0.000 0.894 127 L HN 0.053 nan 8.230 nan 0.000 0.432 128 T N -0.312 114.220 114.554 -0.037 0.000 2.684 128 T HA -0.255 4.095 4.350 -0.001 0.000 0.267 128 T C 1.991 176.718 174.700 0.044 0.000 1.036 128 T CA 1.746 63.846 62.100 -0.000 0.000 1.148 128 T CB -0.295 68.574 68.868 0.002 0.000 0.863 128 T HN 0.342 nan 8.240 nan 0.000 0.436 129 R N 0.865 121.373 120.500 0.014 0.000 2.096 129 R HA -0.093 4.246 4.340 -0.001 0.000 0.240 129 R C 2.483 178.827 176.300 0.074 0.000 1.139 129 R CA 1.536 57.703 56.100 0.110 0.000 0.952 129 R CB -0.079 30.235 30.300 0.024 0.000 0.854 129 R HN 0.329 nan 8.270 nan 0.000 0.436 130 R N -0.415 120.107 120.500 0.036 0.000 2.193 130 R HA 0.004 4.343 4.340 -0.001 0.000 0.213 130 R C 2.208 178.537 176.300 0.050 0.000 1.055 130 R CA 0.795 56.920 56.100 0.041 0.000 0.995 130 R CB 0.102 30.422 30.300 0.032 0.000 0.893 130 R HN 0.119 nan 8.270 nan 0.000 0.459 131 V N 1.005 120.951 119.914 0.053 0.000 2.307 131 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 131 V C 2.452 178.575 176.094 0.047 0.000 1.045 131 V CA 1.966 64.300 62.300 0.057 0.000 1.024 131 V CB -0.603 31.255 31.823 0.059 0.000 0.651 131 V HN 0.351 nan 8.190 nan 0.000 0.449 132 A N 0.893 123.745 122.820 0.052 0.000 1.908 132 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 132 A C 2.438 180.044 177.584 0.037 0.000 1.181 132 A CA 2.602 54.668 52.037 0.047 0.000 0.627 132 A CB -1.064 17.977 19.000 0.069 0.000 0.818 132 A HN 0.651 nan 8.150 nan 0.000 0.445 133 T N -4.037 110.543 114.554 0.043 0.000 3.051 133 T HA 0.303 4.653 4.350 -0.001 0.000 0.269 133 T C 1.584 176.297 174.700 0.022 0.000 1.127 133 T CA 1.263 63.382 62.100 0.032 0.000 1.107 133 T CB -0.307 68.583 68.868 0.036 0.000 0.898 133 T HN 1.787 nan 8.240 nan 0.000 0.517 134 G N 1.066 109.880 108.800 0.023 0.000 2.199 134 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.254 134 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.254 134 G C 0.639 175.549 174.900 0.018 0.000 0.982 134 G CA 0.677 45.784 45.100 0.012 0.000 0.632 134 G HN 0.602 nan 8.290 nan 0.000 0.529 135 E N -0.264 119.953 120.200 0.029 0.000 2.070 135 E HA -0.051 4.299 4.350 -0.001 0.000 0.197 135 E C 0.981 177.612 176.600 0.053 0.000 1.004 135 E CA 0.966 57.389 56.400 0.037 0.000 0.805 135 E CB -0.099 29.624 29.700 0.038 0.000 0.744 135 E HN 0.627 nan 8.360 nan 0.000 0.451 136 L N 0.236 121.496 121.223 0.062 0.000 2.334 136 L HA 0.185 4.525 4.340 -0.001 0.000 0.273 136 L C 1.329 178.253 176.870 0.090 0.000 1.013 136 L CA -0.359 54.535 54.840 0.090 0.000 0.816 136 L CB 1.902 44.019 42.059 0.097 0.000 1.278 136 L HN 0.021 nan 8.230 nan 0.000 0.431 137 S N 0.647 116.423 115.700 0.127 0.000 2.446 137 S HA 0.392 4.862 4.470 -0.001 0.000 0.225 137 S C 0.564 175.252 174.600 0.147 0.000 1.016 137 S CA 0.346 58.623 58.200 0.129 0.000 0.943 137 S CB 0.253 63.578 63.200 0.207 0.000 0.786 137 S HN 0.784 nan 8.310 nan 0.000 0.508 138 A N -0.843 122.078 122.820 0.168 0.000 2.511 138 A HA 0.792 5.112 4.320 -0.001 0.000 0.293 138 A C -0.341 177.366 177.584 0.206 0.000 1.098 138 A CA -0.385 51.767 52.037 0.191 0.000 0.643 138 A CB 0.577 19.723 19.000 0.242 0.000 1.302 138 A HN 1.291 nan 8.150 nan 0.000 0.446 139 G N -1.864 107.090 108.800 0.257 0.000 2.451 139 G HA2 0.575 4.534 3.960 -0.001 0.000 0.292 139 G HA3 0.575 4.534 3.960 -0.001 0.000 0.292 139 G C -2.423 172.696 174.900 0.364 0.000 1.427 139 G CA -0.368 44.898 45.100 0.277 0.000 0.792 139 G HN 1.560 nan 8.290 nan 0.000 0.498 140 Y N 0.751 121.208 120.300 0.262 0.000 2.326 140 Y HA 0.654 5.204 4.550 0.000 0.000 0.329 140 Y C 0.086 176.073 175.900 0.145 0.000 0.973 140 Y CA -0.676 57.589 58.100 0.275 0.000 1.162 140 Y CB 1.872 40.514 38.460 0.304 0.000 1.147 140 Y HN 0.869 nan 8.280 nan 0.000 0.456 141 A N 6.079 128.947 122.820 0.079 0.000 2.253 141 A HA 0.465 4.784 4.320 -0.001 0.000 0.316 141 A C -1.179 176.477 177.584 0.119 0.000 1.327 141 A CA -0.588 51.475 52.037 0.043 0.000 0.917 141 A CB 0.115 19.088 19.000 -0.046 0.000 1.162 141 A HN 0.661 nan 8.150 nan 0.000 0.535 142 L N 5.776 127.093 121.223 0.157 0.000 2.466 142 L HA 0.371 4.711 4.340 -0.001 0.000 0.248 142 L C 0.207 177.106 176.870 0.049 0.000 1.240 142 L CA -0.128 54.861 54.840 0.247 0.000 1.180 142 L CB -0.363 41.774 42.059 0.131 0.000 1.413 142 L HN 0.553 nan 8.230 nan 0.000 0.406 143 V N 1.012 120.785 119.914 -0.235 0.000 3.134 143 V HA 0.637 4.757 4.120 -0.001 0.000 0.313 143 V C -0.152 175.572 176.094 -0.617 0.000 1.069 143 V CA -0.727 61.035 62.300 -0.896 0.000 1.048 143 V CB 1.677 33.124 31.823 -0.626 0.000 1.119 143 V HN 0.784 nan 8.190 nan 0.000 0.461 144 N N 1.413 119.608 118.700 -0.841 0.000 2.635 144 N HA 0.371 5.110 4.740 -0.001 0.000 0.260 144 N C -3.297 172.082 175.510 -0.217 0.000 1.078 144 N CA -0.968 51.901 53.050 -0.302 0.000 1.012 144 N CB 2.949 41.383 38.487 -0.089 0.000 1.677 144 N HN 0.608 nan 8.380 nan 0.000 0.514 145 P HA 0.255 nan 4.420 nan 0.000 0.272 145 P C -2.709 174.580 177.300 -0.018 0.000 1.240 145 P CA -0.723 62.362 63.100 -0.026 0.000 0.791 145 P CB 0.265 31.966 31.700 0.002 0.000 0.978 146 P HA 0.109 nan 4.420 nan 0.000 0.277 146 P C 0.486 177.847 177.300 0.102 0.000 1.276 146 P CA 0.169 63.308 63.100 0.064 0.000 0.788 146 P CB 0.407 32.188 31.700 0.135 0.000 1.114 147 G N -1.493 107.373 108.800 0.109 0.000 2.659 147 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.197 147 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.197 147 G C 1.181 176.205 174.900 0.206 0.000 1.099 147 G CA 0.366 45.560 45.100 0.157 0.000 0.759 147 G HN 0.728 nan 8.290 nan 0.000 0.715 148 H N -1.419 117.627 119.070 -0.039 0.000 2.521 148 H HA 0.130 4.686 4.556 -0.000 0.000 0.286 148 H C 1.887 177.146 175.328 -0.116 0.000 1.034 148 H CA 0.878 56.869 56.048 -0.096 0.000 1.278 148 H CB -0.108 29.563 29.762 -0.151 0.000 1.386 148 H HN 0.275 nan 8.280 nan 0.000 0.567 149 H N 1.099 120.171 119.070 0.004 0.000 2.535 149 H HA 0.318 4.873 4.556 -0.001 0.000 0.273 149 H C 0.823 176.127 175.328 -0.040 0.000 0.983 149 H CA 0.536 56.520 56.048 -0.107 0.000 1.238 149 H CB -0.028 29.723 29.762 -0.018 0.000 1.412 149 H HN 0.508 nan 8.280 nan 0.000 0.562 150 A N 4.246 127.151 122.820 0.141 0.000 2.438 150 A HA 0.239 4.558 4.320 -0.001 0.000 0.280 150 A C -1.916 175.740 177.584 0.120 0.000 1.160 150 A CA -1.045 51.051 52.037 0.098 0.000 0.821 150 A CB 0.290 19.370 19.000 0.134 0.000 1.101 150 A HN 0.107 nan 8.150 nan 0.000 0.515 151 P HA 0.126 nan 4.420 nan 0.000 0.317 151 P C 0.593 177.935 177.300 0.070 0.000 1.307 151 P CA -0.205 62.901 63.100 0.009 0.000 0.749 151 P CB 0.612 32.285 31.700 -0.045 0.000 1.377 152 H N -0.310 118.714 119.070 -0.077 0.000 2.353 152 H HA -0.124 4.432 4.556 -0.001 0.000 0.298 152 H C 1.295 176.671 175.328 0.080 0.000 1.103 152 H CA 2.274 58.289 56.048 -0.054 0.000 1.293 152 H CB -0.154 29.535 29.762 -0.121 0.000 1.372 152 H HN 0.356 nan 8.280 nan 0.000 0.501 153 N N -0.306 118.367 118.700 -0.046 0.000 2.338 153 N HA 0.335 5.074 4.740 -0.001 0.000 0.251 153 N C -1.223 174.177 175.510 -0.185 0.000 1.199 153 N CA 0.438 53.432 53.050 -0.094 0.000 0.879 153 N CB 0.469 38.965 38.487 0.015 0.000 1.159 153 N HN 0.369 nan 8.380 nan 0.000 0.514 154 A N -0.102 122.440 122.820 -0.464 0.000 2.601 154 A HA 0.712 5.031 4.320 -0.001 0.000 0.291 154 A C -1.447 175.753 177.584 -0.639 0.000 1.075 154 A CA -0.581 51.193 52.037 -0.439 0.000 0.671 154 A CB 0.904 19.806 19.000 -0.163 0.000 1.277 154 A HN 0.156 nan 8.150 nan 0.000 0.417 155 A N 0.766 123.465 122.820 -0.201 0.000 2.304 155 A HA 0.880 5.199 4.320 -0.001 0.000 0.301 155 A C -0.207 177.352 177.584 -0.042 0.000 1.132 155 A CA -0.098 51.906 52.037 -0.055 0.000 0.819 155 A CB 0.765 19.789 19.000 0.041 0.000 1.094 155 A HN 1.859 nan 8.150 nan 0.000 0.492 156 M N 1.404 121.003 119.600 -0.002 0.000 2.523 156 M HA 0.488 4.967 4.480 -0.001 0.000 0.287 156 M C 0.240 176.557 176.300 0.029 0.000 1.160 156 M CA 0.713 56.014 55.300 0.001 0.000 0.902 156 M CB 1.656 34.247 32.600 -0.014 0.000 1.752 156 M HN 2.044 nan 8.290 nan 0.000 0.504 157 G N 3.592 112.324 108.800 -0.114 0.000 2.393 157 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.299 157 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.299 157 G C -0.155 174.555 174.900 -0.317 0.000 0.990 157 G CA 0.747 45.588 45.100 -0.431 0.000 1.118 157 G HN 1.286 nan 8.290 nan 0.000 0.513 158 F N -4.139 115.847 119.950 0.061 0.000 2.748 158 F HA -0.255 4.271 4.527 -0.000 0.000 0.370 158 F C 1.477 177.312 175.800 0.058 0.000 0.620 158 F CA -0.241 57.789 58.000 0.050 0.000 1.233 158 F CB -2.229 36.820 39.000 0.082 0.000 1.708 158 F HN 0.582 nan 8.300 nan 0.000 0.298 159 C N 2.289 121.720 119.300 0.218 0.000 2.285 159 C HA 0.558 5.017 4.460 -0.001 0.000 0.335 159 C C 2.067 177.077 174.990 0.034 0.000 1.267 159 C CA -0.949 58.158 59.018 0.149 0.000 1.762 159 C CB 0.262 28.122 27.740 0.201 0.000 2.365 159 C HN 0.217 nan 8.230 nan 0.000 0.527 160 I N 0.974 121.499 120.570 -0.075 0.000 2.385 160 I HA 0.192 4.362 4.170 -0.001 0.000 0.244 160 I C 0.554 176.414 176.117 -0.429 0.000 1.089 160 I CA 1.220 62.320 61.300 -0.334 0.000 1.410 160 I CB -0.616 37.025 38.000 -0.598 0.000 1.117 160 I HN 0.489 nan 8.210 nan 0.000 0.429 161 F N 0.254 120.238 119.950 0.057 0.000 2.577 161 F HA 0.357 4.883 4.527 -0.001 0.000 0.318 161 F C 0.757 176.706 175.800 0.249 0.000 1.065 161 F CA -1.045 57.008 58.000 0.087 0.000 0.929 161 F CB 1.169 40.228 39.000 0.100 0.000 1.237 161 F HN -0.144 nan 8.300 nan 0.000 0.468 162 N N 2.455 121.592 118.700 0.729 0.000 2.482 162 N HA 0.037 4.777 4.740 -0.001 0.000 0.242 162 N C 0.367 176.041 175.510 0.274 0.000 1.100 162 N CA 0.104 53.377 53.050 0.371 0.000 0.946 162 N CB 0.177 38.812 38.487 0.248 0.000 1.227 162 N HN 0.624 nan 8.380 nan 0.000 0.508 163 N N 1.303 120.121 118.700 0.197 0.000 2.104 163 N HA -0.170 4.570 4.740 -0.001 0.000 0.190 163 N C 1.566 177.126 175.510 0.083 0.000 1.024 163 N CA 1.943 55.065 53.050 0.120 0.000 0.853 163 N CB -0.349 38.165 38.487 0.044 0.000 1.008 163 N HN 0.634 nan 8.380 nan 0.000 0.424 164 T N -1.984 112.613 114.554 0.073 0.000 2.904 164 T HA 0.072 4.421 4.350 -0.001 0.000 0.267 164 T C 2.129 176.910 174.700 0.136 0.000 1.059 164 T CA 1.039 63.168 62.100 0.047 0.000 1.137 164 T CB -0.296 68.570 68.868 -0.002 0.000 0.879 164 T HN -0.013 nan 8.240 nan 0.000 0.467 165 S N 1.105 116.949 115.700 0.241 0.000 2.368 165 S HA -0.006 4.463 4.470 -0.001 0.000 0.224 165 S C 2.229 177.035 174.600 0.345 0.000 1.029 165 S CA 0.950 59.422 58.200 0.453 0.000 0.988 165 S CB -0.539 62.872 63.200 0.351 0.000 0.838 165 S HN 0.394 nan 8.310 nan 0.000 0.462 166 V N 2.299 122.325 119.914 0.188 0.000 2.287 166 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 166 V C 2.699 178.888 176.094 0.159 0.000 1.053 166 V CA 1.829 64.215 62.300 0.142 0.000 1.027 166 V CB -1.307 30.570 31.823 0.090 0.000 0.646 166 V HN 0.541 nan 8.190 nan 0.000 0.447 167 A N 0.018 122.905 122.820 0.111 0.000 1.883 167 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 167 A C 2.431 180.096 177.584 0.135 0.000 1.186 167 A CA 2.455 54.542 52.037 0.083 0.000 0.624 167 A CB -0.914 18.093 19.000 0.012 0.000 0.822 167 A HN 0.608 nan 8.150 nan 0.000 0.444 168 A N -0.631 122.255 122.820 0.110 0.000 1.902 168 A HA 0.137 4.456 4.320 -0.001 0.000 0.217 168 A C 2.445 180.079 177.584 0.083 0.000 1.181 168 A CA 1.933 53.974 52.037 0.007 0.000 0.623 168 A CB -1.440 17.444 19.000 -0.194 0.000 0.818 168 A HN 0.787 nan 8.150 nan 0.000 0.443 169 G N -1.624 107.364 108.800 0.313 0.000 2.440 169 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 169 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 169 G C 1.562 176.583 174.900 0.202 0.000 1.154 169 G CA 1.335 46.651 45.100 0.360 0.000 0.767 169 G HN 0.611 nan 8.290 nan 0.000 0.552 170 Y N 1.903 122.249 120.300 0.077 0.000 2.163 170 Y HA 0.054 4.604 4.550 -0.000 0.000 0.288 170 Y C 2.923 178.832 175.900 0.016 0.000 1.136 170 Y CA 1.459 59.580 58.100 0.036 0.000 1.147 170 Y CB -0.353 38.120 38.460 0.022 0.000 0.987 170 Y HN 0.245 nan 8.280 nan 0.000 0.509 171 A N 0.862 123.772 122.820 0.151 0.000 1.940 171 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 171 A C 2.303 179.851 177.584 -0.060 0.000 1.176 171 A CA 1.670 53.729 52.037 0.037 0.000 0.631 171 A CB -0.490 18.536 19.000 0.043 0.000 0.814 171 A HN 0.416 nan 8.150 nan 0.000 0.446 172 R N -0.701 119.772 120.500 -0.045 0.000 2.055 172 R HA 0.005 4.345 4.340 -0.001 0.000 0.228 172 R C 2.483 178.744 176.300 -0.064 0.000 1.143 172 R CA 1.537 57.607 56.100 -0.051 0.000 0.945 172 R CB -1.024 29.267 30.300 -0.014 0.000 0.841 172 R HN 0.508 nan 8.270 nan 0.000 0.429 173 A N 0.193 122.975 122.820 -0.064 0.000 1.930 173 A HA -0.008 4.312 4.320 -0.001 0.000 0.215 173 A C 2.300 179.786 177.584 -0.163 0.000 1.176 173 A CA 1.035 53.024 52.037 -0.079 0.000 0.632 173 A CB -0.079 18.899 19.000 -0.036 0.000 0.819 173 A HN 0.115 nan 8.150 nan 0.000 0.445 174 V N -0.604 119.118 119.914 -0.321 0.000 2.795 174 V HA 0.058 4.177 4.120 -0.001 0.000 0.243 174 V C 2.008 177.899 176.094 -0.338 0.000 1.069 174 V CA 0.984 63.023 62.300 -0.434 0.000 1.089 174 V CB -0.301 30.974 31.823 -0.914 0.000 0.756 174 V HN 0.484 nan 8.190 nan 0.000 0.471 175 L N 0.641 121.675 121.223 -0.315 0.000 2.592 175 L HA 0.378 4.718 4.340 -0.001 0.000 0.227 175 L C 1.725 178.535 176.870 -0.101 0.000 1.127 175 L CA 0.788 55.532 54.840 -0.159 0.000 0.884 175 L CB -0.447 41.560 42.059 -0.086 0.000 1.065 175 L HN 0.520 nan 8.230 nan 0.000 0.457 176 G N 0.938 109.673 108.800 -0.108 0.000 2.225 176 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.267 176 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.267 176 G C 0.320 175.180 174.900 -0.067 0.000 1.024 176 G CA 0.124 45.177 45.100 -0.077 0.000 0.784 176 G HN 0.290 nan 8.290 nan 0.000 0.507 177 M N -0.218 119.341 119.600 -0.068 0.000 2.238 177 M HA 0.229 4.708 4.480 -0.001 0.000 0.347 177 M C 1.408 177.661 176.300 -0.078 0.000 1.173 177 M CA -0.044 55.216 55.300 -0.068 0.000 1.147 177 M CB 0.594 33.157 32.600 -0.062 0.000 1.547 177 M HN 0.028 nan 8.290 nan 0.000 0.455 178 E N 2.133 122.279 120.200 -0.090 0.000 2.122 178 E HA 0.081 4.430 4.350 -0.001 0.000 0.190 178 E C 0.028 176.553 176.600 -0.126 0.000 0.977 178 E CA 1.039 57.378 56.400 -0.103 0.000 0.820 178 E CB 0.448 30.081 29.700 -0.112 0.000 0.770 178 E HN 0.572 nan 8.360 nan 0.000 0.462 179 R N -0.131 120.282 120.500 -0.144 0.000 2.574 179 R HA 0.520 4.860 4.340 -0.001 0.000 0.288 179 R C -1.125 175.147 176.300 -0.047 0.000 1.004 179 R CA -0.467 55.550 56.100 -0.138 0.000 0.895 179 R CB 2.628 32.661 30.300 -0.445 0.000 1.191 179 R HN -0.197 nan 8.270 nan 0.000 0.444 180 V N 1.463 121.389 119.914 0.020 0.000 2.709 180 V HA 0.709 4.829 4.120 -0.001 0.000 0.308 180 V C -0.533 175.562 176.094 0.002 0.000 1.062 180 V CA -0.912 61.367 62.300 -0.035 0.000 0.901 180 V CB 1.971 33.686 31.823 -0.181 0.000 1.003 180 V HN 0.918 nan 8.190 nan 0.000 0.425 181 A N 5.069 127.882 122.820 -0.012 0.000 2.317 181 A HA 0.907 5.226 4.320 -0.001 0.000 0.327 181 A C -0.779 176.717 177.584 -0.147 0.000 1.178 181 A CA -0.502 51.478 52.037 -0.095 0.000 0.817 181 A CB 0.688 19.677 19.000 -0.020 0.000 1.189 181 A HN 0.770 nan 8.150 nan 0.000 0.489 182 I N 2.899 123.369 120.570 -0.166 0.000 2.382 182 I HA 0.246 4.415 4.170 -0.001 0.000 0.285 182 I C -0.835 175.219 176.117 -0.104 0.000 1.007 182 I CA -0.567 60.648 61.300 -0.140 0.000 1.142 182 I CB 1.577 39.517 38.000 -0.099 0.000 1.289 182 I HN 0.558 nan 8.210 nan 0.000 0.453 183 L N 7.088 128.226 121.223 -0.142 0.000 2.265 183 L HA 0.500 4.840 4.340 -0.001 0.000 0.289 183 L C -0.689 176.094 176.870 -0.145 0.000 1.033 183 L CA 0.187 54.971 54.840 -0.094 0.000 0.814 183 L CB 0.982 42.991 42.059 -0.084 0.000 1.203 183 L HN 0.434 nan 8.230 nan 0.000 0.423 184 D N 4.581 124.983 120.400 0.003 0.000 2.453 184 D HA 0.224 4.864 4.640 -0.001 0.000 0.238 184 D C -0.330 176.099 176.300 0.215 0.000 1.088 184 D CA -0.482 53.528 54.000 0.018 0.000 0.854 184 D CB 0.691 41.566 40.800 0.124 0.000 1.076 184 D HN 0.602 nan 8.370 nan 0.000 0.533 185 W N 3.600 124.979 121.300 0.132 0.000 2.991 185 W HA 0.366 5.025 4.660 -0.002 0.000 0.391 185 W C 0.003 176.632 176.519 0.183 0.000 1.054 185 W CA -0.930 56.547 57.345 0.220 0.000 1.856 185 W CB -0.789 28.836 29.460 0.274 0.000 1.132 185 W HN 0.143 nan 8.180 nan 0.000 0.601 186 D N 1.616 122.195 120.400 0.298 0.000 2.506 186 D HA -0.140 4.500 4.640 -0.001 0.000 0.234 186 D C 1.282 177.789 176.300 0.345 0.000 1.143 186 D CA 0.436 54.561 54.000 0.208 0.000 0.871 186 D CB 2.185 42.920 40.800 -0.108 0.000 1.190 186 D HN 0.059 nan 8.370 nan 0.000 0.459 187 V N 4.132 124.189 119.914 0.238 0.000 3.078 187 V HA -0.142 3.978 4.120 -0.001 0.000 0.265 187 V C 0.288 176.463 176.094 0.136 0.000 1.122 187 V CA 1.366 63.770 62.300 0.173 0.000 1.141 187 V CB -0.639 31.198 31.823 0.024 0.000 0.735 187 V HN 0.498 nan 8.190 nan 0.000 0.498 188 H N -0.723 118.660 119.070 0.521 0.000 2.483 188 H HA 0.366 4.922 4.556 -0.001 0.000 0.338 188 H C 0.226 175.809 175.328 0.424 0.000 1.152 188 H CA -0.548 55.809 56.048 0.516 0.000 1.264 188 H CB 0.514 30.663 29.762 0.645 0.000 1.510 188 H HN 0.348 nan 8.280 nan 0.000 0.530 189 H N 1.392 120.557 119.070 0.158 0.000 2.964 189 H HA 0.003 4.559 4.556 -0.001 0.000 0.328 189 H C 0.446 175.678 175.328 -0.160 0.000 1.030 189 H CA -0.260 55.618 56.048 -0.283 0.000 1.445 189 H CB 0.527 29.931 29.762 -0.596 0.000 1.449 189 H HN 0.950 nan 8.280 nan 0.000 0.581 190 G N 5.376 113.887 108.800 -0.481 0.000 3.197 190 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.257 190 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.257 190 G C 1.216 175.696 174.900 -0.701 0.000 0.835 190 G CA -0.250 44.545 45.100 -0.508 0.000 2.001 190 G HN 0.862 nan 8.290 nan 0.000 0.625 191 N N 0.900 119.092 118.700 -0.846 0.000 2.223 191 N HA -0.113 4.626 4.740 -0.001 0.000 0.185 191 N C 2.061 177.451 175.510 -0.199 0.000 1.016 191 N CA 1.353 54.088 53.050 -0.525 0.000 0.863 191 N CB -0.422 37.933 38.487 -0.221 0.000 0.983 191 N HN 0.280 nan 8.380 nan 0.000 0.429 192 G N 0.726 109.442 108.800 -0.141 0.000 2.414 192 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.215 192 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.215 192 G C 1.520 176.414 174.900 -0.011 0.000 1.188 192 G CA 1.528 46.603 45.100 -0.042 0.000 0.783 192 G HN 0.399 nan 8.290 nan 0.000 0.537 193 T N 0.474 115.044 114.554 0.026 0.000 2.746 193 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 193 T C 2.273 177.100 174.700 0.213 0.000 1.039 193 T CA 1.594 63.785 62.100 0.152 0.000 1.142 193 T CB -0.282 68.697 68.868 0.185 0.000 0.866 193 T HN 0.464 nan 8.240 nan 0.000 0.444 194 Q N 0.995 120.883 119.800 0.147 0.000 2.077 194 Q HA -0.247 4.093 4.340 -0.001 0.000 0.206 194 Q C 2.076 178.252 176.000 0.292 0.000 0.989 194 Q CA 2.273 58.238 55.803 0.269 0.000 0.853 194 Q CB -0.302 28.592 28.738 0.260 0.000 0.907 194 Q HN 0.583 nan 8.270 nan 0.000 0.418 195 D N -0.314 120.135 120.400 0.082 0.000 2.097 195 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 195 D C 1.850 178.145 176.300 -0.009 0.000 0.989 195 D CA 1.676 55.664 54.000 -0.019 0.000 0.827 195 D CB -0.149 40.593 40.800 -0.097 0.000 0.966 195 D HN 0.420 nan 8.370 nan 0.000 0.456 196 I N -0.853 119.639 120.570 -0.129 0.000 2.226 196 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 196 I C 1.119 176.912 176.117 -0.540 0.000 1.100 196 I CA 1.020 62.050 61.300 -0.450 0.000 1.374 196 I CB -0.185 37.378 38.000 -0.728 0.000 1.057 196 I HN 0.241 nan 8.210 nan 0.000 0.413 197 W N -0.802 120.563 121.300 0.109 0.000 3.123 197 W HA 0.103 4.763 4.660 -0.001 0.000 0.383 197 W C 1.921 178.531 176.519 0.153 0.000 1.102 197 W CA -0.764 56.637 57.345 0.093 0.000 1.865 197 W CB -0.334 29.159 29.460 0.054 0.000 1.111 197 W HN 0.173 nan 8.180 nan 0.000 0.621 198 W N 2.035 123.408 121.300 0.121 0.000 2.290 198 W HA -0.288 4.372 4.660 -0.001 0.000 0.318 198 W C 0.872 177.457 176.519 0.111 0.000 1.248 198 W CA 1.759 59.163 57.345 0.100 0.000 1.263 198 W CB -0.243 29.242 29.460 0.042 0.000 1.147 198 W HN -0.108 nan 8.180 nan 0.000 0.494 199 N N 0.317 119.136 118.700 0.198 0.000 2.270 199 N HA -0.031 4.708 4.740 -0.001 0.000 0.198 199 N C -0.839 174.718 175.510 0.079 0.000 1.117 199 N CA 0.605 53.703 53.050 0.080 0.000 0.845 199 N CB -0.014 38.545 38.487 0.122 0.000 0.980 199 N HN 0.025 nan 8.380 nan 0.000 0.486 200 D N 0.947 121.428 120.400 0.134 0.000 2.471 200 D HA 0.198 4.838 4.640 -0.001 0.000 0.245 200 D C -1.852 174.483 176.300 0.059 0.000 1.116 200 D CA -1.949 52.137 54.000 0.144 0.000 0.853 200 D CB 2.347 43.349 40.800 0.336 0.000 1.123 200 D HN -0.032 nan 8.370 nan 0.000 0.540 201 P HA -0.046 nan 4.420 nan 0.000 0.241 201 P C 1.001 178.149 177.300 -0.255 0.000 1.191 201 P CA 0.344 63.210 63.100 -0.390 0.000 0.771 201 P CB 0.232 31.551 31.700 -0.634 0.000 0.929 202 S N -1.306 114.333 115.700 -0.101 0.000 2.522 202 S HA 0.058 4.527 4.470 -0.001 0.000 0.227 202 S C 0.726 175.274 174.600 -0.087 0.000 0.986 202 S CA 0.040 58.202 58.200 -0.063 0.000 0.929 202 S CB -0.693 62.470 63.200 -0.062 0.000 0.769 202 S HN -0.075 nan 8.310 nan 0.000 0.529 203 V N 2.506 122.302 119.914 -0.196 0.000 2.443 203 V HA 0.499 4.618 4.120 -0.001 0.000 0.293 203 V C -0.672 175.232 176.094 -0.318 0.000 1.021 203 V CA -0.909 61.133 62.300 -0.431 0.000 0.848 203 V CB 1.446 32.518 31.823 -1.252 0.000 0.998 203 V HN 0.475 nan 8.190 nan 0.000 0.424 204 L N 6.252 127.195 121.223 -0.467 0.000 2.281 204 L HA 0.667 5.007 4.340 -0.001 0.000 0.285 204 L C 0.541 177.241 176.870 -0.283 0.000 1.074 204 L CA 0.618 55.125 54.840 -0.556 0.000 0.817 204 L CB 1.337 42.667 42.059 -1.214 0.000 1.168 204 L HN 0.832 nan 8.230 nan 0.000 0.434 205 T N 3.872 118.355 114.554 -0.117 0.000 2.771 205 T HA 0.702 5.052 4.350 -0.001 0.000 0.281 205 T C -0.170 174.543 174.700 0.021 0.000 0.982 205 T CA -0.471 61.623 62.100 -0.010 0.000 0.978 205 T CB 0.615 69.560 68.868 0.129 0.000 0.930 205 T HN 0.475 nan 8.240 nan 0.000 0.447 206 I N 2.486 123.075 120.570 0.031 0.000 2.436 206 I HA 0.498 4.667 4.170 -0.001 0.000 0.289 206 I C -0.001 176.206 176.117 0.150 0.000 1.010 206 I CA -0.820 60.523 61.300 0.073 0.000 1.098 206 I CB 2.164 40.185 38.000 0.036 0.000 1.266 206 I HN 0.660 nan 8.210 nan 0.000 0.434 207 S N 7.266 123.109 115.700 0.239 0.000 2.552 207 S HA 0.670 5.140 4.470 -0.001 0.000 0.314 207 S C -0.765 174.033 174.600 0.330 0.000 1.099 207 S CA -0.600 57.825 58.200 0.375 0.000 1.070 207 S CB 0.686 64.218 63.200 0.553 0.000 0.998 207 S HN 0.454 nan 8.310 nan 0.000 0.474 208 L N 7.146 128.548 121.223 0.297 0.000 2.289 208 L HA 0.675 5.014 4.340 -0.001 0.000 0.285 208 L C 0.069 177.093 176.870 0.256 0.000 1.049 208 L CA -0.728 54.182 54.840 0.117 0.000 0.804 208 L CB 0.889 43.059 42.059 0.184 0.000 1.195 208 L HN 0.755 nan 8.230 nan 0.000 0.428 209 H N 1.286 120.471 119.070 0.192 0.000 3.037 209 H HA 0.164 4.720 4.556 -0.001 0.000 0.336 209 H C -1.480 173.952 175.328 0.173 0.000 1.323 209 H CA -1.005 55.184 56.048 0.236 0.000 1.159 209 H CB 1.582 31.515 29.762 0.285 0.000 1.882 209 H HN 0.584 nan 8.280 nan 0.000 0.535 210 Q N 1.740 121.729 119.800 0.314 0.000 2.274 210 Q HA -0.031 4.308 4.340 -0.001 0.000 0.280 210 Q C -0.465 175.718 176.000 0.305 0.000 1.047 210 Q CA -0.137 55.813 55.803 0.244 0.000 0.907 210 Q CB 0.267 29.134 28.738 0.216 0.000 1.171 210 Q HN 0.575 nan 8.270 nan 0.000 0.381 211 H N 5.580 124.719 119.070 0.115 0.000 3.157 211 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 211 H C 0.346 175.702 175.328 0.046 0.000 0.961 211 H CA 1.236 57.325 56.048 0.069 0.000 1.428 211 H CB -0.136 29.623 29.762 -0.004 0.000 1.459 211 H HN 0.805 nan 8.280 nan 0.000 0.566 212 L N 3.083 124.125 121.223 -0.302 0.000 4.001 212 L HA -0.413 3.926 4.340 -0.001 0.000 0.413 212 L C 1.959 178.794 176.870 -0.059 0.000 1.185 212 L CA 0.674 55.325 54.840 -0.315 0.000 0.963 212 L CB -2.319 39.440 42.059 -0.500 0.000 1.976 212 L HN 0.652 nan 8.230 nan 0.000 0.939 213 C N -0.140 119.222 119.300 0.104 0.000 2.508 213 C HA 0.138 4.597 4.460 -0.001 0.000 0.280 213 C C 0.939 176.127 174.990 0.330 0.000 1.262 213 C CA 1.279 60.444 59.018 0.245 0.000 1.706 213 C CB 0.043 27.999 27.740 0.360 0.000 2.078 213 C HN 0.519 nan 8.230 nan 0.000 0.480 214 F N 0.589 120.658 119.950 0.198 0.000 2.654 214 F HA 0.533 5.060 4.527 -0.000 0.000 0.314 214 F C -2.793 173.038 175.800 0.051 0.000 1.116 214 F CA -1.690 56.322 58.000 0.020 0.000 1.017 214 F CB 1.040 39.933 39.000 -0.178 0.000 1.285 214 F HN -0.010 nan 8.300 nan 0.000 0.448 215 P HA 0.302 nan 4.420 nan 0.000 0.274 215 P C -2.681 174.260 177.300 -0.598 0.000 1.246 215 P CA -1.168 61.057 63.100 -1.459 0.000 0.795 215 P CB 0.121 31.155 31.700 -1.109 0.000 1.006 216 P HA -0.031 nan 4.420 nan 0.000 0.269 216 P C -0.009 177.178 177.300 -0.189 0.000 1.215 216 P CA 0.642 63.605 63.100 -0.229 0.000 0.780 216 P CB -0.036 31.575 31.700 -0.149 0.000 0.898 217 D N -0.940 119.384 120.400 -0.127 0.000 2.772 217 D HA -0.172 4.467 4.640 -0.001 0.000 0.233 217 D C -0.888 175.433 176.300 0.036 0.000 1.143 217 D CA 1.258 55.269 54.000 0.019 0.000 0.700 217 D CB -1.377 39.444 40.800 0.035 0.000 1.076 217 D HN 0.342 nan 8.370 nan 0.000 0.430 218 S N -1.470 114.125 115.700 -0.176 0.000 2.546 218 S HA 0.637 5.107 4.470 -0.001 0.000 0.274 218 S C 0.640 174.926 174.600 -0.524 0.000 1.121 218 S CA 0.578 58.663 58.200 -0.191 0.000 0.887 218 S CB 1.612 64.751 63.200 -0.101 0.000 1.094 218 S HN 1.129 nan 8.310 nan 0.000 0.474 219 G N 1.921 110.252 108.800 -0.782 0.000 2.134 219 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.209 219 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.209 219 G C -0.329 174.441 174.900 -0.216 0.000 0.993 219 G CA -0.028 44.407 45.100 -1.109 0.000 0.669 219 G HN 0.665 nan 8.290 nan 0.000 0.519 220 Y N 1.317 121.612 120.300 -0.010 0.000 2.480 220 Y HA 0.287 4.837 4.550 -0.000 0.000 0.338 220 Y C 2.153 178.090 175.900 0.060 0.000 1.220 220 Y CA 0.652 58.800 58.100 0.080 0.000 1.430 220 Y CB 0.846 39.352 38.460 0.078 0.000 1.311 220 Y HN 0.298 nan 8.280 nan 0.000 0.575 221 S N -1.327 114.487 115.700 0.189 0.000 2.469 221 S HA -0.182 4.288 4.470 -0.001 0.000 0.238 221 S C 1.562 176.223 174.600 0.102 0.000 0.998 221 S CA 1.201 59.462 58.200 0.102 0.000 0.957 221 S CB -0.964 62.258 63.200 0.036 0.000 0.764 221 S HN 0.870 nan 8.310 nan 0.000 0.514 222 T N -0.473 114.169 114.554 0.146 0.000 3.085 222 T HA 0.103 4.453 4.350 -0.001 0.000 0.263 222 T C 0.371 175.172 174.700 0.168 0.000 1.127 222 T CA 0.138 62.309 62.100 0.118 0.000 1.103 222 T CB -0.553 68.366 68.868 0.084 0.000 0.921 222 T HN 0.530 nan 8.240 nan 0.000 0.510 223 E N 1.511 121.856 120.200 0.242 0.000 1.932 223 E HA 0.259 4.609 4.350 -0.001 0.000 0.275 223 E C 0.567 177.304 176.600 0.229 0.000 1.159 223 E CA -0.216 56.432 56.400 0.412 0.000 0.905 223 E CB 0.413 30.380 29.700 0.446 0.000 1.059 223 E HN 0.412 nan 8.360 nan 0.000 0.400 224 R N 2.108 122.578 120.500 -0.050 0.000 2.508 224 R HA 0.213 4.553 4.340 -0.001 0.000 0.300 224 R C 0.523 176.414 176.300 -0.681 0.000 0.970 224 R CA 0.044 55.939 56.100 -0.343 0.000 1.102 224 R CB 1.095 31.141 30.300 -0.424 0.000 1.246 224 R HN 0.643 nan 8.270 nan 0.000 0.539 225 G N 0.799 108.782 108.800 -1.361 0.000 2.685 225 G HA2 0.066 4.026 3.960 -0.001 0.000 0.387 225 G HA3 0.066 4.026 3.960 -0.001 0.000 0.387 225 G C -1.117 173.026 174.900 -1.262 0.000 1.324 225 G CA -0.554 43.525 45.100 -1.701 0.000 0.878 225 G HN 0.373 nan 8.290 nan 0.000 0.527 226 A N -1.155 121.147 122.820 -0.863 0.000 2.587 226 A HA 1.188 5.507 4.320 -0.001 0.000 0.293 226 A C 1.344 178.890 177.584 -0.063 0.000 1.087 226 A CA 1.340 53.226 52.037 -0.253 0.000 0.692 226 A CB 0.991 19.978 19.000 -0.022 0.000 1.291 226 A HN 3.068 nan 8.150 nan 0.000 0.407 227 G N 1.281 110.091 108.800 0.016 0.000 2.596 227 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.295 227 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.295 227 G C 0.726 175.660 174.900 0.056 0.000 1.240 227 G CA 0.741 45.859 45.100 0.030 0.000 0.985 227 G HN 1.023 nan 8.290 nan 0.000 0.555 228 N N 1.761 120.490 118.700 0.049 0.000 2.364 228 N HA -0.051 4.689 4.740 -0.001 0.000 0.183 228 N C 2.155 177.720 175.510 0.092 0.000 1.022 228 N CA 1.707 54.793 53.050 0.060 0.000 0.883 228 N CB -0.567 37.934 38.487 0.024 0.000 0.965 228 N HN 0.852 nan 8.380 nan 0.000 0.438 229 G N -1.059 107.782 108.800 0.069 0.000 2.985 229 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.209 229 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.209 229 G C 0.286 175.248 174.900 0.102 0.000 1.165 229 G CA -0.177 44.976 45.100 0.089 0.000 0.776 229 G HN 0.393 nan 8.290 nan 0.000 0.541 230 H N -0.225 118.831 119.070 -0.023 0.000 3.004 230 H HA 0.384 4.940 4.556 -0.001 0.000 0.316 230 H C 1.480 176.747 175.328 -0.102 0.000 1.014 230 H CA 1.167 57.141 56.048 -0.125 0.000 1.454 230 H CB 0.506 30.204 29.762 -0.107 0.000 1.472 230 H HN 0.179 nan 8.280 nan 0.000 0.571 231 G N 3.488 111.842 108.800 -0.743 0.000 2.175 231 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.244 231 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.244 231 G C 0.209 174.622 174.900 -0.813 0.000 0.982 231 G CA 0.441 45.116 45.100 -0.708 0.000 0.641 231 G HN 0.647 nan 8.290 nan 0.000 0.527 232 Y N 0.455 120.611 120.300 -0.239 0.000 2.612 232 Y HA 0.447 4.997 4.550 -0.001 0.000 0.250 232 Y C 0.883 176.669 175.900 -0.189 0.000 1.175 232 Y CA -0.311 57.664 58.100 -0.208 0.000 1.205 232 Y CB 0.569 38.934 38.460 -0.157 0.000 1.201 232 Y HN 0.279 nan 8.280 nan 0.000 0.532 233 N N 1.005 119.633 118.700 -0.120 0.000 2.342 233 N HA 0.545 5.284 4.740 -0.001 0.000 0.293 233 N C -1.506 173.978 175.510 -0.044 0.000 1.026 233 N CA -0.289 52.745 53.050 -0.026 0.000 0.857 233 N CB 0.913 39.436 38.487 0.059 0.000 1.256 233 N HN 0.069 nan 8.380 nan 0.000 0.484 234 I N 2.458 123.036 120.570 0.013 0.000 2.439 234 I HA 0.292 4.462 4.170 -0.001 0.000 0.283 234 I C -0.648 175.530 176.117 0.102 0.000 1.023 234 I CA -0.657 60.651 61.300 0.013 0.000 1.100 234 I CB 1.436 39.414 38.000 -0.037 0.000 1.238 234 I HN 0.517 nan 8.210 nan 0.000 0.445 235 N N 5.037 123.814 118.700 0.128 0.000 2.438 235 N HA 0.470 5.209 4.740 -0.001 0.000 0.282 235 N C -0.829 174.693 175.510 0.021 0.000 1.037 235 N CA -0.548 52.621 53.050 0.198 0.000 0.942 235 N CB 2.304 40.947 38.487 0.261 0.000 1.136 235 N HN 0.206 nan 8.380 nan 0.000 0.481 236 V N 3.589 123.432 119.914 -0.119 0.000 2.260 236 V HA 0.283 4.403 4.120 -0.001 0.000 0.263 236 V C -2.186 173.631 176.094 -0.461 0.000 1.036 236 V CA -1.554 60.618 62.300 -0.214 0.000 0.874 236 V CB 0.328 32.061 31.823 -0.149 0.000 1.116 236 V HN 0.607 nan 8.190 nan 0.000 0.454 237 P HA 0.306 nan 4.420 nan 0.000 0.271 237 P C -0.729 176.431 177.300 -0.235 0.000 1.216 237 P CA 0.158 63.035 63.100 -0.371 0.000 0.771 237 P CB 1.458 33.075 31.700 -0.139 0.000 0.864 238 L N 4.921 126.055 121.223 -0.147 0.000 2.370 238 L HA 0.524 4.864 4.340 -0.001 0.000 0.266 238 L C -2.268 174.602 176.870 0.000 0.000 1.002 238 L CA -2.886 51.885 54.840 -0.115 0.000 0.818 238 L CB 2.502 44.435 42.059 -0.210 0.000 1.325 238 L HN 0.165 nan 8.230 nan 0.000 0.418 239 P HA 0.190 nan 4.420 nan 0.000 0.271 239 P C -2.620 174.722 177.300 0.070 0.000 1.218 239 P CA -1.546 61.584 63.100 0.049 0.000 0.780 239 P CB -0.190 31.524 31.700 0.023 0.000 0.901 240 P HA -0.019 nan 4.420 nan 0.000 0.264 240 P C 1.130 178.471 177.300 0.070 0.000 1.179 240 P CA 1.664 64.818 63.100 0.091 0.000 0.763 240 P CB -0.152 31.598 31.700 0.084 0.000 0.806 241 G N 1.234 110.079 108.800 0.075 0.000 2.195 241 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.246 241 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.246 241 G C 0.352 175.286 174.900 0.057 0.000 0.984 241 G CA -0.013 45.119 45.100 0.053 0.000 0.633 241 G HN 0.585 nan 8.290 nan 0.000 0.525 242 S N 0.951 116.701 115.700 0.084 0.000 2.537 242 S HA 0.531 5.001 4.470 -0.001 0.000 0.286 242 S C 0.977 175.680 174.600 0.171 0.000 1.299 242 S CA 0.538 58.798 58.200 0.100 0.000 1.067 242 S CB 1.326 64.570 63.200 0.074 0.000 0.864 242 S HN 1.263 nan 8.310 nan 0.000 0.494 243 G N 2.159 111.035 108.800 0.128 0.000 3.212 243 G HA2 0.280 4.240 3.960 -0.001 0.000 0.188 243 G HA3 0.280 4.240 3.960 -0.001 0.000 0.188 243 G C 0.563 175.517 174.900 0.090 0.000 1.254 243 G CA -0.585 44.559 45.100 0.074 0.000 0.957 243 G HN 0.529 nan 8.290 nan 0.000 0.596 244 N N 0.324 119.010 118.700 -0.024 0.000 2.060 244 N HA -0.197 4.543 4.740 -0.001 0.000 0.195 244 N C 2.408 177.936 175.510 0.030 0.000 1.028 244 N CA 1.823 54.849 53.050 -0.040 0.000 0.861 244 N CB -0.646 37.804 38.487 -0.062 0.000 1.029 244 N HN 0.505 nan 8.380 nan 0.000 0.428 245 A N 0.842 123.676 122.820 0.023 0.000 1.865 245 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 245 A C 2.400 180.012 177.584 0.046 0.000 1.191 245 A CA 2.329 54.380 52.037 0.023 0.000 0.623 245 A CB -1.086 17.908 19.000 -0.011 0.000 0.826 245 A HN 0.352 nan 8.150 nan 0.000 0.444 246 A N -1.584 121.259 122.820 0.038 0.000 1.877 246 A HA -0.115 4.204 4.320 -0.001 0.000 0.216 246 A C 2.127 179.710 177.584 -0.002 0.000 1.186 246 A CA 1.682 53.724 52.037 0.008 0.000 0.620 246 A CB -0.895 18.082 19.000 -0.039 0.000 0.822 246 A HN 0.589 nan 8.150 nan 0.000 0.443 247 Y N -0.017 120.265 120.300 -0.031 0.000 2.181 247 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 247 Y C 2.243 178.123 175.900 -0.033 0.000 1.146 247 Y CA 1.770 59.837 58.100 -0.056 0.000 1.164 247 Y CB -0.258 38.110 38.460 -0.155 0.000 0.982 247 Y HN 0.190 nan 8.280 nan 0.000 0.515 248 L N -1.576 119.718 121.223 0.117 0.000 2.156 248 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 248 L C 2.246 179.167 176.870 0.085 0.000 1.095 248 L CA 1.313 56.200 54.840 0.077 0.000 0.770 248 L CB -0.547 41.545 42.059 0.055 0.000 0.914 248 L HN 0.263 nan 8.230 nan 0.000 0.439 249 H N 0.283 119.350 119.070 -0.005 0.000 2.353 249 H HA -0.118 4.438 4.556 -0.001 0.000 0.300 249 H C 2.183 177.495 175.328 -0.027 0.000 1.090 249 H CA 1.474 57.512 56.048 -0.017 0.000 1.327 249 H CB 0.107 29.852 29.762 -0.030 0.000 1.383 249 H HN 0.265 nan 8.280 nan 0.000 0.508 250 A N 0.728 123.546 122.820 -0.004 0.000 1.892 250 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 250 A C 2.331 179.887 177.584 -0.047 0.000 1.188 250 A CA 2.059 54.052 52.037 -0.073 0.000 0.631 250 A CB -0.560 18.365 19.000 -0.124 0.000 0.822 250 A HN 0.402 nan 8.150 nan 0.000 0.447 251 M N -0.097 119.509 119.600 0.010 0.000 2.065 251 M HA -0.147 4.333 4.480 -0.001 0.000 0.259 251 M C 1.588 177.891 176.300 0.003 0.000 1.069 251 M CA 1.714 57.042 55.300 0.047 0.000 1.110 251 M CB -1.648 31.002 32.600 0.082 0.000 1.328 251 M HN 0.362 nan 8.290 nan 0.000 0.405 252 D N -0.268 120.111 120.400 -0.035 0.000 2.149 252 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 252 D C 2.237 178.468 176.300 -0.115 0.000 0.972 252 D CA 0.970 54.936 54.000 -0.057 0.000 0.835 252 D CB -0.116 40.656 40.800 -0.047 0.000 0.966 252 D HN 0.356 nan 8.370 nan 0.000 0.476 253 Q N -0.231 119.434 119.800 -0.225 0.000 2.302 253 Q HA 0.070 4.410 4.340 -0.001 0.000 0.202 253 Q C 1.980 177.901 176.000 -0.133 0.000 0.936 253 Q CA 0.425 56.084 55.803 -0.239 0.000 0.886 253 Q CB 0.748 29.215 28.738 -0.452 0.000 0.986 253 Q HN 0.223 nan 8.270 nan 0.000 0.487 254 V N -1.231 118.622 119.914 -0.101 0.000 3.054 254 V HA 0.001 4.121 4.120 -0.001 0.000 0.227 254 V C 2.086 178.166 176.094 -0.024 0.000 1.252 254 V CA 0.392 62.656 62.300 -0.060 0.000 1.279 254 V CB -0.111 31.675 31.823 -0.061 0.000 1.118 254 V HN -0.090 nan 8.190 nan 0.000 0.504 255 V N 0.894 120.808 119.914 -0.000 0.000 2.237 255 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 255 V C 2.353 178.472 176.094 0.042 0.000 1.046 255 V CA 2.392 64.715 62.300 0.038 0.000 1.007 255 V CB -0.602 31.276 31.823 0.092 0.000 0.638 255 V HN 0.408 nan 8.190 nan 0.000 0.445 256 L N -0.307 120.943 121.223 0.044 0.000 2.046 256 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 256 L C 0.071 176.962 176.870 0.036 0.000 1.077 256 L CA 1.621 56.490 54.840 0.050 0.000 0.747 256 L CB -1.979 40.111 42.059 0.052 0.000 0.896 256 L HN 0.351 nan 8.230 nan 0.000 0.432 257 P HA -0.184 nan 4.420 nan 0.000 0.215 257 P C 1.536 178.851 177.300 0.024 0.000 1.153 257 P CA 1.826 64.934 63.100 0.013 0.000 0.853 257 P CB -0.009 31.686 31.700 -0.009 0.000 0.788 258 A N -0.442 122.388 122.820 0.017 0.000 1.865 258 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 258 A C 2.229 179.856 177.584 0.072 0.000 1.191 258 A CA 1.655 53.704 52.037 0.020 0.000 0.623 258 A CB -1.716 17.277 19.000 -0.012 0.000 0.826 258 A HN 0.108 nan 8.150 nan 0.000 0.444 259 L N -1.266 119.999 121.223 0.071 0.000 2.046 259 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 259 L C 2.879 179.821 176.870 0.120 0.000 1.077 259 L CA 1.597 56.504 54.840 0.111 0.000 0.747 259 L CB -0.508 41.599 42.059 0.080 0.000 0.896 259 L HN 0.351 nan 8.230 nan 0.000 0.432 260 R N -0.140 120.408 120.500 0.080 0.000 2.096 260 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 260 R C 2.443 178.782 176.300 0.066 0.000 1.127 260 R CA 1.276 57.413 56.100 0.061 0.000 0.968 260 R CB -0.420 29.906 30.300 0.043 0.000 0.861 260 R HN 0.363 nan 8.270 nan 0.000 0.440 261 A N 0.082 122.952 122.820 0.083 0.000 1.898 261 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 261 A C 1.917 179.584 177.584 0.139 0.000 1.181 261 A CA 0.995 53.085 52.037 0.088 0.000 0.620 261 A CB -0.570 18.474 19.000 0.074 0.000 0.819 261 A HN 0.401 nan 8.150 nan 0.000 0.442 262 Y N -0.196 120.127 120.300 0.039 0.000 2.263 262 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 262 Y C 0.473 176.387 175.900 0.024 0.000 1.130 262 Y CA 1.315 59.451 58.100 0.060 0.000 1.179 262 Y CB 0.209 38.709 38.460 0.066 0.000 0.998 262 Y HN 0.365 nan 8.280 nan 0.000 0.532 263 R N -0.160 120.334 120.500 -0.010 0.000 3.152 263 R HA -0.146 4.193 4.340 -0.001 0.000 0.252 263 R C -2.804 173.379 176.300 -0.195 0.000 0.930 263 R CA 0.615 56.659 56.100 -0.093 0.000 0.642 263 R CB -2.584 27.649 30.300 -0.111 0.000 1.205 263 R HN 0.339 nan 8.270 nan 0.000 0.452 264 P HA 0.067 nan 4.420 nan 0.000 0.274 264 P C 0.239 177.506 177.300 -0.054 0.000 1.237 264 P CA -0.140 62.933 63.100 -0.046 0.000 0.793 264 P CB 0.659 32.446 31.700 0.146 0.000 0.977 265 Q N -0.103 119.658 119.800 -0.065 0.000 2.451 265 Q HA 0.226 4.566 4.340 -0.001 0.000 0.206 265 Q C 0.115 176.099 176.000 -0.026 0.000 0.947 265 Q CA 0.693 56.467 55.803 -0.047 0.000 0.937 265 Q CB -0.157 28.547 28.738 -0.056 0.000 1.025 265 Q HN 0.318 nan 8.270 nan 0.000 0.511 266 L N -0.842 120.368 121.223 -0.022 0.000 2.592 266 L HA 0.473 4.813 4.340 -0.001 0.000 0.258 266 L C -1.890 174.957 176.870 -0.039 0.000 0.926 266 L CA -0.518 54.306 54.840 -0.026 0.000 0.885 266 L CB 1.520 43.562 42.059 -0.029 0.000 1.380 266 L HN -0.090 nan 8.230 nan 0.000 0.415 267 I N 5.526 126.060 120.570 -0.060 0.000 2.354 267 I HA 0.482 4.651 4.170 -0.001 0.000 0.292 267 I C -0.545 175.459 176.117 -0.189 0.000 0.989 267 I CA -0.374 60.861 61.300 -0.109 0.000 1.188 267 I CB 1.572 39.512 38.000 -0.101 0.000 1.342 267 I HN 0.482 nan 8.210 nan 0.000 0.457 268 I N 6.725 127.167 120.570 -0.214 0.000 2.404 268 I HA 0.365 4.535 4.170 -0.001 0.000 0.293 268 I C -0.547 175.341 176.117 -0.381 0.000 0.992 268 I CA -0.860 60.278 61.300 -0.270 0.000 1.149 268 I CB 1.902 39.793 38.000 -0.182 0.000 1.315 268 I HN 0.168 nan 8.210 nan 0.000 0.446 269 V N 4.952 124.516 119.914 -0.584 0.000 2.370 269 V HA 0.391 4.510 4.120 -0.001 0.000 0.283 269 V C 0.717 176.461 176.094 -0.582 0.000 1.023 269 V CA -0.612 61.245 62.300 -0.738 0.000 0.857 269 V CB 1.482 32.529 31.823 -1.293 0.000 0.985 269 V HN 0.917 nan 8.190 nan 0.000 0.443 270 G N 2.570 111.084 108.800 -0.476 0.000 2.621 270 G HA2 0.281 4.241 3.960 -0.001 0.000 0.306 270 G HA3 0.281 4.241 3.960 -0.001 0.000 0.306 270 G C 0.247 174.819 174.900 -0.548 0.000 0.893 270 G CA -0.049 44.821 45.100 -0.384 0.000 1.486 270 G HN 0.655 nan 8.290 nan 0.000 0.477 271 S N 2.405 117.786 115.700 -0.532 0.000 2.592 271 S HA 0.592 5.062 4.470 -0.001 0.000 0.305 271 S C 0.861 175.150 174.600 -0.519 0.000 1.118 271 S CA -0.335 57.500 58.200 -0.609 0.000 1.075 271 S CB -0.079 62.991 63.200 -0.217 0.000 1.107 271 S HN 0.724 nan 8.310 nan 0.000 0.503 272 G N 2.382 110.929 108.800 -0.423 0.000 2.437 272 G HA2 0.597 4.556 3.960 -0.001 0.000 0.319 272 G HA3 0.597 4.556 3.960 -0.001 0.000 0.319 272 G C -0.400 174.097 174.900 -0.672 0.000 1.158 272 G CA -0.701 44.164 45.100 -0.392 0.000 0.899 272 G HN 0.704 nan 8.290 nan 0.000 0.502 273 F N -0.364 119.532 119.950 -0.091 0.000 2.735 273 F HA 0.168 4.695 4.527 0.000 0.000 0.304 273 F C 1.102 176.900 175.800 -0.004 0.000 1.119 273 F CA -0.591 57.210 58.000 -0.332 0.000 1.280 273 F CB 0.981 39.629 39.000 -0.587 0.000 0.994 273 F HN 0.420 nan 8.300 nan 0.000 0.520 274 D N 0.212 120.739 120.400 0.211 0.000 2.378 274 D HA -0.051 4.588 4.640 -0.001 0.000 0.227 274 D C 1.722 178.192 176.300 0.283 0.000 1.012 274 D CA 0.510 54.692 54.000 0.303 0.000 0.905 274 D CB -0.238 40.833 40.800 0.451 0.000 0.895 274 D HN 0.234 nan 8.370 nan 0.000 0.532 275 A N 0.398 123.417 122.820 0.332 0.000 2.251 275 A HA 0.192 4.512 4.320 -0.001 0.000 0.209 275 A C 1.215 178.936 177.584 0.229 0.000 1.187 275 A CA -0.038 52.137 52.037 0.230 0.000 0.823 275 A CB -0.462 18.558 19.000 0.034 0.000 0.846 275 A HN 0.261 nan 8.150 nan 0.000 0.486 276 S N -1.316 114.634 115.700 0.416 0.000 2.584 276 S HA 0.192 4.662 4.470 -0.001 0.000 0.270 276 S C 1.053 175.795 174.600 0.238 0.000 1.346 276 S CA 0.312 58.764 58.200 0.419 0.000 1.018 276 S CB 0.355 63.884 63.200 0.548 0.000 0.899 276 S HN 0.336 nan 8.310 nan 0.000 0.542 277 M N 1.726 121.430 119.600 0.172 0.000 2.260 277 M HA 0.050 4.529 4.480 -0.001 0.000 0.261 277 M C 0.956 177.276 176.300 0.035 0.000 1.066 277 M CA 1.755 57.079 55.300 0.040 0.000 1.082 277 M CB -0.648 31.909 32.600 -0.072 0.000 1.388 277 M HN 0.772 nan 8.290 nan 0.000 0.419 278 L N -1.155 120.120 121.223 0.086 0.000 2.857 278 L HA 0.243 4.582 4.340 -0.001 0.000 0.249 278 L C 0.166 177.134 176.870 0.163 0.000 1.172 278 L CA -0.445 54.439 54.840 0.073 0.000 0.980 278 L CB -0.159 41.887 42.059 -0.021 0.000 1.299 278 L HN 0.055 nan 8.230 nan 0.000 0.535 279 D N 1.947 122.472 120.400 0.209 0.000 2.351 279 D HA 0.104 4.744 4.640 -0.001 0.000 0.251 279 D C -1.426 175.011 176.300 0.228 0.000 1.137 279 D CA -1.329 52.828 54.000 0.262 0.000 0.879 279 D CB 2.133 43.121 40.800 0.315 0.000 1.181 279 D HN -0.022 nan 8.370 nan 0.000 0.448 280 P HA -0.026 nan 4.420 nan 0.000 0.222 280 P C 1.374 178.775 177.300 0.169 0.000 1.153 280 P CA 0.430 63.634 63.100 0.172 0.000 0.798 280 P CB 0.521 32.312 31.700 0.151 0.000 0.796 281 L N -1.480 119.882 121.223 0.233 0.000 2.629 281 L HA 0.381 4.720 4.340 -0.001 0.000 0.230 281 L C 0.951 178.036 176.870 0.359 0.000 1.151 281 L CA -0.213 54.770 54.840 0.239 0.000 0.924 281 L CB -0.128 42.006 42.059 0.126 0.000 1.137 281 L HN -0.024 nan 8.230 nan 0.000 0.457 282 A N -0.600 122.376 122.820 0.260 0.000 2.536 282 A HA 0.663 4.982 4.320 -0.001 0.000 0.293 282 A C -0.517 177.165 177.584 0.164 0.000 1.119 282 A CA -0.665 51.496 52.037 0.206 0.000 0.654 282 A CB 1.050 20.136 19.000 0.144 0.000 1.291 282 A HN 0.033 nan 8.150 nan 0.000 0.439 283 R N 0.075 120.661 120.500 0.144 0.000 2.700 283 R HA 0.302 4.642 4.340 -0.001 0.000 0.377 283 R C -0.495 175.872 176.300 0.111 0.000 1.130 283 R CA -0.162 56.006 56.100 0.114 0.000 1.055 283 R CB 0.125 30.484 30.300 0.098 0.000 1.387 283 R HN 0.658 nan 8.270 nan 0.000 0.580 284 M N 0.007 119.685 119.600 0.130 0.000 2.494 284 M HA 0.433 4.912 4.480 -0.001 0.000 0.300 284 M C 0.973 177.319 176.300 0.076 0.000 1.189 284 M CA -0.334 55.045 55.300 0.132 0.000 0.982 284 M CB 0.973 33.688 32.600 0.191 0.000 1.534 284 M HN -0.034 nan 8.290 nan 0.000 0.488 285 M N 0.565 120.187 119.600 0.037 0.000 2.705 285 M HA 0.220 4.700 4.480 -0.001 0.000 0.387 285 M C -0.603 175.656 176.300 -0.069 0.000 1.204 285 M CA -0.197 55.098 55.300 -0.008 0.000 0.905 285 M CB 0.461 33.054 32.600 -0.013 0.000 1.394 285 M HN 0.224 nan 8.290 nan 0.000 0.515 286 V N 1.830 121.647 119.914 -0.163 0.000 2.585 286 V HA 0.119 4.239 4.120 -0.001 0.000 0.296 286 V C 0.964 176.985 176.094 -0.122 0.000 1.035 286 V CA 0.046 62.117 62.300 -0.382 0.000 1.084 286 V CB 0.512 31.718 31.823 -1.027 0.000 0.953 286 V HN 0.541 nan 8.190 nan 0.000 0.483 287 T N 2.110 116.616 114.554 -0.080 0.000 2.910 287 T HA 0.627 4.976 4.350 -0.001 0.000 0.279 287 T C 1.313 176.142 174.700 0.214 0.000 0.989 287 T CA -0.101 62.118 62.100 0.199 0.000 0.968 287 T CB 1.681 70.632 68.868 0.138 0.000 1.135 287 T HN 0.693 nan 8.240 nan 0.000 0.562 288 A N 0.220 123.222 122.820 0.304 0.000 1.940 288 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 288 A C 1.979 179.636 177.584 0.123 0.000 1.176 288 A CA 2.287 54.402 52.037 0.130 0.000 0.631 288 A CB -1.432 17.587 19.000 0.031 0.000 0.814 288 A HN 1.008 nan 8.150 nan 0.000 0.446 289 D N -0.878 119.604 120.400 0.136 0.000 2.144 289 D HA -0.024 4.616 4.640 -0.001 0.000 0.199 289 D C 1.960 178.265 176.300 0.009 0.000 0.984 289 D CA 1.560 55.610 54.000 0.083 0.000 0.834 289 D CB -0.399 40.481 40.800 0.133 0.000 0.955 289 D HN 0.308 nan 8.370 nan 0.000 0.465 290 G N -0.635 108.124 108.800 -0.068 0.000 2.433 290 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.216 290 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.216 290 G C 1.366 176.082 174.900 -0.307 0.000 1.186 290 G CA 0.655 45.616 45.100 -0.231 0.000 0.779 290 G HN 0.269 nan 8.290 nan 0.000 0.543 291 F N 0.746 120.608 119.950 -0.147 0.000 2.171 291 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 291 F C 2.700 178.446 175.800 -0.091 0.000 1.090 291 F CA 1.331 59.221 58.000 -0.182 0.000 1.293 291 F CB -0.429 38.551 39.000 -0.033 0.000 1.013 291 F HN 0.022 nan 8.300 nan 0.000 0.486 292 R N 0.464 121.033 120.500 0.114 0.000 2.096 292 R HA -0.227 4.112 4.340 -0.001 0.000 0.240 292 R C 2.166 178.509 176.300 0.072 0.000 1.139 292 R CA 2.061 58.210 56.100 0.083 0.000 0.952 292 R CB -0.349 29.980 30.300 0.049 0.000 0.854 292 R HN 0.364 nan 8.270 nan 0.000 0.436 293 Q N -0.380 119.436 119.800 0.026 0.000 2.119 293 Q HA -0.153 4.187 4.340 -0.001 0.000 0.201 293 Q C 2.228 178.249 176.000 0.036 0.000 0.972 293 Q CA 1.878 57.697 55.803 0.027 0.000 0.847 293 Q CB -0.051 28.688 28.738 0.001 0.000 0.903 293 Q HN 0.413 nan 8.270 nan 0.000 0.433 294 M N 0.080 119.653 119.600 -0.046 0.000 2.117 294 M HA -0.178 4.302 4.480 -0.001 0.000 0.262 294 M C 2.366 178.781 176.300 0.192 0.000 1.065 294 M CA 1.610 56.867 55.300 -0.071 0.000 1.114 294 M CB -0.344 31.947 32.600 -0.516 0.000 1.361 294 M HN 0.232 nan 8.290 nan 0.000 0.408 295 A N 0.345 123.338 122.820 0.288 0.000 1.877 295 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 295 A C 2.106 179.942 177.584 0.419 0.000 1.186 295 A CA 2.029 54.422 52.037 0.592 0.000 0.620 295 A CB -0.648 18.602 19.000 0.417 0.000 0.822 295 A HN 0.381 nan 8.150 nan 0.000 0.443 296 R N -0.032 120.616 120.500 0.247 0.000 2.094 296 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 296 R C 2.245 178.659 176.300 0.190 0.000 1.137 296 R CA 2.205 58.416 56.100 0.186 0.000 0.943 296 R CB -0.582 29.789 30.300 0.118 0.000 0.850 296 R HN 0.527 nan 8.270 nan 0.000 0.433 297 R N -1.015 119.591 120.500 0.176 0.000 2.103 297 R HA -0.101 4.238 4.340 -0.001 0.000 0.242 297 R C 2.198 178.616 176.300 0.196 0.000 1.142 297 R CA 2.252 58.448 56.100 0.160 0.000 0.960 297 R CB -0.424 29.959 30.300 0.139 0.000 0.858 297 R HN 0.354 nan 8.270 nan 0.000 0.439 298 T N 0.601 115.325 114.554 0.284 0.000 2.851 298 T HA -0.006 4.344 4.350 -0.001 0.000 0.262 298 T C 1.859 176.698 174.700 0.231 0.000 1.043 298 T CA 0.952 63.217 62.100 0.276 0.000 1.140 298 T CB -0.080 69.025 68.868 0.394 0.000 0.872 298 T HN 0.110 nan 8.240 nan 0.000 0.446 299 I N 1.637 122.391 120.570 0.306 0.000 2.179 299 I HA -0.175 3.995 4.170 -0.001 0.000 0.242 299 I C 2.287 178.513 176.117 0.182 0.000 1.088 299 I CA 1.204 62.664 61.300 0.267 0.000 1.357 299 I CB -0.365 37.825 38.000 0.317 0.000 1.051 299 I HN 0.094 nan 8.210 nan 0.000 0.409 300 D N 0.076 120.575 120.400 0.164 0.000 2.149 300 D HA -0.218 4.422 4.640 -0.001 0.000 0.198 300 D C 2.212 178.575 176.300 0.105 0.000 0.990 300 D CA 1.205 55.279 54.000 0.122 0.000 0.839 300 D CB -0.636 40.228 40.800 0.106 0.000 0.948 300 D HN 0.413 nan 8.370 nan 0.000 0.460 301 C N 0.993 120.359 119.300 0.110 0.000 2.429 301 C HA -0.020 4.440 4.460 -0.001 0.000 0.277 301 C C 2.875 177.912 174.990 0.079 0.000 1.262 301 C CA 1.377 60.449 59.018 0.089 0.000 1.733 301 C CB -1.053 26.742 27.740 0.093 0.000 2.010 301 C HN 0.337 nan 8.230 nan 0.000 0.483 302 A N 0.254 123.126 122.820 0.087 0.000 1.933 302 A HA 0.121 4.440 4.320 -0.001 0.000 0.218 302 A C 2.465 180.094 177.584 0.075 0.000 1.175 302 A CA 2.141 54.221 52.037 0.072 0.000 0.628 302 A CB -1.080 17.965 19.000 0.075 0.000 0.814 302 A HN 0.852 nan 8.150 nan 0.000 0.444 303 A N 0.083 122.959 122.820 0.093 0.000 1.902 303 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 303 A C 1.754 179.379 177.584 0.068 0.000 1.181 303 A CA 1.914 54.006 52.037 0.090 0.000 0.623 303 A CB -0.529 18.533 19.000 0.104 0.000 0.818 303 A HN 0.452 nan 8.150 nan 0.000 0.443 304 D N -0.363 120.075 120.400 0.064 0.000 2.149 304 D HA -0.077 4.563 4.640 -0.001 0.000 0.201 304 D C 1.810 178.133 176.300 0.039 0.000 0.972 304 D CA 1.733 55.763 54.000 0.050 0.000 0.835 304 D CB -0.139 40.691 40.800 0.049 0.000 0.966 304 D HN 0.749 nan 8.370 nan 0.000 0.476 305 I N -2.501 118.092 120.570 0.039 0.000 4.312 305 I HA 0.173 4.343 4.170 -0.001 0.000 0.324 305 I C 0.664 176.790 176.117 0.015 0.000 1.298 305 I CA -0.093 61.222 61.300 0.026 0.000 1.231 305 I CB 0.637 38.654 38.000 0.029 0.000 1.152 305 I HN -0.016 nan 8.210 nan 0.000 0.421 306 C N -0.429 118.884 119.300 0.022 0.000 3.151 306 C HA 0.516 4.976 4.460 -0.001 0.000 0.249 306 C C -0.075 174.928 174.990 0.021 0.000 2.249 306 C CA -0.773 58.252 59.018 0.012 0.000 1.517 306 C CB -1.161 26.582 27.740 0.004 0.000 2.989 306 C HN 0.501 nan 8.230 nan 0.000 0.476 307 D N 1.059 121.475 120.400 0.028 0.000 2.837 307 D HA -0.083 4.556 4.640 -0.001 0.000 0.230 307 D C 1.469 177.798 176.300 0.049 0.000 1.152 307 D CA 2.458 56.476 54.000 0.031 0.000 0.736 307 D CB -1.489 39.320 40.800 0.015 0.000 1.084 307 D HN 1.715 nan 8.370 nan 0.000 0.429 308 G N -0.447 108.393 108.800 0.067 0.000 2.168 308 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.263 308 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.263 308 G C 0.309 175.263 174.900 0.090 0.000 0.977 308 G CA 0.353 45.511 45.100 0.096 0.000 0.659 308 G HN 0.533 nan 8.290 nan 0.000 0.533 309 R N 0.041 120.575 120.500 0.057 0.000 2.357 309 R HA 0.520 4.859 4.340 -0.001 0.000 0.330 309 R C -0.018 176.299 176.300 0.028 0.000 1.102 309 R CA 0.236 56.363 56.100 0.045 0.000 0.974 309 R CB 0.322 30.637 30.300 0.024 0.000 1.002 309 R HN 0.471 nan 8.270 nan 0.000 0.463 310 I N 2.351 122.948 120.570 0.045 0.000 2.607 310 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 310 I C -1.360 174.761 176.117 0.007 0.000 1.129 310 I CA -0.963 60.326 61.300 -0.017 0.000 1.042 310 I CB 2.132 40.133 38.000 0.002 0.000 1.242 310 I HN 0.182 nan 8.210 nan 0.000 0.421 311 V N 7.943 127.786 119.914 -0.120 0.000 2.409 311 V HA 0.416 4.536 4.120 -0.001 0.000 0.290 311 V C -0.603 175.345 176.094 -0.243 0.000 1.017 311 V CA -0.388 61.869 62.300 -0.072 0.000 0.841 311 V CB 1.420 33.204 31.823 -0.064 0.000 1.003 311 V HN 0.463 nan 8.190 nan 0.000 0.426 312 F N 3.797 123.605 119.950 -0.236 0.000 2.410 312 F HA 0.602 5.129 4.527 0.000 0.000 0.348 312 F C 0.241 175.650 175.800 -0.652 0.000 1.106 312 F CA -0.469 57.225 58.000 -0.510 0.000 1.163 312 F CB 1.678 40.270 39.000 -0.681 0.000 1.129 312 F HN 0.180 nan 8.300 nan 0.000 0.516 313 V N 3.052 122.718 119.914 -0.413 0.000 2.483 313 V HA 0.245 4.365 4.120 -0.001 0.000 0.297 313 V C -0.348 175.588 176.094 -0.265 0.000 1.027 313 V CA -1.047 61.069 62.300 -0.308 0.000 0.855 313 V CB 1.494 33.196 31.823 -0.201 0.000 0.995 313 V HN 0.617 nan 8.190 nan 0.000 0.424 314 Q N 3.913 123.643 119.800 -0.117 0.000 2.300 314 Q HA 0.142 4.481 4.340 -0.001 0.000 0.280 314 Q C 0.236 176.193 176.000 -0.072 0.000 1.033 314 Q CA 1.002 56.835 55.803 0.051 0.000 0.903 314 Q CB 0.662 29.549 28.738 0.248 0.000 1.195 314 Q HN 0.749 nan 8.270 nan 0.000 0.386 315 E N 2.085 122.208 120.200 -0.129 0.000 3.834 315 E HA 0.443 4.793 4.350 -0.001 0.000 0.318 315 E C 0.206 176.755 176.600 -0.085 0.000 0.680 315 E CA -0.078 56.214 56.400 -0.180 0.000 1.860 315 E CB -0.615 28.842 29.700 -0.404 0.000 2.061 315 E HN 0.708 nan 8.360 nan 0.000 0.447 316 G N -1.010 107.744 108.800 -0.076 0.000 2.509 316 G HA2 0.489 4.448 3.960 -0.001 0.000 0.269 316 G HA3 0.489 4.448 3.960 -0.001 0.000 0.269 316 G C -0.186 174.592 174.900 -0.203 0.000 1.416 316 G CA 0.082 45.170 45.100 -0.021 0.000 1.052 316 G HN 0.555 nan 8.290 nan 0.000 0.542 317 G N -2.937 105.507 108.800 -0.593 0.000 2.957 317 G HA2 0.168 4.128 3.960 -0.001 0.000 0.636 317 G HA3 0.168 4.128 3.960 -0.001 0.000 0.636 317 G C -0.793 173.622 174.900 -0.809 0.000 1.401 317 G CA -0.417 44.455 45.100 -0.381 0.000 0.941 317 G HN 0.755 nan 8.290 nan 0.000 0.610 318 Y N 0.961 121.399 120.300 0.229 0.000 2.672 318 Y HA 0.482 5.032 4.550 -0.000 0.000 0.252 318 Y C 1.476 177.486 175.900 0.183 0.000 1.132 318 Y CA 0.156 58.381 58.100 0.209 0.000 1.228 318 Y CB 1.521 40.114 38.460 0.223 0.000 1.310 318 Y HN 0.625 nan 8.280 nan 0.000 0.549 319 S N 3.795 119.635 115.700 0.233 0.000 2.409 319 S HA 0.172 4.641 4.470 -0.001 0.000 0.308 319 S C -1.543 173.121 174.600 0.107 0.000 1.080 319 S CA -1.645 56.689 58.200 0.225 0.000 1.081 319 S CB 0.581 63.939 63.200 0.264 0.000 1.009 319 S HN 0.059 nan 8.310 nan 0.000 0.502 320 P HA -0.151 nan 4.420 nan 0.000 0.220 320 P C 0.952 178.156 177.300 -0.160 0.000 1.148 320 P CA 1.264 64.290 63.100 -0.122 0.000 0.803 320 P CB -0.077 31.479 31.700 -0.240 0.000 0.782 321 H N -2.068 117.056 119.070 0.089 0.000 2.299 321 H HA -0.104 4.451 4.556 -0.001 0.000 0.302 321 H C 1.815 177.230 175.328 0.144 0.000 1.078 321 H CA 1.357 57.480 56.048 0.126 0.000 1.323 321 H CB -0.801 29.000 29.762 0.065 0.000 1.381 321 H HN 0.172 nan 8.280 nan 0.000 0.498 322 Y N 0.813 121.113 120.300 0.000 0.000 2.522 322 Y HA 0.111 4.660 4.550 -0.001 0.000 0.277 322 Y C 2.469 178.332 175.900 -0.061 0.000 1.104 322 Y CA -0.201 57.840 58.100 -0.098 0.000 1.260 322 Y CB -0.294 38.037 38.460 -0.214 0.000 1.151 322 Y HN -0.008 nan 8.280 nan 0.000 0.539 323 L N 1.108 122.252 121.223 -0.132 0.000 2.021 323 L HA -0.180 4.159 4.340 -0.001 0.000 0.215 323 L C -0.870 175.606 176.870 -0.657 0.000 1.074 323 L CA 1.977 56.602 54.840 -0.358 0.000 0.760 323 L CB -1.267 40.709 42.059 -0.139 0.000 0.889 323 L HN 0.053 nan 8.230 nan 0.000 0.433 324 P HA -0.200 nan 4.420 nan 0.000 0.217 324 P C 1.208 178.003 177.300 -0.841 0.000 1.151 324 P CA 1.785 64.517 63.100 -0.614 0.000 0.849 324 P CB -0.111 31.294 31.700 -0.492 0.000 0.787 325 F N -1.609 118.040 119.950 -0.501 0.000 2.234 325 F HA -0.114 4.412 4.527 -0.002 0.000 0.296 325 F C 2.468 177.863 175.800 -0.674 0.000 1.089 325 F CA 0.748 58.470 58.000 -0.463 0.000 1.343 325 F CB -1.461 37.397 39.000 -0.237 0.000 1.040 325 F HN -0.036 nan 8.300 nan 0.000 0.498 326 C N 0.134 118.929 119.300 -0.841 0.000 2.413 326 C HA -0.131 4.329 4.460 -0.001 0.000 0.276 326 C C 3.156 177.261 174.990 -1.474 0.000 1.236 326 C CA 1.366 59.766 59.018 -1.031 0.000 1.735 326 C CB -1.646 25.353 27.740 -1.235 0.000 2.031 326 C HN 0.643 nan 8.230 nan 0.000 0.474 327 G N 0.122 107.683 108.800 -2.064 0.000 2.421 327 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.216 327 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.216 327 G C 1.503 175.778 174.900 -1.042 0.000 1.171 327 G CA 0.899 44.696 45.100 -2.173 0.000 0.775 327 G HN 0.425 nan 8.290 nan 0.000 0.543 328 L N 1.627 122.387 121.223 -0.771 0.000 2.013 328 L HA -0.044 4.296 4.340 -0.001 0.000 0.212 328 L C 3.132 179.872 176.870 -0.217 0.000 1.073 328 L CA 2.323 56.984 54.840 -0.299 0.000 0.753 328 L CB -0.907 41.002 42.059 -0.250 0.000 0.890 328 L HN 0.268 nan 8.230 nan 0.000 0.432 329 A N -1.272 121.409 122.820 -0.232 0.000 1.892 329 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 329 A C 2.281 179.825 177.584 -0.067 0.000 1.188 329 A CA 2.363 54.335 52.037 -0.107 0.000 0.631 329 A CB -1.227 17.731 19.000 -0.071 0.000 0.822 329 A HN 0.345 nan 8.150 nan 0.000 0.447 330 V N 0.271 120.134 119.914 -0.085 0.000 2.295 330 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 330 V C 2.421 178.462 176.094 -0.089 0.000 1.049 330 V CA 2.045 64.338 62.300 -0.012 0.000 1.024 330 V CB -0.689 31.229 31.823 0.158 0.000 0.648 330 V HN 0.581 nan 8.190 nan 0.000 0.447 331 I N -0.207 120.304 120.570 -0.099 0.000 2.315 331 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 331 I C 2.539 178.623 176.117 -0.055 0.000 1.117 331 I CA 1.477 62.737 61.300 -0.066 0.000 1.404 331 I CB -0.477 37.473 38.000 -0.084 0.000 1.071 331 I HN 0.431 nan 8.210 nan 0.000 0.419 332 E N 0.629 120.793 120.200 -0.059 0.000 2.110 332 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 332 E C 1.949 178.545 176.600 -0.007 0.000 0.988 332 E CA 0.868 57.244 56.400 -0.041 0.000 0.804 332 E CB 0.004 29.683 29.700 -0.035 0.000 0.745 332 E HN 0.397 nan 8.360 nan 0.000 0.458 333 E N 0.546 120.751 120.200 0.009 0.000 2.204 333 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 333 E C 2.136 178.781 176.600 0.076 0.000 0.989 333 E CA 0.550 56.980 56.400 0.051 0.000 0.824 333 E CB -0.057 29.692 29.700 0.082 0.000 0.756 333 E HN 0.343 nan 8.360 nan 0.000 0.477 334 L N 0.574 121.828 121.223 0.053 0.000 2.044 334 L HA -0.117 4.223 4.340 -0.001 0.000 0.205 334 L C 2.559 179.465 176.870 0.060 0.000 1.075 334 L CA 1.755 56.650 54.840 0.093 0.000 0.747 334 L CB -0.541 41.578 42.059 0.100 0.000 0.903 334 L HN 0.195 nan 8.230 nan 0.000 0.435 335 T N -4.145 110.393 114.554 -0.025 0.000 3.054 335 T HA 0.137 4.487 4.350 -0.001 0.000 0.259 335 T C 1.551 176.328 174.700 0.128 0.000 1.092 335 T CA 0.551 62.562 62.100 -0.147 0.000 1.121 335 T CB 0.303 68.960 68.868 -0.352 0.000 0.912 335 T HN 0.450 nan 8.240 nan 0.000 0.489 336 G N 0.836 109.709 108.800 0.122 0.000 2.168 336 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.263 336 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.263 336 G C 0.094 175.097 174.900 0.172 0.000 0.977 336 G CA 0.104 45.291 45.100 0.145 0.000 0.659 336 G HN 0.744 nan 8.290 nan 0.000 0.533 337 V N 1.331 121.295 119.914 0.083 0.000 2.320 337 V HA 0.412 4.531 4.120 -0.001 0.000 0.265 337 V C 0.826 176.893 176.094 -0.045 0.000 1.048 337 V CA -0.338 61.941 62.300 -0.035 0.000 0.865 337 V CB 0.873 32.450 31.823 -0.411 0.000 1.043 337 V HN 0.348 nan 8.190 nan 0.000 0.474 338 R N 3.152 123.642 120.500 -0.017 0.000 2.666 338 R HA 0.259 4.598 4.340 -0.001 0.000 0.275 338 R C 0.768 177.062 176.300 -0.010 0.000 1.266 338 R CA -0.007 56.084 56.100 -0.016 0.000 1.401 338 R CB 0.720 31.011 30.300 -0.016 0.000 1.145 338 R HN 0.768 nan 8.270 nan 0.000 0.581 339 S N 0.686 116.382 115.700 -0.006 0.000 2.578 339 S HA 0.201 4.671 4.470 -0.001 0.000 0.231 339 S C 0.102 174.714 174.600 0.019 0.000 0.994 339 S CA -0.377 57.827 58.200 0.007 0.000 0.956 339 S CB 0.307 63.516 63.200 0.014 0.000 0.870 339 S HN 0.293 nan 8.310 nan 0.000 0.494 340 L N 2.389 123.627 121.223 0.026 0.000 2.588 340 L HA 0.608 4.948 4.340 -0.001 0.000 0.263 340 L C -2.771 174.130 176.870 0.051 0.000 0.935 340 L CA -1.345 53.527 54.840 0.053 0.000 0.891 340 L CB 1.719 43.837 42.059 0.098 0.000 1.318 340 L HN -0.058 nan 8.230 nan 0.000 0.409 341 P HA 0.224 nan 4.420 nan 0.000 0.274 341 P C -1.220 176.068 177.300 -0.021 0.000 1.246 341 P CA -0.302 62.790 63.100 -0.014 0.000 0.795 341 P CB 0.559 32.230 31.700 -0.047 0.000 1.006 342 D N 1.667 122.053 120.400 -0.024 0.000 2.344 342 D HA 0.059 4.699 4.640 -0.001 0.000 0.253 342 D C -1.384 174.835 176.300 -0.136 0.000 1.255 342 D CA -2.109 51.847 54.000 -0.073 0.000 0.894 342 D CB 0.400 41.291 40.800 0.152 0.000 1.067 342 D HN 0.127 nan 8.370 nan 0.000 0.492 343 P HA -0.097 nan 4.420 nan 0.000 0.237 343 P C 0.432 177.506 177.300 -0.377 0.000 1.178 343 P CA 0.656 63.517 63.100 -0.397 0.000 0.766 343 P CB -0.010 31.339 31.700 -0.584 0.000 0.876 344 Y N -1.985 118.253 120.300 -0.104 0.000 2.457 344 Y HA 0.053 4.603 4.550 -0.001 0.000 0.263 344 Y C 2.643 178.571 175.900 0.047 0.000 1.164 344 Y CA 0.062 58.157 58.100 -0.007 0.000 1.274 344 Y CB -0.862 37.557 38.460 -0.068 0.000 1.097 344 Y HN 0.056 nan 8.280 nan 0.000 0.523 345 H N 0.798 119.931 119.070 0.106 0.000 2.289 345 H HA -0.156 4.399 4.556 -0.001 0.000 0.296 345 H C 1.935 177.292 175.328 0.048 0.000 1.091 345 H CA 2.382 58.477 56.048 0.080 0.000 1.274 345 H CB 0.329 30.116 29.762 0.041 0.000 1.364 345 H HN 0.104 nan 8.280 nan 0.000 0.490 346 E N -0.276 119.972 120.200 0.080 0.000 2.072 346 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 346 E C 2.168 178.772 176.600 0.006 0.000 0.985 346 E CA 0.807 57.222 56.400 0.025 0.000 0.801 346 E CB -0.574 29.172 29.700 0.076 0.000 0.750 346 E HN 0.502 nan 8.360 nan 0.000 0.452 347 F N 1.504 121.405 119.950 -0.081 0.000 2.126 347 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 347 F C 1.981 177.718 175.800 -0.106 0.000 1.096 347 F CA 1.315 59.269 58.000 -0.076 0.000 1.255 347 F CB -0.142 38.832 39.000 -0.044 0.000 0.997 347 F HN -0.086 nan 8.300 nan 0.000 0.479 348 L N -0.785 120.266 121.223 -0.286 0.000 2.416 348 L HA 0.164 4.503 4.340 -0.001 0.000 0.216 348 L C 2.629 179.295 176.870 -0.341 0.000 1.098 348 L CA 0.626 55.216 54.840 -0.418 0.000 0.840 348 L CB -1.040 40.832 42.059 -0.311 0.000 0.981 348 L HN 0.143 nan 8.230 nan 0.000 0.462 349 A N 0.812 123.419 122.820 -0.354 0.000 1.978 349 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 349 A C 2.200 179.660 177.584 -0.207 0.000 1.170 349 A CA 1.837 53.667 52.037 -0.345 0.000 0.636 349 A CB -0.888 17.847 19.000 -0.442 0.000 0.810 349 A HN 0.427 nan 8.150 nan 0.000 0.448 350 G N -1.701 106.984 108.800 -0.191 0.000 3.042 350 G HA2 0.178 4.138 3.960 -0.001 0.000 0.212 350 G HA3 0.178 4.138 3.960 -0.001 0.000 0.212 350 G C 1.296 176.106 174.900 -0.149 0.000 1.166 350 G CA 0.372 45.388 45.100 -0.140 0.000 0.767 350 G HN 0.444 nan 8.290 nan 0.000 0.546 351 M N 0.274 119.755 119.600 -0.197 0.000 2.394 351 M HA 0.204 4.683 4.480 -0.001 0.000 0.264 351 M C 1.490 177.715 176.300 -0.124 0.000 1.073 351 M CA 1.066 56.256 55.300 -0.183 0.000 1.111 351 M CB -0.044 32.411 32.600 -0.242 0.000 1.401 351 M HN 0.343 nan 8.290 nan 0.000 0.448 352 G N -1.103 107.631 108.800 -0.110 0.000 2.447 352 G HA2 0.121 4.081 3.960 -0.001 0.000 0.220 352 G HA3 0.121 4.081 3.960 -0.001 0.000 0.220 352 G C 0.312 175.172 174.900 -0.066 0.000 1.261 352 G CA -0.540 44.515 45.100 -0.076 0.000 1.000 352 G HN 0.651 nan 8.290 nan 0.000 0.515 353 G N -1.389 107.384 108.800 -0.044 0.000 2.199 353 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.254 353 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.254 353 G C 0.842 175.727 174.900 -0.025 0.000 0.982 353 G CA 1.204 46.288 45.100 -0.027 0.000 0.632 353 G HN 1.488 nan 8.290 nan 0.000 0.529 354 N N 0.721 119.400 118.700 -0.034 0.000 2.322 354 N HA 0.108 4.847 4.740 -0.001 0.000 0.194 354 N C -0.107 175.388 175.510 -0.025 0.000 1.126 354 N CA 0.892 53.926 53.050 -0.027 0.000 0.845 354 N CB 0.586 39.055 38.487 -0.029 0.000 0.976 354 N HN 0.412 nan 8.380 nan 0.000 0.475 355 T N 1.451 115.987 114.554 -0.030 0.000 2.809 355 T HA 0.230 4.580 4.350 -0.001 0.000 0.284 355 T C -0.181 174.490 174.700 -0.048 0.000 0.992 355 T CA -0.580 61.498 62.100 -0.037 0.000 0.957 355 T CB 2.065 70.912 68.868 -0.036 0.000 0.942 355 T HN -0.057 nan 8.240 nan 0.000 0.439 356 L N 5.581 126.762 121.223 -0.070 0.000 2.565 356 L HA 0.285 4.624 4.340 -0.001 0.000 0.275 356 L C -0.381 176.428 176.870 -0.102 0.000 1.137 356 L CA 0.245 55.018 54.840 -0.111 0.000 0.915 356 L CB -0.478 41.457 42.059 -0.207 0.000 1.232 356 L HN 0.551 nan 8.230 nan 0.000 0.473 357 L N 4.317 125.494 121.223 -0.077 0.000 2.453 357 L HA 0.195 4.535 4.340 -0.001 0.000 0.261 357 L C 1.190 178.018 176.870 -0.070 0.000 1.179 357 L CA -0.724 54.080 54.840 -0.061 0.000 0.813 357 L CB 0.382 42.417 42.059 -0.039 0.000 1.110 357 L HN 0.548 nan 8.230 nan 0.000 0.466 358 D N 1.482 121.849 120.400 -0.054 0.000 2.123 358 D HA -0.180 4.460 4.640 -0.001 0.000 0.196 358 D C 1.954 178.228 176.300 -0.043 0.000 0.992 358 D CA 1.775 55.745 54.000 -0.050 0.000 0.833 358 D CB 0.005 40.784 40.800 -0.035 0.000 0.954 358 D HN 0.698 nan 8.370 nan 0.000 0.455 359 A N 0.710 123.510 122.820 -0.034 0.000 1.933 359 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 359 A C 2.071 179.633 177.584 -0.037 0.000 1.175 359 A CA 1.526 53.546 52.037 -0.028 0.000 0.628 359 A CB -0.433 18.557 19.000 -0.016 0.000 0.814 359 A HN 0.231 nan 8.150 nan 0.000 0.444 360 E N -0.792 119.380 120.200 -0.046 0.000 2.028 360 E HA -0.153 4.196 4.350 -0.001 0.000 0.190 360 E C 2.305 178.872 176.600 -0.054 0.000 0.984 360 E CA 0.942 57.309 56.400 -0.055 0.000 0.800 360 E CB -0.219 29.446 29.700 -0.060 0.000 0.758 360 E HN 0.578 nan 8.360 nan 0.000 0.448 361 R N 0.893 121.340 120.500 -0.089 0.000 2.096 361 R HA -0.222 4.118 4.340 -0.001 0.000 0.240 361 R C 2.251 178.548 176.300 -0.005 0.000 1.139 361 R CA 1.639 57.684 56.100 -0.091 0.000 0.952 361 R CB -0.296 29.909 30.300 -0.158 0.000 0.854 361 R HN 0.178 nan 8.270 nan 0.000 0.436 362 A N 0.522 123.328 122.820 -0.024 0.000 1.902 362 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 362 A C 2.366 179.937 177.584 -0.021 0.000 1.181 362 A CA 1.705 53.733 52.037 -0.015 0.000 0.623 362 A CB -0.756 18.232 19.000 -0.021 0.000 0.818 362 A HN 0.572 nan 8.150 nan 0.000 0.443 363 A N -0.182 122.616 122.820 -0.037 0.000 1.933 363 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 363 A C 2.099 179.649 177.584 -0.056 0.000 1.175 363 A CA 1.532 53.531 52.037 -0.063 0.000 0.628 363 A CB -0.570 18.376 19.000 -0.089 0.000 0.814 363 A HN 0.506 nan 8.150 nan 0.000 0.444 364 I N -0.954 119.603 120.570 -0.022 0.000 2.353 364 I HA -0.176 3.994 4.170 -0.001 0.000 0.248 364 I C 2.466 178.579 176.117 -0.007 0.000 1.119 364 I CA 1.497 62.791 61.300 -0.009 0.000 1.417 364 I CB -0.201 37.848 38.000 0.081 0.000 1.078 364 I HN 0.291 nan 8.210 nan 0.000 0.421 365 E N 1.392 121.604 120.200 0.020 0.000 2.153 365 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 365 E C 1.899 178.493 176.600 -0.009 0.000 0.988 365 E CA 1.248 57.656 56.400 0.014 0.000 0.811 365 E CB -0.086 29.631 29.700 0.030 0.000 0.746 365 E HN 0.388 nan 8.360 nan 0.000 0.466 366 E N -0.429 119.760 120.200 -0.018 0.000 2.171 366 E HA -0.193 4.157 4.350 -0.001 0.000 0.197 366 E C 1.474 178.057 176.600 -0.028 0.000 0.997 366 E CA 1.020 57.406 56.400 -0.023 0.000 0.810 366 E CB -0.054 29.627 29.700 -0.033 0.000 0.738 366 E HN 0.355 nan 8.360 nan 0.000 0.467 367 I N -0.023 120.525 120.570 -0.036 0.000 3.030 367 I HA -0.101 4.068 4.170 -0.001 0.000 0.270 367 I C 2.252 178.342 176.117 -0.044 0.000 1.211 367 I CA 0.464 61.739 61.300 -0.042 0.000 1.479 367 I CB -0.832 37.137 38.000 -0.052 0.000 1.105 367 I HN -0.030 nan 8.210 nan 0.000 0.447 368 V N 2.849 122.739 119.914 -0.040 0.000 2.282 368 V HA -0.195 3.925 4.120 -0.001 0.000 0.249 368 V C -0.078 175.995 176.094 -0.036 0.000 1.057 368 V CA 2.305 64.581 62.300 -0.040 0.000 1.032 368 V CB -1.952 29.851 31.823 -0.034 0.000 0.645 368 V HN 0.269 nan 8.190 nan 0.000 0.447 369 P HA -0.122 nan 4.420 nan 0.000 0.219 369 P C 1.575 178.851 177.300 -0.040 0.000 1.146 369 P CA 1.068 64.152 63.100 -0.028 0.000 0.808 369 P CB -0.093 31.595 31.700 -0.020 0.000 0.779 370 L N -1.770 119.421 121.223 -0.054 0.000 2.275 370 L HA -0.084 4.255 4.340 -0.001 0.000 0.215 370 L C 2.254 179.064 176.870 -0.100 0.000 1.119 370 L CA 1.311 56.101 54.840 -0.083 0.000 0.790 370 L CB -1.309 40.694 42.059 -0.093 0.000 0.919 370 L HN -0.040 nan 8.230 nan 0.000 0.443 371 L N -0.874 120.305 121.223 -0.073 0.000 2.083 371 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 371 L C 2.688 179.524 176.870 -0.057 0.000 1.083 371 L CA 1.046 55.847 54.840 -0.064 0.000 0.752 371 L CB -0.892 41.142 42.059 -0.041 0.000 0.899 371 L HN 0.287 nan 8.230 nan 0.000 0.433 372 A N -0.121 122.671 122.820 -0.046 0.000 2.032 372 A HA -0.228 4.092 4.320 -0.001 0.000 0.221 372 A C 1.667 179.226 177.584 -0.041 0.000 1.165 372 A CA 1.997 54.015 52.037 -0.032 0.000 0.645 372 A CB -0.419 18.567 19.000 -0.023 0.000 0.807 372 A HN 0.409 nan 8.150 nan 0.000 0.453 373 D N -0.659 119.693 120.400 -0.080 0.000 2.339 373 D HA 0.150 4.790 4.640 -0.001 0.000 0.217 373 D C 0.184 176.370 176.300 -0.189 0.000 1.050 373 D CA 0.123 54.058 54.000 -0.109 0.000 0.856 373 D CB -0.017 40.704 40.800 -0.132 0.000 0.922 373 D HN 0.463 nan 8.370 nan 0.000 0.518 374 I N 1.877 122.355 120.570 -0.153 0.000 2.329 374 I HA 0.079 4.248 4.170 -0.001 0.000 0.295 374 I C 0.844 177.029 176.117 0.113 0.000 1.109 374 I CA -0.141 61.090 61.300 -0.114 0.000 1.297 374 I CB -0.135 37.844 38.000 -0.034 0.000 1.433 374 I HN -0.117 nan 8.210 nan 0.000 0.509 375 R N 0.000 120.665 120.500 0.275 0.000 2.786 375 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 375 R CA 0.000 56.278 56.100 0.296 0.000 0.921 375 R CB 0.000 30.483 30.300 0.304 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535