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 3bjs_1_B DATA FIRST_RESID 37 DATA SEQUENCE MKITKINAIP LSYRLPXXXT VTMGVGSTIK RDAIIIRVET SEGITGYGEA DATA SEQUENCE HPGRSPGAIT SLIHNTIAPM LIGMKATDCV GAWQRVHRMQ LSSHGLGAGA DATA SEQUENCE ALAISGIDMA LWDIRGKAAN MPLYELLGGS KRRIPAYAGG IALGYQPKES DATA SEQUENCE LAEEAQEYIA RGYKALKLRI GDAARVDIER VRHVRKVLGD EVDILTDANT DATA SEQUENCE AYTMADARRV LPVLAEIQAG WLEEPFACND FASYREVAKI TPLVPIAAGE DATA SEQUENCE NHYTRFEFGQ MLDAGAVQVW QPDLSKCGGI TEGIRIAAMA SAYRIPINAH DATA SEQUENCE SSATGLNHAA TIHFLAATEN AGYFEACVSK FNPFRDMFGT XFEIGADGCV DATA SEQUENCE EPPDAPGLGI EVDESIFEKY PAVDGPGYVV 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 37 M HA 0.000 nan 4.480 nan 0.000 0.227 37 M C 0.000 176.281 176.300 -0.031 0.000 1.140 37 M CA 0.000 55.283 55.300 -0.029 0.000 0.988 37 M CB 0.000 32.580 32.600 -0.034 0.000 1.302 38 K N 3.219 123.604 120.400 -0.026 0.000 2.109 38 K HA 0.689 5.009 4.320 -0.000 0.000 0.243 38 K C -0.657 175.927 176.600 -0.028 0.000 1.006 38 K CA -0.707 55.564 56.287 -0.025 0.000 0.917 38 K CB 1.590 34.079 32.500 -0.019 0.000 1.081 38 K HN 0.597 nan 8.250 nan 0.000 0.468 39 I N 1.524 122.077 120.570 -0.027 0.000 2.342 39 I HA 0.026 4.196 4.170 -0.000 0.000 0.291 39 I C 1.380 177.484 176.117 -0.021 0.000 1.010 39 I CA -0.071 61.212 61.300 -0.028 0.000 1.308 39 I CB 1.480 39.462 38.000 -0.029 0.000 1.400 39 I HN 0.838 nan 8.210 nan 0.000 0.488 40 T N 1.884 116.425 114.554 -0.022 0.000 3.056 40 T HA 0.263 4.613 4.350 -0.000 0.000 0.241 40 T C 0.666 175.360 174.700 -0.011 0.000 1.006 40 T CA 0.111 62.202 62.100 -0.015 0.000 1.115 40 T CB 0.335 69.194 68.868 -0.014 0.000 0.939 40 T HN 0.412 nan 8.240 nan 0.000 0.462 41 K N 0.456 120.847 120.400 -0.015 0.000 2.501 41 K HA 0.649 4.969 4.320 -0.000 0.000 0.252 41 K C -1.773 174.819 176.600 -0.013 0.000 0.934 41 K CA -0.621 55.663 56.287 -0.005 0.000 0.797 41 K CB 2.653 35.152 32.500 -0.000 0.000 1.270 41 K HN 0.207 nan 8.250 nan 0.000 0.431 42 I N 2.293 122.865 120.570 0.004 0.000 2.418 42 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 42 I C -1.003 175.134 176.117 0.033 0.000 1.008 42 I CA -0.723 60.572 61.300 -0.009 0.000 1.104 42 I CB 1.833 39.817 38.000 -0.026 0.000 1.264 42 I HN 0.500 nan 8.210 nan 0.000 0.438 43 N N 4.353 123.067 118.700 0.023 0.000 2.346 43 N HA 0.677 5.417 4.740 -0.000 0.000 0.289 43 N C -0.936 174.581 175.510 0.012 0.000 1.027 43 N CA -0.539 52.583 53.050 0.120 0.000 0.864 43 N CB 2.259 40.825 38.487 0.131 0.000 1.370 43 N HN 0.672 nan 8.380 nan 0.000 0.481 44 A N 2.500 125.273 122.820 -0.078 0.000 2.249 44 A HA 0.581 4.901 4.320 -0.000 0.000 0.314 44 A C -0.487 177.098 177.584 0.002 0.000 1.290 44 A CA -0.463 51.489 52.037 -0.142 0.000 0.893 44 A CB -0.240 18.555 19.000 -0.341 0.000 1.165 44 A HN 0.707 nan 8.150 nan 0.000 0.530 45 I N 5.059 125.585 120.570 -0.074 0.000 2.359 45 I HA 0.311 4.481 4.170 -0.000 0.000 0.284 45 I C -2.250 173.784 176.117 -0.139 0.000 1.018 45 I CA -2.044 59.183 61.300 -0.122 0.000 1.173 45 I CB 1.855 39.662 38.000 -0.323 0.000 1.326 45 I HN 0.403 nan 8.210 nan 0.000 0.462 46 P HA 0.374 nan 4.420 nan 0.000 0.281 46 P C -0.954 176.341 177.300 -0.008 0.000 1.252 46 P CA -0.325 62.749 63.100 -0.044 0.000 0.778 46 P CB 1.468 33.164 31.700 -0.006 0.000 0.895 47 L N 2.500 123.726 121.223 0.004 0.000 2.354 47 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 47 L C 0.199 177.193 176.870 0.207 0.000 1.008 47 L CA -0.033 54.897 54.840 0.149 0.000 0.819 47 L CB 2.195 44.386 42.059 0.220 0.000 1.339 47 L HN 0.544 nan 8.230 nan 0.000 0.420 48 S N 0.698 116.613 115.700 0.359 0.000 2.570 48 S HA 0.727 5.197 4.470 -0.000 0.000 0.270 48 S C -1.547 173.324 174.600 0.452 0.000 1.149 48 S CA -0.778 57.655 58.200 0.389 0.000 0.837 48 S CB 1.642 64.958 63.200 0.194 0.000 1.124 48 S HN 0.553 nan 8.310 nan 0.000 0.465 49 Y N 0.981 121.417 120.300 0.226 0.000 2.386 49 Y HA 0.643 5.193 4.550 0.000 0.000 0.334 49 Y C -0.916 175.012 175.900 0.046 0.000 1.002 49 Y CA -0.727 57.429 58.100 0.093 0.000 1.068 49 Y CB 1.474 39.842 38.460 -0.155 0.000 1.203 49 Y HN 0.838 nan 8.280 nan 0.000 0.443 50 R N 6.620 126.784 120.500 -0.560 0.000 2.346 50 R HA 0.553 4.893 4.340 -0.000 0.000 0.311 50 R C -1.257 174.496 176.300 -0.913 0.000 0.983 50 R CA -0.988 54.763 56.100 -0.580 0.000 0.880 50 R CB 1.401 31.544 30.300 -0.262 0.000 1.100 50 R HN 0.784 nan 8.270 nan 0.000 0.453 51 L N 1.175 121.964 121.223 -0.725 0.000 2.331 51 L HA 0.734 5.074 4.340 -0.000 0.000 0.275 51 L C -2.047 174.619 176.870 -0.340 0.000 1.022 51 L CA -2.001 52.506 54.840 -0.556 0.000 0.812 51 L CB 0.764 42.523 42.059 -0.500 0.000 1.257 51 L HN 0.407 nan 8.230 nan 0.000 0.435 57 V N 4.861 124.827 119.914 0.086 0.000 2.409 57 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 57 V C 0.428 176.548 176.094 0.044 0.000 1.020 57 V CA -0.662 61.704 62.300 0.109 0.000 0.848 57 V CB 1.933 33.859 31.823 0.172 0.000 0.990 57 V HN 1.040 nan 8.190 nan 0.000 0.430 58 T N 6.974 121.527 114.554 -0.003 0.000 2.771 58 T HA 0.675 5.025 4.350 -0.000 0.000 0.291 58 T C -0.049 174.407 174.700 -0.407 0.000 0.954 58 T CA -0.178 61.897 62.100 -0.041 0.000 1.045 58 T CB 0.845 69.790 68.868 0.128 0.000 0.917 58 T HN 0.483 nan 8.240 nan 0.000 0.484 59 M N 0.990 120.428 119.600 -0.270 0.000 2.777 59 M HA 0.499 4.979 4.480 -0.000 0.000 0.288 59 M C 1.880 178.144 176.300 -0.061 0.000 1.181 59 M CA -0.951 54.102 55.300 -0.413 0.000 0.758 59 M CB 0.974 33.492 32.600 -0.137 0.000 1.757 59 M HN 0.676 nan 8.290 nan 0.000 0.453 60 G N -0.289 108.523 108.800 0.020 0.000 2.471 60 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.219 60 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.219 60 G C 0.954 175.855 174.900 0.003 0.000 1.125 60 G CA 0.688 45.840 45.100 0.088 0.000 0.775 60 G HN 0.436 nan 8.290 nan 0.000 0.548 61 V N -0.354 119.519 119.914 -0.068 0.000 3.129 61 V HA 0.450 4.570 4.120 -0.000 0.000 0.259 61 V C 1.552 177.527 176.094 -0.197 0.000 1.116 61 V CA 0.685 62.856 62.300 -0.215 0.000 1.127 61 V CB -1.171 30.386 31.823 -0.443 0.000 0.742 61 V HN 0.779 nan 8.190 nan 0.000 0.474 62 G N -0.265 108.542 108.800 0.012 0.000 2.236 62 G HA2 0.012 3.971 3.960 -0.000 0.000 0.231 62 G HA3 0.012 3.971 3.960 -0.000 0.000 0.231 62 G C -0.707 174.339 174.900 0.244 0.000 1.334 62 G CA -0.141 45.045 45.100 0.143 0.000 1.137 62 G HN 0.235 nan 8.290 nan 0.000 0.482 63 S N 0.592 116.457 115.700 0.276 0.000 2.449 63 S HA 0.658 5.128 4.470 -0.000 0.000 0.310 63 S C -0.064 174.600 174.600 0.107 0.000 1.096 63 S CA -0.223 58.082 58.200 0.175 0.000 1.095 63 S CB 1.582 64.842 63.200 0.101 0.000 1.007 63 S HN 0.836 nan 8.310 nan 0.000 0.474 64 T N 3.275 117.820 114.554 -0.015 0.000 2.761 64 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 64 T C 1.405 175.983 174.700 -0.203 0.000 0.934 64 T CA -0.401 61.539 62.100 -0.267 0.000 1.091 64 T CB -0.060 68.705 68.868 -0.172 0.000 0.896 64 T HN 0.681 nan 8.240 nan 0.000 0.515 65 I N -0.269 120.153 120.570 -0.245 0.000 4.312 65 I HA 0.523 4.693 4.170 -0.000 0.000 0.324 65 I C 0.438 176.429 176.117 -0.210 0.000 1.298 65 I CA -0.277 60.907 61.300 -0.193 0.000 1.231 65 I CB 0.454 38.374 38.000 -0.134 0.000 1.152 65 I HN 0.301 nan 8.210 nan 0.000 0.421 66 K N 1.717 121.995 120.400 -0.202 0.000 2.535 66 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 66 K C -1.216 175.347 176.600 -0.062 0.000 0.942 66 K CA -0.598 55.605 56.287 -0.140 0.000 0.798 66 K CB 2.250 34.690 32.500 -0.100 0.000 1.267 66 K HN -0.000 nan 8.250 nan 0.000 0.434 67 R N 2.829 123.385 120.500 0.094 0.000 2.295 67 R HA 0.271 4.611 4.340 -0.000 0.000 0.324 67 R C -1.238 175.258 176.300 0.326 0.000 0.968 67 R CA -0.628 55.619 56.100 0.246 0.000 0.837 67 R CB 1.270 31.844 30.300 0.456 0.000 1.133 67 R HN 0.658 nan 8.270 nan 0.000 0.450 68 D N 0.943 121.404 120.400 0.102 0.000 2.269 68 D HA 0.658 5.298 4.640 -0.000 0.000 0.244 68 D C -0.986 175.126 176.300 -0.313 0.000 0.992 68 D CA -0.219 53.765 54.000 -0.026 0.000 0.894 68 D CB 2.077 42.852 40.800 -0.041 0.000 1.248 68 D HN 0.567 nan 8.370 nan 0.000 0.468 69 A N 1.088 123.650 122.820 -0.430 0.000 2.574 69 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 69 A C -1.410 175.995 177.584 -0.298 0.000 1.062 69 A CA -0.610 51.110 52.037 -0.529 0.000 0.686 69 A CB 0.988 19.361 19.000 -1.045 0.000 1.285 69 A HN 0.504 nan 8.150 nan 0.000 0.403 70 I N 2.366 122.805 120.570 -0.218 0.000 2.410 70 I HA 0.377 4.547 4.170 -0.000 0.000 0.286 70 I C -0.926 175.127 176.117 -0.106 0.000 1.009 70 I CA -0.283 60.932 61.300 -0.142 0.000 1.111 70 I CB 1.544 39.480 38.000 -0.107 0.000 1.262 70 I HN 0.496 nan 8.210 nan 0.000 0.443 71 I N 7.009 127.512 120.570 -0.112 0.000 2.359 71 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 71 I C -0.183 175.916 176.117 -0.029 0.000 0.987 71 I CA -0.360 60.918 61.300 -0.036 0.000 1.225 71 I CB 1.500 39.489 38.000 -0.018 0.000 1.366 71 I HN 0.379 nan 8.210 nan 0.000 0.466 72 I N 6.335 126.923 120.570 0.030 0.000 2.377 72 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 72 I C 0.048 176.154 176.117 -0.018 0.000 0.987 72 I CA -0.651 60.645 61.300 -0.007 0.000 1.185 72 I CB 1.348 39.337 38.000 -0.018 0.000 1.341 72 I HN 0.490 nan 8.210 nan 0.000 0.455 73 R N 5.748 126.198 120.500 -0.083 0.000 2.343 73 R HA 0.621 4.961 4.340 -0.000 0.000 0.320 73 R C -1.617 174.573 176.300 -0.183 0.000 0.956 73 R CA -0.546 55.405 56.100 -0.249 0.000 0.836 73 R CB 1.815 32.007 30.300 -0.180 0.000 1.151 73 R HN 0.390 nan 8.270 nan 0.000 0.450 74 V N 4.465 124.246 119.914 -0.222 0.000 2.409 74 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 74 V C -0.293 175.718 176.094 -0.139 0.000 1.020 74 V CA -0.727 61.493 62.300 -0.133 0.000 0.848 74 V CB 1.729 33.499 31.823 -0.088 0.000 0.990 74 V HN 0.749 nan 8.190 nan 0.000 0.430 75 E N 2.458 122.603 120.200 -0.091 0.000 2.204 75 E HA 0.600 4.950 4.350 -0.000 0.000 0.276 75 E C -0.129 176.442 176.600 -0.048 0.000 0.974 75 E CA -0.521 55.837 56.400 -0.069 0.000 0.815 75 E CB 2.042 31.714 29.700 -0.047 0.000 1.119 75 E HN 0.825 nan 8.360 nan 0.000 0.393 76 T N -1.786 112.743 114.554 -0.041 0.000 2.937 76 T HA 0.193 4.543 4.350 -0.000 0.000 0.283 76 T C 1.204 175.890 174.700 -0.023 0.000 1.012 76 T CA -0.411 61.669 62.100 -0.033 0.000 0.997 76 T CB 1.455 70.302 68.868 -0.035 0.000 1.136 76 T HN 0.405 nan 8.240 nan 0.000 0.551 77 S N -0.361 115.327 115.700 -0.021 0.000 2.423 77 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 77 S C 1.046 175.638 174.600 -0.013 0.000 1.014 77 S CA 0.528 58.719 58.200 -0.016 0.000 0.965 77 S CB -0.624 62.567 63.200 -0.016 0.000 0.785 77 S HN 0.806 nan 8.310 nan 0.000 0.495 78 E N 0.806 120.997 120.200 -0.015 0.000 2.423 78 E HA 0.350 4.700 4.350 -0.000 0.000 0.198 78 E C 1.048 177.642 176.600 -0.010 0.000 1.038 78 E CA 0.094 56.486 56.400 -0.012 0.000 1.011 78 E CB 0.018 29.710 29.700 -0.014 0.000 1.118 78 E HN 0.678 nan 8.360 nan 0.000 0.451 79 G N 1.569 110.363 108.800 -0.010 0.000 2.234 79 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 79 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 79 G C 0.419 175.317 174.900 -0.004 0.000 0.987 79 G CA -0.019 45.078 45.100 -0.005 0.000 0.625 79 G HN 0.313 nan 8.290 nan 0.000 0.532 80 I N 2.164 122.728 120.570 -0.010 0.000 2.556 80 I HA 0.364 4.534 4.170 -0.000 0.000 0.284 80 I C 0.344 176.447 176.117 -0.023 0.000 1.114 80 I CA 0.336 61.631 61.300 -0.008 0.000 1.418 80 I CB 1.043 39.036 38.000 -0.012 0.000 1.394 80 I HN 0.011 nan 8.210 nan 0.000 0.552 81 T N 4.755 119.299 114.554 -0.016 0.000 2.792 81 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 81 T C 0.184 174.833 174.700 -0.086 0.000 0.990 81 T CA -0.630 61.424 62.100 -0.077 0.000 0.960 81 T CB 1.634 70.464 68.868 -0.063 0.000 0.939 81 T HN 0.822 nan 8.240 nan 0.000 0.439 82 G N 1.559 110.252 108.800 -0.178 0.000 2.432 82 G HA2 0.670 4.630 3.960 -0.000 0.000 0.331 82 G HA3 0.670 4.630 3.960 -0.000 0.000 0.331 82 G C -1.779 172.954 174.900 -0.278 0.000 1.170 82 G CA -0.535 44.502 45.100 -0.104 0.000 0.943 82 G HN 0.611 nan 8.290 nan 0.000 0.483 83 Y N -0.454 119.859 120.300 0.023 0.000 2.425 83 Y HA 0.648 5.198 4.550 -0.000 0.000 0.344 83 Y C 0.697 176.622 175.900 0.042 0.000 0.969 83 Y CA -0.298 57.819 58.100 0.028 0.000 1.052 83 Y CB 2.840 41.298 38.460 -0.003 0.000 1.215 83 Y HN 0.846 nan 8.280 nan 0.000 0.451 84 G N 1.184 110.093 108.800 0.183 0.000 2.733 84 G HA2 0.584 4.544 3.960 -0.000 0.000 0.288 84 G HA3 0.584 4.544 3.960 -0.000 0.000 0.288 84 G C -1.877 173.091 174.900 0.114 0.000 1.373 84 G CA -0.780 44.400 45.100 0.133 0.000 0.895 84 G HN 0.439 nan 8.290 nan 0.000 0.479 85 E N -0.371 119.879 120.200 0.083 0.000 2.241 85 E HA 0.563 4.913 4.350 -0.000 0.000 0.263 85 E C -0.705 175.920 176.600 0.043 0.000 0.882 85 E CA -0.775 55.654 56.400 0.048 0.000 0.769 85 E CB 1.838 31.557 29.700 0.032 0.000 1.185 85 E HN 0.676 nan 8.360 nan 0.000 0.415 86 A N 4.287 127.118 122.820 0.018 0.000 2.312 86 A HA 0.298 4.618 4.320 -0.000 0.000 0.326 86 A C -0.488 177.120 177.584 0.040 0.000 1.172 86 A CA -0.589 51.471 52.037 0.037 0.000 0.821 86 A CB 0.716 19.718 19.000 0.003 0.000 1.166 86 A HN 0.763 nan 8.150 nan 0.000 0.493 87 H N 2.705 121.782 119.070 0.012 0.000 2.764 87 H HA 0.137 4.693 4.556 -0.000 0.000 0.341 87 H C -1.787 173.542 175.328 0.001 0.000 1.072 87 H CA -1.060 54.999 56.048 0.020 0.000 1.444 87 H CB 1.368 31.174 29.762 0.073 0.000 1.458 87 H HN 0.325 nan 8.280 nan 0.000 0.572 88 P HA 0.028 nan 4.420 nan 0.000 0.229 88 P C 0.573 177.855 177.300 -0.031 0.000 1.160 88 P CA 1.241 64.238 63.100 -0.173 0.000 0.777 88 P CB 0.248 31.812 31.700 -0.225 0.000 0.814 89 G N 1.145 110.023 108.800 0.130 0.000 2.283 89 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.280 89 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.280 89 G C 0.556 175.531 174.900 0.126 0.000 1.029 89 G CA 0.307 45.544 45.100 0.227 0.000 0.840 89 G HN 0.229 nan 8.290 nan 0.000 0.505 90 R N -2.445 118.124 120.500 0.116 0.000 4.010 90 R HA -0.225 4.115 4.340 -0.000 0.000 0.409 90 R C 0.579 176.918 176.300 0.065 0.000 1.120 90 R CA 1.639 57.805 56.100 0.110 0.000 1.244 90 R CB -2.395 27.987 30.300 0.136 0.000 1.799 90 R HN 1.376 nan 8.270 nan 0.000 0.559 91 S N -0.010 115.713 115.700 0.038 0.000 2.488 91 S HA 0.329 4.799 4.470 -0.000 0.000 0.151 91 S C -1.686 172.917 174.600 0.005 0.000 1.401 91 S CA -0.964 57.249 58.200 0.022 0.000 1.221 91 S CB 1.105 64.317 63.200 0.020 0.000 1.407 91 S HN -0.039 nan 8.310 nan 0.000 0.406 92 P HA 0.033 nan 4.420 nan 0.000 0.222 92 P C 1.607 178.900 177.300 -0.012 0.000 1.147 92 P CA 0.943 64.030 63.100 -0.022 0.000 0.790 92 P CB -0.199 31.482 31.700 -0.032 0.000 0.780 93 G N 0.569 109.370 108.800 0.002 0.000 2.432 93 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 93 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 93 G C 1.738 176.642 174.900 0.007 0.000 1.135 93 G CA 0.851 45.957 45.100 0.011 0.000 0.767 93 G HN 0.369 nan 8.290 nan 0.000 0.550 94 A N 0.439 123.258 122.820 -0.002 0.000 1.897 94 A HA 0.162 4.482 4.320 -0.000 0.000 0.215 94 A C 2.296 179.867 177.584 -0.022 0.000 1.181 94 A CA 1.119 53.150 52.037 -0.009 0.000 0.620 94 A CB -0.234 18.760 19.000 -0.011 0.000 0.821 94 A HN 0.290 nan 8.150 nan 0.000 0.443 95 I N -0.152 120.400 120.570 -0.030 0.000 2.286 95 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 95 I C 2.547 178.620 176.117 -0.074 0.000 1.104 95 I CA 1.733 63.003 61.300 -0.049 0.000 1.397 95 I CB -0.525 37.450 38.000 -0.042 0.000 1.072 95 I HN 0.228 nan 8.210 nan 0.000 0.417 96 T N -0.610 113.908 114.554 -0.060 0.000 2.635 96 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 96 T C 2.149 176.829 174.700 -0.033 0.000 1.040 96 T CA 2.022 64.080 62.100 -0.070 0.000 1.156 96 T CB -0.499 68.384 68.868 0.026 0.000 0.863 96 T HN 0.345 nan 8.240 nan 0.000 0.430 97 S N 0.788 116.503 115.700 0.026 0.000 2.368 97 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 97 S C 2.031 176.637 174.600 0.010 0.000 1.030 97 S CA 1.091 59.320 58.200 0.049 0.000 0.999 97 S CB -0.524 62.694 63.200 0.030 0.000 0.844 97 S HN 0.332 nan 8.310 nan 0.000 0.459 98 L N 1.475 122.681 121.223 -0.029 0.000 2.042 98 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 98 L C 1.968 178.799 176.870 -0.065 0.000 1.076 98 L CA 1.727 56.540 54.840 -0.045 0.000 0.749 98 L CB -0.671 41.354 42.059 -0.057 0.000 0.893 98 L HN 0.434 nan 8.230 nan 0.000 0.432 99 I N -1.112 119.388 120.570 -0.116 0.000 2.133 99 I HA -0.310 3.860 4.170 -0.000 0.000 0.238 99 I C 2.322 178.368 176.117 -0.119 0.000 1.074 99 I CA 1.610 62.811 61.300 -0.164 0.000 1.342 99 I CB -0.496 37.338 38.000 -0.277 0.000 1.053 99 I HN 0.326 nan 8.210 nan 0.000 0.404 100 H N 0.360 119.415 119.070 -0.025 0.000 2.456 100 H HA -0.067 4.489 4.556 -0.000 0.000 0.296 100 H C 1.695 177.011 175.328 -0.021 0.000 1.079 100 H CA 1.204 57.239 56.048 -0.021 0.000 1.322 100 H CB 0.088 29.840 29.762 -0.018 0.000 1.388 100 H HN 0.344 nan 8.280 nan 0.000 0.538 101 N N -1.206 117.545 118.700 0.085 0.000 2.414 101 N HA 0.016 4.756 4.740 -0.000 0.000 0.177 101 N C 0.906 176.422 175.510 0.010 0.000 1.062 101 N CA 1.013 54.087 53.050 0.040 0.000 0.890 101 N CB 0.884 39.388 38.487 0.029 0.000 1.070 101 N HN 0.266 nan 8.380 nan 0.000 0.454 102 T N 0.198 114.749 114.554 -0.006 0.000 3.232 102 T HA 0.340 4.690 4.350 -0.000 0.000 0.259 102 T C 2.009 176.690 174.700 -0.032 0.000 0.987 102 T CA -0.130 61.957 62.100 -0.022 0.000 1.096 102 T CB 0.547 69.396 68.868 -0.031 0.000 1.131 102 T HN -0.080 nan 8.240 nan 0.000 0.445 103 I N 1.899 122.442 120.570 -0.045 0.000 2.333 103 I HA 0.034 4.204 4.170 -0.000 0.000 0.246 103 I C 2.968 179.058 176.117 -0.045 0.000 1.106 103 I CA 0.895 62.161 61.300 -0.057 0.000 1.411 103 I CB -0.374 37.579 38.000 -0.078 0.000 1.082 103 I HN 0.223 nan 8.210 nan 0.000 0.420 104 A N 1.765 124.562 122.820 -0.038 0.000 1.865 104 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 104 A C -0.021 177.557 177.584 -0.010 0.000 1.191 104 A CA 1.884 53.908 52.037 -0.021 0.000 0.623 104 A CB -2.024 16.975 19.000 -0.000 0.000 0.826 104 A HN 0.263 nan 8.150 nan 0.000 0.444 105 P HA -0.167 nan 4.420 nan 0.000 0.218 105 P C 1.690 178.983 177.300 -0.011 0.000 1.148 105 P CA 1.649 64.746 63.100 -0.005 0.000 0.822 105 P CB -0.282 31.416 31.700 -0.003 0.000 0.784 106 M N -3.128 116.462 119.600 -0.018 0.000 2.619 106 M HA 0.078 4.558 4.480 -0.000 0.000 0.251 106 M C 0.924 177.213 176.300 -0.017 0.000 1.106 106 M CA 1.707 56.995 55.300 -0.019 0.000 1.086 106 M CB -0.563 32.021 32.600 -0.027 0.000 1.465 106 M HN -0.105 nan 8.290 nan 0.000 0.506 107 L N 0.155 121.367 121.223 -0.018 0.000 2.781 107 L HA 0.349 4.689 4.340 -0.000 0.000 0.245 107 L C 0.333 177.194 176.870 -0.015 0.000 1.118 107 L CA -0.569 54.262 54.840 -0.016 0.000 0.918 107 L CB 0.320 42.367 42.059 -0.020 0.000 1.246 107 L HN 0.198 nan 8.230 nan 0.000 0.526 108 I N 1.648 122.211 120.570 -0.013 0.000 2.598 108 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 108 I C 1.435 177.545 176.117 -0.011 0.000 1.140 108 I CA 1.118 62.411 61.300 -0.011 0.000 1.420 108 I CB 0.084 38.080 38.000 -0.007 0.000 1.387 108 I HN 0.393 nan 8.210 nan 0.000 0.553 109 G N 5.733 114.525 108.800 -0.013 0.000 2.232 109 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 109 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 109 G C 0.465 175.357 174.900 -0.014 0.000 0.996 109 G CA -0.369 44.723 45.100 -0.012 0.000 0.626 109 G HN 0.460 nan 8.290 nan 0.000 0.509 110 M N 0.839 120.430 119.600 -0.015 0.000 2.240 110 M HA 0.243 4.723 4.480 -0.000 0.000 0.333 110 M C 0.865 177.150 176.300 -0.024 0.000 1.110 110 M CA 0.085 55.375 55.300 -0.016 0.000 1.173 110 M CB 0.680 33.272 32.600 -0.014 0.000 1.458 110 M HN 0.157 nan 8.290 nan 0.000 0.458 111 K N 1.204 121.588 120.400 -0.027 0.000 2.416 111 K HA 0.157 4.477 4.320 -0.000 0.000 0.283 111 K C 0.571 177.140 176.600 -0.052 0.000 1.037 111 K CA -0.074 56.191 56.287 -0.037 0.000 0.995 111 K CB 0.784 33.263 32.500 -0.036 0.000 0.938 111 K HN 0.804 nan 8.250 nan 0.000 0.475 112 A N 3.024 125.808 122.820 -0.060 0.000 2.119 112 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 112 A C 1.669 179.182 177.584 -0.118 0.000 1.153 112 A CA 1.660 53.652 52.037 -0.076 0.000 0.692 112 A CB -0.421 18.539 19.000 -0.066 0.000 0.799 112 A HN 0.898 nan 8.150 nan 0.000 0.458 113 T N -3.270 111.208 114.554 -0.126 0.000 3.065 113 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 113 T C 0.564 175.144 174.700 -0.200 0.000 1.099 113 T CA 0.655 62.643 62.100 -0.186 0.000 1.063 113 T CB -0.184 68.593 68.868 -0.151 0.000 0.948 113 T HN 0.248 nan 8.240 nan 0.000 0.506 114 D N 1.785 122.108 120.400 -0.128 0.000 2.688 114 D HA 0.140 4.780 4.640 -0.000 0.000 0.228 114 D C 1.481 177.734 176.300 -0.077 0.000 1.116 114 D CA -0.559 53.386 54.000 -0.091 0.000 1.023 114 D CB -0.621 40.152 40.800 -0.046 0.000 1.100 114 D HN 0.533 nan 8.370 nan 0.000 0.487 115 C N -0.528 118.687 119.300 -0.142 0.000 2.495 115 C HA 0.088 4.548 4.460 -0.000 0.000 0.275 115 C C 2.310 177.346 174.990 0.076 0.000 1.392 115 C CA -0.255 58.721 59.018 -0.070 0.000 1.766 115 C CB -0.980 26.621 27.740 -0.233 0.000 1.933 115 C HN 0.323 nan 8.230 nan 0.000 0.519 116 V N 2.397 122.336 119.914 0.041 0.000 2.307 116 V HA 0.014 4.134 4.120 -0.000 0.000 0.245 116 V C 2.985 179.169 176.094 0.150 0.000 1.045 116 V CA 2.487 64.847 62.300 0.098 0.000 1.024 116 V CB -1.482 30.366 31.823 0.043 0.000 0.651 116 V HN 0.648 nan 8.190 nan 0.000 0.449 117 G N -0.628 108.226 108.800 0.090 0.000 2.421 117 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 117 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 117 G C 1.717 176.678 174.900 0.102 0.000 1.143 117 G CA 0.915 46.069 45.100 0.089 0.000 0.784 117 G HN 0.585 nan 8.290 nan 0.000 0.541 118 A N -0.099 122.780 122.820 0.098 0.000 1.930 118 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 118 A C 2.122 179.784 177.584 0.129 0.000 1.175 118 A CA 1.338 53.426 52.037 0.085 0.000 0.627 118 A CB -0.632 18.404 19.000 0.061 0.000 0.815 118 A HN 0.499 nan 8.150 nan 0.000 0.443 119 W N 0.397 121.721 121.300 0.041 0.000 2.388 119 W HA -0.127 4.533 4.660 -0.000 0.000 0.294 119 W C 2.310 178.889 176.519 0.100 0.000 1.212 119 W CA 1.637 59.023 57.345 0.068 0.000 1.271 119 W CB 0.139 29.640 29.460 0.067 0.000 1.126 119 W HN 0.285 nan 8.180 nan 0.000 0.535 120 Q N 0.051 120.073 119.800 0.370 0.000 2.224 120 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 120 Q C 2.076 178.181 176.000 0.177 0.000 0.970 120 Q CA 1.383 57.373 55.803 0.313 0.000 0.865 120 Q CB -0.418 28.469 28.738 0.247 0.000 0.922 120 Q HN 0.446 nan 8.270 nan 0.000 0.445 121 R N -0.435 120.117 120.500 0.086 0.000 2.075 121 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 121 R C 2.312 178.589 176.300 -0.039 0.000 1.126 121 R CA 1.157 57.270 56.100 0.022 0.000 0.963 121 R CB -0.165 30.140 30.300 0.008 0.000 0.858 121 R HN 0.054 nan 8.270 nan 0.000 0.435 122 V N 0.171 120.021 119.914 -0.107 0.000 2.548 122 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 122 V C 2.139 178.101 176.094 -0.219 0.000 1.055 122 V CA 1.966 64.142 62.300 -0.206 0.000 1.065 122 V CB -0.673 30.945 31.823 -0.341 0.000 0.681 122 V HN 0.362 nan 8.190 nan 0.000 0.462 123 H N 1.985 120.876 119.070 -0.297 0.000 2.353 123 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 123 H C 2.421 177.707 175.328 -0.070 0.000 1.090 123 H CA 2.421 58.360 56.048 -0.181 0.000 1.327 123 H CB -0.051 29.738 29.762 0.045 0.000 1.383 123 H HN 0.526 nan 8.280 nan 0.000 0.508 124 R N -1.262 119.129 120.500 -0.181 0.000 2.161 124 R HA 0.055 4.395 4.340 -0.000 0.000 0.213 124 R C 1.489 177.702 176.300 -0.146 0.000 1.055 124 R CA 1.271 57.244 56.100 -0.212 0.000 0.996 124 R CB -0.102 30.156 30.300 -0.070 0.000 0.901 124 R HN 0.243 nan 8.270 nan 0.000 0.456 125 M N 0.108 119.643 119.600 -0.109 0.000 2.510 125 M HA 0.140 4.620 4.480 -0.000 0.000 0.256 125 M C 1.531 177.780 176.300 -0.086 0.000 1.132 125 M CA 1.238 56.490 55.300 -0.080 0.000 1.105 125 M CB 0.655 33.218 32.600 -0.062 0.000 1.375 125 M HN 0.111 nan 8.290 nan 0.000 0.477 126 Q N -1.648 118.079 119.800 -0.122 0.000 2.563 126 Q HA 0.306 4.646 4.340 -0.000 0.000 0.236 126 Q C 1.828 177.751 176.000 -0.128 0.000 0.792 126 Q CA 0.558 56.293 55.803 -0.114 0.000 0.960 126 Q CB 0.441 29.106 28.738 -0.121 0.000 1.304 126 Q HN 0.377 nan 8.270 nan 0.000 0.566 127 L N 1.108 122.236 121.223 -0.158 0.000 2.209 127 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 127 L C 2.347 179.124 176.870 -0.154 0.000 1.094 127 L CA 1.452 56.225 54.840 -0.112 0.000 0.790 127 L CB -0.282 41.772 42.059 -0.009 0.000 0.932 127 L HN 0.147 nan 8.230 nan 0.000 0.447 128 S N -2.539 112.989 115.700 -0.287 0.000 2.406 128 S HA 0.059 4.529 4.470 -0.000 0.000 0.224 128 S C 0.939 175.403 174.600 -0.227 0.000 1.030 128 S CA -0.099 57.917 58.200 -0.308 0.000 0.958 128 S CB 0.198 63.130 63.200 -0.447 0.000 0.811 128 S HN 0.185 nan 8.310 nan 0.000 0.489 129 S N -0.393 115.189 115.700 -0.197 0.000 2.541 129 S HA 0.509 4.979 4.470 -0.000 0.000 0.271 129 S C -1.076 173.444 174.600 -0.134 0.000 1.133 129 S CA -0.730 57.330 58.200 -0.234 0.000 0.876 129 S CB 0.866 63.983 63.200 -0.138 0.000 1.105 129 S HN 0.591 nan 8.310 nan 0.000 0.470 130 H N -0.226 118.800 119.070 -0.073 0.000 2.740 130 H HA -0.201 4.355 4.556 -0.000 0.000 0.306 130 H C 0.740 176.030 175.328 -0.063 0.000 1.096 130 H CA 1.124 57.135 56.048 -0.062 0.000 1.155 130 H CB -1.217 28.512 29.762 -0.055 0.000 1.367 130 H HN 0.606 nan 8.280 nan 0.000 0.387 131 G N -1.035 107.759 108.800 -0.010 0.000 2.971 131 G HA2 0.508 4.468 3.960 -0.000 0.000 0.235 131 G HA3 0.508 4.468 3.960 -0.000 0.000 0.235 131 G C 0.615 175.487 174.900 -0.047 0.000 1.351 131 G CA -0.701 44.380 45.100 -0.031 0.000 1.039 131 G HN 0.141 nan 8.290 nan 0.000 0.563 132 L N 0.480 121.665 121.223 -0.063 0.000 2.558 132 L HA 0.248 4.588 4.340 -0.000 0.000 0.225 132 L C 2.143 178.956 176.870 -0.095 0.000 1.128 132 L CA 1.302 56.099 54.840 -0.072 0.000 0.868 132 L CB -0.223 41.792 42.059 -0.074 0.000 1.006 132 L HN 1.034 nan 8.230 nan 0.000 0.454 133 G N 0.310 109.053 108.800 -0.097 0.000 2.815 133 G HA2 -0.499 3.461 3.960 -0.000 0.000 0.326 133 G HA3 -0.499 3.461 3.960 -0.000 0.000 0.326 133 G C 1.166 175.974 174.900 -0.153 0.000 1.191 133 G CA 0.722 45.761 45.100 -0.101 0.000 0.965 133 G HN 0.406 nan 8.290 nan 0.000 0.564 134 A N 0.353 123.028 122.820 -0.243 0.000 1.972 134 A HA 0.312 4.632 4.320 -0.000 0.000 0.219 134 A C 2.881 180.177 177.584 -0.480 0.000 1.169 134 A CA 2.477 54.182 52.037 -0.554 0.000 0.635 134 A CB -1.056 17.476 19.000 -0.780 0.000 0.810 134 A HN 2.025 nan 8.150 nan 0.000 0.446 135 G N -0.628 108.009 108.800 -0.272 0.000 2.422 135 G HA2 0.063 4.023 3.960 -0.000 0.000 0.218 135 G HA3 0.063 4.023 3.960 -0.000 0.000 0.218 135 G C 1.632 176.450 174.900 -0.138 0.000 1.140 135 G CA 1.175 46.169 45.100 -0.177 0.000 0.775 135 G HN 0.742 nan 8.290 nan 0.000 0.545 136 A N 0.984 123.720 122.820 -0.139 0.000 1.968 136 A HA 0.420 4.740 4.320 -0.000 0.000 0.217 136 A C 2.743 180.254 177.584 -0.121 0.000 1.169 136 A CA 1.808 53.770 52.037 -0.125 0.000 0.638 136 A CB -0.536 18.384 19.000 -0.133 0.000 0.812 136 A HN 0.635 nan 8.150 nan 0.000 0.446 137 A N 0.100 122.856 122.820 -0.108 0.000 1.902 137 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 137 A C 2.109 179.719 177.584 0.043 0.000 1.181 137 A CA 1.444 53.478 52.037 -0.004 0.000 0.623 137 A CB -0.594 18.455 19.000 0.081 0.000 0.818 137 A HN 0.477 nan 8.150 nan 0.000 0.443 138 L N -0.788 120.426 121.223 -0.016 0.000 2.046 138 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 138 L C 3.058 179.946 176.870 0.030 0.000 1.077 138 L CA 1.084 55.950 54.840 0.044 0.000 0.747 138 L CB -0.653 41.423 42.059 0.029 0.000 0.896 138 L HN 0.412 nan 8.230 nan 0.000 0.432 139 A N 0.184 122.991 122.820 -0.021 0.000 1.855 139 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 139 A C 2.215 179.784 177.584 -0.025 0.000 1.191 139 A CA 1.668 53.681 52.037 -0.039 0.000 0.613 139 A CB -0.657 18.300 19.000 -0.073 0.000 0.829 139 A HN 0.287 nan 8.150 nan 0.000 0.442 140 I N 0.048 120.595 120.570 -0.037 0.000 2.614 140 I HA -0.107 4.063 4.170 -0.000 0.000 0.258 140 I C 2.331 178.510 176.117 0.103 0.000 1.189 140 I CA 1.310 62.599 61.300 -0.019 0.000 1.462 140 I CB -0.400 37.492 38.000 -0.181 0.000 1.092 140 I HN 0.216 nan 8.210 nan 0.000 0.442 141 S N 0.456 116.231 115.700 0.125 0.000 2.359 141 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 141 S C 2.029 176.702 174.600 0.122 0.000 1.035 141 S CA 1.450 59.743 58.200 0.156 0.000 1.018 141 S CB -0.968 62.318 63.200 0.143 0.000 0.876 141 S HN 0.670 nan 8.310 nan 0.000 0.448 142 G N 1.020 109.871 108.800 0.084 0.000 2.394 142 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.215 142 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.215 142 G C 1.363 176.305 174.900 0.070 0.000 1.165 142 G CA 0.444 45.585 45.100 0.068 0.000 0.784 142 G HN 0.468 nan 8.290 nan 0.000 0.535 143 I N 0.764 121.367 120.570 0.055 0.000 2.179 143 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 143 I C 2.427 178.602 176.117 0.097 0.000 1.088 143 I CA 1.588 62.915 61.300 0.046 0.000 1.357 143 I CB -0.204 37.805 38.000 0.014 0.000 1.051 143 I HN 0.148 nan 8.210 nan 0.000 0.409 144 D N 0.733 121.232 120.400 0.165 0.000 2.104 144 D HA -0.283 4.357 4.640 -0.000 0.000 0.194 144 D C 2.293 178.793 176.300 0.332 0.000 0.994 144 D CA 1.521 55.683 54.000 0.270 0.000 0.830 144 D CB -0.041 40.981 40.800 0.370 0.000 0.959 144 D HN 0.186 nan 8.370 nan 0.000 0.452 145 M N -0.242 119.501 119.600 0.238 0.000 2.108 145 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 145 M C 1.986 178.403 176.300 0.196 0.000 1.066 145 M CA 1.915 57.337 55.300 0.204 0.000 1.107 145 M CB -0.032 32.641 32.600 0.123 0.000 1.356 145 M HN 0.143 nan 8.290 nan 0.000 0.406 146 A N 0.154 123.055 122.820 0.136 0.000 1.969 146 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 146 A C 1.981 179.603 177.584 0.064 0.000 1.169 146 A CA 1.144 53.231 52.037 0.084 0.000 0.635 146 A CB -0.827 18.185 19.000 0.020 0.000 0.810 146 A HN 0.587 nan 8.150 nan 0.000 0.445 147 L N -2.718 118.544 121.223 0.065 0.000 2.141 147 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 147 L C 2.464 179.299 176.870 -0.059 0.000 1.094 147 L CA 0.956 55.782 54.840 -0.023 0.000 0.763 147 L CB -0.380 41.639 42.059 -0.066 0.000 0.908 147 L HN 0.607 nan 8.230 nan 0.000 0.437 148 W N 0.359 121.661 121.300 0.003 0.000 2.436 148 W HA -0.174 4.486 4.660 -0.000 0.000 0.284 148 W C 2.296 178.800 176.519 -0.025 0.000 1.225 148 W CA 1.069 58.408 57.345 -0.009 0.000 1.271 148 W CB -0.159 29.298 29.460 -0.006 0.000 1.114 148 W HN 0.189 nan 8.180 nan 0.000 0.559 149 D N 0.234 120.750 120.400 0.194 0.000 2.144 149 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 149 D C 1.890 178.223 176.300 0.057 0.000 0.984 149 D CA 1.428 55.493 54.000 0.108 0.000 0.834 149 D CB -0.227 40.642 40.800 0.115 0.000 0.955 149 D HN 0.076 nan 8.370 nan 0.000 0.465 150 I N -0.065 120.520 120.570 0.025 0.000 2.179 150 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 150 I C 2.543 178.642 176.117 -0.029 0.000 1.088 150 I CA 0.963 62.254 61.300 -0.014 0.000 1.357 150 I CB -0.129 37.845 38.000 -0.043 0.000 1.051 150 I HN -0.049 nan 8.210 nan 0.000 0.409 151 R N 0.361 120.829 120.500 -0.054 0.000 2.096 151 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 151 R C 2.363 178.652 176.300 -0.017 0.000 1.127 151 R CA 1.391 57.441 56.100 -0.083 0.000 0.968 151 R CB -0.651 29.520 30.300 -0.216 0.000 0.861 151 R HN 0.474 nan 8.270 nan 0.000 0.440 152 G N 0.956 109.772 108.800 0.027 0.000 2.402 152 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 152 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 152 G C 1.183 176.077 174.900 -0.010 0.000 1.162 152 G CA 0.450 45.556 45.100 0.011 0.000 0.777 152 G HN 0.228 nan 8.290 nan 0.000 0.539 153 K N 0.477 120.875 120.400 -0.003 0.000 2.148 153 K HA 0.130 4.450 4.320 -0.000 0.000 0.204 153 K C 2.831 179.425 176.600 -0.009 0.000 1.050 153 K CA 0.873 57.158 56.287 -0.002 0.000 0.942 153 K CB -0.107 32.398 32.500 0.009 0.000 0.724 153 K HN 0.266 nan 8.250 nan 0.000 0.446 154 A N 1.020 123.830 122.820 -0.017 0.000 1.968 154 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 154 A C 2.148 179.719 177.584 -0.022 0.000 1.169 154 A CA 1.489 53.513 52.037 -0.023 0.000 0.638 154 A CB -0.282 18.697 19.000 -0.035 0.000 0.812 154 A HN 0.289 nan 8.150 nan 0.000 0.446 155 A N -1.183 121.624 122.820 -0.022 0.000 2.218 155 A HA 0.246 4.566 4.320 -0.000 0.000 0.209 155 A C 0.909 178.483 177.584 -0.018 0.000 1.168 155 A CA 0.685 52.711 52.037 -0.019 0.000 0.804 155 A CB -0.487 18.503 19.000 -0.017 0.000 0.834 155 A HN 0.604 nan 8.150 nan 0.000 0.482 156 N N -1.230 117.460 118.700 -0.017 0.000 2.725 156 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 156 N C -0.522 174.970 175.510 -0.030 0.000 1.031 156 N CA 1.094 54.133 53.050 -0.018 0.000 0.720 156 N CB -1.279 37.201 38.487 -0.011 0.000 0.930 156 N HN 0.590 nan 8.380 nan 0.000 0.543 157 M N 0.145 119.718 119.600 -0.046 0.000 2.457 157 M HA 0.465 4.945 4.480 -0.000 0.000 0.300 157 M C -2.332 173.892 176.300 -0.128 0.000 1.141 157 M CA -1.854 53.394 55.300 -0.088 0.000 0.901 157 M CB 2.576 35.129 32.600 -0.078 0.000 1.687 157 M HN -0.109 nan 8.290 nan 0.000 0.449 158 P HA 0.044 nan 4.420 nan 0.000 0.272 158 P C 0.357 177.450 177.300 -0.346 0.000 1.230 158 P CA -0.356 62.580 63.100 -0.273 0.000 0.788 158 P CB 0.927 32.424 31.700 -0.340 0.000 0.949 159 L N 2.636 123.625 121.223 -0.389 0.000 2.131 159 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 159 L C 2.582 179.443 176.870 -0.014 0.000 1.092 159 L CA 1.836 56.536 54.840 -0.234 0.000 0.759 159 L CB -1.614 40.209 42.059 -0.393 0.000 0.903 159 L HN 0.420 nan 8.230 nan 0.000 0.435 160 Y N -1.269 119.174 120.300 0.239 0.000 2.274 160 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 160 Y C 2.311 178.260 175.900 0.082 0.000 1.145 160 Y CA 1.513 59.710 58.100 0.161 0.000 1.203 160 Y CB -1.032 37.520 38.460 0.154 0.000 0.984 160 Y HN 0.373 nan 8.280 nan 0.000 0.533 161 E N 0.564 120.576 120.200 -0.313 0.000 2.112 161 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 161 E C 2.138 178.714 176.600 -0.040 0.000 0.979 161 E CA 0.613 56.915 56.400 -0.162 0.000 0.814 161 E CB -0.190 29.312 29.700 -0.330 0.000 0.762 161 E HN 0.598 nan 8.360 nan 0.000 0.460 162 L N 0.588 121.791 121.223 -0.033 0.000 2.141 162 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 162 L C 1.925 178.871 176.870 0.127 0.000 1.094 162 L CA 0.924 55.807 54.840 0.071 0.000 0.763 162 L CB 0.024 42.166 42.059 0.138 0.000 0.908 162 L HN 0.304 nan 8.230 nan 0.000 0.437 163 L N -1.255 120.019 121.223 0.086 0.000 2.509 163 L HA 0.142 4.481 4.340 -0.000 0.000 0.222 163 L C 1.401 178.303 176.870 0.053 0.000 1.123 163 L CA 0.694 55.570 54.840 0.060 0.000 0.856 163 L CB -0.076 41.976 42.059 -0.012 0.000 0.985 163 L HN 0.459 nan 8.230 nan 0.000 0.456 164 G N -0.531 108.307 108.800 0.063 0.000 2.163 164 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 164 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 164 G C 0.434 175.370 174.900 0.061 0.000 0.991 164 G CA -0.282 44.850 45.100 0.053 0.000 0.653 164 G HN 0.480 nan 8.290 nan 0.000 0.518 165 G N -0.273 108.586 108.800 0.098 0.000 2.583 165 G HA2 0.845 4.805 3.960 -0.000 0.000 0.280 165 G HA3 0.845 4.805 3.960 -0.000 0.000 0.280 165 G C 0.319 175.331 174.900 0.186 0.000 1.376 165 G CA 0.672 45.831 45.100 0.098 0.000 1.043 165 G HN 1.611 nan 8.290 nan 0.000 0.538 166 S N -1.660 114.095 115.700 0.090 0.000 2.671 166 S HA 0.518 4.988 4.470 -0.000 0.000 0.299 166 S C -0.502 173.869 174.600 -0.381 0.000 1.116 166 S CA -0.854 57.362 58.200 0.027 0.000 0.912 166 S CB 1.983 65.174 63.200 -0.015 0.000 1.130 166 S HN 0.624 nan 8.310 nan 0.000 0.501 167 K N 1.624 121.641 120.400 -0.638 0.000 2.294 167 K HA 0.157 4.477 4.320 -0.000 0.000 0.288 167 K C -0.037 176.343 176.600 -0.368 0.000 1.072 167 K CA -0.165 55.646 56.287 -0.793 0.000 0.960 167 K CB -0.033 32.115 32.500 -0.588 0.000 1.043 167 K HN 0.773 nan 8.250 nan 0.000 0.455 168 R N 2.638 122.945 120.500 -0.322 0.000 2.867 168 R HA 0.454 4.794 4.340 -0.000 0.000 0.268 168 R C -0.843 175.356 176.300 -0.169 0.000 1.014 168 R CA -1.212 54.772 56.100 -0.195 0.000 0.946 168 R CB 0.912 31.122 30.300 -0.150 0.000 1.208 168 R HN 0.248 nan 8.270 nan 0.000 0.477 169 R N 1.813 122.242 120.500 -0.119 0.000 2.288 169 R HA 0.286 4.626 4.340 -0.000 0.000 0.330 169 R C -0.419 175.835 176.300 -0.076 0.000 1.069 169 R CA -0.242 55.803 56.100 -0.092 0.000 0.941 169 R CB -0.154 30.107 30.300 -0.066 0.000 0.998 169 R HN 0.525 nan 8.270 nan 0.000 0.452 170 I N 5.818 126.346 120.570 -0.070 0.000 2.339 170 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 170 I C -2.009 174.138 176.117 0.050 0.000 0.994 170 I CA -2.366 58.915 61.300 -0.032 0.000 1.191 170 I CB 1.775 39.742 38.000 -0.055 0.000 1.343 170 I HN 0.204 nan 8.210 nan 0.000 0.458 171 P HA 0.186 nan 4.420 nan 0.000 0.267 171 P C -0.948 176.603 177.300 0.419 0.000 1.200 171 P CA -0.135 63.079 63.100 0.190 0.000 0.772 171 P CB 0.761 32.505 31.700 0.074 0.000 0.855 172 A N 2.809 125.896 122.820 0.444 0.000 2.454 172 A HA 0.750 5.070 4.320 -0.000 0.000 0.302 172 A C -1.496 176.329 177.584 0.401 0.000 1.079 172 A CA -0.565 51.731 52.037 0.432 0.000 0.731 172 A CB 0.988 20.219 19.000 0.385 0.000 1.299 172 A HN 0.582 nan 8.150 nan 0.000 0.413 173 Y N -0.615 119.740 120.300 0.092 0.000 2.524 173 Y HA 0.779 5.329 4.550 -0.000 0.000 0.344 173 Y C 0.151 175.905 175.900 -0.244 0.000 1.012 173 Y CA -1.140 56.897 58.100 -0.104 0.000 1.068 173 Y CB 1.491 39.662 38.460 -0.482 0.000 1.249 173 Y HN 0.875 nan 8.280 nan 0.000 0.468 174 A N 2.201 124.742 122.820 -0.465 0.000 2.444 174 A HA 0.575 4.895 4.320 -0.000 0.000 0.287 174 A C 0.458 177.789 177.584 -0.421 0.000 1.195 174 A CA 0.604 52.106 52.037 -0.891 0.000 0.858 174 A CB -1.070 17.132 19.000 -1.330 0.000 1.117 174 A HN 1.226 nan 8.150 nan 0.000 0.521 175 G N 1.241 109.774 108.800 -0.446 0.000 3.392 175 G HA2 0.739 4.699 3.960 -0.000 0.000 0.185 175 G HA3 0.739 4.699 3.960 -0.000 0.000 0.185 175 G C 0.718 175.487 174.900 -0.219 0.000 1.206 175 G CA 0.157 45.125 45.100 -0.220 0.000 0.776 175 G HN 2.119 nan 8.290 nan 0.000 0.697 176 G N -0.499 108.199 108.800 -0.170 0.000 2.601 176 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.252 176 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.252 176 G C 0.143 175.038 174.900 -0.007 0.000 1.294 176 G CA 0.055 45.101 45.100 -0.090 0.000 0.912 176 G HN 0.991 nan 8.290 nan 0.000 0.574 177 I N 2.169 122.759 120.570 0.034 0.000 2.204 177 I HA 0.568 4.738 4.170 -0.000 0.000 0.285 177 I C 1.088 177.232 176.117 0.045 0.000 1.112 177 I CA 0.721 62.066 61.300 0.076 0.000 1.502 177 I CB -1.413 36.675 38.000 0.146 0.000 1.499 177 I HN 1.043 nan 8.210 nan 0.000 0.661 178 A N 3.335 126.156 122.820 0.001 0.000 2.530 178 A HA 0.789 5.109 4.320 -0.000 0.000 0.288 178 A C 0.498 178.096 177.584 0.023 0.000 1.172 178 A CA -0.635 51.405 52.037 0.005 0.000 0.733 178 A CB 1.210 20.186 19.000 -0.041 0.000 1.320 178 A HN 0.410 nan 8.150 nan 0.000 0.419 179 L N -0.733 120.536 121.223 0.077 0.000 3.678 179 L HA -0.234 4.106 4.340 -0.000 0.000 0.425 179 L C 1.051 177.937 176.870 0.026 0.000 1.240 179 L CA 0.191 55.077 54.840 0.078 0.000 0.876 179 L CB -1.902 40.212 42.059 0.091 0.000 1.766 179 L HN 1.117 nan 8.230 nan 0.000 0.917 180 G N -1.218 107.579 108.800 -0.004 0.000 2.494 180 G HA2 0.313 4.273 3.960 -0.000 0.000 0.270 180 G HA3 0.313 4.273 3.960 -0.000 0.000 0.270 180 G C -0.421 174.475 174.900 -0.007 0.000 1.423 180 G CA -0.527 44.501 45.100 -0.121 0.000 1.055 180 G HN 0.259 nan 8.290 nan 0.000 0.536 181 Y N 0.982 121.316 120.300 0.057 0.000 2.436 181 Y HA 0.350 4.900 4.550 -0.000 0.000 0.336 181 Y C 0.976 176.902 175.900 0.043 0.000 1.049 181 Y CA -0.409 57.717 58.100 0.044 0.000 1.294 181 Y CB 0.264 38.746 38.460 0.038 0.000 1.179 181 Y HN 0.527 nan 8.280 nan 0.000 0.520 182 Q N 2.683 122.599 119.800 0.193 0.000 2.633 182 Q HA 0.473 4.813 4.340 -0.000 0.000 0.289 182 Q C -3.289 172.755 176.000 0.073 0.000 0.940 182 Q CA -2.657 53.212 55.803 0.110 0.000 0.785 182 Q CB 1.504 30.295 28.738 0.088 0.000 1.467 182 Q HN 0.228 nan 8.270 nan 0.000 0.401 183 P HA -0.105 nan 4.420 nan 0.000 0.264 183 P C -0.022 177.272 177.300 -0.010 0.000 1.179 183 P CA 0.230 63.332 63.100 0.003 0.000 0.763 183 P CB 0.571 32.266 31.700 -0.007 0.000 0.806 184 K N 3.452 123.819 120.400 -0.056 0.000 2.152 184 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 184 K C 1.166 177.717 176.600 -0.082 0.000 1.048 184 K CA 1.390 57.630 56.287 -0.078 0.000 0.933 184 K CB -0.269 32.125 32.500 -0.177 0.000 0.721 184 K HN 0.409 nan 8.250 nan 0.000 0.447 185 E N 1.449 121.563 120.200 -0.142 0.000 2.107 185 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 185 E C 1.853 178.477 176.600 0.040 0.000 0.982 185 E CA 1.148 57.532 56.400 -0.026 0.000 0.809 185 E CB -0.295 29.375 29.700 -0.051 0.000 0.756 185 E HN 0.310 nan 8.360 nan 0.000 0.459 186 S N 1.479 117.188 115.700 0.015 0.000 2.406 186 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 186 S C 1.881 176.495 174.600 0.024 0.000 1.020 186 S CA 0.318 58.529 58.200 0.018 0.000 0.965 186 S CB -0.135 63.075 63.200 0.017 0.000 0.798 186 S HN 0.182 nan 8.310 nan 0.000 0.488 187 L N 1.478 122.727 121.223 0.044 0.000 2.156 187 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 187 L C 2.413 179.316 176.870 0.056 0.000 1.095 187 L CA 1.429 56.302 54.840 0.056 0.000 0.770 187 L CB -1.102 41.004 42.059 0.079 0.000 0.914 187 L HN 0.342 nan 8.230 nan 0.000 0.439 188 A N -0.248 122.628 122.820 0.094 0.000 1.930 188 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 188 A C 2.018 179.608 177.584 0.011 0.000 1.175 188 A CA 1.386 53.473 52.037 0.083 0.000 0.627 188 A CB -0.322 18.785 19.000 0.178 0.000 0.815 188 A HN 0.513 nan 8.150 nan 0.000 0.443 189 E N -0.602 119.598 120.200 0.001 0.000 2.106 189 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 189 E C 2.008 178.534 176.600 -0.123 0.000 0.984 189 E CA 1.086 57.460 56.400 -0.044 0.000 0.806 189 E CB -0.077 29.606 29.700 -0.027 0.000 0.750 189 E HN 0.775 nan 8.360 nan 0.000 0.458 190 E N 0.362 120.477 120.200 -0.142 0.000 2.106 190 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 190 E C 1.984 178.291 176.600 -0.487 0.000 0.984 190 E CA 0.854 57.070 56.400 -0.306 0.000 0.806 190 E CB -0.007 29.593 29.700 -0.165 0.000 0.750 190 E HN 0.231 nan 8.360 nan 0.000 0.458 191 A N 0.764 123.475 122.820 -0.181 0.000 1.898 191 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 191 A C 2.030 179.569 177.584 -0.076 0.000 1.181 191 A CA 1.393 53.398 52.037 -0.053 0.000 0.620 191 A CB -0.450 18.563 19.000 0.022 0.000 0.819 191 A HN 0.280 nan 8.150 nan 0.000 0.442 192 Q N -0.883 118.859 119.800 -0.096 0.000 2.170 192 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 192 Q C 2.059 178.008 176.000 -0.085 0.000 0.976 192 Q CA 1.491 57.256 55.803 -0.063 0.000 0.858 192 Q CB -0.126 28.579 28.738 -0.054 0.000 0.907 192 Q HN 0.837 nan 8.270 nan 0.000 0.433 193 E N -0.291 119.784 120.200 -0.208 0.000 2.110 193 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 193 E C 1.251 177.786 176.600 -0.110 0.000 0.988 193 E CA 0.967 57.232 56.400 -0.225 0.000 0.804 193 E CB 0.116 29.584 29.700 -0.387 0.000 0.745 193 E HN 0.401 nan 8.360 nan 0.000 0.458 194 Y N 0.115 120.432 120.300 0.027 0.000 2.286 194 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 194 Y C 2.064 178.088 175.900 0.207 0.000 1.124 194 Y CA 0.500 58.650 58.100 0.083 0.000 1.178 194 Y CB -0.254 38.143 38.460 -0.105 0.000 1.010 194 Y HN 0.076 nan 8.280 nan 0.000 0.536 195 I N -0.408 120.310 120.570 0.247 0.000 2.315 195 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 195 I C 2.514 178.707 176.117 0.127 0.000 1.117 195 I CA 1.061 62.470 61.300 0.182 0.000 1.404 195 I CB -0.623 37.441 38.000 0.106 0.000 1.071 195 I HN 0.117 nan 8.210 nan 0.000 0.419 196 A N 0.958 123.834 122.820 0.093 0.000 1.972 196 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 196 A C 2.299 179.930 177.584 0.079 0.000 1.169 196 A CA 1.345 53.419 52.037 0.060 0.000 0.635 196 A CB -0.499 18.518 19.000 0.027 0.000 0.810 196 A HN 0.349 nan 8.150 nan 0.000 0.446 197 R N -1.594 118.994 120.500 0.147 0.000 2.310 197 R HA 0.175 4.515 4.340 -0.000 0.000 0.202 197 R C 1.191 177.537 176.300 0.076 0.000 0.933 197 R CA 0.580 56.771 56.100 0.151 0.000 1.054 197 R CB -0.013 30.456 30.300 0.283 0.000 0.985 197 R HN 0.698 nan 8.270 nan 0.000 0.489 198 G N -0.133 108.712 108.800 0.075 0.000 2.184 198 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.206 198 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.206 198 G C -0.240 174.629 174.900 -0.052 0.000 0.995 198 G CA -0.585 44.501 45.100 -0.022 0.000 0.651 198 G HN 0.259 nan 8.290 nan 0.000 0.511 199 Y N 0.790 121.137 120.300 0.079 0.000 2.442 199 Y HA 0.452 5.002 4.550 -0.000 0.000 0.330 199 Y C 1.580 177.522 175.900 0.070 0.000 1.129 199 Y CA 0.573 58.720 58.100 0.078 0.000 1.365 199 Y CB 1.037 39.542 38.460 0.076 0.000 1.233 199 Y HN 0.030 nan 8.280 nan 0.000 0.529 200 K N 1.960 122.481 120.400 0.202 0.000 2.374 200 K HA 0.440 4.760 4.320 -0.000 0.000 0.196 200 K C -0.301 176.379 176.600 0.133 0.000 1.023 200 K CA 0.168 56.543 56.287 0.146 0.000 1.103 200 K CB 0.677 33.251 32.500 0.123 0.000 0.848 200 K HN 0.600 nan 8.250 nan 0.000 0.528 201 A N 0.617 123.528 122.820 0.152 0.000 2.572 201 A HA 0.738 5.058 4.320 -0.000 0.000 0.295 201 A C -1.846 175.730 177.584 -0.013 0.000 1.072 201 A CA -0.928 51.109 52.037 -0.001 0.000 0.691 201 A CB 1.101 20.002 19.000 -0.165 0.000 1.291 201 A HN 0.094 nan 8.150 nan 0.000 0.404 202 L N -1.473 119.670 121.223 -0.133 0.000 2.518 202 L HA 0.773 5.113 4.340 -0.000 0.000 0.257 202 L C -0.633 176.116 176.870 -0.200 0.000 0.980 202 L CA -0.751 54.019 54.840 -0.116 0.000 0.837 202 L CB 1.949 43.981 42.059 -0.044 0.000 1.410 202 L HN 0.636 nan 8.230 nan 0.000 0.410 203 K N 1.600 121.936 120.400 -0.107 0.000 2.449 203 K HA 0.626 4.946 4.320 -0.000 0.000 0.257 203 K C -1.336 175.237 176.600 -0.045 0.000 0.989 203 K CA -0.651 55.556 56.287 -0.133 0.000 0.916 203 K CB 0.920 33.399 32.500 -0.035 0.000 1.136 203 K HN 0.605 nan 8.250 nan 0.000 0.439 204 L N 4.275 125.469 121.223 -0.049 0.000 2.367 204 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 204 L C 0.318 177.204 176.870 0.026 0.000 1.129 204 L CA 0.184 55.028 54.840 0.007 0.000 0.839 204 L CB 0.677 42.746 42.059 0.016 0.000 1.133 204 L HN 0.470 nan 8.230 nan 0.000 0.453 205 R N 5.311 125.832 120.500 0.035 0.000 2.248 205 R HA 0.452 4.792 4.340 -0.000 0.000 0.328 205 R C -0.162 176.244 176.300 0.177 0.000 1.067 205 R CA -0.236 55.877 56.100 0.022 0.000 0.924 205 R CB 0.084 30.305 30.300 -0.132 0.000 1.013 205 R HN 0.685 nan 8.270 nan 0.000 0.454 206 I N -2.595 118.077 120.570 0.170 0.000 3.133 206 I HA 0.817 4.987 4.170 -0.000 0.000 0.311 206 I C 0.758 176.930 176.117 0.091 0.000 1.072 206 I CA -0.809 60.614 61.300 0.205 0.000 1.015 206 I CB 2.260 40.326 38.000 0.110 0.000 1.233 206 I HN 0.569 nan 8.210 nan 0.000 0.473 207 G N 1.533 110.266 108.800 -0.113 0.000 2.159 207 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.170 207 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.170 207 G C 0.175 174.975 174.900 -0.166 0.000 1.007 207 G CA 0.302 45.186 45.100 -0.360 0.000 0.672 207 G HN 0.938 nan 8.290 nan 0.000 0.507 208 D N 0.290 120.456 120.400 -0.391 0.000 2.201 208 D HA 0.534 5.174 4.640 -0.000 0.000 0.209 208 D C 1.141 177.341 176.300 -0.166 0.000 0.961 208 D CA 1.329 55.080 54.000 -0.414 0.000 0.861 208 D CB -0.057 40.211 40.800 -0.886 0.000 0.997 208 D HN 1.393 nan 8.370 nan 0.000 0.486 209 A N -0.646 122.105 122.820 -0.115 0.000 2.547 209 A HA 0.667 4.987 4.320 -0.000 0.000 0.297 209 A C 0.688 178.293 177.584 0.035 0.000 1.056 209 A CA -0.179 51.848 52.037 -0.017 0.000 0.688 209 A CB 1.513 20.485 19.000 -0.047 0.000 1.282 209 A HN 0.152 nan 8.150 nan 0.000 0.400 210 A N 1.422 124.268 122.820 0.043 0.000 1.873 210 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 210 A C 2.081 179.665 177.584 -0.000 0.000 1.193 210 A CA 2.194 54.234 52.037 0.005 0.000 0.629 210 A CB -0.539 18.418 19.000 -0.071 0.000 0.826 210 A HN 0.910 nan 8.150 nan 0.000 0.447 211 R N -0.509 119.985 120.500 -0.011 0.000 2.073 211 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 211 R C 2.225 178.521 176.300 -0.007 0.000 1.134 211 R CA 2.003 58.096 56.100 -0.012 0.000 0.952 211 R CB -0.499 29.791 30.300 -0.015 0.000 0.850 211 R HN 0.571 nan 8.270 nan 0.000 0.433 212 V N -0.252 119.652 119.914 -0.016 0.000 2.427 212 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 212 V C 1.304 177.397 176.094 -0.002 0.000 1.051 212 V CA 2.112 64.399 62.300 -0.021 0.000 1.048 212 V CB -0.626 31.168 31.823 -0.049 0.000 0.666 212 V HN 0.440 nan 8.190 nan 0.000 0.456 213 D N -0.365 120.043 120.400 0.013 0.000 2.349 213 D HA 0.045 4.685 4.640 -0.000 0.000 0.215 213 D C 1.759 178.098 176.300 0.065 0.000 1.016 213 D CA 0.570 54.602 54.000 0.053 0.000 0.870 213 D CB -0.442 40.408 40.800 0.083 0.000 0.917 213 D HN 0.492 nan 8.370 nan 0.000 0.524 214 I N 0.620 121.216 120.570 0.043 0.000 2.233 214 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 214 I C 2.544 178.682 176.117 0.035 0.000 1.093 214 I CA 1.063 62.382 61.300 0.032 0.000 1.380 214 I CB -0.141 37.865 38.000 0.011 0.000 1.067 214 I HN 0.043 nan 8.210 nan 0.000 0.413 215 E N 1.205 121.422 120.200 0.027 0.000 2.077 215 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 215 E C 2.364 178.995 176.600 0.052 0.000 0.989 215 E CA 1.282 57.699 56.400 0.029 0.000 0.800 215 E CB 0.091 29.794 29.700 0.005 0.000 0.746 215 E HN 0.370 nan 8.360 nan 0.000 0.452 216 R N -0.139 120.392 120.500 0.052 0.000 2.066 216 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 216 R C 2.507 178.867 176.300 0.100 0.000 1.131 216 R CA 1.224 57.370 56.100 0.077 0.000 0.955 216 R CB -0.302 30.043 30.300 0.075 0.000 0.851 216 R HN 0.097 nan 8.270 nan 0.000 0.432 217 V N 1.041 121.000 119.914 0.076 0.000 2.407 217 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 217 V C 2.307 178.432 176.094 0.051 0.000 1.055 217 V CA 1.661 63.996 62.300 0.059 0.000 1.049 217 V CB -0.379 31.474 31.823 0.050 0.000 0.662 217 V HN 0.295 nan 8.190 nan 0.000 0.455 218 R N -1.040 119.497 120.500 0.061 0.000 2.092 218 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 218 R C 2.276 178.616 176.300 0.067 0.000 1.119 218 R CA 1.704 57.835 56.100 0.053 0.000 0.970 218 R CB -0.410 29.921 30.300 0.052 0.000 0.864 218 R HN 0.635 nan 8.270 nan 0.000 0.440 219 H N 0.242 119.315 119.070 0.006 0.000 2.423 219 H HA -0.016 4.540 4.556 -0.000 0.000 0.297 219 H C 1.801 177.131 175.328 0.004 0.000 1.075 219 H CA 1.257 57.309 56.048 0.005 0.000 1.342 219 H CB 0.167 29.933 29.762 0.008 0.000 1.395 219 H HN -0.104 nan 8.280 nan 0.000 0.530 220 V N 0.628 120.555 119.914 0.022 0.000 2.307 220 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 220 V C 2.616 178.671 176.094 -0.065 0.000 1.045 220 V CA 1.691 63.976 62.300 -0.026 0.000 1.024 220 V CB -0.395 31.445 31.823 0.027 0.000 0.651 220 V HN 0.389 nan 8.190 nan 0.000 0.449 221 R N 0.191 120.666 120.500 -0.043 0.000 2.105 221 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 221 R C 2.341 178.601 176.300 -0.067 0.000 1.135 221 R CA 1.663 57.737 56.100 -0.045 0.000 0.967 221 R CB -0.401 29.884 30.300 -0.026 0.000 0.861 221 R HN 0.475 nan 8.270 nan 0.000 0.442 222 K N 0.248 120.587 120.400 -0.101 0.000 2.057 222 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 222 K C 1.896 178.406 176.600 -0.150 0.000 1.050 222 K CA 1.469 57.682 56.287 -0.123 0.000 0.935 222 K CB 0.126 32.535 32.500 -0.152 0.000 0.715 222 K HN 0.170 nan 8.250 nan 0.000 0.439 223 V N -1.724 118.063 119.914 -0.212 0.000 3.354 223 V HA 0.085 4.205 4.120 -0.000 0.000 0.258 223 V C 1.377 177.416 176.094 -0.091 0.000 1.159 223 V CA 0.731 62.928 62.300 -0.171 0.000 1.125 223 V CB -0.130 31.556 31.823 -0.229 0.000 0.774 223 V HN 0.150 nan 8.190 nan 0.000 0.464 224 L N 0.959 122.138 121.223 -0.073 0.000 2.638 224 L HA 0.647 4.987 4.340 -0.000 0.000 0.232 224 L C 1.325 178.179 176.870 -0.028 0.000 1.099 224 L CA 0.513 55.330 54.840 -0.039 0.000 0.883 224 L CB -0.279 41.764 42.059 -0.027 0.000 1.136 224 L HN 0.601 nan 8.230 nan 0.000 0.492 225 G N 2.003 110.782 108.800 -0.035 0.000 2.828 225 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.463 225 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.463 225 G C -0.545 174.343 174.900 -0.019 0.000 1.394 225 G CA -0.035 45.050 45.100 -0.024 0.000 0.862 225 G HN 0.472 nan 8.290 nan 0.000 0.540 226 D N -0.386 120.006 120.400 -0.014 0.000 2.889 226 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 226 D C 0.948 177.245 176.300 -0.005 0.000 1.270 226 D CA 0.022 54.015 54.000 -0.011 0.000 0.838 226 D CB 0.692 41.486 40.800 -0.010 0.000 1.040 226 D HN 0.428 nan 8.370 nan 0.000 0.480 227 E N -0.238 119.961 120.200 -0.001 0.000 2.490 227 E HA 0.107 4.457 4.350 -0.000 0.000 0.209 227 E C 0.026 176.635 176.600 0.015 0.000 0.971 227 E CA 0.048 56.452 56.400 0.008 0.000 0.988 227 E CB 1.368 31.074 29.700 0.010 0.000 1.029 227 E HN 0.182 nan 8.360 nan 0.000 0.496 228 V N 2.642 122.560 119.914 0.006 0.000 2.407 228 V HA 0.125 4.245 4.120 -0.000 0.000 0.278 228 V C -0.059 176.023 176.094 -0.021 0.000 1.037 228 V CA -0.828 61.477 62.300 0.007 0.000 0.900 228 V CB 1.513 33.340 31.823 0.007 0.000 0.983 228 V HN -0.074 nan 8.190 nan 0.000 0.459 229 D N 4.783 125.169 120.400 -0.023 0.000 2.398 229 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 229 D C 0.035 176.217 176.300 -0.196 0.000 1.287 229 D CA 0.129 54.079 54.000 -0.085 0.000 0.992 229 D CB 0.078 40.863 40.800 -0.025 0.000 1.071 229 D HN 0.430 nan 8.370 nan 0.000 0.514 230 I N 4.849 125.314 120.570 -0.176 0.000 2.379 230 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 230 I C 0.229 176.145 176.117 -0.334 0.000 1.063 230 I CA -0.369 60.807 61.300 -0.207 0.000 1.351 230 I CB 0.498 38.428 38.000 -0.116 0.000 1.410 230 I HN 0.139 nan 8.210 nan 0.000 0.505 231 L N 6.186 127.120 121.223 -0.481 0.000 2.334 231 L HA 0.653 4.993 4.340 -0.000 0.000 0.272 231 L C 0.220 176.869 176.870 -0.367 0.000 1.020 231 L CA -0.597 53.819 54.840 -0.706 0.000 0.812 231 L CB 1.898 43.173 42.059 -1.307 0.000 1.264 231 L HN 0.560 nan 8.230 nan 0.000 0.439 232 T N -2.823 111.587 114.554 -0.239 0.000 2.893 232 T HA 0.575 4.926 4.350 -0.000 0.000 0.291 232 T C -1.204 173.553 174.700 0.096 0.000 1.028 232 T CA -0.764 61.318 62.100 -0.030 0.000 0.995 232 T CB 2.376 71.258 68.868 0.022 0.000 1.051 232 T HN 0.464 nan 8.240 nan 0.000 0.470 233 D N 0.633 121.077 120.400 0.073 0.000 2.788 233 D HA 0.575 5.215 4.640 -0.000 0.000 0.247 233 D C 0.416 176.703 176.300 -0.023 0.000 1.236 233 D CA -0.699 53.346 54.000 0.076 0.000 0.898 233 D CB 1.933 42.799 40.800 0.110 0.000 1.401 233 D HN 0.666 nan 8.370 nan 0.000 0.549 234 A N 3.505 126.255 122.820 -0.116 0.000 2.195 234 A HA 0.087 4.407 4.320 -0.000 0.000 0.210 234 A C 0.758 178.210 177.584 -0.221 0.000 1.165 234 A CA 0.021 51.860 52.037 -0.331 0.000 0.806 234 A CB -0.247 18.352 19.000 -0.667 0.000 0.847 234 A HN 0.723 nan 8.150 nan 0.000 0.482 235 N N 0.686 119.320 118.700 -0.111 0.000 2.705 235 N HA -0.205 4.535 4.740 -0.000 0.000 0.255 235 N C 0.456 175.915 175.510 -0.084 0.000 1.008 235 N CA 1.744 54.750 53.050 -0.072 0.000 0.742 235 N CB -1.926 36.532 38.487 -0.048 0.000 0.906 235 N HN 1.239 nan 8.380 nan 0.000 0.541 236 T N -5.921 108.578 114.554 -0.091 0.000 4.543 236 T HA -0.298 4.052 4.350 -0.000 0.000 0.313 236 T C 0.739 175.415 174.700 -0.039 0.000 1.051 236 T CA 2.018 64.090 62.100 -0.047 0.000 2.160 236 T CB -1.704 67.164 68.868 -0.000 0.000 1.904 236 T HN 0.825 nan 8.240 nan 0.000 0.924 237 A N -0.889 121.865 122.820 -0.112 0.000 2.288 237 A HA 0.516 4.836 4.320 -0.000 0.000 0.216 237 A C 0.656 178.256 177.584 0.026 0.000 1.199 237 A CA -0.306 51.696 52.037 -0.059 0.000 0.891 237 A CB 0.248 19.201 19.000 -0.079 0.000 0.923 237 A HN 0.795 nan 8.150 nan 0.000 0.500 238 Y N 1.375 121.646 120.300 -0.049 0.000 2.336 238 Y HA 0.300 4.850 4.550 -0.000 0.000 0.331 238 Y C 1.515 177.500 175.900 0.141 0.000 1.211 238 Y CA -0.010 58.074 58.100 -0.027 0.000 1.346 238 Y CB 0.976 39.337 38.460 -0.165 0.000 1.271 238 Y HN 0.288 nan 8.280 nan 0.000 0.538 239 T N -0.880 113.864 114.554 0.317 0.000 2.884 239 T HA 0.151 4.501 4.350 -0.000 0.000 0.277 239 T C 0.770 175.638 174.700 0.280 0.000 0.976 239 T CA -0.909 61.342 62.100 0.252 0.000 0.956 239 T CB 1.094 70.023 68.868 0.103 0.000 1.113 239 T HN 0.700 nan 8.240 nan 0.000 0.554 240 M N 0.934 120.607 119.600 0.122 0.000 2.175 240 M HA 0.215 4.695 4.480 -0.000 0.000 0.264 240 M C 2.274 178.582 176.300 0.014 0.000 1.063 240 M CA 1.757 57.095 55.300 0.062 0.000 1.119 240 M CB -1.502 31.047 32.600 -0.085 0.000 1.377 240 M HN 0.861 nan 8.290 nan 0.000 0.415 241 A N -0.203 122.612 122.820 -0.009 0.000 1.933 241 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 241 A C 1.883 179.422 177.584 -0.074 0.000 1.175 241 A CA 2.044 54.060 52.037 -0.035 0.000 0.628 241 A CB -0.975 18.009 19.000 -0.026 0.000 0.814 241 A HN 0.539 nan 8.150 nan 0.000 0.444 242 D N 0.136 120.476 120.400 -0.100 0.000 2.117 242 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 242 D C 2.264 178.313 176.300 -0.418 0.000 0.987 242 D CA 1.507 55.349 54.000 -0.263 0.000 0.829 242 D CB -0.441 40.176 40.800 -0.305 0.000 0.961 242 D HN 0.423 nan 8.370 nan 0.000 0.460 243 A N 1.706 124.344 122.820 -0.305 0.000 1.902 243 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 243 A C 2.060 179.560 177.584 -0.140 0.000 1.181 243 A CA 1.656 53.547 52.037 -0.243 0.000 0.623 243 A CB -0.590 18.409 19.000 -0.002 0.000 0.818 243 A HN 0.338 nan 8.150 nan 0.000 0.443 244 R N -1.031 119.418 120.500 -0.085 0.000 2.316 244 R HA 0.079 4.419 4.340 -0.000 0.000 0.202 244 R C 1.984 178.244 176.300 -0.067 0.000 1.029 244 R CA 1.173 57.240 56.100 -0.055 0.000 1.018 244 R CB -0.229 30.050 30.300 -0.034 0.000 0.888 244 R HN 0.453 nan 8.270 nan 0.000 0.471 245 R N 0.432 120.869 120.500 -0.104 0.000 2.146 245 R HA 0.108 4.448 4.340 -0.000 0.000 0.206 245 R C 1.831 178.072 176.300 -0.099 0.000 1.049 245 R CA 0.469 56.513 56.100 -0.093 0.000 1.029 245 R CB 0.366 30.605 30.300 -0.101 0.000 0.949 245 R HN 0.068 nan 8.270 nan 0.000 0.471 246 V N 1.074 120.891 119.914 -0.161 0.000 2.446 246 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 246 V C 2.153 178.211 176.094 -0.060 0.000 1.039 246 V CA 0.908 63.130 62.300 -0.130 0.000 1.045 246 V CB -0.227 31.446 31.823 -0.249 0.000 0.681 246 V HN 0.265 nan 8.190 nan 0.000 0.459 247 L N 0.300 121.487 121.223 -0.061 0.000 2.043 247 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 247 L C 0.191 177.060 176.870 -0.001 0.000 1.075 247 L CA 2.523 57.356 54.840 -0.012 0.000 0.752 247 L CB -2.645 39.413 42.059 -0.000 0.000 0.891 247 L HN 0.332 nan 8.230 nan 0.000 0.432 248 P HA -0.120 nan 4.420 nan 0.000 0.217 248 P C 2.008 179.308 177.300 -0.001 0.000 1.150 248 P CA 1.375 64.473 63.100 -0.004 0.000 0.832 248 P CB -0.090 31.604 31.700 -0.010 0.000 0.787 249 V N -2.995 116.916 119.914 -0.004 0.000 2.719 249 V HA -0.111 4.009 4.120 -0.000 0.000 0.252 249 V C 1.909 178.008 176.094 0.008 0.000 1.065 249 V CA 1.434 63.736 62.300 0.003 0.000 1.086 249 V CB -1.434 30.391 31.823 0.003 0.000 0.700 249 V HN -0.096 nan 8.190 nan 0.000 0.467 250 L N 1.230 122.461 121.223 0.012 0.000 2.109 250 L HA 0.197 4.537 4.340 -0.000 0.000 0.207 250 L C 2.854 179.733 176.870 0.014 0.000 1.086 250 L CA 2.160 57.011 54.840 0.017 0.000 0.760 250 L CB -1.344 40.734 42.059 0.032 0.000 0.910 250 L HN 0.414 nan 8.230 nan 0.000 0.437 251 A N -1.110 121.719 122.820 0.016 0.000 1.930 251 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 251 A C 2.324 179.914 177.584 0.010 0.000 1.175 251 A CA 1.527 53.574 52.037 0.016 0.000 0.627 251 A CB -0.485 18.526 19.000 0.018 0.000 0.815 251 A HN 0.491 nan 8.150 nan 0.000 0.443 252 E N 0.290 120.494 120.200 0.007 0.000 2.077 252 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 252 E C 1.698 178.299 176.600 0.002 0.000 0.989 252 E CA 1.675 58.078 56.400 0.004 0.000 0.800 252 E CB -0.249 29.453 29.700 0.004 0.000 0.746 252 E HN 0.762 nan 8.360 nan 0.000 0.452 253 I N -1.364 119.206 120.570 0.001 0.000 3.684 253 I HA 0.075 4.245 4.170 -0.000 0.000 0.304 253 I C 0.113 176.223 176.117 -0.011 0.000 1.278 253 I CA 0.136 61.433 61.300 -0.005 0.000 1.272 253 I CB -0.039 37.958 38.000 -0.005 0.000 1.029 253 I HN 0.011 nan 8.210 nan 0.000 0.458 254 Q N 0.915 120.712 119.800 -0.006 0.000 2.453 254 Q HA -0.185 4.155 4.340 -0.000 0.000 0.330 254 Q C 0.336 176.322 176.000 -0.023 0.000 1.417 254 Q CA 0.317 56.116 55.803 -0.006 0.000 0.902 254 Q CB -1.552 27.183 28.738 -0.004 0.000 1.154 254 Q HN 0.802 nan 8.270 nan 0.000 0.395 255 A N -0.314 122.490 122.820 -0.027 0.000 2.445 255 A HA 0.504 4.824 4.320 -0.000 0.000 0.242 255 A C 1.428 178.970 177.584 -0.070 0.000 1.075 255 A CA 0.357 52.352 52.037 -0.069 0.000 0.777 255 A CB 0.537 19.502 19.000 -0.058 0.000 1.013 255 A HN 0.593 nan 8.150 nan 0.000 0.493 256 G N 0.470 109.164 108.800 -0.176 0.000 2.408 256 G HA2 0.194 4.154 3.960 -0.000 0.000 0.217 256 G HA3 0.194 4.154 3.960 -0.000 0.000 0.217 256 G C 0.274 175.197 174.900 0.038 0.000 1.150 256 G CA 1.291 46.301 45.100 -0.151 0.000 0.776 256 G HN 1.308 nan 8.290 nan 0.000 0.542 257 W N -2.516 118.783 121.300 -0.001 0.000 3.059 257 W HA 0.634 5.294 4.660 -0.000 0.000 0.329 257 W C -2.090 174.435 176.519 0.009 0.000 1.246 257 W CA -2.131 55.224 57.345 0.017 0.000 1.190 257 W CB 0.478 29.957 29.460 0.031 0.000 1.423 257 W HN 0.047 nan 8.180 nan 0.000 0.571 258 L N 2.808 124.263 121.223 0.387 0.000 2.262 258 L HA 0.496 4.836 4.340 -0.000 0.000 0.288 258 L C -0.070 176.971 176.870 0.286 0.000 1.035 258 L CA -0.545 54.466 54.840 0.284 0.000 0.820 258 L CB 0.942 43.099 42.059 0.164 0.000 1.204 258 L HN 0.599 nan 8.230 nan 0.000 0.424 259 E N 4.567 124.961 120.200 0.323 0.000 2.200 259 E HA 0.158 4.508 4.350 -0.000 0.000 0.283 259 E C -0.586 176.057 176.600 0.071 0.000 1.015 259 E CA -0.270 56.230 56.400 0.166 0.000 0.819 259 E CB 0.511 30.353 29.700 0.237 0.000 1.081 259 E HN 0.657 nan 8.360 nan 0.000 0.397 260 E N 3.433 123.675 120.200 0.070 0.000 2.246 260 E HA -0.168 4.182 4.350 -0.000 0.000 0.173 260 E C -1.921 174.612 176.600 -0.111 0.000 1.532 260 E CA 0.020 56.463 56.400 0.071 0.000 0.672 260 E CB -0.311 29.414 29.700 0.041 0.000 1.078 260 E HN 0.541 nan 8.360 nan 0.000 0.338 261 P HA -0.056 nan 4.420 nan 0.000 0.225 261 P C 0.217 176.991 177.300 -0.877 0.000 1.156 261 P CA 1.271 63.945 63.100 -0.710 0.000 0.787 261 P CB 0.211 31.252 31.700 -1.099 0.000 0.802 262 F N -0.891 118.955 119.950 -0.173 0.000 2.691 262 F HA 0.663 5.190 4.527 -0.000 0.000 0.334 262 F C 0.662 176.476 175.800 0.023 0.000 1.107 262 F CA -1.881 56.037 58.000 -0.137 0.000 0.991 262 F CB 0.059 38.869 39.000 -0.317 0.000 1.400 262 F HN -0.295 nan 8.300 nan 0.000 0.503 263 A N -0.080 122.897 122.820 0.262 0.000 2.520 263 A HA 0.132 4.452 4.320 -0.000 0.000 0.235 263 A C 1.351 179.098 177.584 0.271 0.000 1.065 263 A CA 0.031 52.180 52.037 0.186 0.000 0.764 263 A CB -0.275 18.800 19.000 0.125 0.000 1.002 263 A HN 1.165 nan 8.150 nan 0.000 0.502 264 C N 0.842 120.209 119.300 0.111 0.000 2.410 264 C HA -0.106 4.354 4.460 -0.000 0.000 0.281 264 C C 1.572 176.589 174.990 0.045 0.000 1.318 264 C CA 1.017 60.014 59.018 -0.034 0.000 1.776 264 C CB -1.579 25.943 27.740 -0.362 0.000 1.942 264 C HN 0.909 nan 8.230 nan 0.000 0.508 265 N N -0.051 118.711 118.700 0.103 0.000 2.280 265 N HA 0.066 4.806 4.740 -0.000 0.000 0.192 265 N C -0.042 175.635 175.510 0.277 0.000 1.109 265 N CA 0.226 53.367 53.050 0.152 0.000 0.855 265 N CB -0.830 37.715 38.487 0.097 0.000 0.974 265 N HN 0.467 nan 8.380 nan 0.000 0.482 266 D N 0.912 121.486 120.400 0.290 0.000 2.608 266 D HA 0.004 4.644 4.640 -0.000 0.000 0.224 266 D C 0.681 177.108 176.300 0.212 0.000 1.123 266 D CA -0.577 53.530 54.000 0.179 0.000 1.030 266 D CB -0.545 40.305 40.800 0.084 0.000 1.093 266 D HN 0.319 nan 8.370 nan 0.000 0.497 267 F N 0.719 120.743 119.950 0.123 0.000 2.234 267 F HA -0.005 4.522 4.527 -0.000 0.000 0.299 267 F C 1.867 177.711 175.800 0.074 0.000 1.087 267 F CA 0.767 58.835 58.000 0.114 0.000 1.340 267 F CB -0.464 38.563 39.000 0.045 0.000 1.031 267 F HN 0.193 nan 8.300 nan 0.000 0.500 268 A N 0.130 122.387 122.820 -0.939 0.000 1.975 268 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 268 A C 2.274 179.610 177.584 -0.414 0.000 1.170 268 A CA 1.228 52.849 52.037 -0.693 0.000 0.656 268 A CB -0.978 17.489 19.000 -0.888 0.000 0.821 268 A HN 0.414 nan 8.150 nan 0.000 0.449 269 S N -1.391 113.998 115.700 -0.518 0.000 2.387 269 S HA -0.078 4.392 4.470 -0.000 0.000 0.226 269 S C 1.718 176.021 174.600 -0.494 0.000 1.026 269 S CA 0.994 58.732 58.200 -0.771 0.000 0.972 269 S CB -0.517 61.741 63.200 -1.569 0.000 0.814 269 S HN 0.670 nan 8.310 nan 0.000 0.477 270 Y N 2.195 122.404 120.300 -0.151 0.000 2.224 270 Y HA -0.186 4.364 4.550 -0.000 0.000 0.289 270 Y C 2.571 178.517 175.900 0.076 0.000 1.146 270 Y CA 1.558 59.730 58.100 0.119 0.000 1.182 270 Y CB -0.109 38.433 38.460 0.137 0.000 0.983 270 Y HN 0.276 nan 8.280 nan 0.000 0.524 271 R N -0.193 120.398 120.500 0.151 0.000 2.193 271 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 271 R C 1.503 177.836 176.300 0.056 0.000 1.055 271 R CA 1.230 57.394 56.100 0.106 0.000 0.995 271 R CB -0.231 30.122 30.300 0.089 0.000 0.893 271 R HN 0.139 nan 8.270 nan 0.000 0.459 272 E N 1.177 121.374 120.200 -0.005 0.000 2.230 272 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 272 E C 2.155 178.770 176.600 0.024 0.000 0.987 272 E CA 1.395 57.782 56.400 -0.022 0.000 0.841 272 E CB 0.301 29.943 29.700 -0.098 0.000 0.783 272 E HN 0.400 nan 8.360 nan 0.000 0.481 273 V N -0.746 119.216 119.914 0.080 0.000 2.667 273 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 273 V C 2.381 178.541 176.094 0.109 0.000 1.065 273 V CA 1.392 63.770 62.300 0.129 0.000 1.083 273 V CB -1.058 30.902 31.823 0.229 0.000 0.692 273 V HN 0.097 nan 8.190 nan 0.000 0.468 274 A N 0.749 123.639 122.820 0.117 0.000 2.024 274 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 274 A C 2.239 179.868 177.584 0.074 0.000 1.164 274 A CA 1.991 54.091 52.037 0.105 0.000 0.643 274 A CB -0.562 18.505 19.000 0.112 0.000 0.806 274 A HN 0.647 nan 8.150 nan 0.000 0.451 275 K N -0.614 119.821 120.400 0.059 0.000 2.486 275 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 275 K C 1.331 177.952 176.600 0.035 0.000 1.033 275 K CA 0.592 56.904 56.287 0.041 0.000 1.004 275 K CB -0.127 32.390 32.500 0.029 0.000 0.798 275 K HN 0.575 nan 8.250 nan 0.000 0.495 276 I N -0.176 120.418 120.570 0.041 0.000 2.206 276 I HA -0.105 4.065 4.170 -0.000 0.000 0.239 276 I C 1.209 177.344 176.117 0.030 0.000 1.078 276 I CA 0.754 62.072 61.300 0.030 0.000 1.367 276 I CB 0.225 38.243 38.000 0.029 0.000 1.078 276 I HN -0.029 nan 8.210 nan 0.000 0.413 277 T N 0.889 115.467 114.554 0.040 0.000 2.971 277 T HA 0.359 4.709 4.350 -0.000 0.000 0.304 277 T C -2.255 172.475 174.700 0.050 0.000 1.038 277 T CA -1.492 60.631 62.100 0.039 0.000 1.007 277 T CB 1.878 70.766 68.868 0.033 0.000 1.055 277 T HN -0.076 nan 8.240 nan 0.000 0.451 278 P HA 0.232 nan 4.420 nan 0.000 0.249 278 P C 1.251 178.582 177.300 0.051 0.000 1.229 278 P CA 0.152 63.282 63.100 0.050 0.000 0.788 278 P CB 0.183 31.907 31.700 0.041 0.000 1.072 279 L N -0.726 120.525 121.223 0.046 0.000 2.418 279 L HA 0.133 4.473 4.340 -0.000 0.000 0.218 279 L C 1.107 178.010 176.870 0.055 0.000 1.125 279 L CA 0.322 55.188 54.840 0.044 0.000 0.835 279 L CB 0.141 42.219 42.059 0.032 0.000 0.953 279 L HN -0.146 nan 8.230 nan 0.000 0.454 280 V N 1.353 121.308 119.914 0.069 0.000 2.525 280 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 280 V C -2.439 173.727 176.094 0.121 0.000 1.034 280 V CA -1.788 60.568 62.300 0.093 0.000 0.863 280 V CB 2.213 34.084 31.823 0.080 0.000 0.999 280 V HN -0.121 nan 8.190 nan 0.000 0.423 281 P HA 0.399 nan 4.420 nan 0.000 0.276 281 P C -0.770 176.646 177.300 0.193 0.000 1.244 281 P CA -0.394 62.803 63.100 0.163 0.000 0.801 281 P CB 1.010 32.811 31.700 0.168 0.000 1.006 282 I N 0.620 121.294 120.570 0.173 0.000 2.396 282 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 282 I C 0.678 176.871 176.117 0.128 0.000 0.999 282 I CA -0.899 60.511 61.300 0.183 0.000 1.310 282 I CB 0.486 38.627 38.000 0.235 0.000 1.404 282 I HN 0.403 nan 8.210 nan 0.000 0.496 283 A N 5.063 127.919 122.820 0.060 0.000 2.342 283 A HA 0.948 5.268 4.320 -0.000 0.000 0.323 283 A C -0.457 177.080 177.584 -0.080 0.000 1.125 283 A CA -0.360 51.595 52.037 -0.137 0.000 0.785 283 A CB 1.598 20.223 19.000 -0.624 0.000 1.221 283 A HN 0.960 nan 8.150 nan 0.000 0.463 284 A N 0.273 123.014 122.820 -0.133 0.000 2.610 284 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 284 A C 0.248 177.678 177.584 -0.256 0.000 1.086 284 A CA 0.101 52.026 52.037 -0.186 0.000 0.677 284 A CB 0.701 19.501 19.000 -0.334 0.000 1.278 284 A HN 2.517 nan 8.150 nan 0.000 0.414 285 G N -0.543 108.129 108.800 -0.213 0.000 3.246 285 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 285 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 285 G C 0.820 175.699 174.900 -0.036 0.000 0.978 285 G CA 0.909 45.912 45.100 -0.162 0.000 0.825 285 G HN 0.944 nan 8.290 nan 0.000 0.546 286 E N 0.761 120.886 120.200 -0.125 0.000 2.085 286 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 286 E C 0.748 177.130 176.600 -0.363 0.000 0.994 286 E CA 1.382 57.593 56.400 -0.315 0.000 0.801 286 E CB -0.087 29.298 29.700 -0.526 0.000 0.743 286 E HN 0.391 nan 8.360 nan 0.000 0.453 287 N N 0.569 119.043 118.700 -0.377 0.000 2.671 287 N HA 0.123 4.863 4.740 -0.000 0.000 0.303 287 N C -1.328 173.492 175.510 -1.150 0.000 1.351 287 N CA 0.089 52.791 53.050 -0.581 0.000 0.991 287 N CB 0.509 38.791 38.487 -0.342 0.000 1.307 287 N HN 0.183 nan 8.380 nan 0.000 0.512 288 H N -0.500 117.923 119.070 -1.079 0.000 2.717 288 H HA 0.424 4.980 4.556 -0.000 0.000 0.366 288 H C -1.120 173.705 175.328 -0.838 0.000 1.132 288 H CA -0.445 54.985 56.048 -1.029 0.000 1.180 288 H CB 1.114 30.240 29.762 -1.060 0.000 1.678 288 H HN 0.029 nan 8.280 nan 0.000 0.537 289 Y N 0.598 120.976 120.300 0.131 0.000 2.406 289 Y HA 0.433 4.983 4.550 -0.000 0.000 0.340 289 Y C 0.097 176.161 175.900 0.274 0.000 0.975 289 Y CA -0.663 57.555 58.100 0.197 0.000 1.056 289 Y CB 1.878 40.400 38.460 0.104 0.000 1.210 289 Y HN 1.003 nan 8.280 nan 0.000 0.448 290 T N -1.039 113.784 114.554 0.448 0.000 0.541 290 T HA -0.227 4.123 4.350 -0.000 0.000 0.774 290 T C 0.690 175.524 174.700 0.224 0.000 0.992 290 T CA 0.449 62.778 62.100 0.381 0.000 4.077 290 T CB -0.113 69.102 68.868 0.578 0.000 2.303 290 T HN 1.070 nan 8.240 nan 0.000 0.398 291 R N 0.690 121.140 120.500 -0.084 0.000 2.280 291 R HA 0.090 4.430 4.340 -0.000 0.000 0.207 291 R C 1.673 177.860 176.300 -0.189 0.000 1.043 291 R CA 1.608 57.576 56.100 -0.221 0.000 1.006 291 R CB -0.432 29.603 30.300 -0.442 0.000 0.885 291 R HN 0.638 nan 8.270 nan 0.000 0.467 292 F N 1.972 121.992 119.950 0.116 0.000 2.234 292 F HA 0.098 4.625 4.527 -0.000 0.000 0.296 292 F C 2.261 178.085 175.800 0.040 0.000 1.089 292 F CA 0.884 58.933 58.000 0.082 0.000 1.343 292 F CB -0.191 38.873 39.000 0.106 0.000 1.040 292 F HN 0.011 nan 8.300 nan 0.000 0.498 293 E N -0.524 119.802 120.200 0.211 0.000 2.107 293 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 293 E C 2.016 178.478 176.600 -0.231 0.000 0.982 293 E CA 0.983 57.393 56.400 0.017 0.000 0.809 293 E CB -0.302 29.413 29.700 0.025 0.000 0.756 293 E HN 0.350 nan 8.360 nan 0.000 0.459 294 F N 0.491 120.256 119.950 -0.308 0.000 2.259 294 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 294 F C 2.418 177.934 175.800 -0.473 0.000 1.088 294 F CA 1.065 58.666 58.000 -0.666 0.000 1.358 294 F CB -0.355 38.164 39.000 -0.803 0.000 1.040 294 F HN 0.065 nan 8.300 nan 0.000 0.505 295 G N -0.848 107.936 108.800 -0.027 0.000 2.422 295 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 295 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 295 G C 1.485 176.386 174.900 0.002 0.000 1.140 295 G CA 0.398 45.516 45.100 0.031 0.000 0.775 295 G HN 0.320 nan 8.290 nan 0.000 0.545 296 Q N -0.319 119.463 119.800 -0.031 0.000 2.119 296 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 296 Q C 2.536 178.488 176.000 -0.080 0.000 0.972 296 Q CA 1.411 57.188 55.803 -0.044 0.000 0.847 296 Q CB -0.247 28.462 28.738 -0.048 0.000 0.903 296 Q HN 0.760 nan 8.270 nan 0.000 0.433 297 M N -0.878 118.612 119.600 -0.184 0.000 2.558 297 M HA 0.078 4.558 4.480 -0.000 0.000 0.255 297 M C 1.615 177.919 176.300 0.007 0.000 1.113 297 M CA 0.712 55.895 55.300 -0.194 0.000 1.097 297 M CB 0.092 32.400 32.600 -0.487 0.000 1.426 297 M HN 0.137 nan 8.290 nan 0.000 0.488 298 L N 2.373 123.652 121.223 0.093 0.000 2.023 298 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 298 L C 1.896 178.776 176.870 0.018 0.000 1.073 298 L CA 2.230 57.180 54.840 0.183 0.000 0.745 298 L CB -0.473 41.676 42.059 0.151 0.000 0.900 298 L HN 0.569 nan 8.230 nan 0.000 0.435 299 D N -0.827 119.572 120.400 -0.003 0.000 2.340 299 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 299 D C 1.726 178.045 176.300 0.032 0.000 1.039 299 D CA 0.820 54.822 54.000 0.004 0.000 0.866 299 D CB -0.162 40.641 40.800 0.005 0.000 0.913 299 D HN 0.369 nan 8.370 nan 0.000 0.523 300 A N 0.631 123.473 122.820 0.036 0.000 1.930 300 A HA 0.393 4.713 4.320 -0.000 0.000 0.215 300 A C 2.176 179.803 177.584 0.072 0.000 1.176 300 A CA 1.329 53.401 52.037 0.057 0.000 0.632 300 A CB -0.822 18.212 19.000 0.057 0.000 0.819 300 A HN 0.607 nan 8.150 nan 0.000 0.445 301 G N -2.155 106.691 108.800 0.076 0.000 2.162 301 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.260 301 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.260 301 G C 1.117 176.080 174.900 0.106 0.000 0.976 301 G CA 1.231 46.385 45.100 0.091 0.000 0.655 301 G HN 1.403 nan 8.290 nan 0.000 0.533 302 A N -0.720 122.168 122.820 0.113 0.000 1.878 302 A HA 0.568 4.888 4.320 -0.000 0.000 0.213 302 A C 1.338 179.014 177.584 0.153 0.000 1.192 302 A CA 1.585 53.704 52.037 0.136 0.000 0.619 302 A CB 0.131 19.230 19.000 0.165 0.000 0.837 302 A HN 1.053 nan 8.150 nan 0.000 0.446 303 V N 1.770 121.769 119.914 0.141 0.000 2.389 303 V HA 0.160 4.280 4.120 -0.000 0.000 0.264 303 V C 0.307 176.550 176.094 0.249 0.000 1.049 303 V CA -0.168 62.226 62.300 0.157 0.000 0.932 303 V CB 1.032 32.858 31.823 0.005 0.000 1.011 303 V HN 0.494 nan 8.190 nan 0.000 0.475 304 Q N 3.139 123.042 119.800 0.171 0.000 2.247 304 Q HA 0.271 4.611 4.340 -0.000 0.000 0.211 304 Q C -0.308 175.709 176.000 0.029 0.000 0.861 304 Q CA 0.235 56.088 55.803 0.084 0.000 0.949 304 Q CB 1.659 30.436 28.738 0.065 0.000 1.115 304 Q HN 0.586 nan 8.270 nan 0.000 0.507 305 V N 1.207 121.187 119.914 0.110 0.000 2.482 305 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 305 V C -1.197 175.010 176.094 0.189 0.000 1.026 305 V CA -0.830 61.488 62.300 0.030 0.000 0.856 305 V CB 1.511 33.271 31.823 -0.104 0.000 1.001 305 V HN 0.141 nan 8.190 nan 0.000 0.424 306 W N 3.333 124.574 121.300 -0.098 0.000 2.433 306 W HA 0.662 5.322 4.660 -0.000 0.000 0.315 306 W C 0.209 176.715 176.519 -0.022 0.000 1.087 306 W CA -1.272 56.069 57.345 -0.007 0.000 1.205 306 W CB 1.200 30.712 29.460 0.088 0.000 1.288 306 W HN 0.503 nan 8.180 nan 0.000 0.504 307 Q N 4.338 124.264 119.800 0.210 0.000 2.965 307 Q HA 0.209 4.549 4.340 -0.000 0.000 0.288 307 Q C -2.308 173.812 176.000 0.199 0.000 0.974 307 Q CA -1.733 54.158 55.803 0.145 0.000 0.849 307 Q CB 1.464 30.226 28.738 0.040 0.000 1.280 307 Q HN 0.055 nan 8.270 nan 0.000 0.441 308 P HA 0.010 nan 4.420 nan 0.000 0.276 308 P C -0.634 176.730 177.300 0.108 0.000 1.230 308 P CA -0.145 63.030 63.100 0.126 0.000 0.776 308 P CB 1.113 32.710 31.700 -0.172 0.000 0.888 309 D N 2.638 123.107 120.400 0.114 0.000 2.280 309 D HA 0.119 4.759 4.640 -0.000 0.000 0.243 309 D C 1.301 177.635 176.300 0.057 0.000 1.129 309 D CA -0.369 53.716 54.000 0.142 0.000 0.848 309 D CB 0.725 41.659 40.800 0.224 0.000 1.107 309 D HN 0.224 nan 8.370 nan 0.000 0.471 310 L N 2.252 123.476 121.223 0.002 0.000 2.362 310 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 310 L C 1.790 178.676 176.870 0.026 0.000 1.134 310 L CA 0.488 55.286 54.840 -0.068 0.000 0.807 310 L CB -0.114 41.850 42.059 -0.158 0.000 0.927 310 L HN 0.258 nan 8.230 nan 0.000 0.447 311 S N -0.958 114.791 115.700 0.083 0.000 2.575 311 S HA 0.075 4.545 4.470 -0.000 0.000 0.215 311 S C 1.534 176.231 174.600 0.161 0.000 0.966 311 S CA 0.296 58.569 58.200 0.122 0.000 0.911 311 S CB 0.232 63.517 63.200 0.142 0.000 0.780 311 S HN 0.378 nan 8.310 nan 0.000 0.514 312 K N -0.012 120.482 120.400 0.157 0.000 2.485 312 K HA 0.102 4.422 4.320 -0.000 0.000 0.200 312 K C 2.104 178.901 176.600 0.329 0.000 1.344 312 K CA 0.880 57.304 56.287 0.229 0.000 0.948 312 K CB -0.217 32.384 32.500 0.167 0.000 1.454 312 K HN 0.485 nan 8.250 nan 0.000 0.502 313 C N 0.004 119.440 119.300 0.226 0.000 2.456 313 C HA 0.304 4.764 4.460 -0.000 0.000 0.279 313 C C 1.498 176.670 174.990 0.302 0.000 1.427 313 C CA 0.524 59.691 59.018 0.249 0.000 1.778 313 C CB -0.662 27.133 27.740 0.091 0.000 1.842 313 C HN 0.640 nan 8.230 nan 0.000 0.531 314 G N -1.066 107.911 108.800 0.295 0.000 2.507 314 G HA2 0.471 4.431 3.960 -0.000 0.000 0.205 314 G HA3 0.471 4.431 3.960 -0.000 0.000 0.205 314 G C 0.665 175.810 174.900 0.408 0.000 0.996 314 G CA 0.395 45.803 45.100 0.513 0.000 0.776 314 G HN 2.174 nan 8.290 nan 0.000 0.532 315 G N -0.562 108.334 108.800 0.160 0.000 2.548 315 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.208 315 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.208 315 G C 0.852 175.672 174.900 -0.134 0.000 1.308 315 G CA 0.017 45.158 45.100 0.069 0.000 0.924 315 G HN 0.874 nan 8.290 nan 0.000 0.540 316 I N 0.727 121.185 120.570 -0.186 0.000 2.286 316 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 316 I C 3.097 178.981 176.117 -0.388 0.000 1.104 316 I CA 2.238 63.246 61.300 -0.485 0.000 1.397 316 I CB -0.632 36.874 38.000 -0.823 0.000 1.072 316 I HN 0.679 nan 8.210 nan 0.000 0.417 317 T N -0.092 114.422 114.554 -0.068 0.000 2.635 317 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 317 T C 1.835 176.370 174.700 -0.274 0.000 1.040 317 T CA 1.915 64.021 62.100 0.010 0.000 1.156 317 T CB -0.278 68.658 68.868 0.113 0.000 0.863 317 T HN 0.266 nan 8.240 nan 0.000 0.430 318 E N 0.635 120.587 120.200 -0.415 0.000 2.152 318 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 318 E C 2.314 178.710 176.600 -0.339 0.000 0.983 318 E CA 1.050 57.160 56.400 -0.485 0.000 0.818 318 E CB -0.811 28.628 29.700 -0.436 0.000 0.758 318 E HN 0.460 nan 8.360 nan 0.000 0.467 319 G N 0.868 109.454 108.800 -0.357 0.000 2.446 319 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 319 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 319 G C 1.612 176.445 174.900 -0.112 0.000 1.168 319 G CA 1.168 45.993 45.100 -0.457 0.000 0.771 319 G HN 0.320 nan 8.290 nan 0.000 0.551 320 I N 0.223 120.780 120.570 -0.022 0.000 2.163 320 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 320 I C 3.038 179.150 176.117 -0.008 0.000 1.085 320 I CA 1.172 62.537 61.300 0.108 0.000 1.347 320 I CB -0.226 37.786 38.000 0.019 0.000 1.044 320 I HN 0.068 nan 8.210 nan 0.000 0.408 321 R N 0.556 120.988 120.500 -0.114 0.000 2.081 321 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 321 R C 2.356 178.580 176.300 -0.126 0.000 1.131 321 R CA 1.469 57.479 56.100 -0.150 0.000 0.960 321 R CB -0.467 29.674 30.300 -0.265 0.000 0.856 321 R HN 0.375 nan 8.270 nan 0.000 0.436 322 I N 0.567 121.039 120.570 -0.163 0.000 2.202 322 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 322 I C 2.611 178.748 176.117 0.033 0.000 1.091 322 I CA 1.271 62.480 61.300 -0.151 0.000 1.368 322 I CB -0.362 37.344 38.000 -0.491 0.000 1.058 322 I HN 0.157 nan 8.210 nan 0.000 0.410 323 A N 0.537 123.383 122.820 0.043 0.000 1.969 323 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 323 A C 2.483 180.055 177.584 -0.019 0.000 1.169 323 A CA 1.691 53.758 52.037 0.050 0.000 0.635 323 A CB -0.707 18.351 19.000 0.096 0.000 0.810 323 A HN 0.430 nan 8.150 nan 0.000 0.445 324 A N -0.669 122.143 122.820 -0.014 0.000 1.968 324 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 324 A C 2.215 179.791 177.584 -0.012 0.000 1.169 324 A CA 1.632 53.654 52.037 -0.026 0.000 0.638 324 A CB -0.479 18.507 19.000 -0.024 0.000 0.812 324 A HN 0.624 nan 8.150 nan 0.000 0.446 325 M N -0.268 119.338 119.600 0.010 0.000 2.132 325 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 325 M C 2.196 178.474 176.300 -0.037 0.000 1.065 325 M CA 1.681 57.005 55.300 0.040 0.000 1.122 325 M CB -0.202 32.460 32.600 0.103 0.000 1.365 325 M HN 0.372 nan 8.290 nan 0.000 0.411 326 A N -0.685 122.027 122.820 -0.180 0.000 1.933 326 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 326 A C 2.198 179.640 177.584 -0.235 0.000 1.175 326 A CA 2.022 53.768 52.037 -0.485 0.000 0.628 326 A CB -1.108 17.527 19.000 -0.608 0.000 0.814 326 A HN 0.616 nan 8.150 nan 0.000 0.444 327 S N -0.309 115.314 115.700 -0.129 0.000 2.370 327 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 327 S C 2.163 176.725 174.600 -0.063 0.000 1.033 327 S CA 1.629 59.773 58.200 -0.094 0.000 1.011 327 S CB -0.451 62.704 63.200 -0.075 0.000 0.852 327 S HN 0.828 nan 8.310 nan 0.000 0.457 328 A N -0.728 122.085 122.820 -0.013 0.000 1.969 328 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 328 A C 1.566 179.090 177.584 -0.100 0.000 1.169 328 A CA 1.150 53.173 52.037 -0.023 0.000 0.635 328 A CB -0.674 18.356 19.000 0.050 0.000 0.810 328 A HN 0.731 nan 8.150 nan 0.000 0.445 329 Y N -2.381 117.835 120.300 -0.139 0.000 2.524 329 Y HA 0.314 4.864 4.550 -0.000 0.000 0.266 329 Y C 0.962 176.762 175.900 -0.167 0.000 1.180 329 Y CA 0.046 58.060 58.100 -0.143 0.000 1.244 329 Y CB 0.424 38.788 38.460 -0.161 0.000 1.125 329 Y HN 0.281 nan 8.280 nan 0.000 0.524 330 R N 0.559 121.016 120.500 -0.072 0.000 3.641 330 R HA -0.199 4.141 4.340 -0.000 0.000 0.286 330 R C -1.060 175.164 176.300 -0.127 0.000 1.153 330 R CA 0.309 56.352 56.100 -0.096 0.000 0.775 330 R CB -2.319 27.934 30.300 -0.078 0.000 1.215 330 R HN 0.372 nan 8.270 nan 0.000 0.474 331 I N 2.086 122.524 120.570 -0.220 0.000 2.371 331 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 331 I C -1.645 174.312 176.117 -0.267 0.000 1.028 331 I CA -2.095 59.007 61.300 -0.330 0.000 1.345 331 I CB 1.061 38.623 38.000 -0.731 0.000 1.407 331 I HN -0.058 nan 8.210 nan 0.000 0.501 332 P HA 0.183 nan 4.420 nan 0.000 0.279 332 P C -0.786 176.486 177.300 -0.046 0.000 1.239 332 P CA -0.189 62.863 63.100 -0.081 0.000 0.789 332 P CB 1.065 32.756 31.700 -0.014 0.000 0.933 333 I N 3.693 124.259 120.570 -0.008 0.000 2.307 333 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 333 I C 0.613 176.802 176.117 0.120 0.000 1.021 333 I CA -0.041 61.305 61.300 0.077 0.000 1.224 333 I CB -0.042 38.010 38.000 0.086 0.000 1.376 333 I HN 0.236 nan 8.210 nan 0.000 0.470 334 N N 6.023 124.807 118.700 0.139 0.000 3.012 334 N HA 0.288 5.028 4.740 -0.000 0.000 0.270 334 N C 0.179 175.835 175.510 0.242 0.000 1.469 334 N CA -0.238 52.951 53.050 0.233 0.000 0.928 334 N CB 1.553 40.166 38.487 0.211 0.000 1.219 334 N HN 0.649 nan 8.380 nan 0.000 0.492 335 A N 1.357 124.334 122.820 0.261 0.000 2.587 335 A HA -0.122 4.198 4.320 -0.000 0.000 0.235 335 A C 0.449 178.159 177.584 0.210 0.000 1.044 335 A CA 0.356 52.541 52.037 0.247 0.000 0.754 335 A CB 0.047 19.226 19.000 0.298 0.000 0.968 335 A HN 0.591 nan 8.150 nan 0.000 0.509 336 H N 2.221 121.354 119.070 0.105 0.000 2.683 336 H HA 0.334 4.890 4.556 -0.000 0.000 0.339 336 H C -0.408 174.958 175.328 0.063 0.000 1.081 336 H CA 0.262 56.355 56.048 0.074 0.000 1.432 336 H CB 0.723 30.521 29.762 0.061 0.000 1.462 336 H HN 0.595 nan 8.280 nan 0.000 0.557 337 S N 2.909 118.301 115.700 -0.513 0.000 2.525 337 S HA 0.248 4.718 4.470 -0.000 0.000 0.290 337 S C 0.096 174.562 174.600 -0.222 0.000 1.152 337 S CA -0.737 57.324 58.200 -0.232 0.000 1.072 337 S CB 1.808 64.891 63.200 -0.195 0.000 1.027 337 S HN 0.622 nan 8.310 nan 0.000 0.500 338 S N 1.120 116.827 115.700 0.012 0.000 2.566 338 S HA 0.551 5.021 4.470 -0.000 0.000 0.277 338 S C 1.636 176.258 174.600 0.035 0.000 1.150 338 S CA -0.072 58.176 58.200 0.080 0.000 1.032 338 S CB 0.295 63.566 63.200 0.119 0.000 1.157 338 S HN 0.819 nan 8.310 nan 0.000 0.507 339 A N 0.596 123.406 122.820 -0.017 0.000 1.874 339 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 339 A C 1.324 178.877 177.584 -0.052 0.000 1.189 339 A CA 1.483 53.522 52.037 0.004 0.000 0.615 339 A CB -1.318 17.601 19.000 -0.136 0.000 0.830 339 A HN 0.789 nan 8.150 nan 0.000 0.443 340 T N -3.623 110.806 114.554 -0.208 0.000 2.882 340 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 340 T C 1.192 175.710 174.700 -0.304 0.000 1.014 340 T CA 0.034 62.059 62.100 -0.124 0.000 1.049 340 T CB 1.468 70.339 68.868 0.004 0.000 1.001 340 T HN 0.370 nan 8.240 nan 0.000 0.525 341 G N 0.390 109.229 108.800 0.066 0.000 2.559 341 G HA2 0.006 3.966 3.960 -0.000 0.000 0.216 341 G HA3 0.006 3.966 3.960 -0.000 0.000 0.216 341 G C 1.256 176.335 174.900 0.298 0.000 1.126 341 G CA 0.112 45.394 45.100 0.303 0.000 0.778 341 G HN 0.711 nan 8.290 nan 0.000 0.543 342 L N 0.311 121.708 121.223 0.289 0.000 2.027 342 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 342 L C 2.801 179.749 176.870 0.130 0.000 1.074 342 L CA 1.240 56.216 54.840 0.228 0.000 0.745 342 L CB -0.321 41.876 42.059 0.231 0.000 0.898 342 L HN 0.290 nan 8.230 nan 0.000 0.433 343 N N -0.281 118.430 118.700 0.019 0.000 2.188 343 N HA -0.220 4.520 4.740 -0.000 0.000 0.184 343 N C 1.797 177.363 175.510 0.094 0.000 1.018 343 N CA 1.451 54.506 53.050 0.008 0.000 0.858 343 N CB -0.061 38.386 38.487 -0.068 0.000 0.989 343 N HN 0.520 nan 8.380 nan 0.000 0.426 344 H N -0.029 119.140 119.070 0.164 0.000 2.387 344 H HA 0.005 4.561 4.556 -0.000 0.000 0.299 344 H C 2.175 177.535 175.328 0.054 0.000 1.090 344 H CA 1.188 57.325 56.048 0.149 0.000 1.332 344 H CB 0.088 29.930 29.762 0.134 0.000 1.386 344 H HN 0.374 nan 8.280 nan 0.000 0.516 345 A N 1.252 124.215 122.820 0.239 0.000 1.873 345 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 345 A C 2.555 180.322 177.584 0.306 0.000 1.186 345 A CA 1.288 53.468 52.037 0.239 0.000 0.616 345 A CB -0.978 18.191 19.000 0.281 0.000 0.823 345 A HN 0.450 nan 8.150 nan 0.000 0.442 346 A N -0.953 122.007 122.820 0.233 0.000 1.933 346 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 346 A C 2.295 179.998 177.584 0.198 0.000 1.175 346 A CA 2.343 54.493 52.037 0.188 0.000 0.628 346 A CB -1.240 17.817 19.000 0.095 0.000 0.814 346 A HN 0.440 nan 8.150 nan 0.000 0.444 347 T N 0.337 115.006 114.554 0.193 0.000 2.737 347 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 347 T C 1.794 176.611 174.700 0.196 0.000 1.038 347 T CA 1.553 63.805 62.100 0.253 0.000 1.144 347 T CB -0.400 68.674 68.868 0.344 0.000 0.866 347 T HN 0.444 nan 8.240 nan 0.000 0.434 348 I N 0.237 120.785 120.570 -0.036 0.000 2.315 348 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 348 I C 2.379 178.430 176.117 -0.111 0.000 1.117 348 I CA 1.409 62.569 61.300 -0.234 0.000 1.404 348 I CB -0.419 37.269 38.000 -0.520 0.000 1.071 348 I HN 0.319 nan 8.210 nan 0.000 0.419 349 H N -0.182 118.912 119.070 0.040 0.000 2.353 349 H HA -0.216 4.340 4.556 -0.000 0.000 0.300 349 H C 2.031 177.418 175.328 0.098 0.000 1.090 349 H CA 2.329 58.441 56.048 0.107 0.000 1.327 349 H CB -0.187 29.650 29.762 0.125 0.000 1.383 349 H HN 0.302 nan 8.280 nan 0.000 0.508 350 F N 0.778 120.771 119.950 0.073 0.000 2.134 350 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 350 F C 1.736 177.526 175.800 -0.017 0.000 1.097 350 F CA 1.186 59.174 58.000 -0.020 0.000 1.264 350 F CB -0.143 38.827 39.000 -0.049 0.000 1.001 350 F HN 0.021 nan 8.300 nan 0.000 0.479 351 L N -0.033 121.109 121.223 -0.136 0.000 2.217 351 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 351 L C 2.750 179.503 176.870 -0.195 0.000 1.107 351 L CA 0.737 55.437 54.840 -0.234 0.000 0.783 351 L CB -1.032 41.005 42.059 -0.037 0.000 0.919 351 L HN 0.256 nan 8.230 nan 0.000 0.442 352 A N 0.191 122.931 122.820 -0.134 0.000 1.930 352 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 352 A C 2.340 179.864 177.584 -0.100 0.000 1.175 352 A CA 1.693 53.655 52.037 -0.126 0.000 0.627 352 A CB -0.400 18.520 19.000 -0.133 0.000 0.815 352 A HN 0.375 nan 8.150 nan 0.000 0.443 353 A N -1.574 121.189 122.820 -0.095 0.000 2.267 353 A HA 0.338 4.658 4.320 -0.000 0.000 0.213 353 A C 0.895 178.367 177.584 -0.186 0.000 1.192 353 A CA 0.512 52.498 52.037 -0.085 0.000 0.851 353 A CB -0.183 18.807 19.000 -0.016 0.000 0.881 353 A HN 0.246 nan 8.150 nan 0.000 0.494 354 T N 0.900 115.258 114.554 -0.327 0.000 2.728 354 T HA 0.134 4.484 4.350 -0.000 0.000 0.296 354 T C 1.140 175.697 174.700 -0.238 0.000 0.940 354 T CA -0.298 61.574 62.100 -0.381 0.000 1.013 354 T CB 1.344 69.778 68.868 -0.724 0.000 0.912 354 T HN 0.444 nan 8.240 nan 0.000 0.484 355 E N 3.780 123.878 120.200 -0.171 0.000 2.077 355 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 355 E C 1.109 177.636 176.600 -0.122 0.000 0.989 355 E CA 1.203 57.528 56.400 -0.124 0.000 0.800 355 E CB 0.027 29.669 29.700 -0.096 0.000 0.746 355 E HN 0.707 nan 8.360 nan 0.000 0.452 356 N N 0.636 119.256 118.700 -0.133 0.000 2.378 356 N HA 0.132 4.872 4.740 -0.000 0.000 0.243 356 N C -0.457 174.985 175.510 -0.113 0.000 1.137 356 N CA 0.192 53.173 53.050 -0.116 0.000 0.862 356 N CB 0.180 38.598 38.487 -0.116 0.000 1.116 356 N HN 0.062 nan 8.380 nan 0.000 0.499 357 A N -0.440 122.302 122.820 -0.130 0.000 2.401 357 A HA 0.636 4.956 4.320 -0.000 0.000 0.259 357 A C 0.986 178.532 177.584 -0.064 0.000 1.103 357 A CA -0.034 51.941 52.037 -0.103 0.000 0.789 357 A CB 0.452 19.365 19.000 -0.145 0.000 1.035 357 A HN 0.378 nan 8.150 nan 0.000 0.491 358 G N 0.448 109.244 108.800 -0.008 0.000 2.529 358 G HA2 0.399 4.359 3.960 -0.000 0.000 0.220 358 G HA3 0.399 4.359 3.960 -0.000 0.000 0.220 358 G C -0.264 174.616 174.900 -0.033 0.000 1.976 358 G CA -0.080 44.988 45.100 -0.053 0.000 0.789 358 G HN 0.623 nan 8.290 nan 0.000 0.695 359 Y N -0.693 119.776 120.300 0.283 0.000 2.419 359 Y HA 0.547 5.097 4.550 -0.000 0.000 0.328 359 Y C -0.686 175.407 175.900 0.322 0.000 1.162 359 Y CA -1.052 57.262 58.100 0.358 0.000 1.174 359 Y CB 2.131 40.962 38.460 0.619 0.000 1.228 359 Y HN 0.268 nan 8.280 nan 0.000 0.473 360 F N 2.910 123.032 119.950 0.287 0.000 2.408 360 F HA 0.285 4.812 4.527 -0.000 0.000 0.344 360 F C 0.018 175.709 175.800 -0.182 0.000 1.112 360 F CA -0.645 57.386 58.000 0.051 0.000 1.096 360 F CB 0.700 39.675 39.000 -0.041 0.000 1.129 360 F HN 0.478 nan 8.300 nan 0.000 0.486 361 E N 5.512 125.093 120.200 -1.032 0.000 2.070 361 E HA 0.419 4.769 4.350 -0.000 0.000 0.282 361 E C -1.066 174.565 176.600 -1.616 0.000 1.104 361 E CA -0.570 55.014 56.400 -1.361 0.000 0.876 361 E CB 0.614 29.853 29.700 -0.768 0.000 1.055 361 E HN 0.756 nan 8.360 nan 0.000 0.401 362 A N 4.688 126.782 122.820 -1.209 0.000 2.260 362 A HA 0.207 4.527 4.320 -0.000 0.000 0.308 362 A C -0.230 177.086 177.584 -0.448 0.000 1.254 362 A CA -0.714 50.877 52.037 -0.744 0.000 0.874 362 A CB 0.621 19.623 19.000 0.003 0.000 1.153 362 A HN 0.817 nan 8.150 nan 0.000 0.527 363 C N 3.792 122.899 119.300 -0.322 0.000 2.629 363 C HA 0.422 4.882 4.460 -0.000 0.000 0.410 363 C C 1.316 176.254 174.990 -0.086 0.000 1.339 363 C CA 0.395 59.312 59.018 -0.169 0.000 1.810 363 C CB -1.029 26.674 27.740 -0.061 0.000 2.549 363 C HN 1.109 nan 8.230 nan 0.000 0.589 364 V N 3.755 123.551 119.914 -0.197 0.000 3.346 364 V HA 0.275 4.395 4.120 -0.000 0.000 0.309 364 V C 0.739 176.751 176.094 -0.138 0.000 1.457 364 V CA 0.279 62.453 62.300 -0.210 0.000 1.069 364 V CB -0.996 30.487 31.823 -0.567 0.000 0.944 364 V HN 0.896 nan 8.190 nan 0.000 0.449 365 S N 2.235 117.847 115.700 -0.146 0.000 2.549 365 S HA 0.255 4.724 4.470 -0.000 0.000 0.283 365 S C 1.196 175.617 174.600 -0.298 0.000 1.320 365 S CA -0.110 57.945 58.200 -0.241 0.000 1.058 365 S CB 1.223 64.307 63.200 -0.194 0.000 0.882 365 S HN 0.655 nan 8.310 nan 0.000 0.498 366 K N 2.025 122.133 120.400 -0.487 0.000 2.148 366 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 366 K C 0.336 176.787 176.600 -0.249 0.000 1.050 366 K CA 0.929 57.011 56.287 -0.342 0.000 0.942 366 K CB -0.688 31.643 32.500 -0.282 0.000 0.724 366 K HN 0.808 nan 8.250 nan 0.000 0.446 367 F N 1.656 121.625 119.950 0.033 0.000 2.508 367 F HA 0.415 4.942 4.527 -0.000 0.000 0.329 367 F C -0.351 175.446 175.800 -0.005 0.000 1.198 367 F CA -1.088 56.938 58.000 0.043 0.000 1.268 367 F CB -0.185 38.914 39.000 0.165 0.000 1.584 367 F HN -0.070 nan 8.300 nan 0.000 0.570 368 N N 3.309 121.996 118.700 -0.022 0.000 2.648 368 N HA 0.210 4.950 4.740 -0.000 0.000 0.261 368 N C -2.180 173.170 175.510 -0.268 0.000 1.138 368 N CA -1.589 51.401 53.050 -0.100 0.000 0.804 368 N CB 1.998 40.512 38.487 0.045 0.000 1.237 368 N HN 0.049 nan 8.380 nan 0.000 0.532 369 P HA 0.010 nan 4.420 nan 0.000 0.225 369 P C 0.942 177.903 177.300 -0.564 0.000 1.156 369 P CA 0.526 63.257 63.100 -0.615 0.000 0.787 369 P CB 0.049 31.217 31.700 -0.886 0.000 0.802 370 F N 0.956 120.686 119.950 -0.366 0.000 2.234 370 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 370 F C 2.845 178.539 175.800 -0.177 0.000 1.087 370 F CA 0.775 58.590 58.000 -0.308 0.000 1.340 370 F CB -1.063 37.816 39.000 -0.202 0.000 1.031 370 F HN -0.130 nan 8.300 nan 0.000 0.500 371 R N 0.623 121.203 120.500 0.133 0.000 2.070 371 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 371 R C 0.310 176.684 176.300 0.122 0.000 1.138 371 R CA 1.929 58.190 56.100 0.267 0.000 0.936 371 R CB -0.355 30.107 30.300 0.271 0.000 0.839 371 R HN 0.095 nan 8.270 nan 0.000 0.429 372 D N 0.524 120.909 120.400 -0.024 0.000 2.889 372 D HA 0.026 4.666 4.640 -0.000 0.000 0.243 372 D C 0.744 176.952 176.300 -0.155 0.000 1.270 372 D CA 0.027 53.986 54.000 -0.068 0.000 0.838 372 D CB 0.732 41.486 40.800 -0.075 0.000 1.040 372 D HN 0.336 nan 8.370 nan 0.000 0.480 373 M N -0.669 118.734 119.600 -0.328 0.000 2.236 373 M HA -0.047 4.433 4.480 -0.000 0.000 0.266 373 M C 0.407 176.394 176.300 -0.521 0.000 1.070 373 M CA 1.666 56.636 55.300 -0.550 0.000 1.137 373 M CB 0.268 32.316 32.600 -0.921 0.000 1.378 373 M HN 0.006 nan 8.290 nan 0.000 0.426 374 F N -2.004 117.983 119.950 0.062 0.000 2.129 374 F HA 0.457 4.984 4.527 -0.000 0.000 0.234 374 F C 1.563 177.380 175.800 0.027 0.000 1.092 374 F CA -0.213 57.804 58.000 0.027 0.000 1.242 374 F CB -0.706 38.296 39.000 0.004 0.000 1.604 374 F HN -0.151 nan 8.300 nan 0.000 0.527 375 G N 1.191 110.172 108.800 0.301 0.000 4.873 375 G HA2 0.467 4.427 3.960 -0.000 0.000 0.314 375 G HA3 0.467 4.427 3.960 -0.000 0.000 0.314 375 G C -0.244 174.741 174.900 0.140 0.000 1.426 375 G CA 0.089 45.292 45.100 0.172 0.000 1.136 375 G HN 0.611 nan 8.290 nan 0.000 0.589 379 E N 3.804 123.965 120.200 -0.065 0.000 2.290 379 E HA 0.467 4.817 4.350 -0.000 0.000 0.274 379 E C -1.683 174.901 176.600 -0.026 0.000 0.889 379 E CA -0.973 55.336 56.400 -0.151 0.000 0.760 379 E CB 2.635 32.262 29.700 -0.122 0.000 1.206 379 E HN 0.896 nan 8.360 nan 0.000 0.419 380 I N 3.590 124.130 120.570 -0.050 0.000 2.496 380 I HA 0.326 4.496 4.170 -0.000 0.000 0.285 380 I C 0.491 176.542 176.117 -0.111 0.000 1.080 380 I CA 0.215 61.457 61.300 -0.096 0.000 1.404 380 I CB 0.556 38.362 38.000 -0.322 0.000 1.403 380 I HN 0.685 nan 8.210 nan 0.000 0.539 381 G N 4.329 113.073 108.800 -0.093 0.000 2.543 381 G HA2 0.431 4.391 3.960 -0.000 0.000 0.290 381 G HA3 0.431 4.391 3.960 -0.000 0.000 0.290 381 G C 0.619 175.470 174.900 -0.081 0.000 1.310 381 G CA 0.097 45.153 45.100 -0.074 0.000 1.025 381 G HN 0.823 nan 8.290 nan 0.000 0.502 382 A N -0.667 122.121 122.820 -0.054 0.000 2.123 382 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 382 A C 1.727 179.292 177.584 -0.032 0.000 1.152 382 A CA 1.669 53.682 52.037 -0.041 0.000 0.728 382 A CB -0.167 18.817 19.000 -0.027 0.000 0.814 382 A HN 0.588 nan 8.150 nan 0.000 0.464 383 D N -1.513 118.867 120.400 -0.033 0.000 2.349 383 D HA 0.196 4.836 4.640 -0.000 0.000 0.224 383 D C 1.143 177.436 176.300 -0.013 0.000 1.029 383 D CA 0.828 54.816 54.000 -0.019 0.000 0.879 383 D CB -0.631 40.157 40.800 -0.020 0.000 0.906 383 D HN 0.719 nan 8.370 nan 0.000 0.528 384 G N -0.637 108.138 108.800 -0.041 0.000 2.137 384 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 384 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 384 G C 0.177 175.069 174.900 -0.013 0.000 1.002 384 G CA 0.137 45.209 45.100 -0.047 0.000 0.702 384 G HN 0.491 nan 8.290 nan 0.000 0.515 385 C N -1.507 117.777 119.300 -0.027 0.000 2.668 385 C HA 0.950 5.410 4.460 -0.000 0.000 0.355 385 C C 0.549 175.533 174.990 -0.009 0.000 1.277 385 C CA -0.430 58.590 59.018 0.003 0.000 1.787 385 C CB 2.058 29.790 27.740 -0.014 0.000 2.233 385 C HN 0.616 nan 8.230 nan 0.000 0.495 386 V N 0.365 120.270 119.914 -0.014 0.000 3.130 386 V HA 0.596 4.715 4.120 -0.000 0.000 0.310 386 V C -1.252 174.770 176.094 -0.120 0.000 1.158 386 V CA -0.250 62.025 62.300 -0.043 0.000 1.029 386 V CB 2.267 34.064 31.823 -0.043 0.000 1.057 386 V HN 0.956 nan 8.190 nan 0.000 0.436 387 E N 3.764 123.884 120.200 -0.133 0.000 2.293 387 E HA 0.525 4.875 4.350 -0.000 0.000 0.270 387 E C -2.764 173.703 176.600 -0.221 0.000 0.879 387 E CA -1.943 54.352 56.400 -0.175 0.000 0.756 387 E CB 2.745 32.369 29.700 -0.126 0.000 1.208 387 E HN 0.505 nan 8.360 nan 0.000 0.428 388 P HA 0.223 nan 4.420 nan 0.000 0.280 388 P C -2.655 174.536 177.300 -0.183 0.000 1.244 388 P CA -1.659 61.185 63.100 -0.428 0.000 0.784 388 P CB 0.039 31.351 31.700 -0.646 0.000 0.913 389 P HA -0.003 nan 4.420 nan 0.000 0.264 389 P C -0.018 177.443 177.300 0.268 0.000 1.183 389 P CA 0.620 63.798 63.100 0.129 0.000 0.763 389 P CB 0.116 31.937 31.700 0.201 0.000 0.807 390 D N 2.220 122.745 120.400 0.208 0.000 2.943 390 D HA 0.442 5.082 4.640 -0.000 0.000 0.249 390 D C -0.701 175.690 176.300 0.152 0.000 1.231 390 D CA 0.009 54.153 54.000 0.240 0.000 0.979 390 D CB -0.624 40.284 40.800 0.180 0.000 1.053 390 D HN 0.305 nan 8.370 nan 0.000 0.504 391 A N 1.645 124.553 122.820 0.147 0.000 2.574 391 A HA 0.641 4.961 4.320 -0.000 0.000 0.297 391 A C -2.804 174.807 177.584 0.045 0.000 1.062 391 A CA -1.443 50.643 52.037 0.082 0.000 0.686 391 A CB 1.325 20.374 19.000 0.082 0.000 1.285 391 A HN 0.066 nan 8.150 nan 0.000 0.403 392 P HA 0.345 nan 4.420 nan 0.000 0.265 392 P C 1.105 178.391 177.300 -0.023 0.000 1.187 392 P CA 2.231 65.320 63.100 -0.019 0.000 0.766 392 P CB 0.564 32.261 31.700 -0.006 0.000 0.820 393 G N 1.919 110.686 108.800 -0.055 0.000 2.531 393 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.274 393 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.274 393 G C 0.720 175.520 174.900 -0.167 0.000 1.159 393 G CA 0.175 45.242 45.100 -0.056 0.000 0.969 393 G HN 0.477 nan 8.290 nan 0.000 0.554 394 L N 2.078 123.254 121.223 -0.079 0.000 2.492 394 L HA 0.367 4.707 4.340 -0.000 0.000 0.223 394 L C 2.378 179.317 176.870 0.114 0.000 1.132 394 L CA 1.042 55.842 54.840 -0.067 0.000 0.850 394 L CB -0.492 41.604 42.059 0.061 0.000 0.966 394 L HN 2.080 nan 8.230 nan 0.000 0.454 395 G N 1.151 110.002 108.800 0.085 0.000 2.147 395 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 395 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 395 G C -0.184 174.785 174.900 0.114 0.000 1.005 395 G CA -0.051 45.128 45.100 0.131 0.000 0.713 395 G HN 0.201 nan 8.290 nan 0.000 0.515 396 I N 0.471 121.085 120.570 0.072 0.000 2.404 396 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 396 I C 0.184 176.245 176.117 -0.094 0.000 0.992 396 I CA -1.099 60.217 61.300 0.027 0.000 1.149 396 I CB 1.871 39.907 38.000 0.061 0.000 1.315 396 I HN 0.204 nan 8.210 nan 0.000 0.446 397 E N 5.726 125.868 120.200 -0.097 0.000 2.167 397 E HA 0.425 4.775 4.350 -0.000 0.000 0.284 397 E C -1.388 175.008 176.600 -0.340 0.000 1.016 397 E CA -0.500 55.807 56.400 -0.153 0.000 0.817 397 E CB 0.998 30.665 29.700 -0.055 0.000 1.080 397 E HN 0.363 nan 8.360 nan 0.000 0.397 398 V N 4.833 124.430 119.914 -0.529 0.000 2.333 398 V HA 0.109 4.229 4.120 -0.000 0.000 0.274 398 V C -0.202 175.621 176.094 -0.452 0.000 1.028 398 V CA -0.742 61.071 62.300 -0.811 0.000 0.851 398 V CB 1.173 32.104 31.823 -1.488 0.000 1.000 398 V HN 0.658 nan 8.190 nan 0.000 0.456 399 D N 3.496 123.725 120.400 -0.284 0.000 2.313 399 D HA 0.204 4.844 4.640 -0.000 0.000 0.239 399 D C 1.049 177.140 176.300 -0.349 0.000 1.142 399 D CA -0.197 53.685 54.000 -0.196 0.000 0.847 399 D CB 1.296 42.048 40.800 -0.080 0.000 1.082 399 D HN 0.591 nan 8.370 nan 0.000 0.480 400 E N 1.344 121.333 120.200 -0.353 0.000 2.482 400 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 400 E C 1.131 177.469 176.600 -0.435 0.000 1.047 400 E CA 0.253 56.289 56.400 -0.606 0.000 0.869 400 E CB 0.161 29.791 29.700 -0.116 0.000 0.836 400 E HN 0.487 nan 8.360 nan 0.000 0.520 401 S N 0.024 115.591 115.700 -0.221 0.000 2.603 401 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 401 S C 1.637 176.196 174.600 -0.069 0.000 0.967 401 S CA -0.014 58.133 58.200 -0.090 0.000 0.920 401 S CB -0.344 62.829 63.200 -0.045 0.000 0.773 401 S HN 0.185 nan 8.310 nan 0.000 0.529 402 I N -0.440 120.053 120.570 -0.128 0.000 3.427 402 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 402 I C 1.274 177.526 176.117 0.224 0.000 1.249 402 I CA 0.258 61.574 61.300 0.026 0.000 1.421 402 I CB -0.318 37.745 38.000 0.105 0.000 1.086 402 I HN 0.150 nan 8.210 nan 0.000 0.448 403 F N 1.891 121.971 119.950 0.217 0.000 2.293 403 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 403 F C 2.317 178.215 175.800 0.164 0.000 1.086 403 F CA 0.858 59.000 58.000 0.238 0.000 1.375 403 F CB -0.998 38.123 39.000 0.201 0.000 1.045 403 F HN 0.153 nan 8.300 nan 0.000 0.516 404 E N -0.045 120.307 120.200 0.254 0.000 2.208 404 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 404 E C 2.079 178.699 176.600 0.033 0.000 0.988 404 E CA 0.618 57.096 56.400 0.131 0.000 0.828 404 E CB -0.157 29.590 29.700 0.079 0.000 0.763 404 E HN 0.301 nan 8.360 nan 0.000 0.478 405 K N 0.356 120.712 120.400 -0.072 0.000 2.217 405 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 405 K C -0.245 176.074 176.600 -0.467 0.000 1.051 405 K CA 0.773 56.849 56.287 -0.351 0.000 0.952 405 K CB 0.284 32.420 32.500 -0.606 0.000 0.736 405 K HN 0.115 nan 8.250 nan 0.000 0.453 406 Y N 1.611 122.004 120.300 0.155 0.000 2.863 406 Y HA 0.318 4.868 4.550 -0.000 0.000 0.348 406 Y C -2.338 173.675 175.900 0.189 0.000 1.028 406 Y CA -3.069 55.138 58.100 0.180 0.000 1.213 406 Y CB 0.784 39.380 38.460 0.227 0.000 1.120 406 Y HN 0.069 nan 8.280 nan 0.000 0.598 407 P HA 0.302 nan 4.420 nan 0.000 0.279 407 P C -0.321 177.077 177.300 0.162 0.000 1.276 407 P CA -0.517 62.686 63.100 0.171 0.000 0.801 407 P CB 1.171 32.937 31.700 0.109 0.000 1.127 408 A N 0.740 123.630 122.820 0.116 0.000 2.409 408 A HA 0.421 4.741 4.320 -0.000 0.000 0.262 408 A C -0.146 177.482 177.584 0.073 0.000 1.113 408 A CA -0.189 51.902 52.037 0.091 0.000 0.790 408 A CB -0.389 18.649 19.000 0.064 0.000 1.046 408 A HN 0.325 nan 8.150 nan 0.000 0.496 409 V N 3.614 123.568 119.914 0.067 0.000 2.448 409 V HA 0.216 4.336 4.120 -0.000 0.000 0.295 409 V C 0.522 176.635 176.094 0.032 0.000 1.025 409 V CA -0.252 62.074 62.300 0.044 0.000 0.859 409 V CB 1.722 33.568 31.823 0.037 0.000 0.988 409 V HN 1.052 nan 8.190 nan 0.000 0.431 410 D N 2.742 123.157 120.400 0.024 0.000 2.355 410 D HA 0.026 4.666 4.640 -0.000 0.000 0.218 410 D C 0.941 177.251 176.300 0.017 0.000 1.004 410 D CA 0.381 54.393 54.000 0.020 0.000 0.880 410 D CB 0.374 41.184 40.800 0.018 0.000 0.911 410 D HN 0.554 nan 8.370 nan 0.000 0.528 411 G N 1.535 110.343 108.800 0.013 0.000 2.653 411 G HA2 0.367 4.327 3.960 -0.000 0.000 0.265 411 G HA3 0.367 4.327 3.960 -0.000 0.000 0.265 411 G C -2.205 172.703 174.900 0.014 0.000 1.237 411 G CA -0.815 44.291 45.100 0.009 0.000 0.946 411 G HN 0.089 nan 8.290 nan 0.000 0.522 412 P HA 0.247 nan 4.420 nan 0.000 0.277 412 P C 0.427 177.735 177.300 0.013 0.000 1.240 412 P CA -0.097 63.023 63.100 0.033 0.000 0.798 412 P CB 1.561 33.288 31.700 0.044 0.000 0.979 413 G N -0.168 108.651 108.800 0.031 0.000 3.020 413 G HA2 0.133 4.093 3.960 -0.000 0.000 0.217 413 G HA3 0.133 4.093 3.960 -0.000 0.000 0.217 413 G C -0.283 174.479 174.900 -0.230 0.000 1.144 413 G CA 0.262 45.315 45.100 -0.078 0.000 0.760 413 G HN 0.444 nan 8.290 nan 0.000 0.548 414 Y N -1.292 119.021 120.300 0.022 0.000 2.553 414 Y HA 0.581 5.131 4.550 -0.000 0.000 0.347 414 Y C -0.798 175.113 175.900 0.019 0.000 1.019 414 Y CA -0.958 57.157 58.100 0.024 0.000 1.032 414 Y CB 2.837 41.318 38.460 0.035 0.000 1.284 414 Y HN -0.172 nan 8.280 nan 0.000 0.466 415 V N 3.856 123.908 119.914 0.230 0.000 2.483 415 V HA 0.548 4.668 4.120 -0.000 0.000 0.297 415 V C -0.690 175.486 176.094 0.138 0.000 1.027 415 V CA -0.656 61.724 62.300 0.134 0.000 0.855 415 V CB 1.398 33.265 31.823 0.074 0.000 0.995 415 V HN 0.570 nan 8.190 nan 0.000 0.424 416 V N 0.000 119.973 119.914 0.099 0.000 2.409 416 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 416 V CA 0.000 62.346 62.300 0.077 0.000 1.235 416 V CB 0.000 31.855 31.823 0.054 0.000 1.184 416 V HN 0.000 nan 8.190 nan 0.000 0.556