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 2vmk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATQ QEELRVALVD GQRLYDLDIE SXXXEQKKAN IYKGKITRIE DATA SEQUENCE PSLEAAFVDY GAERHGFLPL KEIAREYFPX XXXXXXRPNI KDVLREGQEV DATA SEQUENCE IVQIDKEERG NKGAALTTFI SLAGSYLVLM PNNPRAGGIS RRIXXXXRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AGVGKSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE RPAPFLIHQE SNVIVRAFRD YLRQDIGEIL IDNPKVLELA RQHIAALGRP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSARXX XXXDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLSPSLGESS DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLHEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.638 32.600 0.064 0.000 1.302 2 K N 2.179 122.610 120.400 0.051 0.000 2.258 2 K HA 0.893 5.195 4.320 -0.030 0.000 0.284 2 K C -0.181 176.464 176.600 0.074 0.000 1.051 2 K CA -0.253 56.079 56.287 0.075 0.000 0.923 2 K CB 0.631 33.170 32.500 0.065 0.000 1.046 2 K HN 1.051 nan 8.250 nan 0.000 0.474 3 R N 1.244 121.783 120.500 0.066 0.000 2.740 3 R HA 0.521 4.842 4.340 -0.030 0.000 0.282 3 R C -0.559 175.731 176.300 -0.016 0.000 0.969 3 R CA -0.849 55.256 56.100 0.007 0.000 0.918 3 R CB 2.073 32.332 30.300 -0.069 0.000 1.175 3 R HN 0.755 nan 8.270 nan 0.000 0.464 4 M N 4.543 124.137 119.600 -0.011 0.000 2.103 4 M HA 0.319 4.781 4.480 -0.030 0.000 0.350 4 M C -1.476 174.807 176.300 -0.029 0.000 1.100 4 M CA -0.501 54.792 55.300 -0.012 0.000 1.042 4 M CB 0.457 33.100 32.600 0.070 0.000 1.368 4 M HN 0.445 nan 8.290 nan 0.000 0.404 5 L N 5.984 127.145 121.223 -0.105 0.000 2.305 5 L HA 0.432 4.754 4.340 -0.030 0.000 0.281 5 L C -0.529 176.438 176.870 0.162 0.000 1.085 5 L CA -0.251 54.559 54.840 -0.050 0.000 0.813 5 L CB 1.056 42.987 42.059 -0.214 0.000 1.157 5 L HN 0.693 nan 8.230 nan 0.000 0.436 6 I N 3.909 124.576 120.570 0.161 0.000 2.437 6 I HA 0.164 4.315 4.170 -0.030 0.000 0.279 6 I C -0.013 176.105 176.117 0.001 0.000 1.028 6 I CA -0.180 61.197 61.300 0.128 0.000 1.142 6 I CB 1.077 39.117 38.000 0.066 0.000 1.266 6 I HN 0.631 nan 8.210 nan 0.000 0.461 7 N N 5.936 124.486 118.700 -0.251 0.000 2.406 7 N HA 0.405 5.126 4.740 -0.030 0.000 0.251 7 N C -0.109 175.199 175.510 -0.338 0.000 1.069 7 N CA -0.051 52.647 53.050 -0.587 0.000 0.947 7 N CB 1.151 38.620 38.487 -1.697 0.000 1.111 7 N HN 0.707 nan 8.380 nan 0.000 0.497 8 A N 2.958 125.671 122.820 -0.178 0.000 2.795 8 A HA 0.122 4.423 4.320 -0.030 0.000 0.282 8 A C 0.937 178.478 177.584 -0.071 0.000 0.964 8 A CA -0.476 51.499 52.037 -0.104 0.000 1.045 8 A CB -0.410 18.557 19.000 -0.055 0.000 1.174 8 A HN 0.723 nan 8.150 nan 0.000 0.493 9 T N -2.968 111.533 114.554 -0.088 0.000 3.169 9 T HA 0.196 4.527 4.350 -0.030 0.000 0.250 9 T C 0.276 174.950 174.700 -0.043 0.000 1.111 9 T CA 0.272 62.341 62.100 -0.051 0.000 1.010 9 T CB -0.096 68.747 68.868 -0.041 0.000 0.984 9 T HN 0.189 nan 8.240 nan 0.000 0.537 10 Q N 1.210 120.980 119.800 -0.050 0.000 2.368 10 Q HA 0.582 4.904 4.340 -0.030 0.000 0.263 10 Q C 0.835 176.819 176.000 -0.027 0.000 1.009 10 Q CA -0.167 55.617 55.803 -0.033 0.000 0.818 10 Q CB 1.364 30.084 28.738 -0.030 0.000 1.239 10 Q HN 0.480 nan 8.270 nan 0.000 0.464 11 Q N 2.412 122.201 119.800 -0.018 0.000 2.515 11 Q HA -0.097 4.224 4.340 -0.030 0.000 0.212 11 Q C 0.939 176.933 176.000 -0.010 0.000 0.970 11 Q CA 1.491 57.286 55.803 -0.013 0.000 0.941 11 Q CB -0.247 28.486 28.738 -0.008 0.000 0.998 11 Q HN 0.687 nan 8.270 nan 0.000 0.518 12 E N -0.717 119.477 120.200 -0.010 0.000 2.166 12 E HA 0.137 4.468 4.350 -0.030 0.000 0.192 12 E C 0.681 177.276 176.600 -0.007 0.000 0.967 12 E CA 0.985 57.381 56.400 -0.006 0.000 0.840 12 E CB -0.219 29.480 29.700 -0.001 0.000 0.795 12 E HN 0.635 nan 8.360 nan 0.000 0.470 13 E N 1.452 121.644 120.200 -0.012 0.000 2.191 13 E HA 0.617 4.949 4.350 -0.030 0.000 0.278 13 E C -1.019 175.563 176.600 -0.030 0.000 0.972 13 E CA -0.784 55.609 56.400 -0.011 0.000 0.804 13 E CB 1.206 30.902 29.700 -0.007 0.000 1.110 13 E HN 0.136 nan 8.360 nan 0.000 0.394 14 L N 1.722 122.931 121.223 -0.022 0.000 2.505 14 L HA 0.580 4.902 4.340 -0.030 0.000 0.266 14 L C -0.993 175.869 176.870 -0.013 0.000 0.954 14 L CA -0.454 54.364 54.840 -0.038 0.000 0.852 14 L CB 2.143 44.181 42.059 -0.034 0.000 1.282 14 L HN 0.694 nan 8.230 nan 0.000 0.403 15 R N 4.025 124.508 120.500 -0.028 0.000 2.534 15 R HA 0.834 5.155 4.340 -0.030 0.000 0.301 15 R C -1.516 174.916 176.300 0.220 0.000 0.961 15 R CA -0.935 55.226 56.100 0.101 0.000 0.871 15 R CB 2.498 32.890 30.300 0.153 0.000 1.170 15 R HN 0.387 nan 8.270 nan 0.000 0.446 16 V N 2.053 122.078 119.914 0.185 0.000 2.407 16 V HA 0.584 4.686 4.120 -0.030 0.000 0.291 16 V C -0.434 175.673 176.094 0.022 0.000 1.018 16 V CA -0.787 61.588 62.300 0.125 0.000 0.842 16 V CB 1.621 33.459 31.823 0.024 0.000 0.996 16 V HN 0.915 nan 8.190 nan 0.000 0.426 17 A N 5.975 128.749 122.820 -0.076 0.000 2.331 17 A HA 0.885 5.186 4.320 -0.030 0.000 0.320 17 A C -0.736 176.680 177.584 -0.281 0.000 1.138 17 A CA -0.560 51.307 52.037 -0.283 0.000 0.790 17 A CB 0.891 19.562 19.000 -0.549 0.000 1.206 17 A HN 0.804 nan 8.150 nan 0.000 0.470 18 L N 1.928 122.907 121.223 -0.408 0.000 2.375 18 L HA 0.647 4.968 4.340 -0.030 0.000 0.271 18 L C -0.770 175.829 176.870 -0.451 0.000 1.107 18 L CA -0.675 53.874 54.840 -0.484 0.000 0.806 18 L CB 1.532 43.071 42.059 -0.866 0.000 1.146 18 L HN 0.424 nan 8.230 nan 0.000 0.447 19 V N 1.338 121.283 119.914 0.052 0.000 2.610 19 V HA 0.108 4.209 4.120 -0.030 0.000 0.288 19 V C -0.693 175.559 176.094 0.263 0.000 1.055 19 V CA -0.717 61.687 62.300 0.173 0.000 0.902 19 V CB 1.727 33.538 31.823 -0.020 0.000 1.030 19 V HN 0.731 nan 8.190 nan 0.000 0.448 20 D N 3.668 124.233 120.400 0.274 0.000 2.374 20 D HA 0.435 5.056 4.640 -0.030 0.000 0.240 20 D C 1.146 177.492 176.300 0.078 0.000 1.229 20 D CA 1.695 55.745 54.000 0.083 0.000 0.895 20 D CB 1.368 42.134 40.800 -0.056 0.000 1.046 20 D HN 0.889 nan 8.370 nan 0.000 0.498 21 G N 3.702 112.550 108.800 0.080 0.000 3.274 21 G HA2 -0.450 3.492 3.960 -0.030 0.000 0.313 21 G HA3 -0.450 3.492 3.960 -0.030 0.000 0.313 21 G C 0.773 175.727 174.900 0.089 0.000 1.295 21 G CA 1.087 46.231 45.100 0.073 0.000 1.004 21 G HN 0.797 nan 8.290 nan 0.000 0.614 22 Q N -0.543 119.295 119.800 0.062 0.000 2.140 22 Q HA 0.711 5.032 4.340 -0.030 0.000 0.227 22 Q C 1.468 177.497 176.000 0.048 0.000 0.798 22 Q CA 1.539 57.375 55.803 0.055 0.000 0.987 22 Q CB -0.020 28.736 28.738 0.029 0.000 1.161 22 Q HN 2.210 nan 8.270 nan 0.000 0.480 23 R N 0.974 121.513 120.500 0.066 0.000 2.498 23 R HA 0.518 4.840 4.340 -0.030 0.000 0.334 23 R C 0.427 176.810 176.300 0.139 0.000 1.106 23 R CA 0.127 56.285 56.100 0.097 0.000 0.995 23 R CB -1.708 28.649 30.300 0.096 0.000 0.989 23 R HN 0.827 nan 8.270 nan 0.000 0.455 24 L N 3.612 124.859 121.223 0.039 0.000 2.660 24 L HA 0.060 4.381 4.340 -0.030 0.000 0.272 24 L C 0.596 177.488 176.870 0.037 0.000 1.194 24 L CA 0.956 55.764 54.840 -0.054 0.000 0.945 24 L CB -0.061 41.935 42.059 -0.105 0.000 1.212 24 L HN 0.770 nan 8.230 nan 0.000 0.490 25 Y N 0.997 121.265 120.300 -0.053 0.000 2.540 25 Y HA 0.574 5.105 4.550 -0.031 0.000 0.257 25 Y C -0.196 175.682 175.900 -0.036 0.000 1.090 25 Y CA -0.813 57.266 58.100 -0.036 0.000 1.242 25 Y CB 0.340 38.786 38.460 -0.024 0.000 1.325 25 Y HN 0.531 nan 8.280 nan 0.000 0.544 26 D N 0.772 120.865 120.400 -0.513 0.000 2.706 26 D HA 0.456 5.078 4.640 -0.030 0.000 0.227 26 D C -2.199 173.914 176.300 -0.312 0.000 1.233 26 D CA -0.261 53.536 54.000 -0.338 0.000 0.768 26 D CB 2.625 43.236 40.800 -0.314 0.000 1.490 26 D HN 0.213 nan 8.370 nan 0.000 0.458 27 L N 1.958 123.070 121.223 -0.185 0.000 2.469 27 L HA 0.772 5.094 4.340 -0.030 0.000 0.256 27 L C -2.017 174.804 176.870 -0.081 0.000 1.006 27 L CA -0.292 54.466 54.840 -0.137 0.000 0.832 27 L CB 2.269 44.257 42.059 -0.119 0.000 1.421 27 L HN 0.316 nan 8.230 nan 0.000 0.410 28 D N 2.551 122.928 120.400 -0.037 0.000 2.803 28 D HA 0.535 5.156 4.640 -0.030 0.000 0.218 28 D C -1.712 174.599 176.300 0.018 0.000 1.245 28 D CA -0.029 53.959 54.000 -0.021 0.000 0.821 28 D CB 2.131 42.910 40.800 -0.036 0.000 1.626 28 D HN 0.566 nan 8.370 nan 0.000 0.487 29 I N 1.657 122.237 120.570 0.016 0.000 2.534 29 I HA 0.563 4.715 4.170 -0.030 0.000 0.286 29 I C -0.273 175.857 176.117 0.023 0.000 1.094 29 I CA -0.255 61.070 61.300 0.042 0.000 1.055 29 I CB 1.851 39.901 38.000 0.082 0.000 1.225 29 I HN 0.483 nan 8.210 nan 0.000 0.435 30 E N 4.127 124.335 120.200 0.012 0.000 2.372 30 E HA 0.617 4.949 4.350 -0.030 0.000 0.279 30 E C -0.078 176.519 176.600 -0.006 0.000 0.946 30 E CA -0.308 56.089 56.400 -0.005 0.000 0.769 30 E CB 2.061 31.747 29.700 -0.023 0.000 1.230 30 E HN 0.684 nan 8.360 nan 0.000 0.442 36 Q N 0.618 120.427 119.800 0.016 0.000 2.256 36 Q HA 0.668 4.990 4.340 -0.030 0.000 0.257 36 Q C 0.477 176.494 176.000 0.027 0.000 0.936 36 Q CA 0.067 55.880 55.803 0.016 0.000 0.903 36 Q CB 1.380 30.119 28.738 0.002 0.000 1.263 36 Q HN 0.946 nan 8.270 nan 0.000 0.440 37 K N 0.890 121.317 120.400 0.044 0.000 2.511 37 K HA 0.214 4.516 4.320 -0.030 0.000 0.209 37 K C 0.905 177.546 176.600 0.068 0.000 1.301 37 K CA 0.663 56.996 56.287 0.078 0.000 0.967 37 K CB 0.057 32.634 32.500 0.129 0.000 1.109 37 K HN 0.739 nan 8.250 nan 0.000 0.561 38 K N 0.925 121.350 120.400 0.042 0.000 2.530 38 K HA 0.187 4.489 4.320 -0.030 0.000 0.280 38 K C 0.543 177.158 176.600 0.024 0.000 1.004 38 K CA 0.977 57.282 56.287 0.029 0.000 1.071 38 K CB -0.084 32.426 32.500 0.017 0.000 0.876 38 K HN 1.121 nan 8.250 nan 0.000 0.487 39 A N 2.459 125.297 122.820 0.029 0.000 2.945 39 A HA -0.168 4.134 4.320 -0.030 0.000 0.251 39 A C -0.638 176.968 177.584 0.037 0.000 1.355 39 A CA 0.857 52.915 52.037 0.035 0.000 0.905 39 A CB -2.120 16.898 19.000 0.029 0.000 1.104 39 A HN 0.859 nan 8.150 nan 0.000 0.733 40 N N -0.240 118.470 118.700 0.018 0.000 2.529 40 N HA 0.621 5.343 4.740 -0.030 0.000 0.278 40 N C -0.120 175.315 175.510 -0.126 0.000 1.146 40 N CA 0.159 53.155 53.050 -0.091 0.000 0.980 40 N CB 0.635 39.066 38.487 -0.094 0.000 1.124 40 N HN 0.530 nan 8.380 nan 0.000 0.458 41 I N 2.404 122.841 120.570 -0.222 0.000 2.404 41 I HA 0.327 4.478 4.170 -0.030 0.000 0.293 41 I C -0.724 175.163 176.117 -0.383 0.000 0.992 41 I CA -0.654 60.577 61.300 -0.114 0.000 1.149 41 I CB 0.671 38.733 38.000 0.103 0.000 1.315 41 I HN 0.329 nan 8.210 nan 0.000 0.446 42 Y N 3.557 123.851 120.300 -0.010 0.000 2.570 42 Y HA 0.625 5.156 4.550 -0.031 0.000 0.345 42 Y C 0.439 176.213 175.900 -0.211 0.000 1.014 42 Y CA -1.048 56.994 58.100 -0.096 0.000 1.063 42 Y CB 1.088 39.559 38.460 0.019 0.000 1.272 42 Y HN 0.466 nan 8.280 nan 0.000 0.477 43 K N 0.691 120.881 120.400 -0.349 0.000 2.234 43 K HA 0.725 5.026 4.320 -0.030 0.000 0.282 43 K C -0.024 176.510 176.600 -0.109 0.000 1.039 43 K CA -0.106 55.995 56.287 -0.309 0.000 0.928 43 K CB 0.330 32.486 32.500 -0.573 0.000 1.039 43 K HN 1.023 nan 8.250 nan 0.000 0.470 44 G N -0.051 108.737 108.800 -0.020 0.000 2.571 44 G HA2 0.625 4.567 3.960 -0.030 0.000 0.304 44 G HA3 0.625 4.567 3.960 -0.030 0.000 0.304 44 G C -0.579 174.337 174.900 0.026 0.000 1.314 44 G CA -0.197 44.922 45.100 0.031 0.000 0.975 44 G HN 0.905 nan 8.290 nan 0.000 0.485 45 K N 1.443 121.873 120.400 0.051 0.000 2.183 45 K HA 0.661 4.962 4.320 -0.030 0.000 0.274 45 K C 0.187 176.800 176.600 0.023 0.000 1.009 45 K CA -0.743 55.568 56.287 0.039 0.000 0.888 45 K CB 0.815 33.347 32.500 0.054 0.000 1.078 45 K HN 0.569 nan 8.250 nan 0.000 0.459 46 I N 3.583 124.150 120.570 -0.005 0.000 2.578 46 I HA -0.039 4.113 4.170 -0.030 0.000 0.286 46 I C 1.431 177.535 176.117 -0.022 0.000 1.126 46 I CA -0.144 61.144 61.300 -0.021 0.000 1.380 46 I CB 0.593 38.569 38.000 -0.039 0.000 1.408 46 I HN 0.865 nan 8.210 nan 0.000 0.532 47 T N 6.091 120.616 114.554 -0.049 0.000 2.698 47 T HA -0.041 4.291 4.350 -0.030 0.000 0.260 47 T C 0.660 175.315 174.700 -0.074 0.000 1.044 47 T CA 0.986 63.009 62.100 -0.129 0.000 1.149 47 T CB 0.034 68.651 68.868 -0.419 0.000 0.864 47 T HN 0.696 nan 8.240 nan 0.000 0.419 48 R N -0.329 120.167 120.500 -0.006 0.000 2.629 48 R HA 0.585 4.906 4.340 -0.030 0.000 0.266 48 R C -2.026 174.341 176.300 0.113 0.000 1.051 48 R CA -0.780 55.339 56.100 0.031 0.000 0.895 48 R CB 0.775 31.066 30.300 -0.015 0.000 1.246 48 R HN 0.122 nan 8.270 nan 0.000 0.459 49 I N 1.567 122.178 120.570 0.069 0.000 2.392 49 I HA 0.281 4.433 4.170 -0.030 0.000 0.295 49 I C -0.119 176.049 176.117 0.085 0.000 0.985 49 I CA -0.659 60.675 61.300 0.056 0.000 1.221 49 I CB 1.812 39.826 38.000 0.023 0.000 1.366 49 I HN 0.471 nan 8.210 nan 0.000 0.467 50 E N 7.602 127.852 120.200 0.083 0.000 2.207 50 E HA 0.234 4.565 4.350 -0.030 0.000 0.250 50 E C -1.980 174.653 176.600 0.056 0.000 0.890 50 E CA -1.615 54.846 56.400 0.100 0.000 0.749 50 E CB 1.778 31.591 29.700 0.190 0.000 1.193 50 E HN 0.336 nan 8.360 nan 0.000 0.423 51 P HA -0.096 nan 4.420 nan 0.000 0.223 51 P C 1.405 178.729 177.300 0.040 0.000 1.151 51 P CA 0.713 63.832 63.100 0.033 0.000 0.787 51 P CB 0.584 32.301 31.700 0.028 0.000 0.788 52 S N -0.206 115.527 115.700 0.055 0.000 2.383 52 S HA -0.030 4.422 4.470 -0.030 0.000 0.227 52 S C 1.657 176.300 174.600 0.071 0.000 1.026 52 S CA 0.809 59.044 58.200 0.059 0.000 0.981 52 S CB -0.719 62.521 63.200 0.067 0.000 0.818 52 S HN 0.071 nan 8.310 nan 0.000 0.472 53 L N 1.155 122.434 121.223 0.093 0.000 2.667 53 L HA 0.403 4.724 4.340 -0.030 0.000 0.232 53 L C 0.986 177.903 176.870 0.078 0.000 1.138 53 L CA 0.526 55.438 54.840 0.119 0.000 0.921 53 L CB -0.915 41.272 42.059 0.214 0.000 1.180 53 L HN 0.445 nan 8.230 nan 0.000 0.487 54 E N 0.362 120.585 120.200 0.038 0.000 2.199 54 E HA -0.013 4.319 4.350 -0.030 0.000 0.208 54 E C 0.210 176.774 176.600 -0.060 0.000 1.310 54 E CA 0.761 57.163 56.400 0.004 0.000 0.709 54 E CB -2.055 27.656 29.700 0.018 0.000 1.127 54 E HN 0.682 nan 8.360 nan 0.000 0.354 55 A N -1.649 121.098 122.820 -0.123 0.000 2.588 55 A HA 1.130 5.432 4.320 -0.030 0.000 0.290 55 A C -0.072 177.301 177.584 -0.351 0.000 1.136 55 A CA 0.146 51.966 52.037 -0.361 0.000 0.681 55 A CB 0.965 19.564 19.000 -0.669 0.000 1.282 55 A HN 2.011 nan 8.150 nan 0.000 0.421 56 A N -0.642 121.848 122.820 -0.550 0.000 2.569 56 A HA 0.873 5.175 4.320 -0.030 0.000 0.290 56 A C -1.689 175.554 177.584 -0.569 0.000 1.136 56 A CA -0.460 51.356 52.037 -0.368 0.000 0.710 56 A CB 0.856 19.731 19.000 -0.208 0.000 1.303 56 A HN 0.983 nan 8.150 nan 0.000 0.413 57 F N 0.222 120.095 119.950 -0.129 0.000 2.482 57 F HA 0.589 5.098 4.527 -0.031 0.000 0.331 57 F C -0.087 175.665 175.800 -0.078 0.000 1.115 57 F CA -0.452 57.505 58.000 -0.072 0.000 0.955 57 F CB 2.445 41.404 39.000 -0.070 0.000 1.136 57 F HN 0.290 nan 8.300 nan 0.000 0.452 58 V N 1.938 121.945 119.914 0.155 0.000 2.487 58 V HA 0.248 4.350 4.120 -0.030 0.000 0.298 58 V C -0.827 175.454 176.094 0.312 0.000 1.028 58 V CA -0.875 61.506 62.300 0.135 0.000 0.860 58 V CB 1.798 33.648 31.823 0.045 0.000 0.991 58 V HN 0.566 nan 8.190 nan 0.000 0.427 59 D N 3.474 124.045 120.400 0.284 0.000 2.422 59 D HA 0.146 4.768 4.640 -0.030 0.000 0.227 59 D C 0.289 176.664 176.300 0.125 0.000 1.190 59 D CA -0.275 53.906 54.000 0.301 0.000 0.905 59 D CB 0.469 41.442 40.800 0.287 0.000 1.034 59 D HN 0.677 nan 8.370 nan 0.000 0.507 60 Y N 1.842 122.092 120.300 -0.083 0.000 2.571 60 Y HA 0.476 5.007 4.550 -0.031 0.000 0.275 60 Y C 1.304 177.026 175.900 -0.298 0.000 1.179 60 Y CA -0.134 57.811 58.100 -0.259 0.000 1.242 60 Y CB 0.449 38.592 38.460 -0.527 0.000 1.126 60 Y HN 0.323 nan 8.280 nan 0.000 0.524 61 G N 0.111 108.673 108.800 -0.396 0.000 2.259 61 G HA2 -0.174 3.767 3.960 -0.030 0.000 0.217 61 G HA3 -0.174 3.767 3.960 -0.030 0.000 0.217 61 G C 0.499 175.165 174.900 -0.390 0.000 1.001 61 G CA -0.329 44.606 45.100 -0.274 0.000 0.627 61 G HN 0.900 nan 8.290 nan 0.000 0.501 62 A N 0.319 122.699 122.820 -0.734 0.000 2.332 62 A HA 0.716 5.018 4.320 -0.030 0.000 0.258 62 A C 1.407 178.752 177.584 -0.398 0.000 1.087 62 A CA 1.573 53.269 52.037 -0.568 0.000 0.802 62 A CB 0.226 18.764 19.000 -0.770 0.000 1.042 62 A HN 1.580 nan 8.150 nan 0.000 0.489 63 E N -0.418 119.625 120.200 -0.261 0.000 2.333 63 E HA 0.167 4.499 4.350 -0.030 0.000 0.198 63 E C 1.024 177.470 176.600 -0.256 0.000 1.007 63 E CA 1.839 58.110 56.400 -0.214 0.000 0.845 63 E CB -0.731 28.890 29.700 -0.130 0.000 0.766 63 E HN 1.292 nan 8.360 nan 0.000 0.507 64 R N 0.892 121.239 120.500 -0.255 0.000 2.599 64 R HA 0.540 4.862 4.340 -0.030 0.000 0.295 64 R C -0.359 175.843 176.300 -0.163 0.000 0.963 64 R CA -0.629 55.357 56.100 -0.189 0.000 0.883 64 R CB 0.245 30.519 30.300 -0.043 0.000 1.171 64 R HN 0.549 nan 8.270 nan 0.000 0.450 65 H N 0.822 119.939 119.070 0.078 0.000 2.764 65 H HA 0.332 4.870 4.556 -0.030 0.000 0.341 65 H C 1.032 176.559 175.328 0.332 0.000 1.072 65 H CA 0.750 56.908 56.048 0.184 0.000 1.444 65 H CB 1.340 31.234 29.762 0.220 0.000 1.458 65 H HN 0.928 nan 8.280 nan 0.000 0.572 66 G N 1.352 110.457 108.800 0.509 0.000 2.651 66 G HA2 0.247 4.189 3.960 -0.030 0.000 0.260 66 G HA3 0.247 4.189 3.960 -0.030 0.000 0.260 66 G C -1.054 173.990 174.900 0.239 0.000 1.216 66 G CA -0.391 44.916 45.100 0.346 0.000 0.913 66 G HN 0.491 nan 8.290 nan 0.000 0.535 67 F N 0.545 120.449 119.950 -0.077 0.000 2.460 67 F HA 0.569 5.077 4.527 -0.030 0.000 0.341 67 F C -0.890 174.767 175.800 -0.238 0.000 1.130 67 F CA -1.165 56.663 58.000 -0.286 0.000 0.962 67 F CB 1.842 40.708 39.000 -0.224 0.000 1.171 67 F HN 0.294 nan 8.300 nan 0.000 0.436 68 L N 9.923 130.691 121.223 -0.758 0.000 2.337 68 L HA 0.610 4.932 4.340 -0.030 0.000 0.269 68 L C -2.455 174.001 176.870 -0.689 0.000 1.018 68 L CA -2.231 52.277 54.840 -0.553 0.000 0.876 68 L CB 0.795 42.632 42.059 -0.371 0.000 1.236 68 L HN 0.331 nan 8.230 nan 0.000 0.436 69 P HA 0.025 nan 4.420 nan 0.000 0.274 69 P C 0.738 177.933 177.300 -0.175 0.000 1.237 69 P CA -0.463 62.417 63.100 -0.367 0.000 0.793 69 P CB 1.229 32.869 31.700 -0.100 0.000 0.977 70 L N 2.875 124.047 121.223 -0.086 0.000 2.042 70 L HA -0.198 4.124 4.340 -0.030 0.000 0.210 70 L C 2.667 179.598 176.870 0.102 0.000 1.076 70 L CA 3.057 57.910 54.840 0.022 0.000 0.749 70 L CB -1.751 40.338 42.059 0.050 0.000 0.893 70 L HN 0.427 nan 8.230 nan 0.000 0.432 71 K N -0.886 119.569 120.400 0.092 0.000 2.442 71 K HA -0.136 4.165 4.320 -0.030 0.000 0.199 71 K C 1.721 178.479 176.600 0.263 0.000 1.044 71 K CA 1.775 58.155 56.287 0.155 0.000 0.941 71 K CB -0.657 31.907 32.500 0.107 0.000 0.759 71 K HN 0.572 nan 8.250 nan 0.000 0.472 72 E N -0.921 119.372 120.200 0.154 0.000 2.460 72 E HA 0.231 4.563 4.350 -0.030 0.000 0.200 72 E C -0.110 176.322 176.600 -0.280 0.000 1.011 72 E CA -0.179 56.295 56.400 0.124 0.000 0.912 72 E CB 0.194 29.902 29.700 0.012 0.000 0.953 72 E HN 0.656 nan 8.360 nan 0.000 0.494 73 I N 1.842 122.281 120.570 -0.218 0.000 2.416 73 I HA 0.105 4.257 4.170 -0.030 0.000 0.288 73 I C 0.597 176.372 176.117 -0.571 0.000 1.051 73 I CA -0.469 60.549 61.300 -0.470 0.000 1.375 73 I CB 1.009 38.754 38.000 -0.425 0.000 1.407 73 I HN -0.134 nan 8.210 nan 0.000 0.516 74 A N 5.160 127.555 122.820 -0.708 0.000 2.445 74 A HA 0.444 4.746 4.320 -0.030 0.000 0.242 74 A C 1.652 179.128 177.584 -0.179 0.000 1.075 74 A CA 0.152 51.942 52.037 -0.411 0.000 0.777 74 A CB 0.310 19.178 19.000 -0.220 0.000 1.013 74 A HN 0.918 nan 8.150 nan 0.000 0.493 75 R N 0.911 121.520 120.500 0.182 0.000 2.200 75 R HA -0.162 4.159 4.340 -0.030 0.000 0.234 75 R C 1.694 178.056 176.300 0.103 0.000 1.127 75 R CA 2.193 58.502 56.100 0.348 0.000 0.989 75 R CB -1.383 29.099 30.300 0.304 0.000 0.869 75 R HN 0.990 nan 8.270 nan 0.000 0.459 76 E N -0.976 119.200 120.200 -0.041 0.000 2.204 76 E HA -0.194 4.138 4.350 -0.030 0.000 0.195 76 E C 0.915 177.309 176.600 -0.343 0.000 0.990 76 E CA 1.360 57.645 56.400 -0.191 0.000 0.821 76 E CB -0.189 29.343 29.700 -0.281 0.000 0.750 76 E HN 0.795 nan 8.360 nan 0.000 0.477 77 Y N -0.996 119.142 120.300 -0.270 0.000 2.457 77 Y HA 0.219 4.751 4.550 -0.030 0.000 0.263 77 Y C -0.015 175.689 175.900 -0.326 0.000 1.164 77 Y CA -0.326 57.588 58.100 -0.311 0.000 1.274 77 Y CB 0.352 38.570 38.460 -0.403 0.000 1.097 77 Y HN -0.080 nan 8.280 nan 0.000 0.523 78 F N 2.736 122.730 119.950 0.073 0.000 2.567 78 F HA 0.274 4.783 4.527 -0.031 0.000 0.352 78 F C -1.428 174.387 175.800 0.026 0.000 1.229 78 F CA -2.631 55.396 58.000 0.046 0.000 1.228 78 F CB -0.568 38.456 39.000 0.039 0.000 1.568 78 F HN -0.014 nan 8.300 nan 0.000 0.634 88 P HA 0.658 nan 4.420 nan 0.000 0.284 88 P C -0.074 177.190 177.300 -0.059 0.000 1.258 88 P CA -0.252 62.788 63.100 -0.100 0.000 0.824 88 P CB 1.161 32.752 31.700 -0.183 0.000 1.038 89 N N 1.125 119.807 118.700 -0.029 0.000 2.529 89 N HA 0.135 4.857 4.740 -0.030 0.000 0.278 89 N C 1.263 176.780 175.510 0.012 0.000 1.146 89 N CA -0.584 52.463 53.050 -0.006 0.000 0.980 89 N CB 0.120 38.608 38.487 0.002 0.000 1.124 89 N HN 0.517 nan 8.380 nan 0.000 0.458 90 I N 0.740 121.323 120.570 0.021 0.000 2.361 90 I HA -0.240 3.912 4.170 -0.030 0.000 0.251 90 I C 3.072 179.213 176.117 0.040 0.000 1.133 90 I CA 1.954 63.279 61.300 0.040 0.000 1.413 90 I CB -0.622 37.383 38.000 0.009 0.000 1.073 90 I HN 0.876 nan 8.210 nan 0.000 0.424 91 K N 0.623 121.040 120.400 0.028 0.000 2.280 91 K HA -0.198 4.104 4.320 -0.030 0.000 0.202 91 K C 1.570 178.191 176.600 0.034 0.000 1.047 91 K CA 1.876 58.179 56.287 0.028 0.000 0.942 91 K CB -1.769 30.744 32.500 0.022 0.000 0.739 91 K HN 0.663 nan 8.250 nan 0.000 0.457 92 D N -0.621 119.802 120.400 0.038 0.000 2.350 92 D HA 0.312 4.934 4.640 -0.030 0.000 0.213 92 D C 1.841 178.188 176.300 0.078 0.000 1.031 92 D CA 0.938 54.963 54.000 0.041 0.000 0.861 92 D CB 0.134 40.946 40.800 0.020 0.000 0.926 92 D HN 0.232 nan 8.370 nan 0.000 0.520 93 V N -0.229 119.755 119.914 0.117 0.000 2.627 93 V HA 0.297 4.399 4.120 -0.030 0.000 0.239 93 V C 0.801 176.987 176.094 0.153 0.000 1.077 93 V CA 0.376 62.818 62.300 0.237 0.000 1.103 93 V CB 0.386 32.463 31.823 0.423 0.000 0.802 93 V HN 0.404 nan 8.190 nan 0.000 0.482 94 L N 0.820 122.093 121.223 0.083 0.000 2.331 94 L HA 0.550 4.872 4.340 -0.030 0.000 0.275 94 L C -0.100 176.785 176.870 0.025 0.000 1.022 94 L CA -0.717 54.141 54.840 0.029 0.000 0.812 94 L CB 1.370 43.417 42.059 -0.021 0.000 1.257 94 L HN 0.125 nan 8.230 nan 0.000 0.435 95 R N 1.204 121.716 120.500 0.019 0.000 2.500 95 R HA 0.240 4.562 4.340 -0.030 0.000 0.277 95 R C -0.407 175.898 176.300 0.007 0.000 1.026 95 R CA -0.744 55.366 56.100 0.017 0.000 1.058 95 R CB 1.161 31.473 30.300 0.021 0.000 1.078 95 R HN 0.570 nan 8.270 nan 0.000 0.509 96 E N 0.010 120.215 120.200 0.007 0.000 2.376 96 E HA 0.201 4.533 4.350 -0.030 0.000 0.266 96 E C 0.408 177.011 176.600 0.005 0.000 1.009 96 E CA 0.826 57.227 56.400 0.002 0.000 0.902 96 E CB 0.244 29.945 29.700 0.002 0.000 0.972 96 E HN 0.747 nan 8.360 nan 0.000 0.439 97 G N 3.431 112.233 108.800 0.003 0.000 2.136 97 G HA2 -0.340 3.602 3.960 -0.030 0.000 0.242 97 G HA3 -0.340 3.602 3.960 -0.030 0.000 0.242 97 G C 0.052 174.963 174.900 0.018 0.000 0.989 97 G CA 0.387 45.494 45.100 0.012 0.000 0.682 97 G HN 0.624 nan 8.290 nan 0.000 0.522 98 Q N 0.485 120.292 119.800 0.012 0.000 2.267 98 Q HA 0.458 4.780 4.340 -0.030 0.000 0.255 98 Q C 0.240 176.252 176.000 0.019 0.000 0.923 98 Q CA -0.370 55.445 55.803 0.019 0.000 0.925 98 Q CB 0.519 29.265 28.738 0.014 0.000 1.195 98 Q HN 0.572 nan 8.270 nan 0.000 0.417 99 E N 1.733 121.958 120.200 0.041 0.000 2.343 99 E HA 0.406 4.737 4.350 -0.030 0.000 0.269 99 E C -1.156 175.478 176.600 0.056 0.000 1.047 99 E CA -0.482 55.947 56.400 0.048 0.000 0.874 99 E CB 1.634 31.377 29.700 0.071 0.000 1.033 99 E HN 0.320 nan 8.360 nan 0.000 0.409 100 V N 1.672 121.598 119.914 0.019 0.000 2.823 100 V HA 0.217 4.319 4.120 -0.030 0.000 0.296 100 V C -0.111 175.959 176.094 -0.039 0.000 1.250 100 V CA -0.703 61.571 62.300 -0.042 0.000 0.939 100 V CB 1.606 33.247 31.823 -0.303 0.000 1.062 100 V HN 0.689 nan 8.190 nan 0.000 0.433 101 I N 4.528 125.134 120.570 0.059 0.000 2.436 101 I HA 0.767 4.919 4.170 -0.030 0.000 0.289 101 I C -0.164 175.967 176.117 0.023 0.000 1.083 101 I CA 0.141 61.485 61.300 0.074 0.000 1.372 101 I CB 0.697 38.808 38.000 0.186 0.000 1.408 101 I HN 0.464 nan 8.210 nan 0.000 0.516 102 V N 5.676 125.604 119.914 0.023 0.000 2.709 102 V HA 0.578 4.680 4.120 -0.030 0.000 0.308 102 V C -0.203 175.925 176.094 0.056 0.000 1.062 102 V CA -0.688 61.603 62.300 -0.015 0.000 0.901 102 V CB 1.728 33.516 31.823 -0.059 0.000 1.003 102 V HN 1.017 nan 8.190 nan 0.000 0.425 103 Q N 3.003 122.815 119.800 0.019 0.000 2.345 103 Q HA 0.637 4.959 4.340 -0.030 0.000 0.268 103 Q C -1.251 174.745 176.000 -0.007 0.000 1.054 103 Q CA -0.796 55.031 55.803 0.041 0.000 0.835 103 Q CB 2.152 30.917 28.738 0.045 0.000 1.339 103 Q HN 0.729 nan 8.270 nan 0.000 0.447 104 I N 3.753 124.327 120.570 0.008 0.000 2.379 104 I HA 0.009 4.161 4.170 -0.030 0.000 0.290 104 I C 0.267 176.380 176.117 -0.006 0.000 1.063 104 I CA -0.242 61.036 61.300 -0.037 0.000 1.351 104 I CB 0.846 38.837 38.000 -0.015 0.000 1.410 104 I HN 0.742 nan 8.210 nan 0.000 0.505 105 D N 5.295 125.690 120.400 -0.009 0.000 2.120 105 D HA 0.033 4.655 4.640 -0.030 0.000 0.202 105 D C 0.237 176.543 176.300 0.010 0.000 0.972 105 D CA 1.507 55.513 54.000 0.009 0.000 0.837 105 D CB 0.386 41.197 40.800 0.019 0.000 0.989 105 D HN 0.455 nan 8.370 nan 0.000 0.469 106 K N 0.886 121.291 120.400 0.009 0.000 2.468 106 K HA 0.267 4.569 4.320 -0.030 0.000 0.252 106 K C -0.375 176.235 176.600 0.017 0.000 0.932 106 K CA -0.691 55.604 56.287 0.013 0.000 0.794 106 K CB 2.774 35.282 32.500 0.013 0.000 1.241 106 K HN -0.104 nan 8.250 nan 0.000 0.428 107 E N 1.353 121.568 120.200 0.024 0.000 2.442 107 E HA -0.036 4.296 4.350 -0.030 0.000 0.260 107 E C 0.310 176.935 176.600 0.042 0.000 1.148 107 E CA 0.136 56.559 56.400 0.039 0.000 0.976 107 E CB 0.200 29.921 29.700 0.035 0.000 0.967 107 E HN 0.724 nan 8.360 nan 0.000 0.454 108 E N 0.327 120.563 120.200 0.061 0.000 2.417 108 E HA 0.346 4.677 4.350 -0.030 0.000 0.261 108 E C 0.207 176.827 176.600 0.033 0.000 1.000 108 E CA 0.264 56.699 56.400 0.058 0.000 0.919 108 E CB -0.040 29.703 29.700 0.072 0.000 0.955 108 E HN 0.534 nan 8.360 nan 0.000 0.455 109 R N 1.417 121.930 120.500 0.021 0.000 2.476 109 R HA 0.784 5.105 4.340 -0.030 0.000 0.305 109 R C 1.295 177.598 176.300 0.005 0.000 0.965 109 R CA 0.557 56.662 56.100 0.009 0.000 0.867 109 R CB 0.494 30.795 30.300 0.000 0.000 1.176 109 R HN 2.287 nan 8.270 nan 0.000 0.447 110 G N 0.985 109.787 108.800 0.005 0.000 2.634 110 G HA2 -0.309 3.633 3.960 -0.030 0.000 0.318 110 G HA3 -0.309 3.633 3.960 -0.030 0.000 0.318 110 G C 1.354 176.257 174.900 0.005 0.000 1.207 110 G CA 1.664 46.765 45.100 0.002 0.000 0.987 110 G HN 1.957 nan 8.290 nan 0.000 0.547 111 N N 0.601 119.303 118.700 0.003 0.000 2.412 111 N HA 0.533 5.255 4.740 -0.030 0.000 0.184 111 N C 1.205 176.727 175.510 0.021 0.000 1.101 111 N CA 2.340 55.395 53.050 0.009 0.000 0.881 111 N CB -0.243 38.247 38.487 0.004 0.000 0.969 111 N HN 1.613 nan 8.380 nan 0.000 0.459 112 K N 0.985 121.393 120.400 0.013 0.000 2.211 112 K HA 0.673 4.975 4.320 -0.030 0.000 0.275 112 K C 0.783 177.415 176.600 0.053 0.000 1.024 112 K CA -0.195 56.100 56.287 0.013 0.000 0.887 112 K CB 0.202 32.676 32.500 -0.043 0.000 1.084 112 K HN 0.595 nan 8.250 nan 0.000 0.463 113 G N 0.554 109.423 108.800 0.116 0.000 2.636 113 G HA2 0.481 4.422 3.960 -0.030 0.000 0.246 113 G HA3 0.481 4.422 3.960 -0.030 0.000 0.246 113 G C 0.546 175.529 174.900 0.139 0.000 1.216 113 G CA 0.161 45.363 45.100 0.170 0.000 0.854 113 G HN 1.396 nan 8.290 nan 0.000 0.572 114 A N 0.118 123.026 122.820 0.148 0.000 2.531 114 A HA 0.513 4.815 4.320 -0.030 0.000 0.236 114 A C 1.030 178.646 177.584 0.054 0.000 1.062 114 A CA 0.489 52.563 52.037 0.062 0.000 0.760 114 A CB -0.075 18.918 19.000 -0.011 0.000 0.995 114 A HN 1.910 nan 8.150 nan 0.000 0.501 115 A N 2.468 125.314 122.820 0.044 0.000 2.409 115 A HA 0.552 4.854 4.320 -0.030 0.000 0.267 115 A C -0.063 177.522 177.584 0.003 0.000 1.127 115 A CA -0.065 52.020 52.037 0.079 0.000 0.795 115 A CB -0.246 18.800 19.000 0.076 0.000 1.061 115 A HN 0.794 nan 8.150 nan 0.000 0.502 116 L N 2.257 123.468 121.223 -0.020 0.000 2.346 116 L HA 0.728 5.050 4.340 -0.030 0.000 0.274 116 L C 0.415 177.235 176.870 -0.083 0.000 1.007 116 L CA -0.561 54.222 54.840 -0.095 0.000 0.818 116 L CB 2.469 44.431 42.059 -0.162 0.000 1.284 116 L HN 0.831 nan 8.230 nan 0.000 0.424 117 T N -2.917 111.594 114.554 -0.072 0.000 2.900 117 T HA 0.306 4.638 4.350 -0.030 0.000 0.295 117 T C 0.633 175.261 174.700 -0.120 0.000 1.044 117 T CA 0.023 62.082 62.100 -0.067 0.000 0.995 117 T CB 1.881 70.777 68.868 0.046 0.000 1.072 117 T HN 0.742 nan 8.240 nan 0.000 0.473 118 T N 0.017 114.418 114.554 -0.255 0.000 3.035 118 T HA 0.193 4.525 4.350 -0.030 0.000 0.259 118 T C 0.489 175.072 174.700 -0.194 0.000 1.078 118 T CA -0.004 61.919 62.100 -0.295 0.000 1.132 118 T CB -0.612 67.936 68.868 -0.534 0.000 0.900 118 T HN 0.493 nan 8.240 nan 0.000 0.480 119 F N 2.599 122.534 119.950 -0.025 0.000 2.574 119 F HA 0.367 4.875 4.527 -0.031 0.000 0.332 119 F C 0.536 176.301 175.800 -0.058 0.000 1.289 119 F CA -1.649 56.330 58.000 -0.035 0.000 1.029 119 F CB -1.154 37.826 39.000 -0.033 0.000 1.346 119 F HN 0.144 nan 8.300 nan 0.000 0.647 120 I N 2.337 122.938 120.570 0.053 0.000 2.634 120 I HA 0.130 4.282 4.170 -0.030 0.000 0.284 120 I C 0.377 176.442 176.117 -0.086 0.000 1.124 120 I CA 0.027 61.318 61.300 -0.016 0.000 1.417 120 I CB 0.773 38.761 38.000 -0.020 0.000 1.396 120 I HN 0.485 nan 8.210 nan 0.000 0.571 121 S N 7.072 122.736 115.700 -0.060 0.000 2.594 121 S HA 0.635 5.087 4.470 -0.030 0.000 0.296 121 S C -0.870 173.674 174.600 -0.092 0.000 1.124 121 S CA -0.917 57.231 58.200 -0.085 0.000 1.011 121 S CB 1.146 64.316 63.200 -0.050 0.000 1.016 121 S HN 0.463 nan 8.310 nan 0.000 0.485 122 L N 3.224 124.368 121.223 -0.131 0.000 2.297 122 L HA 0.621 4.943 4.340 -0.030 0.000 0.277 122 L C 0.473 177.271 176.870 -0.119 0.000 1.040 122 L CA -0.765 53.978 54.840 -0.161 0.000 0.867 122 L CB 1.070 43.001 42.059 -0.214 0.000 1.244 122 L HN 0.926 nan 8.230 nan 0.000 0.433 123 A N 2.614 125.379 122.820 -0.091 0.000 2.404 123 A HA 0.621 4.923 4.320 -0.030 0.000 0.273 123 A C 0.650 178.189 177.584 -0.074 0.000 1.144 123 A CA 0.193 52.189 52.037 -0.068 0.000 0.806 123 A CB 0.455 19.425 19.000 -0.050 0.000 1.080 123 A HN 0.740 nan 8.150 nan 0.000 0.509 124 G N 0.573 109.333 108.800 -0.067 0.000 2.736 124 G HA2 0.412 4.354 3.960 -0.030 0.000 0.229 124 G HA3 0.412 4.354 3.960 -0.030 0.000 0.229 124 G C 1.008 175.826 174.900 -0.137 0.000 1.380 124 G CA 0.458 45.514 45.100 -0.074 0.000 1.040 124 G HN 0.589 nan 8.290 nan 0.000 0.568 125 S N -1.225 114.325 115.700 -0.250 0.000 2.377 125 S HA 0.003 4.455 4.470 -0.030 0.000 0.223 125 S C 1.635 175.860 174.600 -0.624 0.000 1.030 125 S CA 1.248 59.118 58.200 -0.550 0.000 0.970 125 S CB -0.257 62.379 63.200 -0.940 0.000 0.830 125 S HN 0.512 nan 8.310 nan 0.000 0.473 126 Y N -0.190 120.110 120.300 0.000 0.000 2.430 126 Y HA 0.514 5.045 4.550 -0.031 0.000 0.254 126 Y C 0.296 176.190 175.900 -0.011 0.000 1.088 126 Y CA -0.451 57.647 58.100 -0.004 0.000 1.267 126 Y CB 0.374 38.833 38.460 -0.001 0.000 1.204 126 Y HN 0.015 nan 8.280 nan 0.000 0.515 127 L N 0.430 121.706 121.223 0.087 0.000 2.354 127 L HA 0.661 4.983 4.340 -0.030 0.000 0.269 127 L C -1.044 175.823 176.870 -0.006 0.000 1.005 127 L CA -1.139 53.728 54.840 0.045 0.000 0.819 127 L CB 2.671 44.761 42.059 0.052 0.000 1.311 127 L HN -0.379 nan 8.230 nan 0.000 0.423 128 V N 3.626 123.529 119.914 -0.018 0.000 2.304 128 V HA 0.237 4.339 4.120 -0.030 0.000 0.278 128 V C -0.174 175.885 176.094 -0.058 0.000 1.018 128 V CA -0.491 61.783 62.300 -0.044 0.000 0.814 128 V CB 1.487 33.285 31.823 -0.042 0.000 1.021 128 V HN 0.425 nan 8.190 nan 0.000 0.440 129 L N 6.820 127.997 121.223 -0.076 0.000 2.410 129 L HA 0.388 4.710 4.340 -0.030 0.000 0.273 129 L C 0.314 177.094 176.870 -0.150 0.000 1.144 129 L CA 0.627 55.404 54.840 -0.105 0.000 0.863 129 L CB 0.789 42.783 42.059 -0.109 0.000 1.140 129 L HN 0.527 nan 8.230 nan 0.000 0.463 130 M N 7.681 127.192 119.600 -0.149 0.000 2.901 130 M HA 0.285 4.747 4.480 -0.030 0.000 0.294 130 M C -1.812 174.343 176.300 -0.242 0.000 1.255 130 M CA -1.846 53.351 55.300 -0.171 0.000 1.274 130 M CB 0.269 32.802 32.600 -0.112 0.000 1.173 130 M HN 0.343 nan 8.290 nan 0.000 0.525 131 P HA -0.085 nan 4.420 nan 0.000 0.228 131 P C 1.054 178.109 177.300 -0.409 0.000 1.151 131 P CA 1.293 64.026 63.100 -0.612 0.000 0.770 131 P CB 0.224 30.987 31.700 -1.561 0.000 0.786 132 N N -0.331 118.197 118.700 -0.288 0.000 2.432 132 N HA -0.018 4.703 4.740 -0.030 0.000 0.174 132 N C 0.074 175.654 175.510 0.117 0.000 1.037 132 N CA 0.248 53.266 53.050 -0.053 0.000 0.892 132 N CB 0.026 38.522 38.487 0.015 0.000 1.049 132 N HN 0.139 nan 8.380 nan 0.000 0.442 133 N N -0.542 118.207 118.700 0.083 0.000 2.295 133 N HA 0.274 4.995 4.740 -0.030 0.000 0.293 133 N C -2.766 172.718 175.510 -0.042 0.000 1.040 133 N CA -1.264 51.816 53.050 0.051 0.000 0.840 133 N CB 2.943 41.394 38.487 -0.059 0.000 1.468 133 N HN -0.119 nan 8.380 nan 0.000 0.478 134 P HA 0.106 nan 4.420 nan 0.000 0.257 134 P C 1.136 178.404 177.300 -0.054 0.000 1.241 134 P CA 0.487 63.564 63.100 -0.038 0.000 0.816 134 P CB 0.253 31.945 31.700 -0.014 0.000 1.150 135 R N 0.507 120.960 120.500 -0.078 0.000 2.235 135 R HA 0.384 4.705 4.340 -0.030 0.000 0.213 135 R C 1.405 177.647 176.300 -0.098 0.000 1.059 135 R CA 1.142 57.191 56.100 -0.085 0.000 0.997 135 R CB -1.165 29.072 30.300 -0.104 0.000 0.884 135 R HN 0.391 nan 8.270 nan 0.000 0.462 136 A N -0.366 122.385 122.820 -0.115 0.000 2.304 136 A HA 0.795 5.097 4.320 -0.030 0.000 0.323 136 A C 0.526 178.065 177.584 -0.074 0.000 1.195 136 A CA -0.085 51.891 52.037 -0.101 0.000 0.826 136 A CB 0.958 19.880 19.000 -0.130 0.000 1.184 136 A HN 1.324 nan 8.150 nan 0.000 0.496 137 G N -0.289 108.477 108.800 -0.057 0.000 2.315 137 G HA2 0.746 4.688 3.960 -0.030 0.000 0.294 137 G HA3 0.746 4.688 3.960 -0.030 0.000 0.294 137 G C -0.044 174.836 174.900 -0.033 0.000 1.300 137 G CA 0.555 45.629 45.100 -0.044 0.000 0.843 137 G HN 2.702 nan 8.290 nan 0.000 0.527 138 G N -1.533 107.252 108.800 -0.025 0.000 2.483 138 G HA2 0.451 4.393 3.960 -0.030 0.000 0.521 138 G HA3 0.451 4.393 3.960 -0.030 0.000 0.521 138 G C -0.156 174.735 174.900 -0.015 0.000 1.278 138 G CA 0.231 45.319 45.100 -0.019 0.000 0.965 138 G HN 2.176 nan 8.290 nan 0.000 0.504 139 I N -1.377 119.186 120.570 -0.011 0.000 2.664 139 I HA 0.799 4.951 4.170 -0.030 0.000 0.308 139 I C 0.764 176.876 176.117 -0.008 0.000 0.984 139 I CA -0.185 61.111 61.300 -0.007 0.000 1.213 139 I CB 1.866 39.862 38.000 -0.005 0.000 1.379 139 I HN 1.033 nan 8.210 nan 0.000 0.501 140 S N 3.082 118.779 115.700 -0.005 0.000 2.617 140 S HA 0.488 4.939 4.470 -0.030 0.000 0.269 140 S C 1.459 176.055 174.600 -0.006 0.000 1.292 140 S CA 0.130 58.327 58.200 -0.006 0.000 1.010 140 S CB 1.528 64.727 63.200 -0.003 0.000 0.944 140 S HN 0.977 nan 8.310 nan 0.000 0.536 141 R N 2.733 123.228 120.500 -0.007 0.000 2.096 141 R HA 0.027 4.349 4.340 -0.030 0.000 0.235 141 R C 2.314 178.611 176.300 -0.005 0.000 1.127 141 R CA 2.099 58.195 56.100 -0.007 0.000 0.968 141 R CB -1.630 28.665 30.300 -0.008 0.000 0.861 141 R HN 0.871 nan 8.270 nan 0.000 0.440 142 R N -0.580 119.917 120.500 -0.004 0.000 2.152 142 R HA 0.017 4.339 4.340 -0.030 0.000 0.232 142 R C 0.723 177.023 176.300 -0.001 0.000 1.117 142 R CA 0.703 56.802 56.100 -0.002 0.000 0.981 142 R CB -0.332 29.967 30.300 -0.002 0.000 0.870 142 R HN 0.369 nan 8.270 nan 0.000 0.451 149 T N -0.399 114.151 114.554 -0.007 0.000 2.746 149 T HA 0.135 4.467 4.350 -0.030 0.000 0.267 149 T C 2.142 176.836 174.700 -0.009 0.000 1.039 149 T CA 3.120 65.216 62.100 -0.007 0.000 1.142 149 T CB -0.309 68.555 68.868 -0.006 0.000 0.866 149 T HN 0.923 nan 8.240 nan 0.000 0.444 150 E N 0.469 120.662 120.200 -0.011 0.000 2.216 150 E HA 0.432 4.763 4.350 -0.030 0.000 0.192 150 E C 2.508 179.098 176.600 -0.018 0.000 0.988 150 E CA 1.217 57.608 56.400 -0.015 0.000 0.834 150 E CB -1.332 28.358 29.700 -0.018 0.000 0.772 150 E HN 0.864 nan 8.360 nan 0.000 0.479 151 L N 0.448 121.661 121.223 -0.016 0.000 2.109 151 L HA 0.299 4.621 4.340 -0.030 0.000 0.207 151 L C 2.974 179.836 176.870 -0.013 0.000 1.086 151 L CA 2.655 57.485 54.840 -0.016 0.000 0.760 151 L CB -1.925 40.127 42.059 -0.012 0.000 0.910 151 L HN 0.660 nan 8.230 nan 0.000 0.437 152 K N -0.087 120.307 120.400 -0.011 0.000 2.283 152 K HA -0.134 4.167 4.320 -0.030 0.000 0.202 152 K C 2.018 178.612 176.600 -0.010 0.000 1.048 152 K CA 1.399 57.680 56.287 -0.010 0.000 0.948 152 K CB -0.544 31.951 32.500 -0.009 0.000 0.742 152 K HN 0.867 nan 8.250 nan 0.000 0.458 153 E N -0.590 119.603 120.200 -0.012 0.000 2.122 153 E HA 0.067 4.399 4.350 -0.030 0.000 0.190 153 E C 2.214 178.806 176.600 -0.014 0.000 0.977 153 E CA 0.736 57.129 56.400 -0.012 0.000 0.820 153 E CB -0.015 29.678 29.700 -0.012 0.000 0.770 153 E HN 0.477 nan 8.360 nan 0.000 0.462 154 A N 1.306 124.116 122.820 -0.017 0.000 1.970 154 A HA 0.015 4.317 4.320 -0.030 0.000 0.216 154 A C 2.484 180.057 177.584 -0.017 0.000 1.170 154 A CA 1.331 53.356 52.037 -0.021 0.000 0.645 154 A CB -0.926 18.056 19.000 -0.030 0.000 0.816 154 A HN 0.304 nan 8.150 nan 0.000 0.447 155 L N -1.178 120.037 121.223 -0.014 0.000 2.093 155 L HA 0.315 4.637 4.340 -0.030 0.000 0.208 155 L C 2.798 179.663 176.870 -0.008 0.000 1.085 155 L CA 2.313 57.148 54.840 -0.010 0.000 0.755 155 L CB -2.079 39.974 42.059 -0.009 0.000 0.904 155 L HN 0.627 nan 8.230 nan 0.000 0.435 156 A N -0.045 122.769 122.820 -0.009 0.000 2.121 156 A HA -0.022 4.280 4.320 -0.030 0.000 0.218 156 A C 2.647 180.227 177.584 -0.006 0.000 1.154 156 A CA 1.741 53.774 52.037 -0.007 0.000 0.679 156 A CB -0.632 18.364 19.000 -0.007 0.000 0.795 156 A HN 1.148 nan 8.150 nan 0.000 0.458 157 S N -1.591 114.105 115.700 -0.007 0.000 2.524 157 S HA 0.411 4.863 4.470 -0.030 0.000 0.216 157 S C 0.749 175.347 174.600 -0.004 0.000 0.987 157 S CA 0.408 58.604 58.200 -0.006 0.000 0.909 157 S CB -1.151 62.043 63.200 -0.009 0.000 0.781 157 S HN 0.999 nan 8.310 nan 0.000 0.521 158 L N 1.620 122.841 121.223 -0.003 0.000 2.397 158 L HA 0.857 5.179 4.340 -0.030 0.000 0.271 158 L C 0.573 177.445 176.870 0.004 0.000 1.148 158 L CA -0.193 54.647 54.840 0.001 0.000 0.825 158 L CB -1.308 40.752 42.059 0.002 0.000 1.117 158 L HN 0.600 nan 8.230 nan 0.000 0.456 159 E N 3.298 123.503 120.200 0.008 0.000 1.865 159 E HA 0.513 4.844 4.350 -0.030 0.000 0.269 159 E C -0.595 176.013 176.600 0.014 0.000 1.177 159 E CA -0.404 56.003 56.400 0.011 0.000 0.932 159 E CB 0.605 30.313 29.700 0.013 0.000 1.066 159 E HN 1.088 nan 8.360 nan 0.000 0.405 160 L N 3.720 124.949 121.223 0.010 0.000 2.275 160 L HA 0.565 4.886 4.340 -0.030 0.000 0.288 160 L C -2.280 174.599 176.870 0.014 0.000 1.046 160 L CA -1.743 53.103 54.840 0.010 0.000 0.805 160 L CB 1.567 43.626 42.059 -0.000 0.000 1.193 160 L HN 0.294 nan 8.230 nan 0.000 0.426 161 P HA 0.211 nan 4.420 nan 0.000 0.268 161 P C 0.608 177.921 177.300 0.022 0.000 1.208 161 P CA 0.421 63.539 63.100 0.031 0.000 0.777 161 P CB 0.538 32.269 31.700 0.052 0.000 0.875 162 E N 1.118 121.333 120.200 0.025 0.000 2.072 162 E HA -0.084 4.247 4.350 -0.030 0.000 0.191 162 E C 2.048 178.659 176.600 0.019 0.000 0.985 162 E CA 1.562 57.973 56.400 0.019 0.000 0.801 162 E CB -1.491 28.221 29.700 0.021 0.000 0.750 162 E HN 0.681 nan 8.360 nan 0.000 0.452 163 G N 0.206 109.023 108.800 0.029 0.000 2.882 163 G HA2 0.310 4.252 3.960 -0.030 0.000 0.206 163 G HA3 0.310 4.252 3.960 -0.030 0.000 0.206 163 G C 0.782 175.689 174.900 0.012 0.000 1.155 163 G CA 0.722 45.841 45.100 0.031 0.000 0.800 163 G HN 0.620 nan 8.290 nan 0.000 0.524 164 M N -1.681 117.914 119.600 -0.009 0.000 2.619 164 M HA 0.781 5.243 4.480 -0.030 0.000 0.297 164 M C -0.310 175.963 176.300 -0.045 0.000 1.229 164 M CA -0.984 54.288 55.300 -0.046 0.000 0.860 164 M CB 2.149 34.696 32.600 -0.088 0.000 1.741 164 M HN -0.099 nan 8.290 nan 0.000 0.462 165 G N 0.328 109.089 108.800 -0.064 0.000 2.569 165 G HA2 0.901 4.842 3.960 -0.030 0.000 0.300 165 G HA3 0.901 4.842 3.960 -0.030 0.000 0.300 165 G C -1.759 173.102 174.900 -0.065 0.000 1.269 165 G CA -0.600 44.465 45.100 -0.057 0.000 0.959 165 G HN 1.147 nan 8.290 nan 0.000 0.478 166 L N 0.151 121.345 121.223 -0.049 0.000 2.393 166 L HA 0.924 5.246 4.340 -0.030 0.000 0.260 166 L C -0.682 176.168 176.870 -0.034 0.000 1.002 166 L CA -1.155 53.659 54.840 -0.042 0.000 0.818 166 L CB 1.430 43.473 42.059 -0.027 0.000 1.369 166 L HN 0.677 nan 8.230 nan 0.000 0.412 167 I N 1.223 121.776 120.570 -0.029 0.000 2.509 167 I HA 0.632 4.784 4.170 -0.030 0.000 0.293 167 I C -0.338 175.778 176.117 -0.002 0.000 1.020 167 I CA -1.380 59.908 61.300 -0.019 0.000 1.088 167 I CB 1.973 39.958 38.000 -0.026 0.000 1.267 167 I HN 0.422 nan 8.210 nan 0.000 0.430 168 V N 6.055 125.973 119.914 0.007 0.000 2.368 168 V HA 0.307 4.409 4.120 -0.030 0.000 0.266 168 V C 0.542 176.655 176.094 0.032 0.000 1.045 168 V CA -0.510 61.807 62.300 0.029 0.000 0.899 168 V CB 0.642 32.480 31.823 0.025 0.000 1.006 168 V HN 0.651 nan 8.190 nan 0.000 0.470 169 R N 2.782 123.310 120.500 0.046 0.000 2.594 169 R HA 0.165 4.486 4.340 -0.030 0.000 0.272 169 R C 1.551 177.881 176.300 0.050 0.000 1.074 169 R CA 0.219 56.340 56.100 0.034 0.000 1.105 169 R CB 0.633 30.944 30.300 0.019 0.000 1.008 169 R HN 0.863 nan 8.270 nan 0.000 0.472 170 T N 1.961 116.533 114.554 0.030 0.000 2.755 170 T HA -0.324 4.008 4.350 -0.030 0.000 0.266 170 T C 1.656 176.392 174.700 0.059 0.000 1.041 170 T CA 1.832 63.952 62.100 0.032 0.000 1.147 170 T CB -0.248 68.630 68.868 0.018 0.000 0.847 170 T HN 0.754 nan 8.240 nan 0.000 0.478 171 A N 0.948 123.814 122.820 0.077 0.000 2.178 171 A HA 0.241 4.542 4.320 -0.030 0.000 0.218 171 A C 2.343 180.100 177.584 0.288 0.000 1.157 171 A CA 1.287 53.405 52.037 0.136 0.000 0.689 171 A CB -0.764 18.271 19.000 0.058 0.000 0.787 171 A HN 0.554 nan 8.150 nan 0.000 0.465 172 G N -1.514 107.418 108.800 0.220 0.000 3.141 172 G HA2 0.215 4.156 3.960 -0.030 0.000 0.218 172 G HA3 0.215 4.156 3.960 -0.030 0.000 0.218 172 G C 1.129 176.036 174.900 0.012 0.000 1.170 172 G CA 0.735 45.942 45.100 0.179 0.000 0.769 172 G HN 0.388 nan 8.290 nan 0.000 0.546 173 V N 0.565 120.499 119.914 0.033 0.000 2.649 173 V HA 0.261 4.363 4.120 -0.030 0.000 0.248 173 V C 2.085 178.167 176.094 -0.020 0.000 1.054 173 V CA 1.816 64.118 62.300 0.004 0.000 1.073 173 V CB 0.080 31.912 31.823 0.016 0.000 0.699 173 V HN 0.237 nan 8.190 nan 0.000 0.463 174 G N -0.018 108.768 108.800 -0.023 0.000 3.518 174 G HA2 0.254 4.196 3.960 -0.030 0.000 0.273 174 G HA3 0.254 4.196 3.960 -0.030 0.000 0.273 174 G C 0.261 175.114 174.900 -0.077 0.000 1.199 174 G CA -0.256 44.823 45.100 -0.035 0.000 0.899 174 G HN 0.377 nan 8.290 nan 0.000 0.533 175 K N 0.200 120.523 120.400 -0.128 0.000 2.288 175 K HA 0.686 4.987 4.320 -0.030 0.000 0.234 175 K C 0.370 176.878 176.600 -0.152 0.000 1.037 175 K CA -0.528 55.634 56.287 -0.209 0.000 0.914 175 K CB 1.361 33.597 32.500 -0.439 0.000 1.197 175 K HN 0.143 nan 8.250 nan 0.000 0.471 176 S N -0.979 114.623 115.700 -0.163 0.000 2.704 176 S HA 0.625 5.076 4.470 -0.030 0.000 0.305 176 S C 0.676 175.212 174.600 -0.106 0.000 1.107 176 S CA -0.347 57.788 58.200 -0.108 0.000 0.993 176 S CB 1.578 64.729 63.200 -0.082 0.000 1.110 176 S HN 0.505 nan 8.310 nan 0.000 0.534 177 A N 0.488 123.266 122.820 -0.069 0.000 1.968 177 A HA 0.179 4.481 4.320 -0.030 0.000 0.217 177 A C 2.245 179.802 177.584 -0.045 0.000 1.169 177 A CA 1.599 53.605 52.037 -0.052 0.000 0.638 177 A CB -1.816 17.163 19.000 -0.034 0.000 0.812 177 A HN 1.157 nan 8.150 nan 0.000 0.446 178 E N -0.238 119.936 120.200 -0.043 0.000 2.110 178 E HA 0.046 4.378 4.350 -0.030 0.000 0.193 178 E C 2.166 178.746 176.600 -0.034 0.000 0.988 178 E CA 1.788 58.169 56.400 -0.031 0.000 0.804 178 E CB -0.988 28.695 29.700 -0.028 0.000 0.745 178 E HN 0.948 nan 8.360 nan 0.000 0.458 179 A N -0.041 122.740 122.820 -0.066 0.000 2.016 179 A HA 0.217 4.519 4.320 -0.030 0.000 0.217 179 A C 2.439 179.985 177.584 -0.063 0.000 1.162 179 A CA 1.151 53.141 52.037 -0.079 0.000 0.662 179 A CB -0.178 18.722 19.000 -0.167 0.000 0.812 179 A HN 0.437 nan 8.150 nan 0.000 0.450 180 L N -1.069 120.106 121.223 -0.080 0.000 2.072 180 L HA -0.175 4.147 4.340 -0.030 0.000 0.205 180 L C 3.369 180.254 176.870 0.024 0.000 1.079 180 L CA 1.362 56.188 54.840 -0.023 0.000 0.752 180 L CB -0.855 41.181 42.059 -0.039 0.000 0.906 180 L HN 0.566 nan 8.230 nan 0.000 0.436 181 Q N -0.215 119.590 119.800 0.008 0.000 2.135 181 Q HA -0.306 4.016 4.340 -0.030 0.000 0.204 181 Q C 2.196 178.216 176.000 0.033 0.000 0.981 181 Q CA 2.593 58.407 55.803 0.018 0.000 0.856 181 Q CB -1.996 26.747 28.738 0.008 0.000 0.902 181 Q HN 0.732 nan 8.270 nan 0.000 0.425 182 W N 0.871 122.193 121.300 0.036 0.000 2.363 182 W HA -0.021 4.621 4.660 -0.030 0.000 0.296 182 W C 1.878 178.441 176.519 0.074 0.000 1.212 182 W CA 1.342 58.717 57.345 0.050 0.000 1.260 182 W CB -0.416 29.074 29.460 0.050 0.000 1.131 182 W HN 0.601 nan 8.180 nan 0.000 0.530 183 D N 0.249 120.711 120.400 0.103 0.000 2.137 183 D HA -0.019 4.603 4.640 -0.030 0.000 0.202 183 D C 2.585 178.933 176.300 0.079 0.000 0.970 183 D CA 2.486 56.559 54.000 0.122 0.000 0.837 183 D CB -0.590 40.347 40.800 0.229 0.000 0.981 183 D HN 0.388 nan 8.370 nan 0.000 0.475 184 L N 0.594 121.858 121.223 0.067 0.000 2.083 184 L HA -0.063 4.259 4.340 -0.030 0.000 0.209 184 L C 2.698 179.597 176.870 0.050 0.000 1.083 184 L CA 2.610 57.478 54.840 0.047 0.000 0.752 184 L CB -1.941 40.140 42.059 0.036 0.000 0.899 184 L HN 0.372 nan 8.230 nan 0.000 0.433 185 S N -1.663 114.068 115.700 0.052 0.000 2.428 185 S HA -0.046 4.406 4.470 -0.030 0.000 0.230 185 S C 2.271 176.912 174.600 0.068 0.000 1.014 185 S CA 1.549 59.782 58.200 0.056 0.000 0.957 185 S CB -1.367 61.860 63.200 0.045 0.000 0.784 185 S HN 1.435 nan 8.310 nan 0.000 0.499 186 F N 2.493 122.483 119.950 0.067 0.000 2.293 186 F HA 0.203 4.711 4.527 -0.030 0.000 0.300 186 F C 2.834 178.695 175.800 0.102 0.000 1.086 186 F CA 1.006 59.053 58.000 0.078 0.000 1.375 186 F CB -0.852 38.189 39.000 0.068 0.000 1.045 186 F HN 0.257 nan 8.300 nan 0.000 0.516 187 R N 0.158 120.704 120.500 0.077 0.000 2.093 187 R HA 0.053 4.375 4.340 -0.030 0.000 0.224 187 R C 2.265 178.654 176.300 0.147 0.000 1.101 187 R CA 1.121 57.262 56.100 0.069 0.000 0.979 187 R CB -0.894 29.412 30.300 0.010 0.000 0.877 187 R HN 0.587 nan 8.270 nan 0.000 0.441 188 L N 1.332 122.636 121.223 0.136 0.000 2.027 188 L HA -0.138 4.184 4.340 -0.030 0.000 0.206 188 L C 3.118 180.108 176.870 0.200 0.000 1.074 188 L CA 2.004 56.954 54.840 0.183 0.000 0.745 188 L CB -0.811 41.324 42.059 0.126 0.000 0.898 188 L HN 0.188 nan 8.230 nan 0.000 0.433 189 K N -0.311 120.175 120.400 0.143 0.000 2.097 189 K HA -0.276 4.026 4.320 -0.030 0.000 0.206 189 K C 1.825 178.498 176.600 0.121 0.000 1.049 189 K CA 1.995 58.346 56.287 0.106 0.000 0.933 189 K CB -1.501 31.045 32.500 0.076 0.000 0.717 189 K HN 0.589 nan 8.250 nan 0.000 0.442 190 H N -1.879 117.238 119.070 0.079 0.000 2.326 190 H HA -0.089 4.449 4.556 -0.030 0.000 0.301 190 H C 2.114 177.507 175.328 0.109 0.000 1.081 190 H CA 1.917 58.005 56.048 0.065 0.000 1.334 190 H CB -0.143 29.637 29.762 0.030 0.000 1.385 190 H HN 0.683 nan 8.280 nan 0.000 0.504 191 W N 1.799 123.214 121.300 0.192 0.000 2.363 191 W HA -0.155 4.487 4.660 -0.030 0.000 0.296 191 W C 1.452 178.008 176.519 0.061 0.000 1.212 191 W CA 1.221 58.642 57.345 0.127 0.000 1.260 191 W CB 0.120 29.625 29.460 0.075 0.000 1.131 191 W HN 0.359 nan 8.180 nan 0.000 0.530 192 E N 0.668 120.832 120.200 -0.059 0.000 2.058 192 E HA -0.221 4.111 4.350 -0.030 0.000 0.194 192 E C 2.331 178.800 176.600 -0.218 0.000 0.997 192 E CA 1.718 58.002 56.400 -0.194 0.000 0.801 192 E CB -0.794 28.873 29.700 -0.056 0.000 0.746 192 E HN 0.327 nan 8.360 nan 0.000 0.450 193 A N 1.391 124.126 122.820 -0.141 0.000 2.015 193 A HA -0.095 4.207 4.320 -0.030 0.000 0.219 193 A C 2.588 180.077 177.584 -0.159 0.000 1.163 193 A CA 1.726 53.678 52.037 -0.142 0.000 0.646 193 A CB -0.987 17.925 19.000 -0.146 0.000 0.806 193 A HN 0.254 nan 8.150 nan 0.000 0.448 194 I N -0.614 119.846 120.570 -0.183 0.000 2.252 194 I HA 0.036 4.187 4.170 -0.030 0.000 0.245 194 I C 2.701 178.684 176.117 -0.224 0.000 1.102 194 I CA 2.694 63.916 61.300 -0.129 0.000 1.385 194 I CB -1.898 36.130 38.000 0.048 0.000 1.064 194 I HN 0.566 nan 8.210 nan 0.000 0.414 195 K N 0.740 120.870 120.400 -0.450 0.000 2.361 195 K HA 0.255 4.557 4.320 -0.030 0.000 0.196 195 K C 2.370 178.843 176.600 -0.212 0.000 1.039 195 K CA 1.368 57.406 56.287 -0.415 0.000 1.001 195 K CB -1.133 30.959 32.500 -0.682 0.000 0.795 195 K HN 0.898 nan 8.250 nan 0.000 0.495 196 K N 0.234 120.530 120.400 -0.175 0.000 2.167 196 K HA 0.457 4.759 4.320 -0.030 0.000 0.203 196 K C 2.466 179.045 176.600 -0.035 0.000 1.052 196 K CA 1.255 57.484 56.287 -0.096 0.000 0.956 196 K CB -0.636 31.810 32.500 -0.090 0.000 0.735 196 K HN 0.631 nan 8.250 nan 0.000 0.451 197 A N 0.338 123.154 122.820 -0.006 0.000 2.169 197 A HA 0.530 4.832 4.320 -0.030 0.000 0.212 197 A C 2.508 180.239 177.584 0.244 0.000 1.153 197 A CA 1.243 53.330 52.037 0.083 0.000 0.756 197 A CB -0.263 18.801 19.000 0.106 0.000 0.813 197 A HN 0.683 nan 8.150 nan 0.000 0.471 198 A N -0.558 122.362 122.820 0.167 0.000 1.943 198 A HA 0.303 4.605 4.320 -0.030 0.000 0.213 198 A C 1.947 179.627 177.584 0.160 0.000 1.181 198 A CA 1.465 53.635 52.037 0.222 0.000 0.653 198 A CB -0.533 18.500 19.000 0.056 0.000 0.833 198 A HN 0.621 nan 8.150 nan 0.000 0.451 199 E N -0.576 119.659 120.200 0.059 0.000 2.511 199 E HA 0.279 4.611 4.350 -0.030 0.000 0.196 199 E C 1.525 178.143 176.600 0.030 0.000 1.066 199 E CA 1.274 57.692 56.400 0.029 0.000 0.871 199 E CB -1.059 28.632 29.700 -0.016 0.000 0.863 199 E HN 0.871 nan 8.360 nan 0.000 0.520 200 S N -0.742 114.981 115.700 0.038 0.000 2.539 200 S HA 0.508 4.959 4.470 -0.030 0.000 0.221 200 S C 1.016 175.595 174.600 -0.036 0.000 0.987 200 S CA 0.079 58.274 58.200 -0.007 0.000 0.929 200 S CB 0.284 63.466 63.200 -0.030 0.000 0.832 200 S HN 0.259 nan 8.310 nan 0.000 0.492 201 R N 0.475 120.976 120.500 0.002 0.000 2.764 201 R HA 0.532 4.854 4.340 -0.030 0.000 0.270 201 R C -3.109 173.240 176.300 0.082 0.000 1.014 201 R CA -1.491 54.567 56.100 -0.070 0.000 0.904 201 R CB 1.205 31.243 30.300 -0.437 0.000 1.236 201 R HN -0.004 nan 8.270 nan 0.000 0.466 202 P HA 0.153 nan 4.420 nan 0.000 0.274 202 P C -0.626 176.855 177.300 0.302 0.000 1.260 202 P CA -0.083 63.096 63.100 0.133 0.000 0.793 202 P CB 0.700 32.444 31.700 0.074 0.000 1.048 203 A N 1.480 124.451 122.820 0.250 0.000 2.044 203 A HA 0.090 4.392 4.320 -0.030 0.000 0.213 203 A C -0.840 176.881 177.584 0.228 0.000 1.169 203 A CA 0.734 52.917 52.037 0.243 0.000 0.724 203 A CB -1.752 17.324 19.000 0.126 0.000 0.840 203 A HN 0.458 nan 8.150 nan 0.000 0.463 204 P HA 0.048 nan 4.420 nan 0.000 0.242 204 P C 0.219 177.653 177.300 0.223 0.000 1.197 204 P CA 0.132 63.340 63.100 0.179 0.000 0.765 204 P CB -0.588 31.193 31.700 0.136 0.000 0.936 205 F N -0.376 119.652 119.950 0.130 0.000 2.362 205 F HA 0.545 5.054 4.527 -0.030 0.000 0.311 205 F C 0.245 176.221 175.800 0.293 0.000 1.161 205 F CA -1.878 56.218 58.000 0.160 0.000 1.085 205 F CB -0.065 38.997 39.000 0.103 0.000 1.311 205 F HN -0.307 nan 8.300 nan 0.000 0.524 206 L N 1.727 123.185 121.223 0.392 0.000 2.312 206 L HA 0.420 4.741 4.340 -0.030 0.000 0.281 206 L C -0.383 176.562 176.870 0.125 0.000 1.070 206 L CA -0.180 54.760 54.840 0.166 0.000 0.805 206 L CB 0.947 43.095 42.059 0.147 0.000 1.174 206 L HN 0.845 nan 8.230 nan 0.000 0.434 207 I N 1.829 122.357 120.570 -0.070 0.000 3.194 207 I HA 0.187 4.339 4.170 -0.030 0.000 0.271 207 I C -0.296 175.904 176.117 0.138 0.000 1.150 207 I CA -0.101 61.248 61.300 0.081 0.000 1.440 207 I CB 0.173 38.190 38.000 0.027 0.000 1.276 207 I HN 0.672 nan 8.210 nan 0.000 0.457 208 H N 1.212 120.244 119.070 -0.062 0.000 2.689 208 H HA 0.402 4.939 4.556 -0.031 0.000 0.346 208 H C -0.827 174.466 175.328 -0.058 0.000 1.037 208 H CA -0.712 55.348 56.048 0.019 0.000 1.234 208 H CB 1.361 31.209 29.762 0.143 0.000 1.572 208 H HN 0.012 nan 8.280 nan 0.000 0.524 209 Q N 3.874 123.362 119.800 -0.520 0.000 2.340 209 Q HA 0.172 4.494 4.340 -0.030 0.000 0.259 209 Q C 0.369 175.978 176.000 -0.651 0.000 0.964 209 Q CA -0.511 55.023 55.803 -0.449 0.000 0.900 209 Q CB 1.406 30.039 28.738 -0.176 0.000 1.228 209 Q HN 0.786 nan 8.270 nan 0.000 0.449 210 E N 2.198 122.137 120.200 -0.435 0.000 2.268 210 E HA -0.118 4.213 4.350 -0.030 0.000 0.195 210 E C 0.966 177.476 176.600 -0.150 0.000 0.995 210 E CA 1.609 57.853 56.400 -0.261 0.000 0.836 210 E CB 0.294 29.936 29.700 -0.096 0.000 0.763 210 E HN 0.615 nan 8.360 nan 0.000 0.491 211 S N -0.680 114.938 115.700 -0.137 0.000 2.649 211 S HA 0.086 4.538 4.470 -0.030 0.000 0.246 211 S C 0.190 174.746 174.600 -0.073 0.000 1.057 211 S CA -0.178 57.975 58.200 -0.078 0.000 1.051 211 S CB -0.514 62.657 63.200 -0.048 0.000 1.018 211 S HN 0.303 nan 8.310 nan 0.000 0.569 212 N N 1.478 120.124 118.700 -0.090 0.000 2.482 212 N HA 0.173 4.895 4.740 -0.030 0.000 0.260 212 N C 0.871 176.305 175.510 -0.127 0.000 1.236 212 N CA -0.132 52.869 53.050 -0.082 0.000 0.938 212 N CB 0.762 39.218 38.487 -0.052 0.000 1.128 212 N HN -0.020 nan 8.380 nan 0.000 0.448 213 V N 1.264 121.104 119.914 -0.124 0.000 3.052 213 V HA 0.020 4.122 4.120 -0.030 0.000 0.254 213 V C 1.923 177.875 176.094 -0.236 0.000 1.100 213 V CA 0.604 62.822 62.300 -0.138 0.000 1.112 213 V CB -0.729 31.037 31.823 -0.094 0.000 0.738 213 V HN 0.649 nan 8.190 nan 0.000 0.469 214 I N -0.528 119.843 120.570 -0.331 0.000 2.333 214 I HA -0.110 4.042 4.170 -0.030 0.000 0.246 214 I C 2.314 177.989 176.117 -0.737 0.000 1.106 214 I CA 0.946 61.877 61.300 -0.614 0.000 1.411 214 I CB -0.214 37.460 38.000 -0.543 0.000 1.082 214 I HN 0.092 nan 8.210 nan 0.000 0.420 215 V N 0.804 120.378 119.914 -0.566 0.000 2.515 215 V HA -0.234 3.868 4.120 -0.030 0.000 0.250 215 V C 2.598 178.633 176.094 -0.098 0.000 1.058 215 V CA 1.750 63.876 62.300 -0.290 0.000 1.064 215 V CB -0.628 31.092 31.823 -0.171 0.000 0.675 215 V HN 0.357 nan 8.190 nan 0.000 0.461 216 R N -0.236 120.181 120.500 -0.138 0.000 2.093 216 R HA -0.036 4.286 4.340 -0.030 0.000 0.224 216 R C 2.304 178.567 176.300 -0.061 0.000 1.101 216 R CA 1.311 57.370 56.100 -0.070 0.000 0.979 216 R CB -0.351 29.902 30.300 -0.078 0.000 0.877 216 R HN 0.487 nan 8.270 nan 0.000 0.441 217 A N 0.318 123.056 122.820 -0.135 0.000 1.877 217 A HA -0.123 4.179 4.320 -0.030 0.000 0.216 217 A C 2.016 179.654 177.584 0.090 0.000 1.186 217 A CA 1.159 53.145 52.037 -0.084 0.000 0.620 217 A CB -0.807 18.080 19.000 -0.188 0.000 0.822 217 A HN 0.405 nan 8.150 nan 0.000 0.443 218 F N -0.778 119.161 119.950 -0.019 0.000 2.171 218 F HA -0.145 4.363 4.527 -0.030 0.000 0.300 218 F C 2.658 178.461 175.800 0.006 0.000 1.090 218 F CA 1.143 59.144 58.000 0.002 0.000 1.293 218 F CB -0.093 38.913 39.000 0.011 0.000 1.013 218 F HN 0.197 nan 8.300 nan 0.000 0.486 219 R N 0.569 121.179 120.500 0.183 0.000 2.090 219 R HA -0.137 4.184 4.340 -0.030 0.000 0.228 219 R C 1.138 177.458 176.300 0.033 0.000 1.110 219 R CA 1.850 58.007 56.100 0.095 0.000 0.973 219 R CB -0.117 30.224 30.300 0.069 0.000 0.869 219 R HN 0.170 nan 8.270 nan 0.000 0.440 220 D N -1.899 118.515 120.400 0.023 0.000 2.323 220 D HA -0.029 4.592 4.640 -0.030 0.000 0.218 220 D C 1.387 177.683 176.300 -0.007 0.000 0.973 220 D CA 1.452 55.438 54.000 -0.024 0.000 0.890 220 D CB 0.011 40.790 40.800 -0.035 0.000 1.011 220 D HN 0.356 nan 8.370 nan 0.000 0.499 221 Y N 0.166 120.492 120.300 0.044 0.000 2.462 221 Y HA 0.454 4.986 4.550 -0.030 0.000 0.253 221 Y C 1.134 177.091 175.900 0.095 0.000 1.095 221 Y CA -0.367 57.767 58.100 0.056 0.000 1.283 221 Y CB -0.168 38.315 38.460 0.039 0.000 1.138 221 Y HN -0.091 nan 8.280 nan 0.000 0.522 222 L N 1.997 123.286 121.223 0.110 0.000 2.380 222 L HA 0.598 4.920 4.340 -0.030 0.000 0.273 222 L C 0.444 177.360 176.870 0.077 0.000 1.138 222 L CA 0.079 54.971 54.840 0.087 0.000 0.832 222 L CB 1.272 43.361 42.059 0.051 0.000 1.124 222 L HN 0.683 nan 8.230 nan 0.000 0.454 223 R N 1.473 122.018 120.500 0.075 0.000 2.810 223 R HA 0.613 4.935 4.340 -0.030 0.000 0.266 223 R C 0.376 176.706 176.300 0.049 0.000 1.061 223 R CA 0.279 56.426 56.100 0.077 0.000 0.943 223 R CB 0.309 30.672 30.300 0.106 0.000 1.237 223 R HN 0.542 nan 8.270 nan 0.000 0.459 224 Q N 0.435 120.261 119.800 0.043 0.000 2.224 224 Q HA -0.122 4.200 4.340 -0.030 0.000 0.203 224 Q C 1.296 177.309 176.000 0.020 0.000 0.970 224 Q CA 2.208 58.026 55.803 0.025 0.000 0.865 224 Q CB -0.513 28.237 28.738 0.020 0.000 0.922 224 Q HN 0.885 nan 8.270 nan 0.000 0.445 225 D N -1.131 119.284 120.400 0.024 0.000 2.336 225 D HA 0.098 4.720 4.640 -0.030 0.000 0.229 225 D C 0.136 176.453 176.300 0.027 0.000 1.061 225 D CA -0.191 53.817 54.000 0.014 0.000 0.875 225 D CB -0.307 40.488 40.800 -0.007 0.000 0.904 225 D HN 0.597 nan 8.370 nan 0.000 0.525 226 I N 1.059 121.652 120.570 0.039 0.000 2.291 226 I HA 0.257 4.408 4.170 -0.030 0.000 0.292 226 I C 1.622 177.758 176.117 0.033 0.000 1.064 226 I CA -0.520 60.810 61.300 0.050 0.000 1.269 226 I CB 1.649 39.685 38.000 0.061 0.000 1.418 226 I HN 0.001 nan 8.210 nan 0.000 0.485 227 G N 4.419 113.242 108.800 0.038 0.000 2.395 227 G HA2 0.054 3.995 3.960 -0.030 0.000 0.214 227 G HA3 0.054 3.995 3.960 -0.030 0.000 0.214 227 G C 0.491 175.412 174.900 0.036 0.000 1.177 227 G CA 0.821 45.941 45.100 0.034 0.000 0.794 227 G HN 0.614 nan 8.290 nan 0.000 0.532 228 E N -0.729 119.496 120.200 0.042 0.000 2.369 228 E HA 0.742 5.074 4.350 -0.030 0.000 0.270 228 E C -1.161 175.463 176.600 0.040 0.000 0.909 228 E CA -0.912 55.515 56.400 0.045 0.000 0.775 228 E CB 1.601 31.340 29.700 0.064 0.000 1.270 228 E HN 0.197 nan 8.360 nan 0.000 0.445 229 I N 2.158 122.760 120.570 0.053 0.000 2.537 229 I HA 0.256 4.407 4.170 -0.030 0.000 0.276 229 I C -0.575 175.598 176.117 0.093 0.000 1.063 229 I CA -0.381 60.967 61.300 0.079 0.000 1.144 229 I CB 0.900 38.969 38.000 0.116 0.000 1.252 229 I HN 0.457 nan 8.210 nan 0.000 0.480 230 L N 6.661 127.923 121.223 0.065 0.000 2.360 230 L HA 0.456 4.777 4.340 -0.030 0.000 0.276 230 L C -0.286 176.649 176.870 0.108 0.000 1.121 230 L CA -0.075 54.824 54.840 0.098 0.000 0.845 230 L CB 0.561 42.665 42.059 0.075 0.000 1.143 230 L HN 0.463 nan 8.230 nan 0.000 0.452 231 I N 2.683 123.338 120.570 0.142 0.000 2.436 231 I HA 0.169 4.321 4.170 -0.030 0.000 0.289 231 I C 0.172 176.385 176.117 0.159 0.000 1.010 231 I CA -0.518 60.858 61.300 0.127 0.000 1.098 231 I CB 1.998 40.069 38.000 0.117 0.000 1.266 231 I HN 0.575 nan 8.210 nan 0.000 0.434 232 D N 2.730 123.216 120.400 0.143 0.000 2.339 232 D HA -0.003 4.619 4.640 -0.030 0.000 0.217 232 D C 0.150 176.519 176.300 0.114 0.000 1.050 232 D CA 0.257 54.378 54.000 0.201 0.000 0.856 232 D CB 0.036 40.968 40.800 0.219 0.000 0.922 232 D HN 0.337 nan 8.370 nan 0.000 0.518 233 N N 0.286 119.032 118.700 0.077 0.000 2.461 233 N HA 0.274 4.995 4.740 -0.030 0.000 0.284 233 N C -2.272 173.266 175.510 0.047 0.000 1.049 233 N CA -2.085 50.995 53.050 0.048 0.000 0.889 233 N CB 2.497 41.001 38.487 0.027 0.000 1.365 233 N HN -0.334 nan 8.380 nan 0.000 0.499 234 P HA -0.110 nan 4.420 nan 0.000 0.215 234 P C 1.239 178.556 177.300 0.029 0.000 1.157 234 P CA 2.167 65.287 63.100 0.033 0.000 0.868 234 P CB 0.265 31.978 31.700 0.022 0.000 0.788 235 K N -0.197 120.215 120.400 0.021 0.000 2.152 235 K HA -0.128 4.173 4.320 -0.030 0.000 0.206 235 K C 2.144 178.756 176.600 0.020 0.000 1.048 235 K CA 2.049 58.344 56.287 0.015 0.000 0.933 235 K CB -1.818 30.688 32.500 0.009 0.000 0.721 235 K HN 0.022 nan 8.250 nan 0.000 0.447 236 V N 0.152 120.083 119.914 0.029 0.000 2.446 236 V HA -0.085 4.017 4.120 -0.030 0.000 0.244 236 V C 2.422 178.555 176.094 0.065 0.000 1.039 236 V CA 1.285 63.609 62.300 0.041 0.000 1.045 236 V CB -0.145 31.699 31.823 0.035 0.000 0.681 236 V HN 0.536 nan 8.190 nan 0.000 0.459 237 L N 0.096 121.361 121.223 0.069 0.000 2.081 237 L HA -0.187 4.134 4.340 -0.030 0.000 0.212 237 L C 2.522 179.442 176.870 0.083 0.000 1.080 237 L CA 1.964 56.858 54.840 0.091 0.000 0.754 237 L CB -0.535 41.573 42.059 0.082 0.000 0.893 237 L HN 0.297 nan 8.230 nan 0.000 0.433 238 E N -0.303 119.927 120.200 0.051 0.000 2.051 238 E HA -0.226 4.106 4.350 -0.030 0.000 0.192 238 E C 2.270 178.879 176.600 0.015 0.000 0.991 238 E CA 1.748 58.166 56.400 0.030 0.000 0.799 238 E CB -0.346 29.361 29.700 0.011 0.000 0.748 238 E HN 0.559 nan 8.360 nan 0.000 0.449 239 L N 0.413 121.637 121.223 0.003 0.000 2.083 239 L HA -0.162 4.160 4.340 -0.030 0.000 0.209 239 L C 2.581 179.469 176.870 0.030 0.000 1.083 239 L CA 1.031 55.828 54.840 -0.072 0.000 0.752 239 L CB -0.500 41.527 42.059 -0.055 0.000 0.899 239 L HN 0.065 nan 8.230 nan 0.000 0.433 240 A N 0.467 123.406 122.820 0.198 0.000 1.933 240 A HA -0.234 4.068 4.320 -0.030 0.000 0.218 240 A C 2.708 180.512 177.584 0.366 0.000 1.175 240 A CA 2.130 54.396 52.037 0.382 0.000 0.628 240 A CB -0.730 18.475 19.000 0.342 0.000 0.814 240 A HN 0.403 nan 8.150 nan 0.000 0.444 241 R N -0.462 120.150 120.500 0.187 0.000 2.066 241 R HA -0.144 4.177 4.340 -0.030 0.000 0.232 241 R C 2.144 178.509 176.300 0.108 0.000 1.131 241 R CA 1.902 58.076 56.100 0.124 0.000 0.955 241 R CB -1.330 29.011 30.300 0.067 0.000 0.851 241 R HN 0.779 nan 8.270 nan 0.000 0.432 242 Q N -0.379 119.451 119.800 0.050 0.000 2.096 242 Q HA -0.155 4.167 4.340 -0.030 0.000 0.204 242 Q C 2.171 178.215 176.000 0.073 0.000 0.982 242 Q CA 1.674 57.477 55.803 -0.000 0.000 0.850 242 Q CB -0.114 28.561 28.738 -0.106 0.000 0.901 242 Q HN 0.765 nan 8.270 nan 0.000 0.422 243 H N 0.014 119.159 119.070 0.125 0.000 2.387 243 H HA -0.084 4.454 4.556 -0.030 0.000 0.299 243 H C 2.111 177.544 175.328 0.174 0.000 1.090 243 H CA 1.078 57.226 56.048 0.167 0.000 1.332 243 H CB -0.071 29.830 29.762 0.231 0.000 1.386 243 H HN 0.283 nan 8.280 nan 0.000 0.516 244 I N 0.484 121.233 120.570 0.297 0.000 2.315 244 I HA -0.198 3.954 4.170 -0.030 0.000 0.248 244 I C 2.616 178.772 176.117 0.065 0.000 1.117 244 I CA 0.857 62.230 61.300 0.122 0.000 1.404 244 I CB -0.190 37.813 38.000 0.004 0.000 1.071 244 I HN 0.160 nan 8.210 nan 0.000 0.419 245 A N 0.402 123.259 122.820 0.062 0.000 1.970 245 A HA 0.010 4.312 4.320 -0.030 0.000 0.216 245 A C 2.478 180.069 177.584 0.012 0.000 1.170 245 A CA 1.299 53.352 52.037 0.026 0.000 0.645 245 A CB -0.515 18.495 19.000 0.017 0.000 0.816 245 A HN 0.401 nan 8.150 nan 0.000 0.447 246 A N -0.746 122.091 122.820 0.027 0.000 1.969 246 A HA 0.070 4.372 4.320 -0.030 0.000 0.218 246 A C 1.951 179.473 177.584 -0.103 0.000 1.169 246 A CA 1.379 53.404 52.037 -0.020 0.000 0.635 246 A CB -0.395 18.620 19.000 0.025 0.000 0.810 246 A HN 0.402 nan 8.150 nan 0.000 0.445 247 L N -1.471 119.741 121.223 -0.018 0.000 2.418 247 L HA 0.223 4.545 4.340 -0.030 0.000 0.218 247 L C 1.473 178.358 176.870 0.025 0.000 1.125 247 L CA 1.314 56.152 54.840 -0.003 0.000 0.835 247 L CB 0.131 42.282 42.059 0.153 0.000 0.953 247 L HN 0.599 nan 8.230 nan 0.000 0.454 248 G N -0.464 108.343 108.800 0.010 0.000 2.215 248 G HA2 -0.203 3.739 3.960 -0.030 0.000 0.198 248 G HA3 -0.203 3.739 3.960 -0.030 0.000 0.198 248 G C -0.115 174.795 174.900 0.017 0.000 1.047 248 G CA -0.170 44.936 45.100 0.011 0.000 0.747 248 G HN 0.060 nan 8.290 nan 0.000 0.495 249 R N -0.599 119.905 120.500 0.008 0.000 2.718 249 R HA 0.448 4.770 4.340 -0.030 0.000 0.266 249 R C -1.479 174.810 176.300 -0.018 0.000 1.776 249 R CA -0.274 55.822 56.100 -0.005 0.000 1.567 249 R CB 1.037 31.328 30.300 -0.015 0.000 1.336 249 R HN 0.240 nan 8.270 nan 0.000 0.619 250 P HA -0.190 nan 4.420 nan 0.000 0.218 250 P C 1.053 178.344 177.300 -0.014 0.000 1.149 250 P CA 1.208 64.302 63.100 -0.009 0.000 0.817 250 P CB 0.147 31.845 31.700 -0.003 0.000 0.785 251 D N -1.161 119.231 120.400 -0.013 0.000 2.357 251 D HA -0.200 4.422 4.640 -0.030 0.000 0.216 251 D C 1.580 177.866 176.300 -0.024 0.000 0.973 251 D CA 1.132 55.124 54.000 -0.013 0.000 0.912 251 D CB -0.916 39.878 40.800 -0.009 0.000 0.900 251 D HN 0.253 nan 8.370 nan 0.000 0.501 252 F N 0.848 120.773 119.950 -0.043 0.000 2.678 252 F HA 0.184 4.693 4.527 -0.030 0.000 0.291 252 F C 2.841 178.606 175.800 -0.058 0.000 1.123 252 F CA 0.154 58.112 58.000 -0.071 0.000 1.395 252 F CB -0.420 38.497 39.000 -0.139 0.000 1.121 252 F HN 0.057 nan 8.300 nan 0.000 0.592 253 S N 0.604 116.283 115.700 -0.035 0.000 2.387 253 S HA -0.226 4.226 4.470 -0.030 0.000 0.230 253 S C 2.408 177.009 174.600 0.002 0.000 1.035 253 S CA 1.795 59.989 58.200 -0.010 0.000 1.014 253 S CB -0.770 62.430 63.200 0.001 0.000 0.836 253 S HN 0.830 nan 8.310 nan 0.000 0.466 254 S N 1.678 117.378 115.700 0.000 0.000 2.419 254 S HA -0.046 4.405 4.470 -0.030 0.000 0.233 254 S C 1.471 176.080 174.600 0.015 0.000 1.016 254 S CA 0.731 58.937 58.200 0.010 0.000 0.974 254 S CB -0.324 62.881 63.200 0.008 0.000 0.786 254 S HN 0.552 nan 8.310 nan 0.000 0.492 255 K N 0.558 120.961 120.400 0.005 0.000 2.314 255 K HA 0.295 4.597 4.320 -0.030 0.000 0.198 255 K C 0.337 176.953 176.600 0.027 0.000 1.045 255 K CA 0.174 56.468 56.287 0.012 0.000 0.988 255 K CB -0.114 32.382 32.500 -0.007 0.000 0.783 255 K HN 0.407 nan 8.250 nan 0.000 0.484 256 I N 2.854 123.440 120.570 0.026 0.000 2.517 256 I HA -0.026 4.126 4.170 -0.030 0.000 0.285 256 I C -0.147 176.012 176.117 0.071 0.000 1.106 256 I CA 0.459 61.795 61.300 0.059 0.000 1.402 256 I CB 0.351 38.393 38.000 0.071 0.000 1.399 256 I HN 0.039 nan 8.210 nan 0.000 0.535 257 K N 5.885 126.339 120.400 0.090 0.000 2.469 257 K HA 0.503 4.804 4.320 -0.030 0.000 0.254 257 K C -1.285 175.386 176.600 0.118 0.000 0.939 257 K CA -0.990 55.354 56.287 0.096 0.000 0.812 257 K CB 2.746 35.308 32.500 0.103 0.000 1.301 257 K HN 0.270 nan 8.250 nan 0.000 0.433 258 L N 2.923 124.209 121.223 0.106 0.000 2.276 258 L HA 0.293 4.615 4.340 -0.030 0.000 0.286 258 L C -1.016 175.942 176.870 0.146 0.000 1.061 258 L CA -0.243 54.665 54.840 0.113 0.000 0.807 258 L CB 0.201 42.301 42.059 0.069 0.000 1.177 258 L HN 0.500 nan 8.230 nan 0.000 0.429 259 Y N 3.172 123.513 120.300 0.068 0.000 2.299 259 Y HA 0.385 4.917 4.550 -0.030 0.000 0.326 259 Y C 1.025 176.951 175.900 0.044 0.000 1.164 259 Y CA 0.616 58.761 58.100 0.075 0.000 1.234 259 Y CB 1.310 39.833 38.460 0.105 0.000 1.219 259 Y HN 0.820 nan 8.280 nan 0.000 0.497 260 T N 0.407 114.541 114.554 -0.700 0.000 3.028 260 T HA 0.296 4.627 4.350 -0.030 0.000 0.262 260 T C 0.882 175.257 174.700 -0.542 0.000 0.916 260 T CA 0.226 62.067 62.100 -0.433 0.000 0.873 260 T CB -0.640 68.088 68.868 -0.233 0.000 1.232 260 T HN 0.839 nan 8.240 nan 0.000 0.529 261 G N 0.965 109.168 108.800 -0.995 0.000 2.670 261 G HA2 0.195 4.137 3.960 -0.030 0.000 0.233 261 G HA3 0.195 4.137 3.960 -0.030 0.000 0.233 261 G C 0.460 175.228 174.900 -0.220 0.000 1.251 261 G CA -0.185 44.577 45.100 -0.563 0.000 0.849 261 G HN 0.361 nan 8.290 nan 0.000 0.588 262 E N 0.128 120.276 120.200 -0.086 0.000 2.250 262 E HA 0.013 4.345 4.350 -0.030 0.000 0.192 262 E C 0.919 177.558 176.600 0.065 0.000 0.986 262 E CA -0.194 56.206 56.400 -0.000 0.000 0.849 262 E CB 0.099 29.792 29.700 -0.013 0.000 0.797 262 E HN 0.481 nan 8.360 nan 0.000 0.482 263 I N 4.043 124.659 120.570 0.076 0.000 2.741 263 I HA -0.036 4.116 4.170 -0.030 0.000 0.288 263 I C -2.053 174.202 176.117 0.229 0.000 1.192 263 I CA -1.406 59.972 61.300 0.129 0.000 1.426 263 I CB 0.147 38.219 38.000 0.120 0.000 1.367 263 I HN -0.125 nan 8.210 nan 0.000 0.563 264 P HA -0.037 nan 4.420 nan 0.000 0.268 264 P C 0.582 177.956 177.300 0.124 0.000 1.205 264 P CA -0.373 62.820 63.100 0.156 0.000 0.771 264 P CB 0.873 32.627 31.700 0.089 0.000 0.858 265 L N 3.482 124.684 121.223 -0.035 0.000 1.997 265 L HA -0.228 4.094 4.340 -0.030 0.000 0.216 265 L C 1.926 178.909 176.870 0.188 0.000 1.074 265 L CA 2.255 56.920 54.840 -0.291 0.000 0.763 265 L CB -1.437 40.456 42.059 -0.276 0.000 0.890 265 L HN 0.193 nan 8.230 nan 0.000 0.434 266 F N -0.548 119.386 119.950 -0.028 0.000 2.325 266 F HA -0.044 4.464 4.527 -0.031 0.000 0.299 266 F C 2.640 178.491 175.800 0.084 0.000 1.090 266 F CA 1.087 59.102 58.000 0.024 0.000 1.392 266 F CB -1.104 37.901 39.000 0.009 0.000 1.053 266 F HN 0.120 nan 8.300 nan 0.000 0.521 267 S N -1.938 113.925 115.700 0.273 0.000 2.406 267 S HA -0.147 4.305 4.470 -0.030 0.000 0.224 267 S C 2.041 176.764 174.600 0.205 0.000 1.030 267 S CA 0.479 58.797 58.200 0.197 0.000 0.958 267 S CB -0.535 62.758 63.200 0.156 0.000 0.811 267 S HN 0.494 nan 8.310 nan 0.000 0.489 268 H N -0.670 118.471 119.070 0.120 0.000 2.421 268 H HA -0.080 4.458 4.556 -0.031 0.000 0.298 268 H C 0.956 176.245 175.328 -0.065 0.000 1.087 268 H CA 1.333 57.412 56.048 0.051 0.000 1.330 268 H CB 0.000 29.820 29.762 0.096 0.000 1.388 268 H HN 0.424 nan 8.280 nan 0.000 0.526 269 Y N 0.960 121.255 120.300 -0.009 0.000 2.466 269 Y HA 0.042 4.574 4.550 -0.031 0.000 0.272 269 Y C 0.576 176.431 175.900 -0.076 0.000 1.169 269 Y CA 0.142 58.181 58.100 -0.103 0.000 1.285 269 Y CB 0.462 38.867 38.460 -0.092 0.000 1.078 269 Y HN 0.238 nan 8.280 nan 0.000 0.523 270 Q N -0.188 119.659 119.800 0.079 0.000 2.478 270 Q HA -0.227 4.094 4.340 -0.030 0.000 0.286 270 Q C 0.708 176.727 176.000 0.032 0.000 1.299 270 Q CA 1.293 57.121 55.803 0.043 0.000 0.826 270 Q CB -2.634 26.107 28.738 0.005 0.000 1.199 270 Q HN 0.809 nan 8.270 nan 0.000 0.451 271 I N -4.387 116.195 120.570 0.020 0.000 4.070 271 I HA 0.151 4.303 4.170 -0.030 0.000 0.328 271 I C 1.689 177.810 176.117 0.007 0.000 1.298 271 I CA 0.333 61.606 61.300 -0.045 0.000 1.173 271 I CB 0.168 38.040 38.000 -0.213 0.000 1.051 271 I HN -0.048 nan 8.210 nan 0.000 0.409 272 E N 2.252 122.502 120.200 0.082 0.000 2.268 272 E HA -0.162 4.169 4.350 -0.030 0.000 0.195 272 E C 2.197 178.861 176.600 0.107 0.000 0.995 272 E CA 1.685 58.167 56.400 0.138 0.000 0.836 272 E CB -0.026 29.768 29.700 0.157 0.000 0.763 272 E HN 0.694 nan 8.360 nan 0.000 0.491 273 S N -0.766 114.979 115.700 0.074 0.000 2.406 273 S HA -0.086 4.365 4.470 -0.030 0.000 0.224 273 S C 1.930 176.566 174.600 0.060 0.000 1.030 273 S CA 0.444 58.683 58.200 0.066 0.000 0.958 273 S CB -0.233 62.996 63.200 0.048 0.000 0.811 273 S HN 0.255 nan 8.310 nan 0.000 0.489 274 Q N 0.904 120.726 119.800 0.037 0.000 2.079 274 Q HA 0.056 4.378 4.340 -0.030 0.000 0.200 274 Q C 2.166 178.179 176.000 0.023 0.000 0.974 274 Q CA 1.604 57.418 55.803 0.018 0.000 0.840 274 Q CB -0.538 28.194 28.738 -0.010 0.000 0.898 274 Q HN 0.585 nan 8.270 nan 0.000 0.430 275 I N 1.033 121.628 120.570 0.042 0.000 2.194 275 I HA -0.275 3.877 4.170 -0.030 0.000 0.246 275 I C 2.097 178.327 176.117 0.189 0.000 1.093 275 I CA 1.019 62.374 61.300 0.091 0.000 1.355 275 I CB -0.181 37.915 38.000 0.159 0.000 1.046 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 E N 0.380 120.705 120.200 0.209 0.000 2.338 276 E HA -0.132 4.200 4.350 -0.030 0.000 0.197 276 E C 2.296 179.041 176.600 0.242 0.000 1.007 276 E CA 1.259 57.831 56.400 0.288 0.000 0.849 276 E CB -0.191 29.604 29.700 0.159 0.000 0.774 276 E HN 0.562 nan 8.360 nan 0.000 0.506 277 S N -0.350 115.423 115.700 0.120 0.000 2.496 277 S HA 0.105 4.557 4.470 -0.030 0.000 0.224 277 S C 1.972 176.579 174.600 0.011 0.000 0.996 277 S CA 0.582 58.819 58.200 0.063 0.000 0.927 277 S CB 0.193 63.410 63.200 0.027 0.000 0.774 277 S HN 0.164 nan 8.310 nan 0.000 0.524 278 A N 0.170 122.947 122.820 -0.071 0.000 2.206 278 A HA 0.386 4.687 4.320 -0.030 0.000 0.211 278 A C 1.198 178.552 177.584 -0.383 0.000 1.158 278 A CA 0.270 52.150 52.037 -0.262 0.000 0.761 278 A CB -0.761 17.999 19.000 -0.400 0.000 0.801 278 A HN 0.612 nan 8.150 nan 0.000 0.473 279 F N -0.378 119.586 119.950 0.022 0.000 2.695 279 F HA 0.219 4.727 4.527 -0.031 0.000 0.303 279 F C 0.944 176.755 175.800 0.019 0.000 1.091 279 F CA -0.077 57.941 58.000 0.031 0.000 1.300 279 F CB 0.296 39.323 39.000 0.045 0.000 1.071 279 F HN 0.154 nan 8.300 nan 0.000 0.578 280 Q N 0.110 119.998 119.800 0.146 0.000 2.235 280 Q HA 0.319 4.641 4.340 -0.030 0.000 0.256 280 Q C 1.140 177.167 176.000 0.045 0.000 0.951 280 Q CA -0.589 55.268 55.803 0.091 0.000 0.890 280 Q CB 2.088 30.871 28.738 0.074 0.000 1.279 280 Q HN 0.119 nan 8.270 nan 0.000 0.444 281 R N 1.185 121.707 120.500 0.036 0.000 2.075 281 R HA -0.073 4.249 4.340 -0.030 0.000 0.232 281 R C -0.035 176.268 176.300 0.005 0.000 1.126 281 R CA 1.267 57.376 56.100 0.015 0.000 0.963 281 R CB 0.430 30.738 30.300 0.012 0.000 0.858 281 R HN 0.601 nan 8.270 nan 0.000 0.435 282 E N 0.290 120.496 120.200 0.011 0.000 2.185 282 E HA 0.242 4.573 4.350 -0.030 0.000 0.261 282 E C -1.674 174.931 176.600 0.009 0.000 0.879 282 E CA -0.592 55.811 56.400 0.005 0.000 0.756 282 E CB 1.891 31.595 29.700 0.005 0.000 1.152 282 E HN -0.053 nan 8.360 nan 0.000 0.416 283 V N 5.008 124.923 119.914 0.002 0.000 2.398 283 V HA 0.400 4.502 4.120 -0.030 0.000 0.286 283 V C 0.332 176.427 176.094 0.002 0.000 1.026 283 V CA -0.776 61.527 62.300 0.004 0.000 0.868 283 V CB 1.470 33.291 31.823 -0.003 0.000 0.982 283 V HN 0.666 nan 8.190 nan 0.000 0.443 284 R N 3.798 124.302 120.500 0.006 0.000 2.543 284 R HA 0.487 4.808 4.340 -0.030 0.000 0.277 284 R C -0.749 175.553 176.300 0.003 0.000 1.074 284 R CA -0.374 55.729 56.100 0.005 0.000 1.076 284 R CB 0.662 30.966 30.300 0.008 0.000 0.993 284 R HN 0.543 nan 8.270 nan 0.000 0.459 285 L N 4.202 125.427 121.223 0.002 0.000 2.379 285 L HA 0.256 4.578 4.340 -0.030 0.000 0.269 285 L C -1.371 175.498 176.870 -0.002 0.000 1.084 285 L CA -2.055 52.785 54.840 -0.000 0.000 0.802 285 L CB 1.113 43.172 42.059 -0.000 0.000 1.175 285 L HN 0.329 nan 8.230 nan 0.000 0.448 286 P HA -0.172 nan 4.420 nan 0.000 0.217 286 P C 1.288 178.585 177.300 -0.006 0.000 1.151 286 P CA 1.284 64.380 63.100 -0.006 0.000 0.849 286 P CB 0.285 31.979 31.700 -0.011 0.000 0.787 287 S N -2.684 113.010 115.700 -0.009 0.000 2.470 287 S HA 0.191 4.643 4.470 -0.030 0.000 0.225 287 S C 1.640 176.238 174.600 -0.002 0.000 1.006 287 S CA 1.192 59.387 58.200 -0.008 0.000 0.934 287 S CB -0.152 63.040 63.200 -0.014 0.000 0.778 287 S HN 0.382 nan 8.310 nan 0.000 0.517 288 G N 0.213 109.013 108.800 -0.000 0.000 2.813 288 G HA2 -0.025 3.917 3.960 -0.030 0.000 0.194 288 G HA3 -0.025 3.917 3.960 -0.030 0.000 0.194 288 G C 0.416 175.319 174.900 0.005 0.000 1.010 288 G CA -0.224 44.878 45.100 0.003 0.000 0.771 288 G HN 0.702 nan 8.290 nan 0.000 0.485 289 G N 0.329 109.132 108.800 0.005 0.000 2.590 289 G HA2 0.595 4.537 3.960 -0.030 0.000 0.276 289 G HA3 0.595 4.537 3.960 -0.030 0.000 0.276 289 G C 0.434 175.338 174.900 0.007 0.000 1.337 289 G CA 1.320 46.425 45.100 0.008 0.000 1.030 289 G HN 1.802 nan 8.290 nan 0.000 0.534 290 S N -2.020 113.684 115.700 0.007 0.000 2.615 290 S HA 0.627 5.079 4.470 -0.030 0.000 0.269 290 S C -0.774 173.823 174.600 -0.004 0.000 1.161 290 S CA -0.711 57.490 58.200 0.002 0.000 0.817 290 S CB 1.424 64.625 63.200 0.002 0.000 1.131 290 S HN 1.368 nan 8.310 nan 0.000 0.467 291 I N -0.724 119.839 120.570 -0.012 0.000 2.465 291 I HA 0.862 5.014 4.170 -0.030 0.000 0.291 291 I C -1.335 174.766 176.117 -0.027 0.000 1.014 291 I CA -1.231 60.052 61.300 -0.028 0.000 1.093 291 I CB 1.978 39.954 38.000 -0.040 0.000 1.267 291 I HN 0.416 nan 8.210 nan 0.000 0.431 292 V N 7.161 127.055 119.914 -0.033 0.000 2.357 292 V HA 0.417 4.519 4.120 -0.030 0.000 0.284 292 V C 0.119 176.191 176.094 -0.036 0.000 1.018 292 V CA -0.315 61.969 62.300 -0.026 0.000 0.841 292 V CB 1.375 33.186 31.823 -0.020 0.000 0.991 292 V HN 0.593 nan 8.190 nan 0.000 0.437 293 I N 4.649 125.200 120.570 -0.031 0.000 2.307 293 I HA 0.368 4.519 4.170 -0.030 0.000 0.287 293 I C -0.460 175.640 176.117 -0.029 0.000 1.054 293 I CA -0.073 61.205 61.300 -0.037 0.000 1.218 293 I CB 0.791 38.767 38.000 -0.039 0.000 1.398 293 I HN 0.496 nan 8.210 nan 0.000 0.475 294 D N 3.934 124.315 120.400 -0.032 0.000 2.185 294 D HA 0.382 5.004 4.640 -0.030 0.000 0.247 294 D C -0.421 175.862 176.300 -0.029 0.000 1.027 294 D CA -0.150 53.834 54.000 -0.026 0.000 0.861 294 D CB 2.196 42.980 40.800 -0.026 0.000 1.202 294 D HN 0.337 nan 8.370 nan 0.000 0.453 295 S N 0.800 116.485 115.700 -0.025 0.000 2.561 295 S HA 0.655 5.106 4.470 -0.030 0.000 0.303 295 S C -0.170 174.416 174.600 -0.024 0.000 1.110 295 S CA -0.610 57.574 58.200 -0.026 0.000 1.034 295 S CB 0.836 64.022 63.200 -0.025 0.000 1.010 295 S HN 0.433 nan 8.310 nan 0.000 0.482 296 T N 1.362 115.901 114.554 -0.025 0.000 2.889 296 T HA 0.477 4.808 4.350 -0.030 0.000 0.278 296 T C 1.029 175.716 174.700 -0.022 0.000 0.995 296 T CA -0.363 61.723 62.100 -0.024 0.000 0.966 296 T CB 0.941 69.794 68.868 -0.025 0.000 1.237 296 T HN 0.624 nan 8.240 nan 0.000 0.591 297 E N 0.367 120.555 120.200 -0.021 0.000 2.058 297 E HA -0.094 4.238 4.350 -0.030 0.000 0.194 297 E C 2.178 178.766 176.600 -0.020 0.000 0.997 297 E CA 1.828 58.217 56.400 -0.019 0.000 0.801 297 E CB -0.777 28.913 29.700 -0.018 0.000 0.746 297 E HN 0.736 nan 8.360 nan 0.000 0.450 298 A N -0.314 122.493 122.820 -0.021 0.000 1.855 298 A HA 0.206 4.507 4.320 -0.030 0.000 0.213 298 A C 0.900 178.471 177.584 -0.022 0.000 1.195 298 A CA 1.440 53.464 52.037 -0.021 0.000 0.610 298 A CB -0.303 18.684 19.000 -0.023 0.000 0.837 298 A HN 0.322 nan 8.150 nan 0.000 0.444 299 L N -5.351 115.857 121.223 -0.025 0.000 2.485 299 L HA 0.726 5.048 4.340 -0.030 0.000 0.245 299 L C -0.769 176.083 176.870 -0.030 0.000 1.137 299 L CA -0.680 54.144 54.840 -0.027 0.000 0.954 299 L CB 1.286 43.329 42.059 -0.027 0.000 1.560 299 L HN -0.204 nan 8.230 nan 0.000 0.403 300 T N 0.670 115.203 114.554 -0.033 0.000 2.770 300 T HA 0.813 5.144 4.350 -0.030 0.000 0.283 300 T C -0.337 174.336 174.700 -0.045 0.000 0.988 300 T CA -0.159 61.918 62.100 -0.038 0.000 0.957 300 T CB 1.344 70.187 68.868 -0.041 0.000 0.930 300 T HN 0.886 nan 8.240 nan 0.000 0.443 301 A N 4.011 126.803 122.820 -0.046 0.000 2.274 301 A HA 0.754 5.056 4.320 -0.030 0.000 0.309 301 A C -0.215 177.330 177.584 -0.066 0.000 1.226 301 A CA -0.704 51.300 52.037 -0.054 0.000 0.853 301 A CB 0.046 19.019 19.000 -0.045 0.000 1.146 301 A HN 0.898 nan 8.150 nan 0.000 0.518 302 I N 2.604 123.118 120.570 -0.092 0.000 2.354 302 I HA 0.227 4.379 4.170 -0.030 0.000 0.286 302 I C -0.637 175.404 176.117 -0.128 0.000 1.007 302 I CA -0.517 60.717 61.300 -0.111 0.000 1.167 302 I CB 1.569 39.484 38.000 -0.142 0.000 1.320 302 I HN 0.594 nan 8.210 nan 0.000 0.458 303 D N 6.854 127.202 120.400 -0.086 0.000 2.253 303 D HA 0.596 5.217 4.640 -0.030 0.000 0.249 303 D C -0.714 175.548 176.300 -0.064 0.000 1.049 303 D CA -0.109 53.850 54.000 -0.068 0.000 0.929 303 D CB 1.457 42.235 40.800 -0.036 0.000 1.176 303 D HN 0.302 nan 8.370 nan 0.000 0.437 304 I N 2.715 123.261 120.570 -0.041 0.000 2.499 304 I HA 0.311 4.463 4.170 -0.030 0.000 0.288 304 I C -0.458 175.668 176.117 0.016 0.000 1.048 304 I CA -0.902 60.389 61.300 -0.014 0.000 1.062 304 I CB 1.616 39.617 38.000 0.001 0.000 1.238 304 I HN 0.166 nan 8.210 nan 0.000 0.426 305 N N 4.172 122.881 118.700 0.015 0.000 2.319 305 N HA 0.477 5.198 4.740 -0.030 0.000 0.305 305 N C -0.526 174.997 175.510 0.023 0.000 1.103 305 N CA -0.490 52.572 53.050 0.020 0.000 0.815 305 N CB 2.387 40.881 38.487 0.012 0.000 1.288 305 N HN 0.655 nan 8.380 nan 0.000 0.493 306 S N 0.034 115.749 115.700 0.026 0.000 2.690 306 S HA 0.753 5.205 4.470 -0.030 0.000 0.285 306 S C -0.029 174.582 174.600 0.017 0.000 1.135 306 S CA -0.845 57.369 58.200 0.023 0.000 1.020 306 S CB 0.893 64.109 63.200 0.028 0.000 1.159 306 S HN 0.645 nan 8.310 nan 0.000 0.534 307 A N 0.314 123.143 122.820 0.015 0.000 2.292 307 A HA 0.813 5.115 4.320 -0.030 0.000 0.319 307 A C 0.796 178.387 177.584 0.013 0.000 1.206 307 A CA 0.051 52.095 52.037 0.012 0.000 0.835 307 A CB -0.566 18.439 19.000 0.009 0.000 1.164 307 A HN 2.091 nan 8.150 nan 0.000 0.505 315 I N 2.622 123.216 120.570 0.040 0.000 2.233 315 I HA 0.078 4.230 4.170 -0.030 0.000 0.243 315 I C 2.226 178.380 176.117 0.062 0.000 1.093 315 I CA 2.560 63.887 61.300 0.045 0.000 1.380 315 I CB -1.595 36.429 38.000 0.040 0.000 1.067 315 I HN 0.687 nan 8.210 nan 0.000 0.413 316 E N 0.847 121.089 120.200 0.070 0.000 2.085 316 E HA -0.230 4.102 4.350 -0.030 0.000 0.194 316 E C 2.148 178.813 176.600 0.109 0.000 0.994 316 E CA 2.590 59.052 56.400 0.103 0.000 0.801 316 E CB -1.416 28.350 29.700 0.109 0.000 0.743 316 E HN 1.074 nan 8.360 nan 0.000 0.453 317 E N 0.179 120.435 120.200 0.093 0.000 2.152 317 E HA -0.077 4.254 4.350 -0.030 0.000 0.192 317 E C 2.342 178.991 176.600 0.083 0.000 0.983 317 E CA 1.493 57.955 56.400 0.103 0.000 0.818 317 E CB -1.114 28.636 29.700 0.084 0.000 0.758 317 E HN 0.585 nan 8.360 nan 0.000 0.467 318 T N 0.306 114.896 114.554 0.059 0.000 2.668 318 T HA 0.090 4.422 4.350 -0.030 0.000 0.262 318 T C 2.457 177.180 174.700 0.039 0.000 1.045 318 T CA 1.700 63.822 62.100 0.037 0.000 1.152 318 T CB -0.535 68.354 68.868 0.034 0.000 0.864 318 T HN 0.588 nan 8.240 nan 0.000 0.419 319 A N 1.335 124.192 122.820 0.063 0.000 1.917 319 A HA -0.127 4.175 4.320 -0.030 0.000 0.219 319 A C 2.043 179.674 177.584 0.079 0.000 1.182 319 A CA 1.724 53.806 52.037 0.077 0.000 0.633 319 A CB -1.054 18.003 19.000 0.095 0.000 0.819 319 A HN 0.464 nan 8.150 nan 0.000 0.448 320 F N 1.089 120.967 119.950 -0.119 0.000 2.146 320 F HA -0.124 4.384 4.527 -0.032 0.000 0.298 320 F C 1.988 177.693 175.800 -0.158 0.000 1.096 320 F CA 1.797 59.652 58.000 -0.241 0.000 1.275 320 F CB -0.380 38.280 39.000 -0.567 0.000 1.008 320 F HN 0.216 nan 8.300 nan 0.000 0.480 321 N N -0.311 118.266 118.700 -0.205 0.000 2.171 321 N HA -0.111 4.611 4.740 -0.030 0.000 0.184 321 N C 1.773 177.178 175.510 -0.175 0.000 1.021 321 N CA 1.881 54.778 53.050 -0.257 0.000 0.854 321 N CB -0.503 37.916 38.487 -0.113 0.000 0.994 321 N HN 0.267 nan 8.380 nan 0.000 0.426 322 T N 1.015 115.520 114.554 -0.081 0.000 2.821 322 T HA -0.030 4.302 4.350 -0.030 0.000 0.267 322 T C 1.502 176.199 174.700 -0.004 0.000 1.046 322 T CA 0.840 62.923 62.100 -0.028 0.000 1.139 322 T CB -0.184 68.692 68.868 0.013 0.000 0.871 322 T HN 0.225 nan 8.240 nan 0.000 0.454 323 N N 1.251 119.945 118.700 -0.009 0.000 2.166 323 N HA 0.044 4.766 4.740 -0.030 0.000 0.186 323 N C 1.773 177.258 175.510 -0.042 0.000 1.019 323 N CA 0.731 53.814 53.050 0.054 0.000 0.856 323 N CB -0.499 37.969 38.487 -0.032 0.000 0.993 323 N HN 0.350 nan 8.380 nan 0.000 0.426 324 L N 1.054 122.148 121.223 -0.215 0.000 2.056 324 L HA -0.092 4.230 4.340 -0.030 0.000 0.207 324 L C 2.110 178.920 176.870 -0.099 0.000 1.078 324 L CA 1.084 55.787 54.840 -0.228 0.000 0.749 324 L CB -0.309 41.505 42.059 -0.408 0.000 0.901 324 L HN 0.178 nan 8.230 nan 0.000 0.433 325 E N 0.199 120.350 120.200 -0.082 0.000 2.077 325 E HA -0.224 4.108 4.350 -0.030 0.000 0.193 325 E C 2.318 178.926 176.600 0.014 0.000 0.989 325 E CA 1.125 57.505 56.400 -0.034 0.000 0.800 325 E CB -0.182 29.497 29.700 -0.035 0.000 0.746 325 E HN 0.499 nan 8.360 nan 0.000 0.452 326 A N 1.767 124.620 122.820 0.056 0.000 1.883 326 A HA -0.186 4.115 4.320 -0.030 0.000 0.217 326 A C 2.449 180.111 177.584 0.130 0.000 1.186 326 A CA 1.914 54.008 52.037 0.096 0.000 0.624 326 A CB -0.751 18.348 19.000 0.166 0.000 0.822 326 A HN 0.303 nan 8.150 nan 0.000 0.444 327 A N -0.626 122.316 122.820 0.204 0.000 1.940 327 A HA -0.031 4.270 4.320 -0.030 0.000 0.219 327 A C 1.958 179.594 177.584 0.086 0.000 1.176 327 A CA 2.403 54.559 52.037 0.198 0.000 0.631 327 A CB -1.509 17.579 19.000 0.147 0.000 0.814 327 A HN 0.714 nan 8.150 nan 0.000 0.446 328 D N -0.595 119.831 120.400 0.043 0.000 2.103 328 D HA -0.099 4.523 4.640 -0.030 0.000 0.199 328 D C 1.938 178.250 176.300 0.020 0.000 0.978 328 D CA 1.575 55.589 54.000 0.022 0.000 0.829 328 D CB -0.423 40.379 40.800 0.002 0.000 0.981 328 D HN 0.544 nan 8.370 nan 0.000 0.464 329 E N 0.094 120.304 120.200 0.017 0.000 2.072 329 E HA -0.036 4.296 4.350 -0.030 0.000 0.191 329 E C 1.952 178.551 176.600 -0.001 0.000 0.985 329 E CA 0.681 57.084 56.400 0.006 0.000 0.801 329 E CB -0.403 29.298 29.700 0.001 0.000 0.750 329 E HN 0.631 nan 8.360 nan 0.000 0.452 330 I N 0.338 120.910 120.570 0.002 0.000 2.286 330 I HA -0.288 3.864 4.170 -0.030 0.000 0.248 330 I C 2.295 178.408 176.117 -0.007 0.000 1.115 330 I CA 1.039 62.330 61.300 -0.015 0.000 1.392 330 I CB -0.344 37.640 38.000 -0.027 0.000 1.065 330 I HN 0.187 nan 8.210 nan 0.000 0.418 331 A N 1.745 124.572 122.820 0.013 0.000 1.877 331 A HA -0.250 4.051 4.320 -0.030 0.000 0.216 331 A C 2.292 179.880 177.584 0.007 0.000 1.186 331 A CA 2.236 54.282 52.037 0.016 0.000 0.620 331 A CB -0.569 18.448 19.000 0.029 0.000 0.822 331 A HN 0.527 nan 8.150 nan 0.000 0.443 332 R N -1.299 119.205 120.500 0.006 0.000 2.153 332 R HA 0.042 4.363 4.340 -0.030 0.000 0.218 332 R C 1.759 178.043 176.300 -0.027 0.000 1.072 332 R CA 1.251 57.351 56.100 -0.000 0.000 0.990 332 R CB -0.399 29.908 30.300 0.012 0.000 0.889 332 R HN 0.341 nan 8.270 nan 0.000 0.452 333 Q N 0.831 120.611 119.800 -0.032 0.000 2.224 333 Q HA 0.037 4.359 4.340 -0.030 0.000 0.203 333 Q C 2.014 177.977 176.000 -0.061 0.000 0.970 333 Q CA 1.093 56.864 55.803 -0.053 0.000 0.865 333 Q CB -0.015 28.693 28.738 -0.049 0.000 0.922 333 Q HN 0.460 nan 8.270 nan 0.000 0.445 334 L N -0.399 120.798 121.223 -0.043 0.000 2.179 334 L HA -0.091 4.231 4.340 -0.030 0.000 0.208 334 L C 2.501 179.344 176.870 -0.045 0.000 1.096 334 L CA 0.703 55.517 54.840 -0.042 0.000 0.779 334 L CB -0.149 41.894 42.059 -0.027 0.000 0.922 334 L HN 0.138 nan 8.230 nan 0.000 0.443 335 R N 0.065 120.541 120.500 -0.040 0.000 2.055 335 R HA -0.058 4.264 4.340 -0.030 0.000 0.228 335 R C 2.299 178.555 176.300 -0.072 0.000 1.143 335 R CA 1.064 57.137 56.100 -0.045 0.000 0.945 335 R CB -0.487 29.795 30.300 -0.029 0.000 0.841 335 R HN 0.240 nan 8.270 nan 0.000 0.429 336 L N 0.407 121.578 121.223 -0.086 0.000 2.013 336 L HA -0.228 4.094 4.340 -0.030 0.000 0.212 336 L C 2.553 179.329 176.870 -0.156 0.000 1.073 336 L CA 1.665 56.432 54.840 -0.121 0.000 0.753 336 L CB -0.471 41.511 42.059 -0.129 0.000 0.890 336 L HN 0.170 nan 8.230 nan 0.000 0.432 337 R N -0.590 119.820 120.500 -0.149 0.000 2.189 337 R HA -0.099 4.222 4.340 -0.030 0.000 0.218 337 R C 0.468 176.694 176.300 -0.122 0.000 1.074 337 R CA 0.544 56.543 56.100 -0.168 0.000 0.991 337 R CB -0.155 30.062 30.300 -0.138 0.000 0.883 337 R HN 0.272 nan 8.270 nan 0.000 0.457 338 D N 0.435 120.779 120.400 -0.093 0.000 2.800 338 D HA -0.179 4.443 4.640 -0.030 0.000 0.232 338 D C -0.879 175.384 176.300 -0.061 0.000 1.137 338 D CA 0.399 54.357 54.000 -0.070 0.000 0.718 338 D CB -0.796 39.962 40.800 -0.069 0.000 1.084 338 D HN 0.177 nan 8.370 nan 0.000 0.432 339 L N 0.184 121.372 121.223 -0.059 0.000 2.485 339 L HA 0.363 4.684 4.340 -0.030 0.000 0.275 339 L C 1.587 178.433 176.870 -0.040 0.000 1.207 339 L CA 0.922 55.732 54.840 -0.051 0.000 0.855 339 L CB 0.964 42.993 42.059 -0.050 0.000 1.114 339 L HN 0.180 nan 8.230 nan 0.000 0.485 340 G N 0.535 109.313 108.800 -0.036 0.000 2.630 340 G HA2 0.650 4.591 3.960 -0.030 0.000 0.296 340 G HA3 0.650 4.591 3.960 -0.030 0.000 0.296 340 G C -0.137 174.747 174.900 -0.026 0.000 1.285 340 G CA -0.036 45.046 45.100 -0.029 0.000 0.958 340 G HN 0.981 nan 8.290 nan 0.000 0.479 341 G N -1.062 107.725 108.800 -0.022 0.000 2.498 341 G HA2 -0.156 3.786 3.960 -0.030 0.000 0.251 341 G HA3 -0.156 3.786 3.960 -0.030 0.000 0.251 341 G C -0.150 174.739 174.900 -0.019 0.000 1.170 341 G CA 0.035 45.124 45.100 -0.020 0.000 0.944 341 G HN 1.040 nan 8.290 nan 0.000 0.567 342 L N 0.725 121.936 121.223 -0.019 0.000 2.307 342 L HA 0.718 5.040 4.340 -0.030 0.000 0.282 342 L C 0.078 176.934 176.870 -0.023 0.000 1.051 342 L CA -0.602 54.227 54.840 -0.018 0.000 0.804 342 L CB 1.359 43.408 42.059 -0.017 0.000 1.197 342 L HN 0.464 nan 8.230 nan 0.000 0.431 343 I N 3.121 123.678 120.570 -0.023 0.000 2.498 343 I HA 0.410 4.562 4.170 -0.030 0.000 0.290 343 I C -0.743 175.355 176.117 -0.031 0.000 1.032 343 I CA -0.683 60.599 61.300 -0.031 0.000 1.073 343 I CB 2.313 40.292 38.000 -0.035 0.000 1.251 343 I HN 0.140 nan 8.210 nan 0.000 0.426 344 V N 6.933 126.821 119.914 -0.043 0.000 2.409 344 V HA 0.468 4.570 4.120 -0.030 0.000 0.291 344 V C -0.116 175.925 176.094 -0.088 0.000 1.020 344 V CA -0.453 61.821 62.300 -0.044 0.000 0.848 344 V CB 1.714 33.517 31.823 -0.033 0.000 0.990 344 V HN 0.467 nan 8.190 nan 0.000 0.430 345 I N 3.552 124.049 120.570 -0.122 0.000 2.328 345 I HA 0.305 4.456 4.170 -0.030 0.000 0.287 345 I C -0.182 175.792 176.117 -0.239 0.000 1.012 345 I CA -0.361 60.766 61.300 -0.289 0.000 1.195 345 I CB 1.387 39.045 38.000 -0.569 0.000 1.350 345 I HN 0.519 nan 8.210 nan 0.000 0.464 346 D N 7.272 127.565 120.400 -0.178 0.000 2.470 346 D HA 0.161 4.783 4.640 -0.030 0.000 0.226 346 D C -0.381 175.884 176.300 -0.058 0.000 1.196 346 D CA -0.070 53.892 54.000 -0.063 0.000 0.979 346 D CB 0.052 40.838 40.800 -0.023 0.000 1.059 346 D HN 0.054 nan 8.370 nan 0.000 0.515 347 F N 2.586 122.562 119.950 0.044 0.000 2.459 347 F HA 0.228 4.740 4.527 -0.026 0.000 0.346 347 F C 1.337 177.166 175.800 0.048 0.000 1.128 347 F CA -0.564 57.462 58.000 0.044 0.000 1.268 347 F CB 0.425 39.458 39.000 0.054 0.000 1.161 347 F HN 0.185 nan 8.300 nan 0.000 0.583 348 I N 2.386 123.114 120.570 0.264 0.000 2.815 348 I HA -0.106 4.046 4.170 -0.030 0.000 0.291 348 I C 0.237 176.449 176.117 0.158 0.000 1.209 348 I CA 0.061 61.459 61.300 0.165 0.000 1.431 348 I CB -0.042 38.034 38.000 0.127 0.000 1.351 348 I HN 0.412 nan 8.210 nan 0.000 0.585 349 D N 6.712 127.184 120.400 0.120 0.000 2.493 349 D HA 0.217 4.839 4.640 -0.030 0.000 0.240 349 D C -0.308 176.052 176.300 0.100 0.000 1.142 349 D CA 0.843 54.905 54.000 0.103 0.000 0.872 349 D CB 0.522 41.369 40.800 0.078 0.000 1.173 349 D HN 0.286 nan 8.370 nan 0.000 0.467 350 M N 0.837 120.494 119.600 0.095 0.000 2.327 350 M HA 0.153 4.615 4.480 -0.030 0.000 0.298 350 M C 1.160 177.495 176.300 0.059 0.000 1.065 350 M CA -0.663 54.702 55.300 0.108 0.000 0.916 350 M CB 2.368 35.063 32.600 0.160 0.000 1.630 350 M HN 0.326 nan 8.290 nan 0.000 0.442 351 T N -1.471 113.105 114.554 0.038 0.000 2.937 351 T HA 0.182 4.514 4.350 -0.030 0.000 0.260 351 T C -1.555 173.103 174.700 -0.069 0.000 1.051 351 T CA 0.271 62.363 62.100 -0.013 0.000 1.141 351 T CB -1.301 67.558 68.868 -0.016 0.000 0.879 351 T HN 0.375 nan 8.240 nan 0.000 0.459 352 P HA 0.434 nan 4.420 nan 0.000 0.281 352 P C 0.835 178.010 177.300 -0.209 0.000 1.252 352 P CA -0.395 62.544 63.100 -0.268 0.000 0.778 352 P CB 1.507 32.835 31.700 -0.620 0.000 0.895 353 V N 2.773 122.590 119.914 -0.162 0.000 2.490 353 V HA -0.288 3.814 4.120 -0.030 0.000 0.250 353 V C 2.859 178.884 176.094 -0.115 0.000 1.061 353 V CA 2.614 64.845 62.300 -0.114 0.000 1.064 353 V CB -1.366 30.396 31.823 -0.103 0.000 0.670 353 V HN 0.666 nan 8.190 nan 0.000 0.461 354 R N -0.924 119.465 120.500 -0.184 0.000 2.148 354 R HA -0.183 4.138 4.340 -0.030 0.000 0.227 354 R C 2.037 178.284 176.300 -0.087 0.000 1.103 354 R CA 1.720 57.730 56.100 -0.151 0.000 0.983 354 R CB -1.243 28.936 30.300 -0.202 0.000 0.874 354 R HN 0.693 nan 8.270 nan 0.000 0.451 355 H N 0.653 119.589 119.070 -0.224 0.000 2.357 355 H HA -0.026 4.511 4.556 -0.031 0.000 0.301 355 H C 2.187 177.520 175.328 0.009 0.000 1.082 355 H CA 1.620 57.523 56.048 -0.242 0.000 1.342 355 H CB -0.163 29.410 29.762 -0.314 0.000 1.389 355 H HN 0.642 nan 8.280 nan 0.000 0.511 356 Q N -0.121 119.733 119.800 0.090 0.000 2.124 356 Q HA -0.150 4.171 4.340 -0.030 0.000 0.202 356 Q C 2.789 178.806 176.000 0.027 0.000 0.977 356 Q CA 1.894 57.717 55.803 0.034 0.000 0.850 356 Q CB -0.084 28.657 28.738 0.006 0.000 0.901 356 Q HN 0.523 nan 8.270 nan 0.000 0.429 357 R N 0.758 121.277 120.500 0.032 0.000 2.096 357 R HA 0.047 4.369 4.340 -0.030 0.000 0.235 357 R C 2.145 178.486 176.300 0.069 0.000 1.127 357 R CA 1.547 57.674 56.100 0.045 0.000 0.968 357 R CB -1.420 28.892 30.300 0.020 0.000 0.861 357 R HN 0.391 nan 8.270 nan 0.000 0.440 358 A N 0.160 123.052 122.820 0.120 0.000 2.014 358 A HA 0.140 4.442 4.320 -0.030 0.000 0.218 358 A C 2.466 180.108 177.584 0.097 0.000 1.163 358 A CA 1.422 53.562 52.037 0.171 0.000 0.652 358 A CB -0.110 19.107 19.000 0.362 0.000 0.808 358 A HN 0.322 nan 8.150 nan 0.000 0.449 359 V N -0.061 119.879 119.914 0.043 0.000 2.591 359 V HA -0.182 3.920 4.120 -0.030 0.000 0.249 359 V C 2.273 178.260 176.094 -0.179 0.000 1.053 359 V CA 1.942 64.139 62.300 -0.172 0.000 1.068 359 V CB -0.631 30.958 31.823 -0.390 0.000 0.689 359 V HN 0.624 nan 8.190 nan 0.000 0.462 360 E N 0.479 120.636 120.200 -0.072 0.000 2.047 360 E HA -0.175 4.157 4.350 -0.030 0.000 0.191 360 E C 1.958 178.575 176.600 0.028 0.000 0.987 360 E CA 1.299 57.705 56.400 0.010 0.000 0.799 360 E CB -0.189 29.561 29.700 0.083 0.000 0.752 360 E HN 0.525 nan 8.360 nan 0.000 0.449 361 N N 0.578 119.297 118.700 0.032 0.000 2.396 361 N HA -0.092 4.630 4.740 -0.030 0.000 0.180 361 N C 1.642 177.163 175.510 0.020 0.000 1.028 361 N CA 0.453 53.523 53.050 0.032 0.000 0.893 361 N CB -0.019 38.492 38.487 0.039 0.000 0.967 361 N HN -0.020 nan 8.380 nan 0.000 0.440 362 R N 1.385 121.888 120.500 0.005 0.000 2.066 362 R HA 0.018 4.340 4.340 -0.030 0.000 0.232 362 R C 2.027 178.337 176.300 0.018 0.000 1.131 362 R CA 0.786 56.883 56.100 -0.006 0.000 0.955 362 R CB -1.082 29.191 30.300 -0.044 0.000 0.851 362 R HN 0.229 nan 8.270 nan 0.000 0.432 363 L N 0.926 122.172 121.223 0.039 0.000 2.093 363 L HA -0.053 4.268 4.340 -0.030 0.000 0.208 363 L C 2.289 179.190 176.870 0.052 0.000 1.085 363 L CA 1.653 56.538 54.840 0.075 0.000 0.755 363 L CB -0.272 41.871 42.059 0.142 0.000 0.904 363 L HN 0.068 nan 8.230 nan 0.000 0.435 364 R N -0.436 120.087 120.500 0.039 0.000 2.075 364 R HA -0.131 4.191 4.340 -0.030 0.000 0.232 364 R C 2.257 178.571 176.300 0.023 0.000 1.126 364 R CA 1.497 57.614 56.100 0.029 0.000 0.963 364 R CB -0.563 29.750 30.300 0.023 0.000 0.858 364 R HN 0.601 nan 8.270 nan 0.000 0.435 365 E N 0.652 120.864 120.200 0.020 0.000 2.208 365 E HA 0.002 4.334 4.350 -0.030 0.000 0.193 365 E C 1.744 178.353 176.600 0.015 0.000 0.988 365 E CA 1.079 57.487 56.400 0.013 0.000 0.828 365 E CB -0.296 29.408 29.700 0.007 0.000 0.763 365 E HN 0.500 nan 8.360 nan 0.000 0.478 366 A N 0.571 123.404 122.820 0.021 0.000 2.021 366 A HA 0.193 4.495 4.320 -0.030 0.000 0.216 366 A C 2.479 180.082 177.584 0.031 0.000 1.163 366 A CA 1.516 53.568 52.037 0.024 0.000 0.676 366 A CB -0.187 18.830 19.000 0.028 0.000 0.818 366 A HN 0.976 nan 8.150 nan 0.000 0.453 367 V N -3.797 116.137 119.914 0.032 0.000 3.649 367 V HA 0.279 4.380 4.120 -0.030 0.000 0.275 367 V C 2.278 178.394 176.094 0.037 0.000 1.281 367 V CA 0.981 63.301 62.300 0.033 0.000 1.143 367 V CB -1.460 30.381 31.823 0.030 0.000 0.892 367 V HN 0.482 nan 8.190 nan 0.000 0.441 368 R N 0.233 120.753 120.500 0.035 0.000 2.120 368 R HA -0.077 4.245 4.340 -0.030 0.000 0.234 368 R C 2.164 178.500 176.300 0.061 0.000 1.123 368 R CA 2.296 58.419 56.100 0.038 0.000 0.975 368 R CB -1.599 28.714 30.300 0.023 0.000 0.866 368 R HN 0.845 nan 8.270 nan 0.000 0.446 369 Q N 0.903 120.740 119.800 0.063 0.000 2.432 369 Q HA 0.105 4.427 4.340 -0.030 0.000 0.205 369 Q C 0.791 176.849 176.000 0.097 0.000 0.945 369 Q CA 0.485 56.343 55.803 0.092 0.000 0.924 369 Q CB -0.200 28.589 28.738 0.085 0.000 1.016 369 Q HN 0.692 nan 8.270 nan 0.000 0.503 370 D N -0.282 120.159 120.400 0.069 0.000 2.383 370 D HA 0.311 4.933 4.640 -0.030 0.000 0.252 370 D C 1.423 177.749 176.300 0.043 0.000 1.166 370 D CA 0.595 54.623 54.000 0.047 0.000 0.879 370 D CB 1.143 41.961 40.800 0.029 0.000 1.164 370 D HN 0.331 nan 8.370 nan 0.000 0.462 371 R N 3.305 123.814 120.500 0.015 0.000 2.152 371 R HA 0.127 4.449 4.340 -0.030 0.000 0.232 371 R C 1.298 177.593 176.300 -0.008 0.000 1.117 371 R CA 1.346 57.436 56.100 -0.016 0.000 0.981 371 R CB -1.036 29.226 30.300 -0.063 0.000 0.870 371 R HN 0.623 nan 8.270 nan 0.000 0.451 372 A N 0.320 123.137 122.820 -0.005 0.000 2.445 372 A HA 0.565 4.867 4.320 -0.030 0.000 0.242 372 A C 0.912 178.498 177.584 0.003 0.000 1.075 372 A CA 0.174 52.206 52.037 -0.007 0.000 0.777 372 A CB -0.167 18.826 19.000 -0.012 0.000 1.013 372 A HN 1.052 nan 8.150 nan 0.000 0.493 373 R N 1.599 122.099 120.500 -0.000 0.000 2.402 373 R HA 0.471 4.792 4.340 -0.030 0.000 0.331 373 R C -0.491 175.809 176.300 0.002 0.000 1.040 373 R CA 0.506 56.608 56.100 0.003 0.000 0.980 373 R CB -0.879 29.421 30.300 -0.000 0.000 0.967 373 R HN 0.657 nan 8.270 nan 0.000 0.440 374 I N 1.819 122.392 120.570 0.006 0.000 2.433 374 I HA 0.577 4.728 4.170 -0.030 0.000 0.292 374 I C 0.457 176.576 176.117 0.002 0.000 1.001 374 I CA -0.663 60.639 61.300 0.004 0.000 1.119 374 I CB 2.212 40.217 38.000 0.009 0.000 1.289 374 I HN 0.801 nan 8.210 nan 0.000 0.438 375 Q N 6.827 126.626 119.800 -0.002 0.000 2.304 375 Q HA 0.785 5.107 4.340 -0.030 0.000 0.270 375 Q C -1.313 174.681 176.000 -0.011 0.000 1.035 375 Q CA -0.475 55.323 55.803 -0.008 0.000 0.781 375 Q CB 2.496 31.228 28.738 -0.011 0.000 1.261 375 Q HN 0.665 nan 8.270 nan 0.000 0.444 376 I N 1.981 122.538 120.570 -0.022 0.000 2.466 376 I HA 0.525 4.677 4.170 -0.030 0.000 0.289 376 I C 0.768 176.840 176.117 -0.075 0.000 1.026 376 I CA -0.778 60.508 61.300 -0.022 0.000 1.078 376 I CB 2.487 40.487 38.000 -0.000 0.000 1.249 376 I HN 0.863 nan 8.210 nan 0.000 0.429 377 S N 4.893 120.553 115.700 -0.067 0.000 2.495 377 S HA 0.505 4.956 4.470 -0.030 0.000 0.273 377 S C 0.104 174.597 174.600 -0.179 0.000 1.156 377 S CA -0.607 57.502 58.200 -0.151 0.000 1.032 377 S CB 0.659 63.836 63.200 -0.039 0.000 1.160 377 S HN 0.502 nan 8.310 nan 0.000 0.489 378 H N -0.659 118.448 119.070 0.061 0.000 2.530 378 H HA 0.456 4.993 4.556 -0.031 0.000 0.342 378 H C -0.316 175.067 175.328 0.090 0.000 1.312 378 H CA -0.764 55.322 56.048 0.063 0.000 1.376 378 H CB 0.453 30.241 29.762 0.044 0.000 1.692 378 H HN 0.459 nan 8.280 nan 0.000 0.622 379 I N 2.151 122.873 120.570 0.253 0.000 2.436 379 I HA -0.059 4.093 4.170 -0.030 0.000 0.289 379 I C 1.174 177.380 176.117 0.149 0.000 1.083 379 I CA 0.011 61.426 61.300 0.192 0.000 1.372 379 I CB 0.254 38.337 38.000 0.138 0.000 1.408 379 I HN 0.487 nan 8.210 nan 0.000 0.516 380 S N 6.659 122.456 115.700 0.161 0.000 2.640 380 S HA 0.178 4.630 4.470 -0.030 0.000 0.262 380 S C 1.246 175.875 174.600 0.048 0.000 1.232 380 S CA -0.588 57.689 58.200 0.129 0.000 0.988 380 S CB 0.624 63.953 63.200 0.214 0.000 1.034 380 S HN 0.804 nan 8.310 nan 0.000 0.569 381 R N -0.716 119.739 120.500 -0.075 0.000 2.276 381 R HA 0.108 4.429 4.340 -0.030 0.000 0.203 381 R C 0.671 176.759 176.300 -0.353 0.000 1.017 381 R CA 0.992 56.944 56.100 -0.248 0.000 1.010 381 R CB -0.606 29.462 30.300 -0.386 0.000 0.900 381 R HN 0.622 nan 8.270 nan 0.000 0.469 382 F N 0.592 120.566 119.950 0.041 0.000 2.727 382 F HA 0.382 4.906 4.527 -0.006 0.000 0.302 382 F C 1.335 177.167 175.800 0.054 0.000 1.097 382 F CA 0.395 58.419 58.000 0.040 0.000 1.330 382 F CB 0.903 39.924 39.000 0.035 0.000 1.084 382 F HN 0.268 nan 8.300 nan 0.000 0.578 383 G N 1.551 110.462 108.800 0.185 0.000 2.182 383 G HA2 -0.270 3.672 3.960 -0.030 0.000 0.248 383 G HA3 -0.270 3.672 3.960 -0.030 0.000 0.248 383 G C -0.329 174.694 174.900 0.206 0.000 1.042 383 G CA -0.224 44.980 45.100 0.174 0.000 0.775 383 G HN 0.289 nan 8.290 nan 0.000 0.501 384 L N -0.920 120.432 121.223 0.215 0.000 2.342 384 L HA 0.837 5.158 4.340 -0.030 0.000 0.271 384 L C -0.049 176.939 176.870 0.197 0.000 1.008 384 L CA -1.406 53.542 54.840 0.180 0.000 0.818 384 L CB 1.955 44.094 42.059 0.134 0.000 1.296 384 L HN 0.118 nan 8.230 nan 0.000 0.427 385 L N 2.032 123.363 121.223 0.181 0.000 2.333 385 L HA 0.435 4.756 4.340 -0.030 0.000 0.280 385 L C -0.573 176.350 176.870 0.088 0.000 1.004 385 L CA 0.063 55.012 54.840 0.182 0.000 0.820 385 L CB 1.481 43.733 42.059 0.322 0.000 1.247 385 L HN 0.510 nan 8.230 nan 0.000 0.416 386 E N 6.658 126.903 120.200 0.075 0.000 2.216 386 E HA 0.638 4.969 4.350 -0.030 0.000 0.279 386 E C -0.758 175.858 176.600 0.026 0.000 0.997 386 E CA -0.534 55.888 56.400 0.037 0.000 0.817 386 E CB 1.780 31.500 29.700 0.034 0.000 1.096 386 E HN 0.706 nan 8.360 nan 0.000 0.393 387 M N -0.777 118.830 119.600 0.011 0.000 2.644 387 M HA 0.579 5.041 4.480 -0.030 0.000 0.273 387 M C -1.181 175.117 176.300 -0.004 0.000 1.253 387 M CA -0.945 54.358 55.300 0.005 0.000 0.852 387 M CB 2.341 34.949 32.600 0.013 0.000 1.708 387 M HN 0.384 nan 8.290 nan 0.000 0.471 388 S N 0.427 116.124 115.700 -0.005 0.000 2.536 388 S HA 0.823 5.274 4.470 -0.030 0.000 0.287 388 S C -1.195 173.400 174.600 -0.009 0.000 1.101 388 S CA -0.872 57.323 58.200 -0.009 0.000 0.950 388 S CB 2.518 65.713 63.200 -0.008 0.000 1.056 388 S HN 0.989 nan 8.310 nan 0.000 0.481 389 R N 0.572 121.065 120.500 -0.012 0.000 2.628 389 R HA 0.624 4.945 4.340 -0.030 0.000 0.288 389 R C -0.800 175.491 176.300 -0.015 0.000 0.980 389 R CA -0.227 55.865 56.100 -0.013 0.000 0.891 389 R CB 1.649 31.940 30.300 -0.016 0.000 1.188 389 R HN 0.902 nan 8.270 nan 0.000 0.450 390 Q N 3.462 123.253 119.800 -0.014 0.000 2.337 390 Q HA 0.178 4.499 4.340 -0.030 0.000 0.255 390 Q C -0.199 175.788 176.000 -0.020 0.000 0.997 390 Q CA -0.417 55.377 55.803 -0.016 0.000 0.925 390 Q CB 0.698 29.427 28.738 -0.014 0.000 1.212 390 Q HN 0.679 nan 8.270 nan 0.000 0.436 391 R N 2.624 123.110 120.500 -0.023 0.000 2.484 391 R HA 0.164 4.486 4.340 -0.030 0.000 0.293 391 R C 0.261 176.545 176.300 -0.027 0.000 1.023 391 R CA 0.093 56.176 56.100 -0.028 0.000 1.037 391 R CB 0.009 30.291 30.300 -0.030 0.000 0.951 391 R HN 0.810 nan 8.270 nan 0.000 0.418 392 L N 2.536 123.740 121.223 -0.030 0.000 2.109 392 L HA -0.035 4.287 4.340 -0.030 0.000 0.207 392 L C 0.794 177.646 176.870 -0.029 0.000 1.086 392 L CA 1.037 55.859 54.840 -0.030 0.000 0.760 392 L CB -0.271 41.767 42.059 -0.034 0.000 0.910 392 L HN 0.751 nan 8.230 nan 0.000 0.437 393 S N -1.404 114.278 115.700 -0.030 0.000 2.454 393 S HA 0.350 4.802 4.470 -0.030 0.000 0.306 393 S C -1.447 173.138 174.600 -0.025 0.000 1.100 393 S CA -1.418 56.765 58.200 -0.028 0.000 1.087 393 S CB 1.424 64.606 63.200 -0.029 0.000 1.019 393 S HN -0.101 nan 8.310 nan 0.000 0.480 394 P HA -0.170 nan 4.420 nan 0.000 0.219 394 P C 0.686 177.976 177.300 -0.017 0.000 1.158 394 P CA 1.117 64.207 63.100 -0.016 0.000 0.895 394 P CB -0.268 31.424 31.700 -0.012 0.000 0.792 395 S N 0.185 115.874 115.700 -0.019 0.000 3.024 395 S HA 0.159 4.611 4.470 -0.030 0.000 0.316 395 S C 0.551 175.136 174.600 -0.026 0.000 1.197 395 S CA -0.430 57.758 58.200 -0.019 0.000 1.097 395 S CB -1.470 61.720 63.200 -0.017 0.000 1.471 395 S HN 0.034 nan 8.310 nan 0.000 0.543 396 L N 5.152 126.359 121.223 -0.027 0.000 2.505 396 L HA 0.339 4.660 4.340 -0.030 0.000 0.279 396 L C 0.997 177.844 176.870 -0.038 0.000 1.211 396 L CA -0.374 54.446 54.840 -0.034 0.000 1.059 396 L CB -0.612 41.429 42.059 -0.030 0.000 1.340 396 L HN 0.653 nan 8.230 nan 0.000 0.447 397 G N 1.118 109.889 108.800 -0.048 0.000 2.677 397 G HA2 0.681 4.623 3.960 -0.030 0.000 0.291 397 G HA3 0.681 4.623 3.960 -0.030 0.000 0.291 397 G C -1.572 173.282 174.900 -0.077 0.000 1.435 397 G CA -0.115 44.955 45.100 -0.050 0.000 0.826 397 G HN 0.297 nan 8.290 nan 0.000 0.491 398 E N -1.215 118.933 120.200 -0.087 0.000 2.281 398 E HA 0.741 5.073 4.350 -0.030 0.000 0.266 398 E C 0.834 177.441 176.600 0.012 0.000 0.893 398 E CA 0.539 56.849 56.400 -0.151 0.000 0.798 398 E CB 0.900 30.262 29.700 -0.562 0.000 1.245 398 E HN 1.626 nan 8.360 nan 0.000 0.410 399 S N 0.794 116.543 115.700 0.082 0.000 2.359 399 S HA 0.019 4.471 4.470 -0.030 0.000 0.224 399 S C 1.492 176.170 174.600 0.130 0.000 1.035 399 S CA 2.095 60.352 58.200 0.096 0.000 1.018 399 S CB -0.089 63.164 63.200 0.088 0.000 0.876 399 S HN 1.691 nan 8.310 nan 0.000 0.448 400 S N 0.522 116.355 115.700 0.222 0.000 2.524 400 S HA 0.656 5.108 4.470 -0.030 0.000 0.227 400 S C -0.904 173.792 174.600 0.160 0.000 1.304 400 S CA -0.794 57.499 58.200 0.155 0.000 1.185 400 S CB 0.309 63.542 63.200 0.054 0.000 1.104 400 S HN 0.489 nan 8.310 nan 0.000 0.475 401 H N 1.919 121.031 119.070 0.069 0.000 2.960 401 H HA 0.588 5.125 4.556 -0.031 0.000 0.338 401 H C -0.763 174.669 175.328 0.173 0.000 1.261 401 H CA -0.712 55.386 56.048 0.083 0.000 1.136 401 H CB 2.225 32.001 29.762 0.022 0.000 1.875 401 H HN 0.882 nan 8.280 nan 0.000 0.550 402 H N -1.557 117.560 119.070 0.080 0.000 3.008 402 H HA 0.253 4.792 4.556 -0.028 0.000 0.354 402 H C -0.529 174.837 175.328 0.063 0.000 1.252 402 H CA -0.930 55.152 56.048 0.056 0.000 1.117 402 H CB 0.564 30.334 29.762 0.014 0.000 1.857 402 H HN 0.372 nan 8.280 nan 0.000 0.547 403 V N -0.567 119.399 119.914 0.087 0.000 2.681 403 V HA -0.076 4.026 4.120 -0.030 0.000 0.306 403 V C 1.337 177.395 176.094 -0.060 0.000 1.077 403 V CA -0.633 61.678 62.300 0.018 0.000 1.224 403 V CB -0.866 30.991 31.823 0.057 0.000 0.879 403 V HN 0.822 nan 8.190 nan 0.000 0.494 404 C N 9.003 128.258 119.300 -0.075 0.000 2.638 404 C HA 0.272 4.714 4.460 -0.030 0.000 0.410 404 C C 0.243 175.230 174.990 -0.005 0.000 1.404 404 C CA -0.568 58.410 59.018 -0.068 0.000 1.651 404 C CB 0.146 27.857 27.740 -0.048 0.000 2.495 404 C HN 0.952 nan 8.230 nan 0.000 0.606 405 P HA -0.124 nan 4.420 nan 0.000 0.216 405 P C 1.650 178.966 177.300 0.026 0.000 1.153 405 P CA 1.255 64.395 63.100 0.066 0.000 0.844 405 P CB -0.109 31.656 31.700 0.107 0.000 0.787 406 R N 0.711 121.214 120.500 0.005 0.000 2.092 406 R HA -0.102 4.220 4.340 -0.030 0.000 0.231 406 R C 1.955 178.218 176.300 -0.062 0.000 1.119 406 R CA 2.097 58.178 56.100 -0.030 0.000 0.970 406 R CB -0.664 29.627 30.300 -0.014 0.000 0.864 406 R HN 0.280 nan 8.270 nan 0.000 0.440 407 C N -0.989 118.287 119.300 -0.041 0.000 2.697 407 C HA 0.513 4.954 4.460 -0.030 0.000 0.267 407 C C 1.423 176.387 174.990 -0.043 0.000 1.278 407 C CA -0.005 58.986 59.018 -0.044 0.000 1.708 407 C CB -0.404 27.318 27.740 -0.030 0.000 1.860 407 C HN 0.634 nan 8.230 nan 0.000 0.589 408 S N 0.076 115.754 115.700 -0.037 0.000 3.581 408 S HA 0.222 4.673 4.470 -0.030 0.000 0.354 408 S C 1.797 176.391 174.600 -0.010 0.000 1.059 408 S CA 1.630 59.817 58.200 -0.022 0.000 1.060 408 S CB -1.789 61.383 63.200 -0.048 0.000 0.908 408 S HN 2.639 nan 8.310 nan 0.000 0.475 409 G N -1.667 107.128 108.800 -0.008 0.000 2.397 409 G HA2 0.110 4.051 3.960 -0.030 0.000 0.211 409 G HA3 0.110 4.051 3.960 -0.030 0.000 0.211 409 G C 0.988 175.883 174.900 -0.009 0.000 1.077 409 G CA 0.848 45.946 45.100 -0.003 0.000 0.649 409 G HN 2.483 nan 8.290 nan 0.000 0.511 410 T N -0.473 114.072 114.554 -0.014 0.000 2.904 410 T HA 0.552 4.884 4.350 -0.030 0.000 0.290 410 T C 1.347 176.036 174.700 -0.018 0.000 1.018 410 T CA 0.732 62.822 62.100 -0.015 0.000 1.075 410 T CB 1.792 70.650 68.868 -0.017 0.000 0.986 410 T HN 1.352 nan 8.240 nan 0.000 0.523 411 G N 0.427 109.217 108.800 -0.017 0.000 3.262 411 G HA2 0.292 4.233 3.960 -0.030 0.000 0.228 411 G HA3 0.292 4.233 3.960 -0.030 0.000 0.228 411 G C 0.349 175.237 174.900 -0.020 0.000 1.197 411 G CA -0.132 44.958 45.100 -0.017 0.000 0.819 411 G HN 0.907 nan 8.290 nan 0.000 0.531 412 T N -0.067 114.473 114.554 -0.023 0.000 2.807 412 T HA 0.538 4.869 4.350 -0.030 0.000 0.279 412 T C -0.920 173.762 174.700 -0.029 0.000 0.993 412 T CA -0.431 61.654 62.100 -0.024 0.000 0.970 412 T CB 1.777 70.632 68.868 -0.023 0.000 0.950 412 T HN -0.147 nan 8.240 nan 0.000 0.441 413 V N 6.160 126.056 119.914 -0.031 0.000 2.448 413 V HA 0.517 4.618 4.120 -0.030 0.000 0.295 413 V C 0.392 176.464 176.094 -0.037 0.000 1.025 413 V CA -1.001 61.278 62.300 -0.036 0.000 0.859 413 V CB 1.648 33.450 31.823 -0.035 0.000 0.988 413 V HN 0.837 nan 8.190 nan 0.000 0.431 414 R N 3.208 123.686 120.500 -0.038 0.000 2.370 414 R HA 0.119 4.440 4.340 -0.030 0.000 0.309 414 R C -0.027 176.240 176.300 -0.055 0.000 1.059 414 R CA -0.390 55.687 56.100 -0.038 0.000 0.981 414 R CB 0.299 30.584 30.300 -0.025 0.000 0.972 414 R HN 0.696 nan 8.270 nan 0.000 0.437 415 D N 2.311 122.674 120.400 -0.062 0.000 2.478 415 D HA -0.097 4.525 4.640 -0.030 0.000 0.234 415 D C 0.846 177.062 176.300 -0.140 0.000 1.154 415 D CA 0.576 54.522 54.000 -0.090 0.000 0.874 415 D CB 0.667 41.418 40.800 -0.082 0.000 1.198 415 D HN 0.606 nan 8.370 nan 0.000 0.455 416 N N 1.488 120.068 118.700 -0.200 0.000 2.205 416 N HA -0.236 4.485 4.740 -0.030 0.000 0.186 416 N C 1.716 176.892 175.510 -0.558 0.000 1.015 416 N CA 1.303 54.153 53.050 -0.333 0.000 0.862 416 N CB 0.205 38.475 38.487 -0.362 0.000 0.986 416 N HN 0.609 nan 8.380 nan 0.000 0.429 417 E N 1.079 120.985 120.200 -0.490 0.000 2.012 417 E HA -0.219 4.112 4.350 -0.030 0.000 0.197 417 E C 1.935 178.454 176.600 -0.136 0.000 1.007 417 E CA 1.800 57.994 56.400 -0.343 0.000 0.816 417 E CB -1.124 28.507 29.700 -0.113 0.000 0.762 417 E HN 0.360 nan 8.360 nan 0.000 0.451 418 S N -0.456 115.186 115.700 -0.096 0.000 2.387 418 S HA -0.054 4.397 4.470 -0.030 0.000 0.226 418 S C 2.166 176.740 174.600 -0.044 0.000 1.026 418 S CA 1.289 59.464 58.200 -0.042 0.000 0.972 418 S CB -0.303 62.877 63.200 -0.034 0.000 0.814 418 S HN 0.486 nan 8.310 nan 0.000 0.477 419 L N 2.162 123.345 121.223 -0.066 0.000 1.990 419 L HA -0.067 4.255 4.340 -0.030 0.000 0.213 419 L C 2.413 179.238 176.870 -0.076 0.000 1.072 419 L CA 2.469 57.276 54.840 -0.055 0.000 0.755 419 L CB -1.427 40.602 42.059 -0.051 0.000 0.889 419 L HN 0.323 nan 8.230 nan 0.000 0.432 420 S N -0.380 115.282 115.700 -0.063 0.000 2.353 420 S HA -0.192 4.260 4.470 -0.030 0.000 0.222 420 S C 1.941 176.549 174.600 0.014 0.000 1.035 420 S CA 1.791 59.996 58.200 0.007 0.000 1.025 420 S CB -0.620 62.686 63.200 0.175 0.000 0.902 420 S HN 0.488 nan 8.310 nan 0.000 0.440 421 L N 1.113 122.359 121.223 0.038 0.000 2.129 421 L HA -0.142 4.180 4.340 -0.030 0.000 0.212 421 L C 2.649 179.511 176.870 -0.012 0.000 1.087 421 L CA 1.245 56.101 54.840 0.026 0.000 0.757 421 L CB -0.500 41.580 42.059 0.035 0.000 0.896 421 L HN 0.311 nan 8.230 nan 0.000 0.434 422 S N -0.097 115.581 115.700 -0.037 0.000 2.377 422 S HA -0.043 4.409 4.470 -0.030 0.000 0.223 422 S C 1.945 176.485 174.600 -0.099 0.000 1.030 422 S CA 0.761 58.933 58.200 -0.047 0.000 0.970 422 S CB -0.130 63.051 63.200 -0.031 0.000 0.830 422 S HN 0.317 nan 8.310 nan 0.000 0.473 423 I N 1.159 121.614 120.570 -0.192 0.000 2.394 423 I HA -0.108 4.044 4.170 -0.030 0.000 0.251 423 I C 2.244 178.283 176.117 -0.130 0.000 1.136 423 I CA 0.619 61.747 61.300 -0.287 0.000 1.425 423 I CB -0.270 37.462 38.000 -0.447 0.000 1.079 423 I HN 0.302 nan 8.210 nan 0.000 0.425 424 L N 1.331 122.510 121.223 -0.074 0.000 2.046 424 L HA -0.216 4.106 4.340 -0.030 0.000 0.208 424 L C 2.967 179.824 176.870 -0.021 0.000 1.077 424 L CA 2.307 57.128 54.840 -0.031 0.000 0.747 424 L CB -0.747 41.309 42.059 -0.007 0.000 0.896 424 L HN 0.183 nan 8.230 nan 0.000 0.432 425 R N -0.791 119.696 120.500 -0.021 0.000 2.115 425 R HA -0.065 4.257 4.340 -0.030 0.000 0.226 425 R C 1.973 178.268 176.300 -0.008 0.000 1.100 425 R CA 1.549 57.643 56.100 -0.010 0.000 0.980 425 R CB -1.652 28.645 30.300 -0.005 0.000 0.875 425 R HN 0.421 nan 8.270 nan 0.000 0.445 426 L N 0.438 121.649 121.223 -0.019 0.000 2.072 426 L HA 0.115 4.437 4.340 -0.030 0.000 0.205 426 L C 2.307 179.178 176.870 0.002 0.000 1.079 426 L CA 1.424 56.261 54.840 -0.005 0.000 0.752 426 L CB -0.339 41.711 42.059 -0.015 0.000 0.906 426 L HN 0.411 nan 8.230 nan 0.000 0.436 427 I N -0.357 120.207 120.570 -0.010 0.000 2.179 427 I HA -0.317 3.835 4.170 -0.030 0.000 0.242 427 I C 2.509 178.632 176.117 0.009 0.000 1.088 427 I CA 1.744 63.047 61.300 0.006 0.000 1.357 427 I CB -0.279 37.724 38.000 0.005 0.000 1.051 427 I HN 0.387 nan 8.210 nan 0.000 0.409 428 E N 1.182 121.385 120.200 0.004 0.000 2.110 428 E HA -0.258 4.073 4.350 -0.030 0.000 0.193 428 E C 2.198 178.802 176.600 0.006 0.000 0.988 428 E CA 1.723 58.126 56.400 0.005 0.000 0.804 428 E CB -0.021 29.681 29.700 0.003 0.000 0.745 428 E HN 0.503 nan 8.360 nan 0.000 0.458 429 E N 1.076 121.280 120.200 0.007 0.000 2.204 429 E HA -0.204 4.128 4.350 -0.030 0.000 0.195 429 E C 1.778 178.383 176.600 0.009 0.000 0.990 429 E CA 1.405 57.810 56.400 0.008 0.000 0.821 429 E CB -0.547 29.160 29.700 0.011 0.000 0.750 429 E HN 0.321 nan 8.360 nan 0.000 0.477 430 E N -0.560 119.646 120.200 0.010 0.000 2.170 430 E HA 0.122 4.454 4.350 -0.030 0.000 0.191 430 E C 2.399 178.999 176.600 0.001 0.000 0.981 430 E CA 0.958 57.362 56.400 0.006 0.000 0.830 430 E CB -0.066 29.640 29.700 0.009 0.000 0.775 430 E HN 0.543 nan 8.360 nan 0.000 0.470 431 A N 0.960 123.782 122.820 0.004 0.000 2.014 431 A HA -0.038 4.263 4.320 -0.030 0.000 0.218 431 A C 2.247 179.833 177.584 0.002 0.000 1.163 431 A CA 0.586 52.625 52.037 0.004 0.000 0.652 431 A CB -0.450 18.555 19.000 0.009 0.000 0.808 431 A HN 0.141 nan 8.150 nan 0.000 0.449 432 L N -0.324 120.901 121.223 0.003 0.000 2.217 432 L HA -0.072 4.250 4.340 -0.030 0.000 0.211 432 L C 0.946 177.816 176.870 0.001 0.000 1.107 432 L CA 0.376 55.217 54.840 0.002 0.000 0.783 432 L CB -0.302 41.759 42.059 0.003 0.000 0.919 432 L HN 0.087 nan 8.230 nan 0.000 0.442 433 K N 1.163 121.562 120.400 -0.000 0.000 2.489 433 K HA 0.173 4.474 4.320 -0.030 0.000 0.278 433 K C 0.407 177.005 176.600 -0.003 0.000 1.000 433 K CA 0.373 56.658 56.287 -0.002 0.000 1.012 433 K CB 0.071 32.569 32.500 -0.004 0.000 0.903 433 K HN 0.389 nan 8.250 nan 0.000 0.485 434 E N 1.456 121.654 120.200 -0.003 0.000 2.414 434 E HA 0.111 4.443 4.350 -0.030 0.000 0.263 434 E C 0.628 177.225 176.600 -0.005 0.000 1.000 434 E CA 0.279 56.677 56.400 -0.003 0.000 0.914 434 E CB -0.340 29.358 29.700 -0.002 0.000 0.948 434 E HN 0.790 nan 8.360 nan 0.000 0.444 435 N N 0.069 118.766 118.700 -0.005 0.000 2.882 435 N HA -0.150 4.572 4.740 -0.030 0.000 0.249 435 N C -0.445 175.059 175.510 -0.010 0.000 1.079 435 N CA 1.318 54.364 53.050 -0.007 0.000 0.800 435 N CB -1.650 36.833 38.487 -0.007 0.000 1.124 435 N HN 0.625 nan 8.380 nan 0.000 0.557 436 T N 0.485 115.033 114.554 -0.010 0.000 2.743 436 T HA 0.230 4.562 4.350 -0.030 0.000 0.293 436 T C 1.131 175.825 174.700 -0.011 0.000 0.945 436 T CA -0.241 61.850 62.100 -0.015 0.000 1.030 436 T CB 1.813 70.672 68.868 -0.014 0.000 0.912 436 T HN 0.242 nan 8.240 nan 0.000 0.483 437 Q N 2.796 122.587 119.800 -0.015 0.000 2.178 437 Q HA 0.250 4.572 4.340 -0.030 0.000 0.195 437 Q C 0.799 176.799 176.000 0.001 0.000 0.960 437 Q CA 1.321 57.121 55.803 -0.004 0.000 0.843 437 Q CB 0.270 29.007 28.738 -0.002 0.000 0.927 437 Q HN 0.855 nan 8.270 nan 0.000 0.487 438 E N -1.451 118.736 120.200 -0.022 0.000 2.416 438 E HA 0.696 5.028 4.350 -0.030 0.000 0.273 438 E C -1.632 174.921 176.600 -0.078 0.000 0.935 438 E CA -0.485 55.907 56.400 -0.013 0.000 0.784 438 E CB 2.138 31.859 29.700 0.035 0.000 1.301 438 E HN 0.046 nan 8.360 nan 0.000 0.454 439 V N 2.088 121.993 119.914 -0.015 0.000 2.569 439 V HA 0.406 4.508 4.120 -0.030 0.000 0.301 439 V C -1.250 174.927 176.094 0.138 0.000 1.044 439 V CA -0.506 61.782 62.300 -0.021 0.000 0.874 439 V CB 1.402 33.236 31.823 0.019 0.000 1.002 439 V HN 0.853 nan 8.190 nan 0.000 0.424 440 H N 4.014 123.132 119.070 0.081 0.000 2.541 440 H HA 0.658 5.195 4.556 -0.031 0.000 0.316 440 H C 0.193 175.591 175.328 0.118 0.000 1.043 440 H CA -0.505 55.611 56.048 0.113 0.000 1.232 440 H CB 1.606 31.487 29.762 0.198 0.000 1.406 440 H HN 0.757 nan 8.280 nan 0.000 0.469 441 A N 5.227 128.181 122.820 0.224 0.000 2.294 441 A HA 0.315 4.617 4.320 -0.030 0.000 0.316 441 A C -0.024 177.673 177.584 0.188 0.000 1.359 441 A CA -0.565 51.578 52.037 0.177 0.000 0.956 441 A CB -0.380 18.677 19.000 0.095 0.000 1.155 441 A HN 0.721 nan 8.150 nan 0.000 0.544 442 I N 4.435 125.154 120.570 0.250 0.000 2.287 442 I HA 0.323 4.475 4.170 -0.030 0.000 0.290 442 I C -0.041 176.221 176.117 0.242 0.000 1.069 442 I CA -0.390 61.050 61.300 0.233 0.000 1.237 442 I CB 0.910 39.069 38.000 0.265 0.000 1.418 442 I HN 0.479 nan 8.210 nan 0.000 0.481 443 V N 4.232 124.252 119.914 0.178 0.000 2.960 443 V HA 0.700 4.802 4.120 -0.030 0.000 0.315 443 V C -2.671 173.506 176.094 0.139 0.000 1.087 443 V CA -2.882 59.521 62.300 0.172 0.000 0.982 443 V CB 1.411 33.302 31.823 0.113 0.000 1.039 443 V HN 0.312 nan 8.190 nan 0.000 0.437 444 P HA 0.088 nan 4.420 nan 0.000 0.269 444 P C 1.082 178.431 177.300 0.082 0.000 1.211 444 P CA 0.125 63.287 63.100 0.103 0.000 0.781 444 P CB 0.527 32.286 31.700 0.099 0.000 0.877 445 V N 3.612 123.566 119.914 0.068 0.000 2.261 445 V HA -0.167 3.934 4.120 -0.030 0.000 0.246 445 V C -0.729 175.400 176.094 0.059 0.000 1.047 445 V CA 2.500 64.835 62.300 0.058 0.000 1.015 445 V CB -2.284 29.566 31.823 0.045 0.000 0.642 445 V HN 0.679 nan 8.190 nan 0.000 0.446 446 P HA -0.134 nan 4.420 nan 0.000 0.216 446 P C 1.751 179.100 177.300 0.082 0.000 1.150 446 P CA 1.444 64.578 63.100 0.058 0.000 0.837 446 P CB -0.101 31.620 31.700 0.034 0.000 0.786 447 I N -0.133 120.479 120.570 0.070 0.000 2.202 447 I HA -0.155 3.997 4.170 -0.030 0.000 0.242 447 I C 2.318 178.500 176.117 0.108 0.000 1.091 447 I CA 1.549 62.899 61.300 0.083 0.000 1.368 447 I CB -2.030 36.003 38.000 0.055 0.000 1.058 447 I HN -0.083 nan 8.210 nan 0.000 0.410 448 A N 0.186 123.057 122.820 0.085 0.000 1.940 448 A HA -0.224 4.078 4.320 -0.030 0.000 0.219 448 A C 2.643 180.271 177.584 0.072 0.000 1.176 448 A CA 2.215 54.297 52.037 0.074 0.000 0.631 448 A CB -0.780 18.260 19.000 0.067 0.000 0.814 448 A HN 0.432 nan 8.150 nan 0.000 0.446 449 S N -2.163 113.587 115.700 0.083 0.000 2.355 449 S HA -0.169 4.283 4.470 -0.030 0.000 0.222 449 S C 1.894 176.554 174.600 0.099 0.000 1.031 449 S CA 1.508 59.754 58.200 0.076 0.000 0.993 449 S CB -0.503 62.742 63.200 0.076 0.000 0.859 449 S HN 0.662 nan 8.310 nan 0.000 0.453 450 Y N 1.759 122.062 120.300 0.005 0.000 2.163 450 Y HA 0.021 4.554 4.550 -0.027 0.000 0.288 450 Y C 1.984 177.882 175.900 -0.002 0.000 1.136 450 Y CA 1.601 59.701 58.100 0.001 0.000 1.147 450 Y CB -0.383 38.077 38.460 -0.001 0.000 0.987 450 Y HN 0.224 nan 8.280 nan 0.000 0.509 451 L N -0.416 120.892 121.223 0.142 0.000 2.042 451 L HA -0.260 4.061 4.340 -0.030 0.000 0.210 451 L C 1.991 178.839 176.870 -0.037 0.000 1.076 451 L CA 1.449 56.313 54.840 0.039 0.000 0.749 451 L CB -0.455 41.642 42.059 0.062 0.000 0.893 451 L HN 0.285 nan 8.230 nan 0.000 0.432 452 L N -1.026 120.187 121.223 -0.017 0.000 2.592 452 L HA 0.066 4.387 4.340 -0.030 0.000 0.227 452 L C 1.482 178.327 176.870 -0.041 0.000 1.127 452 L CA -0.133 54.695 54.840 -0.020 0.000 0.884 452 L CB -0.139 41.923 42.059 0.005 0.000 1.065 452 L HN 0.310 nan 8.230 nan 0.000 0.457 453 N N -0.632 118.020 118.700 -0.079 0.000 3.170 453 N HA -0.004 4.718 4.740 -0.030 0.000 0.235 453 N C 1.414 176.826 175.510 -0.164 0.000 1.037 453 N CA 0.278 53.271 53.050 -0.095 0.000 1.160 453 N CB 0.130 38.575 38.487 -0.069 0.000 1.606 453 N HN -0.022 nan 8.380 nan 0.000 0.580 454 E N 1.348 121.370 120.200 -0.297 0.000 2.118 454 E HA -0.078 4.254 4.350 -0.030 0.000 0.195 454 E C 1.495 177.882 176.600 -0.354 0.000 0.992 454 E CA 1.762 57.906 56.400 -0.427 0.000 0.804 454 E CB -0.063 29.088 29.700 -0.915 0.000 0.741 454 E HN 0.406 nan 8.360 nan 0.000 0.458 455 K N 0.604 120.811 120.400 -0.321 0.000 2.455 455 K HA 0.245 4.547 4.320 -0.030 0.000 0.206 455 K C 1.367 177.908 176.600 -0.099 0.000 1.027 455 K CA 0.088 56.265 56.287 -0.182 0.000 1.113 455 K CB -0.214 32.206 32.500 -0.133 0.000 0.850 455 K HN -0.006 nan 8.250 nan 0.000 0.503 456 R N -0.060 120.384 120.500 -0.095 0.000 2.105 456 R HA -0.111 4.211 4.340 -0.030 0.000 0.239 456 R C 2.174 178.450 176.300 -0.039 0.000 1.135 456 R CA 1.878 57.945 56.100 -0.055 0.000 0.967 456 R CB -0.237 30.034 30.300 -0.049 0.000 0.861 456 R HN 0.433 nan 8.270 nan 0.000 0.442 457 S N -0.366 115.307 115.700 -0.045 0.000 2.370 457 S HA -0.136 4.315 4.470 -0.030 0.000 0.226 457 S C 1.813 176.398 174.600 -0.024 0.000 1.033 457 S CA 1.362 59.543 58.200 -0.031 0.000 1.011 457 S CB -0.120 63.060 63.200 -0.033 0.000 0.852 457 S HN 0.572 nan 8.310 nan 0.000 0.457 458 A N 0.423 123.226 122.820 -0.028 0.000 1.968 458 A HA 0.057 4.358 4.320 -0.030 0.000 0.217 458 A C 2.221 179.799 177.584 -0.011 0.000 1.169 458 A CA 1.255 53.281 52.037 -0.017 0.000 0.638 458 A CB -0.659 18.331 19.000 -0.017 0.000 0.812 458 A HN 0.404 nan 8.150 nan 0.000 0.446 459 V N 1.261 121.167 119.914 -0.014 0.000 2.295 459 V HA -0.278 3.823 4.120 -0.030 0.000 0.246 459 V C 2.228 178.322 176.094 -0.001 0.000 1.049 459 V CA 2.099 64.396 62.300 -0.005 0.000 1.024 459 V CB -0.995 30.826 31.823 -0.005 0.000 0.648 459 V HN 0.547 nan 8.190 nan 0.000 0.447 460 N N 0.644 119.341 118.700 -0.005 0.000 2.166 460 N HA -0.118 4.603 4.740 -0.030 0.000 0.186 460 N C 1.908 177.417 175.510 -0.001 0.000 1.019 460 N CA 1.655 54.704 53.050 -0.002 0.000 0.856 460 N CB -0.429 38.054 38.487 -0.006 0.000 0.993 460 N HN 0.519 nan 8.380 nan 0.000 0.426 461 A N 1.143 123.960 122.820 -0.004 0.000 1.933 461 A HA -0.056 4.246 4.320 -0.030 0.000 0.218 461 A C 2.324 179.908 177.584 0.001 0.000 1.175 461 A CA 0.818 52.853 52.037 -0.002 0.000 0.628 461 A CB -0.537 18.460 19.000 -0.004 0.000 0.814 461 A HN 0.193 nan 8.150 nan 0.000 0.444 462 I N -0.720 119.851 120.570 0.002 0.000 2.202 462 I HA -0.229 3.923 4.170 -0.030 0.000 0.242 462 I C 2.495 178.616 176.117 0.007 0.000 1.091 462 I CA 1.519 62.822 61.300 0.005 0.000 1.368 462 I CB -0.392 37.612 38.000 0.006 0.000 1.058 462 I HN 0.380 nan 8.210 nan 0.000 0.410 463 E N -0.009 120.196 120.200 0.009 0.000 2.153 463 E HA -0.227 4.105 4.350 -0.030 0.000 0.194 463 E C 2.182 178.787 176.600 0.008 0.000 0.988 463 E CA 1.822 58.228 56.400 0.011 0.000 0.811 463 E CB -0.052 29.657 29.700 0.014 0.000 0.746 463 E HN 0.558 nan 8.360 nan 0.000 0.466 464 T N -1.316 113.241 114.554 0.006 0.000 3.014 464 T HA 0.010 4.342 4.350 -0.030 0.000 0.263 464 T C 1.817 176.519 174.700 0.004 0.000 1.078 464 T CA 0.331 62.434 62.100 0.004 0.000 1.135 464 T CB 0.109 68.978 68.868 0.002 0.000 0.895 464 T HN -0.016 nan 8.240 nan 0.000 0.480 465 R N 0.325 120.827 120.500 0.004 0.000 2.100 465 R HA 0.158 4.480 4.340 -0.030 0.000 0.220 465 R C 0.665 176.967 176.300 0.004 0.000 1.091 465 R CA 0.650 56.752 56.100 0.003 0.000 0.986 465 R CB 0.133 30.434 30.300 0.003 0.000 0.888 465 R HN 0.379 nan 8.270 nan 0.000 0.444 466 Q N 1.756 121.559 119.800 0.005 0.000 3.006 466 Q HA 0.069 4.390 4.340 -0.030 0.000 0.260 466 Q C -1.101 174.903 176.000 0.007 0.000 1.356 466 Q CA -0.081 55.726 55.803 0.006 0.000 1.070 466 Q CB 0.293 29.035 28.738 0.007 0.000 1.507 466 Q HN 0.052 nan 8.270 nan 0.000 0.568 467 D N 0.591 120.994 120.400 0.006 0.000 2.455 467 D HA 0.147 4.769 4.640 -0.030 0.000 0.265 467 D C 1.156 177.460 176.300 0.007 0.000 1.284 467 D CA 1.578 55.581 54.000 0.006 0.000 0.944 467 D CB 0.016 40.819 40.800 0.005 0.000 1.121 467 D HN 0.685 nan 8.370 nan 0.000 0.525 468 G N 2.254 111.059 108.800 0.009 0.000 2.184 468 G HA2 -0.187 3.755 3.960 -0.030 0.000 0.206 468 G HA3 -0.187 3.755 3.960 -0.030 0.000 0.206 468 G C 0.074 174.982 174.900 0.013 0.000 0.995 468 G CA 0.008 45.114 45.100 0.010 0.000 0.651 468 G HN 0.572 nan 8.290 nan 0.000 0.511 469 V N 1.455 121.377 119.914 0.014 0.000 2.383 469 V HA 0.762 4.863 4.120 -0.030 0.000 0.275 469 V C 0.917 177.028 176.094 0.028 0.000 1.036 469 V CA 0.051 62.361 62.300 0.018 0.000 0.889 469 V CB 0.907 32.737 31.823 0.013 0.000 0.985 469 V HN 0.824 nan 8.190 nan 0.000 0.459 470 R N 2.925 123.449 120.500 0.040 0.000 2.267 470 R HA 0.436 4.757 4.340 -0.030 0.000 0.319 470 R C -0.310 176.038 176.300 0.080 0.000 1.067 470 R CA -0.309 55.827 56.100 0.059 0.000 0.936 470 R CB 0.122 30.467 30.300 0.075 0.000 1.006 470 R HN 0.864 nan 8.270 nan 0.000 0.452 471 C N 3.389 122.730 119.300 0.068 0.000 2.281 471 C HA 0.512 4.954 4.460 -0.030 0.000 0.336 471 C C 0.191 175.235 174.990 0.090 0.000 1.217 471 C CA -0.957 58.108 59.018 0.079 0.000 1.730 471 C CB 0.003 27.773 27.740 0.049 0.000 2.338 471 C HN 0.679 nan 8.230 nan 0.000 0.521 472 V N 6.236 126.236 119.914 0.144 0.000 2.347 472 V HA 0.404 4.506 4.120 -0.030 0.000 0.280 472 V C -0.020 176.124 176.094 0.084 0.000 1.021 472 V CA -0.136 62.218 62.300 0.089 0.000 0.847 472 V CB 1.049 32.880 31.823 0.013 0.000 0.990 472 V HN 0.706 nan 8.190 nan 0.000 0.444 473 I N 5.525 126.127 120.570 0.054 0.000 2.359 473 I HA 0.396 4.547 4.170 -0.030 0.000 0.284 473 I C -0.378 175.770 176.117 0.052 0.000 1.018 473 I CA -0.520 60.816 61.300 0.060 0.000 1.173 473 I CB 1.794 39.823 38.000 0.049 0.000 1.326 473 I HN 0.402 nan 8.210 nan 0.000 0.462 474 V N 9.529 129.480 119.914 0.062 0.000 2.347 474 V HA 0.533 4.635 4.120 -0.030 0.000 0.280 474 V C -2.155 173.986 176.094 0.079 0.000 1.021 474 V CA -2.213 60.123 62.300 0.060 0.000 0.847 474 V CB 1.870 33.715 31.823 0.036 0.000 0.990 474 V HN 0.453 nan 8.190 nan 0.000 0.444 475 P HA 0.161 nan 4.420 nan 0.000 0.271 475 P C -1.078 176.268 177.300 0.077 0.000 1.226 475 P CA 0.116 63.259 63.100 0.072 0.000 0.765 475 P CB 0.513 32.246 31.700 0.055 0.000 0.835 476 N N 2.920 121.670 118.700 0.084 0.000 2.483 476 N HA 0.089 4.811 4.740 -0.030 0.000 0.267 476 N C 0.326 175.879 175.510 0.072 0.000 0.998 476 N CA -0.585 52.514 53.050 0.082 0.000 0.918 476 N CB 0.618 39.165 38.487 0.101 0.000 1.215 476 N HN 0.203 nan 8.380 nan 0.000 0.500 477 D N 1.889 122.322 120.400 0.056 0.000 2.363 477 D HA -0.064 4.558 4.640 -0.030 0.000 0.226 477 D C 0.562 176.890 176.300 0.046 0.000 1.020 477 D CA 0.687 54.715 54.000 0.046 0.000 0.892 477 D CB 0.301 41.121 40.800 0.032 0.000 0.900 477 D HN 0.382 nan 8.370 nan 0.000 0.531 478 Q N -0.447 119.385 119.800 0.052 0.000 2.424 478 Q HA 0.225 4.547 4.340 -0.030 0.000 0.204 478 Q C 0.568 176.598 176.000 0.051 0.000 0.933 478 Q CA 0.391 56.221 55.803 0.046 0.000 0.929 478 Q CB 0.302 29.067 28.738 0.044 0.000 1.037 478 Q HN 0.468 nan 8.270 nan 0.000 0.511 479 M N -0.227 119.416 119.600 0.072 0.000 2.537 479 M HA 0.446 4.908 4.480 -0.030 0.000 0.324 479 M C 0.342 176.705 176.300 0.104 0.000 1.187 479 M CA -0.355 55.001 55.300 0.094 0.000 0.993 479 M CB 1.789 34.465 32.600 0.127 0.000 1.666 479 M HN -0.086 nan 8.290 nan 0.000 0.461 480 E N 0.001 120.286 120.200 0.142 0.000 2.396 480 E HA 0.379 4.711 4.350 -0.030 0.000 0.251 480 E C 0.321 176.991 176.600 0.116 0.000 0.949 480 E CA -0.410 56.062 56.400 0.119 0.000 0.834 480 E CB 0.871 30.635 29.700 0.107 0.000 1.309 480 E HN 0.734 nan 8.360 nan 0.000 0.405 481 T N 0.235 114.820 114.554 0.051 0.000 3.043 481 T HA 0.031 4.363 4.350 -0.030 0.000 0.263 481 T C -0.915 173.777 174.700 -0.012 0.000 1.094 481 T CA 1.371 63.487 62.100 0.027 0.000 1.127 481 T CB -0.430 68.444 68.868 0.009 0.000 0.905 481 T HN 0.451 nan 8.240 nan 0.000 0.490 482 P HA -0.030 nan 4.420 nan 0.000 0.219 482 P C 0.297 177.420 177.300 -0.294 0.000 1.150 482 P CA 0.922 63.875 63.100 -0.246 0.000 0.814 482 P CB -0.078 31.360 31.700 -0.436 0.000 0.787 483 H N 0.015 119.064 119.070 -0.035 0.000 2.547 483 H HA 0.338 4.878 4.556 -0.027 0.000 0.362 483 H C 0.370 175.666 175.328 -0.054 0.000 1.181 483 H CA 0.388 56.348 56.048 -0.147 0.000 1.376 483 H CB 0.467 30.166 29.762 -0.105 0.000 1.488 483 H HN 0.195 nan 8.280 nan 0.000 0.583 484 Y N -1.959 118.341 120.300 -0.000 0.000 2.981 484 Y HA 0.465 4.996 4.550 -0.033 0.000 0.359 484 Y C -1.698 174.076 175.900 -0.211 0.000 1.359 484 Y CA -1.129 56.956 58.100 -0.025 0.000 1.105 484 Y CB 1.124 39.591 38.460 0.012 0.000 1.840 484 Y HN 0.671 nan 8.280 nan 0.000 0.426 485 H N -0.719 118.634 119.070 0.472 0.000 3.029 485 H HA 0.747 5.285 4.556 -0.029 0.000 0.358 485 H C -1.937 173.572 175.328 0.303 0.000 1.129 485 H CA -0.956 55.273 56.048 0.302 0.000 1.230 485 H CB 2.493 32.351 29.762 0.160 0.000 1.827 485 H HN 0.655 nan 8.280 nan 0.000 0.530 486 V N 4.695 124.844 119.914 0.392 0.000 2.398 486 V HA 0.280 4.382 4.120 -0.030 0.000 0.282 486 V C -0.983 175.191 176.094 0.133 0.000 1.014 486 V CA -0.498 61.936 62.300 0.224 0.000 0.838 486 V CB 1.015 32.937 31.823 0.166 0.000 1.018 486 V HN 0.401 nan 8.190 nan 0.000 0.432 487 L N 4.450 125.712 121.223 0.065 0.000 2.325 487 L HA 0.850 5.172 4.340 -0.030 0.000 0.278 487 L C 0.582 177.383 176.870 -0.115 0.000 1.023 487 L CA -0.085 54.711 54.840 -0.074 0.000 0.811 487 L CB 1.616 43.523 42.059 -0.253 0.000 1.249 487 L HN 0.724 nan 8.230 nan 0.000 0.431 488 R N 2.199 122.625 120.500 -0.123 0.000 2.346 488 R HA 0.786 5.108 4.340 -0.030 0.000 0.311 488 R C -1.092 175.117 176.300 -0.150 0.000 0.983 488 R CA -0.557 55.474 56.100 -0.115 0.000 0.880 488 R CB 1.010 31.273 30.300 -0.061 0.000 1.100 488 R HN 0.434 nan 8.270 nan 0.000 0.453 489 V N 2.852 122.667 119.914 -0.165 0.000 2.313 489 V HA 0.658 4.760 4.120 -0.030 0.000 0.278 489 V C 0.973 177.025 176.094 -0.070 0.000 1.017 489 V CA -0.772 61.446 62.300 -0.137 0.000 0.823 489 V CB 0.723 32.428 31.823 -0.195 0.000 1.010 489 V HN 1.193 nan 8.190 nan 0.000 0.443 490 R N 2.709 123.181 120.500 -0.047 0.000 2.738 490 R HA 0.381 4.703 4.340 -0.030 0.000 0.268 490 R C 0.401 176.690 176.300 -0.017 0.000 1.062 490 R CA -0.459 55.624 56.100 -0.028 0.000 1.158 490 R CB -0.102 30.184 30.300 -0.023 0.000 1.046 490 R HN 0.565 nan 8.270 nan 0.000 0.493 491 K N 0.710 121.103 120.400 -0.011 0.000 2.430 491 K HA 0.369 4.671 4.320 -0.030 0.000 0.280 491 K C 1.531 178.130 176.600 -0.003 0.000 1.063 491 K CA 0.822 57.106 56.287 -0.005 0.000 1.071 491 K CB 0.175 32.673 32.500 -0.003 0.000 0.899 491 K HN 1.739 nan 8.250 nan 0.000 0.473 492 G N 2.143 110.943 108.800 0.001 0.000 2.307 492 G HA2 -0.251 3.691 3.960 -0.030 0.000 0.210 492 G HA3 -0.251 3.691 3.960 -0.030 0.000 0.210 492 G C 0.525 175.428 174.900 0.005 0.000 1.005 492 G CA 0.126 45.228 45.100 0.003 0.000 0.634 492 G HN 0.701 nan 8.290 nan 0.000 0.496 493 E N 0.833 121.035 120.200 0.004 0.000 2.451 493 E HA 0.560 4.892 4.350 -0.030 0.000 0.194 493 E C 0.541 177.153 176.600 0.021 0.000 1.027 493 E CA 0.536 56.941 56.400 0.009 0.000 0.914 493 E CB 0.029 29.732 29.700 0.004 0.000 1.054 493 E HN 0.725 nan 8.360 nan 0.000 0.461 494 E N 1.428 121.642 120.200 0.023 0.000 2.331 494 E HA 0.261 4.593 4.350 -0.030 0.000 0.272 494 E C 0.128 176.750 176.600 0.037 0.000 1.036 494 E CA -0.112 56.314 56.400 0.043 0.000 0.864 494 E CB 0.648 30.375 29.700 0.046 0.000 1.035 494 E HN 0.341 nan 8.360 nan 0.000 0.408 495 T N -1.094 113.487 114.554 0.044 0.000 2.948 495 T HA 0.679 5.011 4.350 -0.030 0.000 0.285 495 T C -1.828 172.873 174.700 0.001 0.000 1.019 495 T CA -1.136 60.973 62.100 0.015 0.000 1.013 495 T CB 1.642 70.511 68.868 0.002 0.000 1.117 495 T HN 0.348 nan 8.240 nan 0.000 0.533 496 P HA 0.207 nan 4.420 nan 0.000 0.253 496 P C -0.142 177.119 177.300 -0.065 0.000 1.459 496 P CA -0.335 62.746 63.100 -0.031 0.000 0.908 496 P CB -0.668 31.016 31.700 -0.026 0.000 1.470 497 T N 1.324 115.829 114.554 -0.083 0.000 2.940 497 T HA 0.119 4.451 4.350 -0.030 0.000 0.309 497 T C 0.745 175.328 174.700 -0.196 0.000 1.056 497 T CA 0.034 62.048 62.100 -0.143 0.000 1.137 497 T CB 0.530 69.301 68.868 -0.161 0.000 0.976 497 T HN 0.019 nan 8.240 nan 0.000 0.547 498 L N 2.714 123.768 121.223 -0.283 0.000 2.439 498 L HA 0.103 4.425 4.340 -0.030 0.000 0.269 498 L C 2.151 178.765 176.870 -0.427 0.000 1.179 498 L CA -0.398 54.208 54.840 -0.389 0.000 0.828 498 L CB 0.533 42.202 42.059 -0.650 0.000 1.106 498 L HN 0.927 nan 8.230 nan 0.000 0.467 499 S N 2.119 117.646 115.700 -0.288 0.000 2.381 499 S HA -0.314 4.138 4.470 -0.030 0.000 0.230 499 S C 1.621 176.126 174.600 -0.158 0.000 1.052 499 S CA 2.053 60.139 58.200 -0.190 0.000 1.068 499 S CB -0.853 62.320 63.200 -0.044 0.000 0.918 499 S HN 0.735 nan 8.310 nan 0.000 0.448 500 Y N -0.849 119.410 120.300 -0.069 0.000 2.544 500 Y HA 0.500 5.031 4.550 -0.031 0.000 0.286 500 Y C 1.896 177.764 175.900 -0.054 0.000 1.141 500 Y CA -0.121 57.950 58.100 -0.049 0.000 1.299 500 Y CB -0.274 38.168 38.460 -0.029 0.000 1.030 500 Y HN 0.128 nan 8.280 nan 0.000 0.543 501 M N 0.525 119.878 119.600 -0.410 0.000 2.431 501 M HA 0.217 4.679 4.480 -0.030 0.000 0.237 501 M C 1.089 177.265 176.300 -0.207 0.000 1.130 501 M CA 0.239 55.386 55.300 -0.255 0.000 1.002 501 M CB -0.347 32.042 32.600 -0.352 0.000 1.524 501 M HN 0.503 nan 8.290 nan 0.000 0.482 502 L N 0.159 121.247 121.223 -0.225 0.000 2.095 502 L HA -0.051 4.271 4.340 -0.030 0.000 0.204 502 L C -0.460 176.291 176.870 -0.200 0.000 1.080 502 L CA 1.019 55.683 54.840 -0.293 0.000 0.759 502 L CB -1.934 39.907 42.059 -0.364 0.000 0.914 502 L HN 0.146 nan 8.230 nan 0.000 0.439 503 P HA -0.254 nan 4.420 nan 0.000 0.216 503 P C 1.631 178.935 177.300 0.007 0.000 1.154 503 P CA 2.360 65.471 63.100 0.018 0.000 0.865 503 P CB -0.040 31.689 31.700 0.048 0.000 0.789 504 K N -0.198 120.190 120.400 -0.021 0.000 2.026 504 K HA -0.084 4.217 4.320 -0.030 0.000 0.208 504 K C 2.425 179.003 176.600 -0.036 0.000 1.048 504 K CA 2.266 58.542 56.287 -0.019 0.000 0.929 504 K CB -2.106 30.382 32.500 -0.021 0.000 0.713 504 K HN 0.149 nan 8.250 nan 0.000 0.439 505 L N 0.599 121.761 121.223 -0.103 0.000 2.013 505 L HA -0.186 4.136 4.340 -0.030 0.000 0.212 505 L C 2.575 179.431 176.870 -0.022 0.000 1.073 505 L CA 2.781 57.548 54.840 -0.122 0.000 0.753 505 L CB -1.791 40.113 42.059 -0.259 0.000 0.890 505 L HN 0.794 nan 8.230 nan 0.000 0.432 506 H N -0.278 118.787 119.070 -0.008 0.000 2.547 506 H HA 0.275 4.813 4.556 -0.031 0.000 0.266 506 H C 2.295 177.592 175.328 -0.051 0.000 0.988 506 H CA 0.816 56.847 56.048 -0.028 0.000 1.147 506 H CB -0.693 29.051 29.762 -0.031 0.000 1.365 506 H HN 0.799 nan 8.280 nan 0.000 0.589 507 E N 1.642 121.883 120.200 0.070 0.000 2.333 507 E HA -0.154 4.178 4.350 -0.030 0.000 0.200 507 E C 0.726 177.339 176.600 0.022 0.000 1.010 507 E CA 1.089 57.508 56.400 0.030 0.000 0.841 507 E CB -0.283 29.428 29.700 0.018 0.000 0.757 507 E HN 0.680 nan 8.360 nan 0.000 0.508 508 E N 0.000 120.223 120.200 0.038 0.000 2.725 508 E HA 0.000 4.332 4.350 -0.030 0.000 0.291 508 E CA 0.000 56.415 56.400 0.025 0.000 0.976 508 E CB 0.000 29.715 29.700 0.025 0.000 0.812 508 E HN 0.000 nan 8.360 nan 0.000 0.440