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 3ihp_1_B DATA FIRST_RESID 1 DATA SEQUENCE MAELSEEALL SVLPTIRVPK AGDRVHKDEC AFSFDTPESE GGLYICMNTF DATA SEQUENCE LGFGKQYVER HFNKTGQRVY LHLRRTXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXDEDV KIVILPDYLE IARDGLGGLP DIVRDRVTSA DATA SEQUENCE VEALLSXXXX XXXXXXXXXX XXVRQVSKHA FSLKQLDNPA RIPPcGWKCS DATA SEQUENCE KCDMRENLWL NLTDGSILCG RRYFDGSGGN NHAVEHYRET GYPLAVKLGT DATA SEQUENCE ITPDGADVYS YDEDDMVLDP SLAEHLSHFG IDMXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXPLKPL FGPGYTGIRN LGNSCYLNSV VQVLFSIPDF DATA SEQUENCE QRKYVDKLEK IFQNAPTDPT QDFSTQVAKL GHGLLSGEXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX GIAPRMFKAL IGKGHPEFST NRQQDAQEFF LHLINMVERN DATA SEQUENCE CRSSENPNEV FRFLVEEKIK CLATEKVKYT QRVDYIMQLP VPMDAALNKE DATA SEQUENCE ELLEYEEKKR QAEEEKMALP ELVRAQVPFS SCLEAYGAPE QVDDFWSTAL DATA SEQUENCE QAKSVAVKTT RFASFPDYLV IQIKKFTFGL DWVPKKLDVS IEMPEELDIS DATA SEQUENCE QLRGTGLQPG EEELPDIXXX XXXXXXXXXX XLDESVIIQL VEMGFPMDAC DATA SEQUENCE RKAVYYTGNS GAEAAMNWVM SHMDDPDFAN PLILXXXXXX XXXXXXXDPP DATA SEQUENCE PEDCVTTIVS MGFSRDQALK ALRATNNSLE RAVDWIFSHI DDLDAEAAMD DATA SEQUENCE XXXXXXXXXX XXXXXXXGPK VRDGPGKYQL FAFISHMGTS TMcGHYVCHI DATA SEQUENCE KKEGRWVIYN DQKVCASEKP PKDLGYIYFY QRVAS 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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 A N 2.829 125.654 122.820 0.008 0.000 2.293 2 A HA 0.629 4.949 4.320 -0.000 0.000 0.302 2 A C -0.268 177.322 177.584 0.009 0.000 1.119 2 A CA -0.498 51.545 52.037 0.009 0.000 0.823 2 A CB 0.616 19.621 19.000 0.009 0.000 1.097 2 A HN 0.789 nan 8.150 nan 0.000 0.491 3 E N 1.691 121.897 120.200 0.010 0.000 2.161 3 E HA 0.169 4.519 4.350 -0.000 0.000 0.263 3 E C -0.524 176.082 176.600 0.011 0.000 1.185 3 E CA -0.083 56.323 56.400 0.010 0.000 0.938 3 E CB -0.122 29.584 29.700 0.010 0.000 1.023 3 E HN 0.555 nan 8.360 nan 0.000 0.433 4 L N 3.497 124.727 121.223 0.011 0.000 2.529 4 L HA -0.110 4.230 4.340 -0.000 0.000 0.287 4 L C 1.610 178.487 176.870 0.012 0.000 1.241 4 L CA 0.047 54.893 54.840 0.011 0.000 0.857 4 L CB 0.692 42.757 42.059 0.011 0.000 1.113 4 L HN 0.646 nan 8.230 nan 0.000 0.504 5 S N 0.807 116.515 115.700 0.014 0.000 2.368 5 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 5 S C 1.681 176.291 174.600 0.016 0.000 1.029 5 S CA 1.382 59.591 58.200 0.016 0.000 0.988 5 S CB -0.144 63.067 63.200 0.019 0.000 0.838 5 S HN 0.790 nan 8.310 nan 0.000 0.462 6 E N 2.013 122.222 120.200 0.015 0.000 2.070 6 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 6 E C 1.656 178.264 176.600 0.013 0.000 1.004 6 E CA 1.392 57.800 56.400 0.014 0.000 0.805 6 E CB -0.693 29.014 29.700 0.013 0.000 0.744 6 E HN 0.608 nan 8.360 nan 0.000 0.451 7 E N 1.386 121.593 120.200 0.012 0.000 2.049 7 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 7 E C 2.202 178.810 176.600 0.013 0.000 1.007 7 E CA 1.582 57.989 56.400 0.012 0.000 0.809 7 E CB -0.282 29.425 29.700 0.011 0.000 0.749 7 E HN 0.424 nan 8.360 nan 0.000 0.450 8 A N 0.629 123.456 122.820 0.012 0.000 2.019 8 A HA -0.149 4.170 4.320 -0.000 0.000 0.219 8 A C 2.092 179.684 177.584 0.013 0.000 1.164 8 A CA 0.991 53.036 52.037 0.012 0.000 0.644 8 A CB -0.332 18.673 19.000 0.009 0.000 0.805 8 A HN 0.194 nan 8.150 nan 0.000 0.449 9 L N -0.530 120.702 121.223 0.015 0.000 2.071 9 L HA 0.083 4.423 4.340 -0.000 0.000 0.201 9 L C 2.268 179.148 176.870 0.016 0.000 1.076 9 L CA 1.353 56.203 54.840 0.017 0.000 0.755 9 L CB -0.486 41.585 42.059 0.020 0.000 0.915 9 L HN 0.367 nan 8.230 nan 0.000 0.445 10 L N -0.288 120.944 121.223 0.015 0.000 2.089 10 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 10 L C 2.588 179.466 176.870 0.013 0.000 1.079 10 L CA 1.678 56.526 54.840 0.014 0.000 0.758 10 L CB -1.039 41.028 42.059 0.013 0.000 0.891 10 L HN 0.541 nan 8.230 nan 0.000 0.433 11 S N -0.669 115.039 115.700 0.013 0.000 2.481 11 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 11 S C 1.557 176.165 174.600 0.013 0.000 0.996 11 S CA 0.738 58.946 58.200 0.013 0.000 0.942 11 S CB -0.266 62.942 63.200 0.014 0.000 0.768 11 S HN 0.373 nan 8.310 nan 0.000 0.520 12 V N -2.055 117.866 119.914 0.013 0.000 3.578 12 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 12 V C 1.785 177.884 176.094 0.009 0.000 1.376 12 V CA 0.057 62.363 62.300 0.010 0.000 1.083 12 V CB -0.444 31.384 31.823 0.007 0.000 0.911 12 V HN 0.310 nan 8.190 nan 0.000 0.433 13 L N 1.570 122.801 121.223 0.013 0.000 2.081 13 L HA -0.000 4.339 4.340 -0.000 0.000 0.212 13 L C -0.110 176.770 176.870 0.017 0.000 1.080 13 L CA 2.592 57.442 54.840 0.017 0.000 0.754 13 L CB -1.312 40.758 42.059 0.018 0.000 0.893 13 L HN 0.315 nan 8.230 nan 0.000 0.433 14 P HA -0.097 nan 4.420 nan 0.000 0.222 14 P C 1.169 178.474 177.300 0.008 0.000 1.147 14 P CA 1.641 64.748 63.100 0.011 0.000 0.790 14 P CB -0.302 31.402 31.700 0.007 0.000 0.780 15 T N -4.228 110.328 114.554 0.003 0.000 3.144 15 T HA 0.188 4.537 4.350 -0.000 0.000 0.249 15 T C 0.577 175.278 174.700 0.002 0.000 1.089 15 T CA -0.082 62.013 62.100 -0.009 0.000 0.989 15 T CB -0.831 68.023 68.868 -0.023 0.000 0.992 15 T HN -0.031 nan 8.240 nan 0.000 0.540 16 I N 2.802 123.388 120.570 0.027 0.000 2.287 16 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 16 I C 0.605 176.782 176.117 0.100 0.000 1.069 16 I CA -0.732 60.608 61.300 0.067 0.000 1.237 16 I CB 0.533 38.570 38.000 0.062 0.000 1.418 16 I HN 0.005 nan 8.210 nan 0.000 0.481 17 R N 4.178 124.767 120.500 0.149 0.000 2.560 17 R HA 0.532 4.872 4.340 -0.000 0.000 0.270 17 R C -0.575 175.940 176.300 0.358 0.000 1.074 17 R CA -0.657 55.578 56.100 0.226 0.000 1.140 17 R CB 2.155 32.557 30.300 0.170 0.000 1.073 17 R HN 0.372 nan 8.270 nan 0.000 0.527 18 V N 3.469 123.542 119.914 0.265 0.000 2.350 18 V HA 0.334 4.454 4.120 -0.000 0.000 0.285 18 V C -2.389 173.736 176.094 0.052 0.000 1.014 18 V CA -2.494 59.873 62.300 0.112 0.000 0.831 18 V CB 1.637 33.492 31.823 0.054 0.000 1.000 18 V HN 0.581 nan 8.190 nan 0.000 0.433 19 P HA 0.226 nan 4.420 nan 0.000 0.264 19 P C -0.691 176.541 177.300 -0.113 0.000 1.193 19 P CA 0.314 63.208 63.100 -0.342 0.000 0.763 19 P CB 0.379 31.662 31.700 -0.694 0.000 0.810 20 K N 1.581 121.969 120.400 -0.019 0.000 2.267 20 K HA 0.572 4.892 4.320 -0.000 0.000 0.236 20 K C 1.475 178.066 176.600 -0.016 0.000 1.030 20 K CA -0.626 55.658 56.287 -0.005 0.000 0.930 20 K CB 0.572 33.090 32.500 0.031 0.000 1.182 20 K HN 0.237 nan 8.250 nan 0.000 0.474 21 A N 0.567 123.381 122.820 -0.009 0.000 1.917 21 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 21 A C 2.002 179.585 177.584 -0.002 0.000 1.182 21 A CA 2.341 54.371 52.037 -0.011 0.000 0.633 21 A CB -1.424 17.573 19.000 -0.005 0.000 0.819 21 A HN 0.878 nan 8.150 nan 0.000 0.448 22 G N -0.833 107.976 108.800 0.016 0.000 2.509 22 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 22 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 22 G C 0.257 175.179 174.900 0.038 0.000 1.124 22 G CA 0.427 45.543 45.100 0.027 0.000 0.776 22 G HN 0.473 nan 8.290 nan 0.000 0.547 23 D N 0.828 121.255 120.400 0.046 0.000 2.351 23 D HA 0.439 5.079 4.640 -0.000 0.000 0.251 23 D C 0.749 177.084 176.300 0.058 0.000 1.137 23 D CA 0.000 54.059 54.000 0.097 0.000 0.879 23 D CB 0.888 41.784 40.800 0.161 0.000 1.181 23 D HN 0.230 nan 8.370 nan 0.000 0.448 24 R N 1.427 121.983 120.500 0.093 0.000 2.248 24 R HA 0.386 4.726 4.340 -0.000 0.000 0.328 24 R C -0.473 175.853 176.300 0.043 0.000 1.067 24 R CA -0.605 55.496 56.100 0.001 0.000 0.924 24 R CB 0.599 30.890 30.300 -0.014 0.000 1.013 24 R HN 0.336 nan 8.270 nan 0.000 0.454 25 V N 5.021 124.884 119.914 -0.084 0.000 2.350 25 V HA 0.318 4.437 4.120 -0.000 0.000 0.285 25 V C -0.411 175.619 176.094 -0.107 0.000 1.014 25 V CA -0.687 61.600 62.300 -0.022 0.000 0.831 25 V CB 1.270 33.025 31.823 -0.113 0.000 1.000 25 V HN 0.975 nan 8.190 nan 0.000 0.433 26 H N 6.666 125.748 119.070 0.019 0.000 2.855 26 H HA 0.210 4.766 4.556 -0.000 0.000 0.238 26 H C 0.675 175.977 175.328 -0.042 0.000 1.847 26 H CA -0.131 55.894 56.048 -0.039 0.000 1.368 26 H CB 0.404 30.104 29.762 -0.103 0.000 1.758 26 H HN 0.762 nan 8.280 nan 0.000 0.546 27 K N -0.447 119.970 120.400 0.029 0.000 2.418 27 K HA 0.005 4.324 4.320 -0.000 0.000 0.195 27 K C 1.585 178.188 176.600 0.005 0.000 1.035 27 K CA 0.917 57.212 56.287 0.013 0.000 1.003 27 K CB 0.434 32.926 32.500 -0.012 0.000 0.793 27 K HN 0.403 nan 8.250 nan 0.000 0.494 28 D N 1.582 121.989 120.400 0.012 0.000 2.338 28 D HA 0.040 4.680 4.640 -0.000 0.000 0.208 28 D C 0.136 176.452 176.300 0.026 0.000 0.997 28 D CA 0.186 54.194 54.000 0.013 0.000 0.880 28 D CB 0.259 41.065 40.800 0.010 0.000 0.980 28 D HN 0.309 nan 8.370 nan 0.000 0.509 29 E N -1.351 118.864 120.200 0.025 0.000 2.354 29 E HA 0.384 4.734 4.350 -0.000 0.000 0.283 29 E C -1.352 175.205 176.600 -0.073 0.000 0.938 29 E CA -0.724 55.680 56.400 0.007 0.000 0.777 29 E CB 2.222 31.941 29.700 0.033 0.000 1.222 29 E HN 0.345 nan 8.360 nan 0.000 0.423 30 C N 3.717 122.961 119.300 -0.093 0.000 2.642 30 C HA 0.368 4.827 4.460 -0.000 0.000 0.420 30 C C 1.890 176.665 174.990 -0.359 0.000 1.349 30 C CA 0.635 59.541 59.018 -0.186 0.000 1.821 30 C CB -0.553 27.142 27.740 -0.076 0.000 2.637 30 C HN 0.846 nan 8.230 nan 0.000 0.605 31 A N 4.096 126.579 122.820 -0.562 0.000 1.972 31 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 31 A C 1.531 178.658 177.584 -0.761 0.000 1.169 31 A CA 1.658 53.268 52.037 -0.711 0.000 0.635 31 A CB -0.461 17.975 19.000 -0.941 0.000 0.810 31 A HN 0.907 nan 8.150 nan 0.000 0.446 32 F N -0.395 119.198 119.950 -0.596 0.000 2.656 32 F HA 0.172 4.699 4.527 -0.000 0.000 0.291 32 F C 1.420 176.694 175.800 -0.876 0.000 1.122 32 F CA 0.771 58.215 58.000 -0.927 0.000 1.427 32 F CB 0.244 38.492 39.000 -1.253 0.000 1.125 32 F HN 0.276 nan 8.300 nan 0.000 0.583 33 S N -2.091 113.253 115.700 -0.593 0.000 2.794 33 S HA 0.382 4.852 4.470 -0.000 0.000 0.299 33 S C -0.216 174.139 174.600 -0.408 0.000 1.179 33 S CA -0.644 57.276 58.200 -0.468 0.000 0.838 33 S CB 0.423 63.451 63.200 -0.288 0.000 1.206 33 S HN -0.024 nan 8.310 nan 0.000 0.523 34 F N 1.121 121.083 119.950 0.021 0.000 2.731 34 F HA 0.298 4.825 4.527 -0.000 0.000 0.304 34 F C 0.343 176.168 175.800 0.043 0.000 1.133 34 F CA -0.469 57.545 58.000 0.025 0.000 1.380 34 F CB -0.211 38.808 39.000 0.031 0.000 1.079 34 F HN 0.419 nan 8.300 nan 0.000 0.550 35 D N 0.421 120.926 120.400 0.174 0.000 2.419 35 D HA 0.154 4.794 4.640 -0.000 0.000 0.236 35 D C 0.347 176.711 176.300 0.106 0.000 1.165 35 D CA 0.853 54.947 54.000 0.157 0.000 0.882 35 D CB 0.787 41.701 40.800 0.190 0.000 1.201 35 D HN -0.051 nan 8.370 nan 0.000 0.443 36 T N 0.729 115.336 114.554 0.088 0.000 2.868 36 T HA 0.296 4.646 4.350 -0.000 0.000 0.306 36 T C -2.007 172.706 174.700 0.023 0.000 1.224 36 T CA -1.207 60.924 62.100 0.052 0.000 1.012 36 T CB 1.975 70.877 68.868 0.057 0.000 1.221 36 T HN -0.002 nan 8.240 nan 0.000 0.499 37 P HA -0.103 nan 4.420 nan 0.000 0.218 37 P C 0.877 178.159 177.300 -0.030 0.000 1.146 37 P CA 1.226 64.294 63.100 -0.054 0.000 0.820 37 P CB 0.197 31.862 31.700 -0.058 0.000 0.778 38 E N -1.062 119.138 120.200 -0.001 0.000 2.482 38 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 38 E C 0.322 176.937 176.600 0.024 0.000 1.047 38 E CA 0.145 56.550 56.400 0.009 0.000 0.869 38 E CB -0.132 29.576 29.700 0.014 0.000 0.836 38 E HN 0.301 nan 8.360 nan 0.000 0.520 39 S N 2.295 118.018 115.700 0.037 0.000 2.585 39 S HA 0.015 4.484 4.470 -0.000 0.000 0.273 39 S C 0.286 174.918 174.600 0.054 0.000 1.339 39 S CA -0.673 57.562 58.200 0.058 0.000 1.028 39 S CB 0.773 64.026 63.200 0.089 0.000 0.906 39 S HN 0.202 nan 8.310 nan 0.000 0.528 40 E N 0.775 121.010 120.200 0.058 0.000 2.414 40 E HA 0.256 4.606 4.350 -0.000 0.000 0.263 40 E C 1.001 177.652 176.600 0.086 0.000 1.000 40 E CA 0.543 56.979 56.400 0.060 0.000 0.914 40 E CB 0.055 29.784 29.700 0.048 0.000 0.948 40 E HN 0.939 nan 8.360 nan 0.000 0.444 41 G N 2.355 111.218 108.800 0.105 0.000 2.284 41 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.230 41 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.230 41 G C 0.899 175.922 174.900 0.205 0.000 1.021 41 G CA 0.533 45.735 45.100 0.169 0.000 0.619 41 G HN 1.681 nan 8.290 nan 0.000 0.510 42 G N -0.720 108.125 108.800 0.075 0.000 2.601 42 G HA2 0.147 4.107 3.960 -0.000 0.000 0.252 42 G HA3 0.147 4.107 3.960 -0.000 0.000 0.252 42 G C -0.388 174.450 174.900 -0.102 0.000 1.294 42 G CA 0.432 45.465 45.100 -0.111 0.000 0.912 42 G HN 1.752 nan 8.290 nan 0.000 0.574 43 L N -0.889 120.134 121.223 -0.334 0.000 2.436 43 L HA 0.731 5.071 4.340 -0.000 0.000 0.268 43 L C -1.096 175.663 176.870 -0.184 0.000 0.974 43 L CA -0.841 53.938 54.840 -0.103 0.000 0.826 43 L CB 1.935 43.969 42.059 -0.042 0.000 1.291 43 L HN 0.600 nan 8.230 nan 0.000 0.406 44 Y N 5.246 125.637 120.300 0.153 0.000 2.341 44 Y HA 0.545 5.095 4.550 -0.000 0.000 0.340 44 Y C 0.053 176.151 175.900 0.330 0.000 0.997 44 Y CA -0.351 57.902 58.100 0.256 0.000 1.149 44 Y CB 1.054 39.600 38.460 0.143 0.000 1.171 44 Y HN 0.346 nan 8.280 nan 0.000 0.494 45 I N 3.493 124.338 120.570 0.458 0.000 2.336 45 I HA 0.164 4.333 4.170 -0.000 0.000 0.292 45 I C -0.074 176.351 176.117 0.513 0.000 0.991 45 I CA -0.724 60.815 61.300 0.400 0.000 1.227 45 I CB 1.001 39.144 38.000 0.238 0.000 1.366 45 I HN 0.631 nan 8.210 nan 0.000 0.466 46 C N 7.411 126.996 119.300 0.476 0.000 2.651 46 C HA 0.117 4.576 4.460 -0.000 0.000 0.410 46 C C 1.609 176.718 174.990 0.198 0.000 1.372 46 C CA -0.269 58.901 59.018 0.254 0.000 1.707 46 C CB -0.507 27.398 27.740 0.274 0.000 2.501 46 C HN 0.855 nan 8.230 nan 0.000 0.598 47 M N 4.590 124.237 119.600 0.079 0.000 2.628 47 M HA 0.016 4.496 4.480 -0.000 0.000 0.232 47 M C 1.429 177.819 176.300 0.150 0.000 1.128 47 M CA 0.564 55.979 55.300 0.193 0.000 1.040 47 M CB -0.570 32.096 32.600 0.110 0.000 1.608 47 M HN 0.866 nan 8.290 nan 0.000 0.507 48 N N 0.047 118.727 118.700 -0.032 0.000 2.571 48 N HA -0.041 4.699 4.740 -0.000 0.000 0.195 48 N C 1.629 176.784 175.510 -0.592 0.000 1.040 48 N CA 1.483 54.416 53.050 -0.195 0.000 0.890 48 N CB 0.300 38.733 38.487 -0.091 0.000 1.233 48 N HN 0.202 nan 8.380 nan 0.000 0.435 49 T N -3.294 111.019 114.554 -0.401 0.000 3.014 49 T HA 0.186 4.536 4.350 -0.000 0.000 0.250 49 T C -0.060 174.369 174.700 -0.452 0.000 1.060 49 T CA 0.088 61.924 62.100 -0.440 0.000 1.040 49 T CB -0.165 68.677 68.868 -0.043 0.000 0.971 49 T HN 0.115 nan 8.240 nan 0.000 0.497 50 F N -0.371 119.640 119.950 0.101 0.000 2.926 50 F HA -0.123 4.404 4.527 -0.000 0.000 0.288 50 F C 0.063 175.916 175.800 0.087 0.000 0.756 50 F CA -0.893 57.160 58.000 0.088 0.000 1.292 50 F CB -2.720 36.321 39.000 0.068 0.000 1.482 50 F HN 0.264 nan 8.300 nan 0.000 0.400 51 L N 0.037 121.337 121.223 0.127 0.000 2.375 51 L HA 0.693 5.033 4.340 -0.000 0.000 0.271 51 L C 1.172 177.903 176.870 -0.232 0.000 1.107 51 L CA 0.071 54.828 54.840 -0.139 0.000 0.806 51 L CB 1.046 42.902 42.059 -0.339 0.000 1.146 51 L HN 0.249 nan 8.230 nan 0.000 0.447 52 G N 1.328 109.883 108.800 -0.408 0.000 2.417 52 G HA2 0.714 4.674 3.960 -0.000 0.000 0.334 52 G HA3 0.714 4.674 3.960 -0.000 0.000 0.334 52 G C -1.349 173.138 174.900 -0.687 0.000 1.150 52 G CA -0.254 44.677 45.100 -0.282 0.000 0.923 52 G HN 0.310 nan 8.290 nan 0.000 0.485 53 F N -0.411 119.616 119.950 0.127 0.000 2.608 53 F HA 0.561 5.088 4.527 -0.000 0.000 0.309 53 F C 0.771 176.730 175.800 0.265 0.000 1.103 53 F CA -0.756 57.342 58.000 0.163 0.000 0.954 53 F CB 2.030 41.119 39.000 0.148 0.000 1.267 53 F HN 0.761 nan 8.300 nan 0.000 0.444 54 G N 0.367 109.455 108.800 0.480 0.000 2.634 54 G HA2 0.416 4.376 3.960 -0.000 0.000 0.255 54 G HA3 0.416 4.376 3.960 -0.000 0.000 0.255 54 G C 0.821 176.000 174.900 0.465 0.000 1.205 54 G CA 0.048 45.426 45.100 0.463 0.000 0.884 54 G HN 0.920 nan 8.290 nan 0.000 0.549 55 K N -0.478 120.163 120.400 0.401 0.000 2.059 55 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 55 K C 2.072 178.685 176.600 0.022 0.000 1.050 55 K CA 2.119 58.583 56.287 0.295 0.000 0.927 55 K CB -0.778 31.861 32.500 0.232 0.000 0.714 55 K HN 0.514 nan 8.250 nan 0.000 0.447 56 Q N -1.350 118.393 119.800 -0.095 0.000 2.373 56 Q HA 0.104 4.444 4.340 -0.000 0.000 0.206 56 Q C 0.170 175.709 176.000 -0.767 0.000 0.942 56 Q CA 0.612 56.140 55.803 -0.458 0.000 0.953 56 Q CB 0.083 28.465 28.738 -0.594 0.000 1.022 56 Q HN 0.869 nan 8.270 nan 0.000 0.502 57 Y N -2.535 117.740 120.300 -0.042 0.000 2.476 57 Y HA 0.036 4.586 4.550 -0.000 0.000 0.261 57 Y C 1.883 177.646 175.900 -0.227 0.000 1.077 57 Y CA -0.180 57.848 58.100 -0.120 0.000 1.240 57 Y CB 0.264 38.745 38.460 0.035 0.000 1.317 57 Y HN -0.130 nan 8.280 nan 0.000 0.540 58 V N -0.073 119.745 119.914 -0.159 0.000 2.343 58 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 58 V C 2.000 177.882 176.094 -0.354 0.000 1.051 58 V CA 2.279 64.307 62.300 -0.454 0.000 1.036 58 V CB -0.509 30.822 31.823 -0.821 0.000 0.654 58 V HN 0.315 nan 8.190 nan 0.000 0.451 59 E N -0.081 119.988 120.200 -0.219 0.000 2.153 59 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 59 E C 2.416 178.999 176.600 -0.028 0.000 0.988 59 E CA 0.991 57.363 56.400 -0.047 0.000 0.811 59 E CB -0.085 29.598 29.700 -0.028 0.000 0.746 59 E HN 0.486 nan 8.360 nan 0.000 0.466 60 R N -0.499 119.913 120.500 -0.147 0.000 2.080 60 R HA -0.178 4.161 4.340 -0.000 0.000 0.236 60 R C 2.523 178.753 176.300 -0.118 0.000 1.137 60 R CA 1.856 57.852 56.100 -0.175 0.000 0.943 60 R CB -0.318 29.764 30.300 -0.364 0.000 0.846 60 R HN 0.336 nan 8.270 nan 0.000 0.431 61 H N -0.884 117.989 119.070 -0.329 0.000 2.321 61 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 61 H C 1.989 177.286 175.328 -0.053 0.000 1.087 61 H CA 2.027 57.916 56.048 -0.264 0.000 1.319 61 H CB -0.129 29.216 29.762 -0.695 0.000 1.379 61 H HN 0.207 nan 8.280 nan 0.000 0.501 62 F N 1.932 121.835 119.950 -0.078 0.000 2.091 62 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 62 F C 2.033 177.774 175.800 -0.098 0.000 1.103 62 F CA 2.157 60.128 58.000 -0.048 0.000 1.228 62 F CB -0.774 38.193 39.000 -0.054 0.000 0.984 62 F HN 0.173 nan 8.300 nan 0.000 0.477 63 N N -0.049 118.461 118.700 -0.316 0.000 2.120 63 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 63 N C 1.746 177.079 175.510 -0.295 0.000 1.024 63 N CA 1.555 54.377 53.050 -0.380 0.000 0.852 63 N CB -0.179 38.206 38.487 -0.169 0.000 1.003 63 N HN 0.311 nan 8.380 nan 0.000 0.424 64 K N -0.607 119.669 120.400 -0.207 0.000 2.103 64 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 64 K C 1.683 178.167 176.600 -0.192 0.000 1.052 64 K CA 1.030 57.226 56.287 -0.151 0.000 0.945 64 K CB 0.114 32.571 32.500 -0.071 0.000 0.722 64 K HN 0.031 nan 8.250 nan 0.000 0.443 65 T N -2.045 112.340 114.554 -0.282 0.000 2.959 65 T HA 0.157 4.507 4.350 -0.000 0.000 0.254 65 T C 0.806 175.359 174.700 -0.246 0.000 1.003 65 T CA 0.691 62.619 62.100 -0.287 0.000 0.950 65 T CB 0.550 69.129 68.868 -0.482 0.000 1.090 65 T HN 0.439 nan 8.240 nan 0.000 0.503 66 G N 1.805 110.431 108.800 -0.290 0.000 2.159 66 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.256 66 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.256 66 G C 0.011 174.886 174.900 -0.041 0.000 0.977 66 G CA 0.502 45.454 45.100 -0.246 0.000 0.652 66 G HN 0.675 nan 8.290 nan 0.000 0.531 67 Q N 0.263 120.066 119.800 0.004 0.000 2.313 67 Q HA 0.630 4.970 4.340 -0.000 0.000 0.266 67 Q C 1.478 177.629 176.000 0.252 0.000 0.989 67 Q CA 0.241 56.083 55.803 0.065 0.000 0.890 67 Q CB 0.444 29.197 28.738 0.026 0.000 1.200 67 Q HN 0.507 nan 8.270 nan 0.000 0.396 68 R N 2.310 122.872 120.500 0.103 0.000 2.167 68 R HA 0.200 4.540 4.340 -0.000 0.000 0.201 68 R C -0.024 176.257 176.300 -0.031 0.000 1.024 68 R CA 0.587 56.754 56.100 0.111 0.000 1.053 68 R CB 0.418 30.768 30.300 0.084 0.000 0.987 68 R HN 0.515 nan 8.270 nan 0.000 0.493 69 V N 0.189 119.983 119.914 -0.200 0.000 2.509 69 V HA 0.356 4.476 4.120 -0.000 0.000 0.284 69 V C -0.825 175.017 176.094 -0.419 0.000 1.047 69 V CA -0.718 61.491 62.300 -0.152 0.000 0.952 69 V CB 0.449 32.238 31.823 -0.057 0.000 0.988 69 V HN 0.019 nan 8.190 nan 0.000 0.469 70 Y N 3.076 123.474 120.300 0.163 0.000 2.457 70 Y HA 0.589 5.138 4.550 -0.000 0.000 0.343 70 Y C -0.399 175.634 175.900 0.221 0.000 0.994 70 Y CA -0.944 57.303 58.100 0.244 0.000 1.031 70 Y CB 2.095 40.779 38.460 0.373 0.000 1.246 70 Y HN 0.652 nan 8.280 nan 0.000 0.449 71 L N 4.761 126.171 121.223 0.311 0.000 2.313 71 L HA 0.269 4.609 4.340 -0.000 0.000 0.282 71 L C -0.296 176.709 176.870 0.224 0.000 1.092 71 L CA 0.082 55.055 54.840 0.222 0.000 0.831 71 L CB -0.025 42.120 42.059 0.143 0.000 1.159 71 L HN 0.655 nan 8.230 nan 0.000 0.442 72 H N 5.883 124.987 119.070 0.058 0.000 2.552 72 H HA 0.356 4.912 4.556 -0.000 0.000 0.311 72 H C -1.371 173.904 175.328 -0.087 0.000 1.071 72 H CA -0.706 55.276 56.048 -0.110 0.000 1.307 72 H CB 1.224 30.844 29.762 -0.237 0.000 1.416 72 H HN 0.525 nan 8.280 nan 0.000 0.464 73 L N 5.448 126.380 121.223 -0.485 0.000 2.317 73 L HA 0.436 4.776 4.340 -0.000 0.000 0.281 73 L C 0.140 176.735 176.870 -0.460 0.000 1.024 73 L CA -0.311 54.330 54.840 -0.331 0.000 0.810 73 L CB 1.552 43.507 42.059 -0.172 0.000 1.240 73 L HN 0.562 nan 8.230 nan 0.000 0.427 74 R N 3.001 123.368 120.500 -0.222 0.000 2.532 74 R HA 0.588 4.928 4.340 -0.000 0.000 0.297 74 R C -1.082 175.184 176.300 -0.057 0.000 0.984 74 R CA -0.695 55.329 56.100 -0.126 0.000 0.884 74 R CB 1.298 31.582 30.300 -0.026 0.000 1.182 74 R HN 0.591 nan 8.270 nan 0.000 0.442 75 R N 1.766 122.241 120.500 -0.041 0.000 2.589 75 R HA 0.510 4.850 4.340 -0.000 0.000 0.293 75 R C -0.718 175.578 176.300 -0.007 0.000 0.963 75 R CA -0.591 55.496 56.100 -0.021 0.000 0.905 75 R CB 2.374 32.662 30.300 -0.020 0.000 1.144 75 R HN 0.733 nan 8.270 nan 0.000 0.459 118 E N 1.414 121.611 120.200 -0.005 0.000 2.174 118 E HA 0.462 4.812 4.350 -0.000 0.000 0.282 118 E C -1.157 175.441 176.600 -0.003 0.000 0.992 118 E CA -0.647 55.748 56.400 -0.010 0.000 0.803 118 E CB 1.682 31.372 29.700 -0.016 0.000 1.090 118 E HN 0.150 nan 8.360 nan 0.000 0.396 119 D N 3.778 124.177 120.400 -0.001 0.000 2.391 119 D HA 0.311 4.951 4.640 -0.000 0.000 0.245 119 D C -1.366 174.947 176.300 0.022 0.000 1.069 119 D CA -0.845 53.164 54.000 0.015 0.000 0.831 119 D CB 1.853 42.667 40.800 0.024 0.000 1.204 119 D HN 0.354 nan 8.370 nan 0.000 0.503 120 V N 2.542 122.476 119.914 0.032 0.000 2.588 120 V HA 0.775 4.895 4.120 -0.000 0.000 0.304 120 V C -1.279 174.858 176.094 0.071 0.000 1.042 120 V CA -0.666 61.662 62.300 0.046 0.000 0.877 120 V CB 1.568 33.406 31.823 0.024 0.000 0.996 120 V HN 0.703 nan 8.190 nan 0.000 0.425 121 K N 5.208 125.674 120.400 0.110 0.000 2.480 121 K HA 0.659 4.979 4.320 -0.000 0.000 0.258 121 K C -1.407 175.268 176.600 0.125 0.000 0.990 121 K CA -0.910 55.436 56.287 0.099 0.000 0.857 121 K CB 2.846 35.392 32.500 0.078 0.000 1.384 121 K HN 0.697 nan 8.250 nan 0.000 0.446 122 I N 1.639 122.272 120.570 0.105 0.000 2.359 122 I HA 0.272 4.442 4.170 -0.000 0.000 0.294 122 I C -0.670 175.525 176.117 0.130 0.000 0.987 122 I CA -1.102 60.273 61.300 0.124 0.000 1.225 122 I CB 1.839 39.892 38.000 0.090 0.000 1.366 122 I HN 0.252 nan 8.210 nan 0.000 0.466 123 V N 7.220 127.248 119.914 0.190 0.000 2.735 123 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 123 V C -0.231 175.954 176.094 0.152 0.000 1.061 123 V CA -0.600 61.809 62.300 0.181 0.000 0.913 123 V CB 2.279 34.266 31.823 0.273 0.000 1.005 123 V HN 0.456 nan 8.190 nan 0.000 0.428 124 I N 4.735 125.328 120.570 0.038 0.000 2.411 124 I HA 0.372 4.542 4.170 -0.000 0.000 0.284 124 I C -0.857 175.134 176.117 -0.209 0.000 1.012 124 I CA -0.557 60.725 61.300 -0.030 0.000 1.119 124 I CB 1.664 39.656 38.000 -0.014 0.000 1.261 124 I HN 0.358 nan 8.210 nan 0.000 0.448 125 L N 9.088 130.104 121.223 -0.345 0.000 2.439 125 L HA 0.353 4.693 4.340 -0.000 0.000 0.261 125 L C -1.382 175.129 176.870 -0.597 0.000 1.153 125 L CA -1.147 53.241 54.840 -0.753 0.000 0.808 125 L CB 0.171 41.515 42.059 -1.191 0.000 1.126 125 L HN 0.380 nan 8.230 nan 0.000 0.460 126 P HA 0.060 nan 4.420 nan 0.000 0.261 126 P C -0.012 177.133 177.300 -0.259 0.000 1.268 126 P CA 0.329 63.063 63.100 -0.610 0.000 0.833 126 P CB 0.524 32.049 31.700 -0.291 0.000 1.231 127 D N -0.778 119.529 120.400 -0.155 0.000 2.340 127 D HA 0.002 4.642 4.640 -0.000 0.000 0.220 127 D C -0.058 176.318 176.300 0.126 0.000 1.039 127 D CA -0.003 54.005 54.000 0.013 0.000 0.866 127 D CB -0.574 40.230 40.800 0.006 0.000 0.913 127 D HN 0.116 nan 8.370 nan 0.000 0.523 128 Y N -0.307 119.936 120.300 -0.095 0.000 3.001 128 Y HA -0.237 4.313 4.550 -0.000 0.000 0.187 128 Y C -0.099 175.786 175.900 -0.024 0.000 1.462 128 Y CA -0.398 57.668 58.100 -0.056 0.000 0.936 128 Y CB -1.585 36.838 38.460 -0.062 0.000 1.337 128 Y HN 0.015 nan 8.280 nan 0.000 0.428 129 L N 2.218 123.475 121.223 0.057 0.000 2.290 129 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 129 L C 0.331 177.236 176.870 0.058 0.000 1.078 129 L CA -0.295 54.574 54.840 0.049 0.000 0.815 129 L CB 0.791 42.863 42.059 0.021 0.000 1.162 129 L HN 0.207 nan 8.230 nan 0.000 0.435 130 E N 5.961 126.194 120.200 0.054 0.000 2.134 130 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 130 E C -0.962 175.663 176.600 0.042 0.000 0.959 130 E CA -0.319 56.112 56.400 0.050 0.000 0.783 130 E CB 1.783 31.504 29.700 0.036 0.000 1.095 130 E HN 0.460 nan 8.360 nan 0.000 0.399 131 I N 2.055 122.653 120.570 0.047 0.000 2.509 131 I HA 0.419 4.589 4.170 -0.000 0.000 0.293 131 I C 0.096 176.239 176.117 0.042 0.000 1.020 131 I CA -0.937 60.387 61.300 0.040 0.000 1.088 131 I CB 1.882 39.906 38.000 0.040 0.000 1.267 131 I HN 0.502 nan 8.210 nan 0.000 0.430 132 A N 5.409 128.250 122.820 0.034 0.000 2.332 132 A HA 0.391 4.711 4.320 -0.000 0.000 0.258 132 A C 1.222 178.826 177.584 0.033 0.000 1.087 132 A CA -0.222 51.835 52.037 0.033 0.000 0.802 132 A CB 0.382 19.397 19.000 0.026 0.000 1.042 132 A HN 0.888 nan 8.150 nan 0.000 0.489 133 R N 0.189 120.709 120.500 0.032 0.000 2.103 133 R HA -0.162 4.178 4.340 -0.000 0.000 0.242 133 R C 0.190 176.503 176.300 0.023 0.000 1.142 133 R CA 1.875 57.992 56.100 0.028 0.000 0.960 133 R CB -0.180 30.134 30.300 0.024 0.000 0.858 133 R HN 0.883 nan 8.270 nan 0.000 0.439 134 D N -1.285 119.127 120.400 0.020 0.000 2.427 134 D HA 0.050 4.689 4.640 -0.000 0.000 0.224 134 D C 0.601 176.911 176.300 0.016 0.000 1.157 134 D CA 0.022 54.032 54.000 0.016 0.000 0.828 134 D CB 0.352 41.160 40.800 0.014 0.000 0.974 134 D HN 0.194 nan 8.370 nan 0.000 0.498 135 G N 0.355 109.166 108.800 0.019 0.000 3.959 135 G HA2 0.268 4.228 3.960 -0.000 0.000 0.298 135 G HA3 0.268 4.228 3.960 -0.000 0.000 0.298 135 G C 0.288 175.199 174.900 0.018 0.000 1.211 135 G CA -0.310 44.801 45.100 0.018 0.000 1.001 135 G HN 0.127 nan 8.290 nan 0.000 0.561 136 L N 0.935 122.168 121.223 0.017 0.000 2.818 136 L HA 0.316 4.655 4.340 -0.000 0.000 0.243 136 L C 2.262 179.140 176.870 0.014 0.000 1.185 136 L CA -0.194 54.657 54.840 0.017 0.000 0.988 136 L CB 0.310 42.380 42.059 0.018 0.000 1.292 136 L HN 0.226 nan 8.230 nan 0.000 0.519 137 G N 0.021 108.829 108.800 0.013 0.000 2.440 137 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 137 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 137 G C 1.423 176.329 174.900 0.011 0.000 1.154 137 G CA 0.791 45.898 45.100 0.011 0.000 0.767 137 G HN 0.494 nan 8.290 nan 0.000 0.552 138 G N -0.324 108.482 108.800 0.011 0.000 2.985 138 G HA2 0.371 4.331 3.960 -0.000 0.000 0.209 138 G HA3 0.371 4.331 3.960 -0.000 0.000 0.209 138 G C 0.589 175.495 174.900 0.010 0.000 1.165 138 G CA -0.398 44.709 45.100 0.010 0.000 0.776 138 G HN 0.361 nan 8.290 nan 0.000 0.541 139 L N 0.551 121.781 121.223 0.011 0.000 2.421 139 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 139 L C -2.037 174.839 176.870 0.011 0.000 1.122 139 L CA -2.119 52.728 54.840 0.012 0.000 0.804 139 L CB 0.883 42.950 42.059 0.014 0.000 1.150 139 L HN -0.152 nan 8.230 nan 0.000 0.457 140 P HA -0.024 nan 4.420 nan 0.000 0.264 140 P C 0.007 177.313 177.300 0.011 0.000 1.183 140 P CA -0.011 63.095 63.100 0.010 0.000 0.763 140 P CB 0.477 32.183 31.700 0.010 0.000 0.807 141 D N 1.833 122.239 120.400 0.010 0.000 2.158 141 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 141 D C 1.644 177.951 176.300 0.011 0.000 0.995 141 D CA 1.291 55.297 54.000 0.010 0.000 0.846 141 D CB -0.132 40.673 40.800 0.009 0.000 0.941 141 D HN 0.348 nan 8.370 nan 0.000 0.456 142 I N 0.482 121.059 120.570 0.011 0.000 2.264 142 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 142 I C 2.205 178.330 176.117 0.014 0.000 1.111 142 I CA 1.095 62.403 61.300 0.012 0.000 1.382 142 I CB -0.188 37.819 38.000 0.012 0.000 1.060 142 I HN -0.061 nan 8.210 nan 0.000 0.418 143 V N 0.539 120.462 119.914 0.015 0.000 2.649 143 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 143 V C 2.576 178.680 176.094 0.018 0.000 1.054 143 V CA 1.323 63.634 62.300 0.017 0.000 1.073 143 V CB -0.611 31.222 31.823 0.017 0.000 0.699 143 V HN 0.451 nan 8.190 nan 0.000 0.463 144 R N 0.230 120.740 120.500 0.016 0.000 2.094 144 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 144 R C 2.115 178.424 176.300 0.016 0.000 1.137 144 R CA 2.292 58.401 56.100 0.016 0.000 0.943 144 R CB -0.664 29.644 30.300 0.013 0.000 0.850 144 R HN 0.531 nan 8.270 nan 0.000 0.433 145 D N -0.191 120.218 120.400 0.014 0.000 2.123 145 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 145 D C 1.979 178.289 176.300 0.016 0.000 0.992 145 D CA 0.913 54.921 54.000 0.013 0.000 0.833 145 D CB -0.185 40.622 40.800 0.012 0.000 0.954 145 D HN 0.033 nan 8.370 nan 0.000 0.455 146 R N 0.710 121.221 120.500 0.019 0.000 2.066 146 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 146 R C 2.272 178.588 176.300 0.027 0.000 1.131 146 R CA 0.573 56.688 56.100 0.024 0.000 0.955 146 R CB -0.766 29.549 30.300 0.025 0.000 0.851 146 R HN 0.128 nan 8.270 nan 0.000 0.432 147 V N 0.729 120.659 119.914 0.027 0.000 2.295 147 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 147 V C 2.479 178.588 176.094 0.026 0.000 1.049 147 V CA 2.390 64.708 62.300 0.030 0.000 1.024 147 V CB -0.974 30.867 31.823 0.030 0.000 0.648 147 V HN 0.551 nan 8.190 nan 0.000 0.447 148 T N -2.853 111.713 114.554 0.020 0.000 2.904 148 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 148 T C 1.979 176.684 174.700 0.008 0.000 1.059 148 T CA 1.451 63.560 62.100 0.014 0.000 1.137 148 T CB -0.389 68.486 68.868 0.012 0.000 0.879 148 T HN 0.372 nan 8.240 nan 0.000 0.467 149 S N 2.009 117.715 115.700 0.009 0.000 2.359 149 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 149 S C 2.614 177.211 174.600 -0.006 0.000 1.035 149 S CA 1.191 59.393 58.200 0.002 0.000 1.018 149 S CB -0.846 62.359 63.200 0.008 0.000 0.876 149 S HN 0.775 nan 8.310 nan 0.000 0.448 150 A N 1.032 123.856 122.820 0.008 0.000 1.873 150 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 150 A C 2.356 179.931 177.584 -0.015 0.000 1.186 150 A CA 1.450 53.489 52.037 0.004 0.000 0.616 150 A CB -0.922 18.107 19.000 0.049 0.000 0.823 150 A HN 0.334 nan 8.150 nan 0.000 0.442 151 V N 0.293 120.211 119.914 0.005 0.000 2.287 151 V HA -0.306 3.813 4.120 -0.000 0.000 0.248 151 V C 2.422 178.505 176.094 -0.019 0.000 1.053 151 V CA 2.395 64.697 62.300 0.004 0.000 1.027 151 V CB -0.956 30.878 31.823 0.018 0.000 0.646 151 V HN 0.631 nan 8.190 nan 0.000 0.447 152 E N 0.099 120.287 120.200 -0.020 0.000 2.110 152 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 152 E C 2.314 178.885 176.600 -0.048 0.000 0.988 152 E CA 1.313 57.697 56.400 -0.027 0.000 0.804 152 E CB -0.309 29.380 29.700 -0.019 0.000 0.745 152 E HN 0.616 nan 8.360 nan 0.000 0.458 153 A N 1.026 123.806 122.820 -0.067 0.000 1.898 153 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 153 A C 2.161 179.658 177.584 -0.145 0.000 1.181 153 A CA 0.816 52.790 52.037 -0.105 0.000 0.620 153 A CB -0.542 18.383 19.000 -0.125 0.000 0.819 153 A HN 0.127 nan 8.150 nan 0.000 0.442 154 L N -0.627 120.506 121.223 -0.151 0.000 2.127 154 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 154 L C 1.709 178.523 176.870 -0.094 0.000 1.089 154 L CA 0.839 55.587 54.840 -0.153 0.000 0.757 154 L CB -0.333 41.671 42.059 -0.091 0.000 0.899 154 L HN 0.351 nan 8.230 nan 0.000 0.434 155 L N -1.301 119.883 121.223 -0.066 0.000 2.627 155 L HA 0.113 4.453 4.340 -0.000 0.000 0.232 155 L C 0.425 177.265 176.870 -0.050 0.000 1.150 155 L CA -0.244 54.568 54.840 -0.047 0.000 0.917 155 L CB -0.315 41.725 42.059 -0.030 0.000 1.104 155 L HN 0.146 nan 8.230 nan 0.000 0.445 174 R N 2.426 122.933 120.500 0.012 0.000 2.308 174 R HA 0.679 5.019 4.340 -0.000 0.000 0.305 174 R C 0.273 176.575 176.300 0.003 0.000 1.053 174 R CA -0.051 56.053 56.100 0.007 0.000 0.957 174 R CB 1.020 31.327 30.300 0.012 0.000 1.022 174 R HN 0.884 nan 8.270 nan 0.000 0.461 175 Q N 1.906 121.703 119.800 -0.005 0.000 2.382 175 Q HA 0.373 4.713 4.340 -0.000 0.000 0.229 175 Q C 0.357 176.349 176.000 -0.014 0.000 1.006 175 Q CA -0.586 55.214 55.803 -0.005 0.000 0.916 175 Q CB 0.519 29.251 28.738 -0.009 0.000 1.235 175 Q HN 0.650 nan 8.270 nan 0.000 0.512 176 V N -0.296 119.614 119.914 -0.007 0.000 2.614 176 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 176 V C 0.612 176.665 176.094 -0.068 0.000 1.049 176 V CA -0.243 62.037 62.300 -0.032 0.000 1.038 176 V CB 1.092 32.914 31.823 -0.002 0.000 0.980 176 V HN 1.019 nan 8.190 nan 0.000 0.481 177 S N 3.527 119.159 115.700 -0.112 0.000 2.558 177 S HA 0.329 4.799 4.470 -0.000 0.000 0.288 177 S C 1.391 175.897 174.600 -0.156 0.000 1.318 177 S CA 0.267 58.399 58.200 -0.113 0.000 1.056 177 S CB 0.782 63.928 63.200 -0.089 0.000 0.853 177 S HN 1.495 nan 8.310 nan 0.000 0.505 178 K N 3.030 123.325 120.400 -0.176 0.000 2.555 178 K HA -0.002 4.318 4.320 -0.000 0.000 0.193 178 K C 1.092 177.453 176.600 -0.398 0.000 1.032 178 K CA 1.330 57.454 56.287 -0.272 0.000 1.004 178 K CB -0.643 31.650 32.500 -0.345 0.000 0.804 178 K HN 0.877 nan 8.250 nan 0.000 0.496 179 H N -2.292 116.721 119.070 -0.094 0.000 3.058 179 H HA 0.358 4.913 4.556 -0.000 0.000 0.266 179 H C 2.184 177.429 175.328 -0.140 0.000 1.135 179 H CA 0.535 56.537 56.048 -0.075 0.000 1.174 179 H CB 0.714 30.443 29.762 -0.054 0.000 1.581 179 H HN 0.451 nan 8.280 nan 0.000 0.553 180 A N 0.777 123.459 122.820 -0.229 0.000 1.978 180 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 180 A C 1.423 178.815 177.584 -0.320 0.000 1.170 180 A CA 1.432 53.237 52.037 -0.388 0.000 0.636 180 A CB -0.617 17.904 19.000 -0.798 0.000 0.810 180 A HN 0.150 nan 8.150 nan 0.000 0.448 181 F N -0.311 119.703 119.950 0.106 0.000 2.678 181 F HA 0.085 4.612 4.527 -0.000 0.000 0.291 181 F C 2.474 178.319 175.800 0.074 0.000 1.123 181 F CA 0.714 58.760 58.000 0.078 0.000 1.395 181 F CB -0.306 38.714 39.000 0.033 0.000 1.121 181 F HN 0.239 nan 8.300 nan 0.000 0.592 182 S N -0.078 115.744 115.700 0.203 0.000 2.524 182 S HA 0.125 4.595 4.470 -0.000 0.000 0.216 182 S C 0.655 175.321 174.600 0.109 0.000 0.987 182 S CA -0.216 58.072 58.200 0.147 0.000 0.909 182 S CB -0.559 62.720 63.200 0.132 0.000 0.781 182 S HN 0.106 nan 8.310 nan 0.000 0.521 183 L N 3.077 124.353 121.223 0.090 0.000 2.615 183 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 183 L C 0.383 177.227 176.870 -0.043 0.000 1.237 183 L CA 0.734 55.571 54.840 -0.006 0.000 0.905 183 L CB -0.519 41.462 42.059 -0.130 0.000 1.149 183 L HN 0.390 nan 8.230 nan 0.000 0.499 184 K N 5.275 125.627 120.400 -0.081 0.000 2.172 184 K HA 0.517 4.837 4.320 -0.000 0.000 0.276 184 K C -0.363 176.109 176.600 -0.214 0.000 1.013 184 K CA -0.448 55.770 56.287 -0.114 0.000 0.913 184 K CB 0.572 33.018 32.500 -0.090 0.000 1.055 184 K HN 0.766 nan 8.250 nan 0.000 0.461 185 Q N 1.351 121.007 119.800 -0.240 0.000 2.337 185 Q HA 0.465 4.805 4.340 -0.000 0.000 0.266 185 Q C -0.553 175.338 176.000 -0.182 0.000 1.023 185 Q CA -0.814 54.787 55.803 -0.336 0.000 0.829 185 Q CB 1.834 30.128 28.738 -0.740 0.000 1.306 185 Q HN 0.641 nan 8.270 nan 0.000 0.449 186 L N 1.885 123.072 121.223 -0.061 0.000 2.439 186 L HA 0.170 4.510 4.340 -0.000 0.000 0.269 186 L C 0.333 177.290 176.870 0.146 0.000 1.179 186 L CA -0.403 54.459 54.840 0.037 0.000 0.828 186 L CB 0.270 42.358 42.059 0.049 0.000 1.106 186 L HN 0.520 nan 8.230 nan 0.000 0.467 187 D N 1.544 122.000 120.400 0.094 0.000 2.363 187 D HA -0.023 4.617 4.640 -0.000 0.000 0.240 187 D C 0.436 176.776 176.300 0.067 0.000 1.236 187 D CA 0.132 54.182 54.000 0.083 0.000 0.927 187 D CB 0.192 41.023 40.800 0.051 0.000 1.150 187 D HN 0.456 nan 8.370 nan 0.000 0.458 188 N N -0.188 118.528 118.700 0.027 0.000 2.725 188 N HA -0.113 4.627 4.740 -0.000 0.000 0.251 188 N C -2.279 173.251 175.510 0.033 0.000 1.031 188 N CA 0.287 53.348 53.050 0.018 0.000 0.720 188 N CB -1.473 37.035 38.487 0.034 0.000 0.930 188 N HN 0.349 nan 8.380 nan 0.000 0.543 189 P HA 0.293 nan 4.420 nan 0.000 0.271 189 P C -0.021 177.333 177.300 0.089 0.000 1.218 189 P CA -0.198 62.945 63.100 0.072 0.000 0.780 189 P CB 0.699 32.292 31.700 -0.178 0.000 0.901 190 A N 2.913 125.830 122.820 0.162 0.000 2.386 190 A HA 0.245 4.565 4.320 -0.000 0.000 0.248 190 A C 0.557 178.220 177.584 0.132 0.000 1.082 190 A CA -0.396 51.709 52.037 0.114 0.000 0.789 190 A CB 0.093 19.147 19.000 0.090 0.000 1.025 190 A HN 0.446 nan 8.150 nan 0.000 0.490 191 R N 0.663 121.219 120.500 0.093 0.000 2.248 191 R HA 0.295 4.635 4.340 -0.000 0.000 0.328 191 R C -0.576 175.798 176.300 0.123 0.000 1.067 191 R CA -0.275 55.886 56.100 0.102 0.000 0.924 191 R CB -0.089 30.252 30.300 0.069 0.000 1.013 191 R HN 0.542 nan 8.270 nan 0.000 0.454 192 I N 6.284 126.948 120.570 0.158 0.000 2.352 192 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 192 I C -1.679 174.588 176.117 0.250 0.000 1.036 192 I CA -2.563 58.851 61.300 0.190 0.000 1.336 192 I CB 1.167 39.242 38.000 0.126 0.000 1.407 192 I HN 0.501 nan 8.210 nan 0.000 0.497 193 P HA 0.164 nan 4.420 nan 0.000 0.270 193 P C -2.277 175.180 177.300 0.262 0.000 1.223 193 P CA -0.993 62.211 63.100 0.173 0.000 0.785 193 P CB -0.116 31.607 31.700 0.039 0.000 0.923 194 P HA 0.110 nan 4.420 nan 0.000 0.257 194 P C -0.484 176.561 177.300 -0.425 0.000 1.325 194 P CA 0.154 63.314 63.100 0.100 0.000 0.850 194 P CB -0.333 31.401 31.700 0.056 0.000 1.324 195 c N -6.133 111.837 118.600 -1.049 0.000 3.056 195 c HA 0.709 5.279 4.570 -0.000 0.000 0.336 195 c C 1.140 174.506 174.090 -1.207 0.000 1.356 195 c CA -0.052 55.328 56.329 -1.582 0.000 1.216 195 c CB 0.550 42.640 42.510 -0.700 0.000 1.391 195 c HN 0.349 nan 8.230 nan 0.000 0.445 196 G N -0.649 107.692 108.800 -0.766 0.000 2.148 196 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.254 196 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.254 196 G C 0.004 174.795 174.900 -0.182 0.000 0.981 196 G CA 0.668 45.557 45.100 -0.351 0.000 0.670 196 G HN 1.083 nan 8.290 nan 0.000 0.528 197 W N -0.018 121.274 121.300 -0.013 0.000 2.137 197 W HA 0.573 5.233 4.660 -0.000 0.000 0.344 197 W C 0.559 177.067 176.519 -0.018 0.000 1.286 197 W CA 0.443 57.776 57.345 -0.019 0.000 1.240 197 W CB 0.309 29.751 29.460 -0.031 0.000 1.141 197 W HN 0.771 nan 8.180 nan 0.000 0.579 198 K N 1.438 121.966 120.400 0.214 0.000 2.498 198 K HA 0.437 4.757 4.320 -0.000 0.000 0.254 198 K C -0.623 176.021 176.600 0.073 0.000 0.933 198 K CA -0.845 55.512 56.287 0.115 0.000 0.806 198 K CB 0.899 33.441 32.500 0.070 0.000 1.301 198 K HN 0.780 nan 8.250 nan 0.000 0.432 199 C N 2.357 121.688 119.300 0.051 0.000 2.419 199 C HA 0.135 4.594 4.460 -0.000 0.000 0.398 199 C C 2.193 177.162 174.990 -0.035 0.000 1.498 199 C CA 0.936 59.962 59.018 0.013 0.000 1.494 199 C CB -1.355 26.406 27.740 0.036 0.000 2.485 199 C HN 1.157 nan 8.230 nan 0.000 0.608 200 S N 4.106 119.768 115.700 -0.063 0.000 2.392 200 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 200 S C 2.010 176.530 174.600 -0.132 0.000 1.041 200 S CA 2.625 60.775 58.200 -0.083 0.000 1.026 200 S CB -0.236 62.903 63.200 -0.102 0.000 0.845 200 S HN 1.076 nan 8.310 nan 0.000 0.465 201 K N 0.764 121.018 120.400 -0.244 0.000 2.057 201 K HA 0.231 4.551 4.320 -0.000 0.000 0.209 201 K C 1.942 178.353 176.600 -0.315 0.000 1.028 201 K CA 0.890 56.932 56.287 -0.407 0.000 0.950 201 K CB -1.708 30.245 32.500 -0.912 0.000 0.784 201 K HN 0.807 nan 8.250 nan 0.000 0.448 202 C N -0.544 118.572 119.300 -0.308 0.000 2.614 202 C HA 0.633 5.093 4.460 -0.000 0.000 0.288 202 C C 1.842 176.831 174.990 -0.002 0.000 2.416 202 C CA 0.781 59.786 59.018 -0.022 0.000 1.848 202 C CB 0.619 28.468 27.740 0.180 0.000 1.922 202 C HN 0.722 nan 8.230 nan 0.000 0.512 203 D N -1.119 119.302 120.400 0.036 0.000 2.392 203 D HA 0.300 4.939 4.640 -0.000 0.000 0.206 203 D C 0.917 177.240 176.300 0.038 0.000 1.046 203 D CA 0.026 54.043 54.000 0.028 0.000 0.865 203 D CB -0.190 40.626 40.800 0.026 0.000 0.969 203 D HN 0.707 nan 8.370 nan 0.000 0.509 204 M N -0.216 119.417 119.600 0.054 0.000 2.235 204 M HA 0.334 4.814 4.480 -0.000 0.000 0.316 204 M C 1.941 178.278 176.300 0.062 0.000 1.035 204 M CA 1.094 56.429 55.300 0.058 0.000 1.084 204 M CB 1.101 33.745 32.600 0.074 0.000 1.529 204 M HN 0.308 nan 8.290 nan 0.000 0.440 205 R N 1.795 122.330 120.500 0.059 0.000 2.394 205 R HA 0.247 4.587 4.340 -0.000 0.000 0.220 205 R C 0.024 176.374 176.300 0.085 0.000 0.887 205 R CA 0.440 56.583 56.100 0.073 0.000 1.034 205 R CB 0.004 30.331 30.300 0.044 0.000 1.179 205 R HN 0.710 nan 8.270 nan 0.000 0.561 206 E N 0.657 120.892 120.200 0.060 0.000 2.244 206 E HA 0.315 4.665 4.350 -0.000 0.000 0.266 206 E C -0.812 175.801 176.600 0.023 0.000 0.914 206 E CA -1.327 55.099 56.400 0.043 0.000 0.794 206 E CB 1.570 31.290 29.700 0.034 0.000 1.210 206 E HN 0.287 nan 8.360 nan 0.000 0.414 207 N N 1.181 119.863 118.700 -0.030 0.000 2.814 207 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 207 N C -1.184 174.262 175.510 -0.107 0.000 1.089 207 N CA 0.295 53.301 53.050 -0.075 0.000 0.682 207 N CB -0.893 37.614 38.487 0.034 0.000 0.970 207 N HN 0.426 nan 8.380 nan 0.000 0.554 208 L N 0.435 121.538 121.223 -0.199 0.000 2.282 208 L HA 0.420 4.760 4.340 -0.000 0.000 0.288 208 L C 0.101 176.762 176.870 -0.348 0.000 1.033 208 L CA -0.686 54.066 54.840 -0.148 0.000 0.807 208 L CB 0.645 42.659 42.059 -0.076 0.000 1.209 208 L HN 0.040 nan 8.230 nan 0.000 0.423 209 W N 4.499 125.759 121.300 -0.067 0.000 2.391 209 W HA 0.485 5.145 4.660 -0.000 0.000 0.311 209 W C -0.384 176.076 176.519 -0.098 0.000 1.087 209 W CA -0.441 56.867 57.345 -0.062 0.000 1.209 209 W CB 1.358 30.835 29.460 0.027 0.000 1.273 209 W HN 0.223 nan 8.180 nan 0.000 0.482 210 L N 5.177 126.413 121.223 0.021 0.000 2.257 210 L HA 0.362 4.701 4.340 -0.000 0.000 0.290 210 L C 0.099 176.984 176.870 0.027 0.000 1.044 210 L CA -0.145 54.635 54.840 -0.100 0.000 0.810 210 L CB 0.308 42.189 42.059 -0.296 0.000 1.193 210 L HN 0.367 nan 8.230 nan 0.000 0.425 211 N N 4.807 123.534 118.700 0.045 0.000 2.458 211 N HA 0.095 4.835 4.740 -0.000 0.000 0.270 211 N C 0.800 176.365 175.510 0.093 0.000 1.102 211 N CA -0.065 53.078 53.050 0.155 0.000 0.967 211 N CB 1.090 39.740 38.487 0.271 0.000 1.078 211 N HN 0.818 nan 8.380 nan 0.000 0.471 212 L N 2.521 123.831 121.223 0.144 0.000 2.549 212 L HA -0.086 4.254 4.340 -0.000 0.000 0.229 212 L C 1.742 178.761 176.870 0.248 0.000 1.158 212 L CA 0.755 55.729 54.840 0.223 0.000 0.842 212 L CB -0.150 41.931 42.059 0.036 0.000 0.952 212 L HN 0.550 nan 8.230 nan 0.000 0.452 213 T N -1.061 113.564 114.554 0.118 0.000 2.953 213 T HA -0.050 4.300 4.350 -0.000 0.000 0.247 213 T C 1.231 175.941 174.700 0.017 0.000 1.029 213 T CA 1.239 63.277 62.100 -0.103 0.000 1.144 213 T CB 0.059 68.633 68.868 -0.489 0.000 0.870 213 T HN 0.465 nan 8.240 nan 0.000 0.446 214 D N -0.371 120.116 120.400 0.144 0.000 2.500 214 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 214 D C 1.277 177.709 176.300 0.219 0.000 1.140 214 D CA 0.549 54.677 54.000 0.213 0.000 0.830 214 D CB -0.387 40.570 40.800 0.262 0.000 1.055 214 D HN 0.393 nan 8.370 nan 0.000 0.512 215 G N 1.098 109.893 108.800 -0.009 0.000 2.198 215 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.257 215 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.257 215 G C 0.256 175.005 174.900 -0.252 0.000 1.042 215 G CA 0.446 45.233 45.100 -0.521 0.000 0.791 215 G HN 0.866 nan 8.290 nan 0.000 0.502 216 S N -0.965 114.659 115.700 -0.128 0.000 2.580 216 S HA 0.738 5.208 4.470 -0.000 0.000 0.274 216 S C 0.115 174.624 174.600 -0.153 0.000 1.329 216 S CA -0.548 57.567 58.200 -0.141 0.000 1.036 216 S CB 1.815 64.876 63.200 -0.232 0.000 0.919 216 S HN 0.637 nan 8.310 nan 0.000 0.515 217 I N 2.431 122.919 120.570 -0.137 0.000 2.406 217 I HA 0.560 4.730 4.170 -0.000 0.000 0.290 217 I C -0.584 175.502 176.117 -0.051 0.000 0.999 217 I CA -0.398 60.836 61.300 -0.110 0.000 1.124 217 I CB 1.368 39.289 38.000 -0.131 0.000 1.289 217 I HN 0.612 nan 8.210 nan 0.000 0.441 218 L N 5.299 126.538 121.223 0.027 0.000 2.582 218 L HA 0.508 4.848 4.340 -0.000 0.000 0.257 218 L C -0.522 176.464 176.870 0.193 0.000 0.974 218 L CA -0.887 54.002 54.840 0.081 0.000 0.851 218 L CB 1.985 44.082 42.059 0.063 0.000 1.424 218 L HN 0.681 nan 8.230 nan 0.000 0.412 219 C N -0.526 118.896 119.300 0.205 0.000 2.595 219 C HA 0.763 5.223 4.460 -0.000 0.000 0.384 219 C C 1.227 176.378 174.990 0.270 0.000 1.289 219 C CA -0.241 58.914 59.018 0.228 0.000 2.372 219 C CB 0.000 27.849 27.740 0.180 0.000 2.593 219 C HN 0.903 nan 8.230 nan 0.000 0.639 220 G N 0.862 109.846 108.800 0.306 0.000 2.485 220 G HA2 0.467 4.427 3.960 -0.000 0.000 0.260 220 G HA3 0.467 4.427 3.960 -0.000 0.000 0.260 220 G C -0.398 174.507 174.900 0.009 0.000 1.459 220 G CA -0.753 44.477 45.100 0.217 0.000 1.060 220 G HN 1.125 nan 8.290 nan 0.000 0.546 221 R N -0.627 119.805 120.500 -0.113 0.000 2.720 221 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 221 R C -0.601 175.491 176.300 -0.347 0.000 0.991 221 R CA -0.680 55.282 56.100 -0.230 0.000 1.010 221 R CB 1.334 31.451 30.300 -0.306 0.000 1.141 221 R HN 0.490 nan 8.270 nan 0.000 0.494 222 R N 1.673 121.952 120.500 -0.368 0.000 2.778 222 R HA 0.372 4.712 4.340 -0.000 0.000 0.277 222 R C -1.315 174.697 176.300 -0.480 0.000 0.977 222 R CA -0.559 55.322 56.100 -0.365 0.000 0.950 222 R CB 1.269 31.492 30.300 -0.129 0.000 1.165 222 R HN 0.546 nan 8.270 nan 0.000 0.474 223 Y N 0.972 121.273 120.300 0.001 0.000 2.621 223 Y HA 0.277 4.827 4.550 -0.000 0.000 0.334 223 Y C 0.448 176.360 175.900 0.020 0.000 1.074 223 Y CA -1.181 56.903 58.100 -0.026 0.000 1.149 223 Y CB 0.672 39.031 38.460 -0.167 0.000 1.302 223 Y HN 0.516 nan 8.280 nan 0.000 0.501 224 F N -0.142 119.908 119.950 0.167 0.000 2.778 224 F HA 0.175 4.702 4.527 -0.000 0.000 0.295 224 F C 0.667 176.516 175.800 0.081 0.000 1.262 224 F CA -0.256 57.798 58.000 0.090 0.000 1.429 224 F CB -0.384 38.651 39.000 0.058 0.000 1.072 224 F HN 0.559 nan 8.300 nan 0.000 0.514 225 D N -0.979 119.437 120.400 0.028 0.000 2.454 225 D HA 0.250 4.890 4.640 -0.000 0.000 0.214 225 D C 1.666 178.001 176.300 0.058 0.000 1.088 225 D CA 0.845 54.852 54.000 0.011 0.000 0.855 225 D CB 0.611 41.373 40.800 -0.063 0.000 1.025 225 D HN 0.449 nan 8.370 nan 0.000 0.502 226 G N 0.706 109.559 108.800 0.088 0.000 2.541 226 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.201 226 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.201 226 G C 0.230 175.174 174.900 0.074 0.000 1.026 226 G CA 0.088 45.231 45.100 0.073 0.000 0.687 226 G HN 0.318 nan 8.290 nan 0.000 0.492 227 S N 1.662 117.424 115.700 0.104 0.000 2.537 227 S HA 0.532 5.001 4.470 -0.000 0.000 0.286 227 S C 0.798 175.447 174.600 0.081 0.000 1.299 227 S CA 1.447 59.715 58.200 0.113 0.000 1.067 227 S CB 0.791 64.085 63.200 0.156 0.000 0.864 227 S HN 2.141 nan 8.310 nan 0.000 0.494 228 G N 1.921 110.750 108.800 0.048 0.000 2.316 228 G HA2 0.363 4.322 3.960 -0.000 0.000 0.349 228 G HA3 0.363 4.322 3.960 -0.000 0.000 0.349 228 G C -0.289 174.621 174.900 0.016 0.000 1.274 228 G CA -0.456 44.651 45.100 0.011 0.000 1.018 228 G HN 0.993 nan 8.290 nan 0.000 0.486 229 G N -1.310 107.499 108.800 0.015 0.000 2.857 229 G HA2 0.507 4.467 3.960 -0.000 0.000 0.217 229 G HA3 0.507 4.467 3.960 -0.000 0.000 0.217 229 G C 0.067 174.968 174.900 0.001 0.000 1.357 229 G CA 0.041 45.163 45.100 0.037 0.000 1.033 229 G HN 0.728 nan 8.290 nan 0.000 0.571 230 N N 0.675 119.384 118.700 0.016 0.000 2.376 230 N HA 0.161 4.901 4.740 -0.000 0.000 0.249 230 N C 0.252 175.628 175.510 -0.222 0.000 1.140 230 N CA -0.383 52.627 53.050 -0.068 0.000 0.870 230 N CB 0.276 38.754 38.487 -0.015 0.000 1.124 230 N HN 0.396 nan 8.380 nan 0.000 0.505 231 N N -0.647 117.974 118.700 -0.132 0.000 2.753 231 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 231 N C 0.324 175.752 175.510 -0.136 0.000 1.097 231 N CA 0.829 53.791 53.050 -0.146 0.000 0.786 231 N CB -1.240 37.146 38.487 -0.167 0.000 1.137 231 N HN 0.626 nan 8.380 nan 0.000 0.566 232 H N -0.781 118.300 119.070 0.020 0.000 2.448 232 H HA 0.253 4.809 4.556 -0.000 0.000 0.292 232 H C 1.948 177.297 175.328 0.034 0.000 1.035 232 H CA 1.411 57.472 56.048 0.022 0.000 1.349 232 H CB 0.258 30.033 29.762 0.021 0.000 1.425 232 H HN 0.405 nan 8.280 nan 0.000 0.539 233 A N 0.277 123.197 122.820 0.168 0.000 1.873 233 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 233 A C 2.434 180.006 177.584 -0.019 0.000 1.186 233 A CA 1.391 53.514 52.037 0.144 0.000 0.616 233 A CB -0.948 18.191 19.000 0.231 0.000 0.823 233 A HN 0.307 nan 8.150 nan 0.000 0.442 234 V N 0.035 119.912 119.914 -0.060 0.000 2.343 234 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 234 V C 2.412 178.431 176.094 -0.125 0.000 1.051 234 V CA 2.878 65.058 62.300 -0.201 0.000 1.036 234 V CB -0.417 31.401 31.823 -0.009 0.000 0.654 234 V HN 0.688 nan 8.190 nan 0.000 0.451 235 E N -0.739 119.435 120.200 -0.042 0.000 2.265 235 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 235 E C 1.948 178.532 176.600 -0.026 0.000 0.996 235 E CA 1.462 57.844 56.400 -0.029 0.000 0.832 235 E CB -0.283 29.420 29.700 0.005 0.000 0.756 235 E HN 0.880 nan 8.360 nan 0.000 0.491 236 H N -1.633 117.376 119.070 -0.101 0.000 2.436 236 H HA -0.062 4.494 4.556 -0.000 0.000 0.294 236 H C 1.626 176.831 175.328 -0.205 0.000 1.048 236 H CA 1.573 57.551 56.048 -0.116 0.000 1.353 236 H CB -0.211 29.524 29.762 -0.045 0.000 1.414 236 H HN 0.310 nan 8.280 nan 0.000 0.536 237 Y N 0.725 120.777 120.300 -0.412 0.000 2.163 237 Y HA -0.100 4.450 4.550 -0.000 0.000 0.288 237 Y C 2.461 178.120 175.900 -0.401 0.000 1.136 237 Y CA 1.453 59.242 58.100 -0.519 0.000 1.147 237 Y CB -0.346 37.584 38.460 -0.884 0.000 0.987 237 Y HN -0.019 nan 8.280 nan 0.000 0.509 238 R N 1.042 121.220 120.500 -0.537 0.000 2.103 238 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 238 R C 2.360 178.370 176.300 -0.482 0.000 1.142 238 R CA 2.127 57.922 56.100 -0.508 0.000 0.960 238 R CB -0.638 29.531 30.300 -0.218 0.000 0.858 238 R HN 0.689 nan 8.270 nan 0.000 0.439 239 E N -1.570 118.377 120.200 -0.421 0.000 2.158 239 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 239 E C 1.049 177.356 176.600 -0.489 0.000 0.982 239 E CA 1.534 57.710 56.400 -0.374 0.000 0.823 239 E CB 0.181 29.710 29.700 -0.285 0.000 0.766 239 E HN 0.538 nan 8.360 nan 0.000 0.468 240 T N -4.527 109.596 114.554 -0.718 0.000 3.000 240 T HA 0.299 4.649 4.350 -0.000 0.000 0.248 240 T C 1.552 175.734 174.700 -0.863 0.000 1.034 240 T CA 0.514 62.037 62.100 -0.962 0.000 1.060 240 T CB 0.714 68.575 68.868 -1.678 0.000 0.983 240 T HN 0.266 nan 8.240 nan 0.000 0.482 241 G N 1.090 109.445 108.800 -0.741 0.000 2.179 241 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 241 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 241 G C -0.253 174.610 174.900 -0.060 0.000 0.977 241 G CA 0.044 44.849 45.100 -0.490 0.000 0.641 241 G HN 0.597 nan 8.290 nan 0.000 0.533 242 Y N 0.450 120.736 120.300 -0.023 0.000 2.496 242 Y HA 0.374 4.924 4.550 -0.000 0.000 0.334 242 Y C -0.698 175.336 175.900 0.223 0.000 1.080 242 Y CA -2.060 56.080 58.100 0.066 0.000 1.355 242 Y CB 0.650 39.138 38.460 0.046 0.000 1.193 242 Y HN 0.072 nan 8.280 nan 0.000 0.523 243 P HA 0.045 nan 4.420 nan 0.000 0.224 243 P C -0.148 177.156 177.300 0.006 0.000 1.159 243 P CA 0.800 63.905 63.100 0.009 0.000 0.824 243 P CB 1.074 32.513 31.700 -0.435 0.000 0.833 244 L N -0.095 121.145 121.223 0.029 0.000 2.322 244 L HA 0.721 5.061 4.340 -0.000 0.000 0.279 244 L C 0.031 176.974 176.870 0.121 0.000 1.036 244 L CA -0.974 53.870 54.840 0.007 0.000 0.807 244 L CB 1.577 43.620 42.059 -0.027 0.000 1.226 244 L HN -0.095 nan 8.230 nan 0.000 0.433 245 A N 2.502 125.391 122.820 0.115 0.000 2.520 245 A HA 0.667 4.987 4.320 -0.000 0.000 0.298 245 A C -1.462 176.335 177.584 0.355 0.000 1.051 245 A CA -0.461 51.728 52.037 0.254 0.000 0.690 245 A CB 2.082 21.301 19.000 0.366 0.000 1.281 245 A HN 0.406 nan 8.150 nan 0.000 0.402 246 V N 1.789 121.869 119.914 0.276 0.000 2.547 246 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 246 V C 0.182 176.265 176.094 -0.019 0.000 1.040 246 V CA -0.751 61.656 62.300 0.178 0.000 0.913 246 V CB 1.540 33.402 31.823 0.064 0.000 0.992 246 V HN 0.893 nan 8.190 nan 0.000 0.449 247 K N 5.819 126.009 120.400 -0.350 0.000 2.338 247 K HA 0.360 4.680 4.320 -0.000 0.000 0.290 247 K C -0.526 175.765 176.600 -0.516 0.000 1.069 247 K CA -0.282 55.475 56.287 -0.882 0.000 0.941 247 K CB 0.241 32.078 32.500 -1.104 0.000 1.023 247 K HN 0.690 nan 8.250 nan 0.000 0.477 248 L N 3.992 124.886 121.223 -0.549 0.000 2.477 248 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 248 L C 1.290 178.002 176.870 -0.263 0.000 1.157 248 L CA 0.866 55.375 54.840 -0.552 0.000 0.889 248 L CB 0.588 42.091 42.059 -0.926 0.000 1.158 248 L HN 1.129 nan 8.230 nan 0.000 0.473 249 G N 1.602 110.363 108.800 -0.064 0.000 2.229 249 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.189 249 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.189 249 G C 0.585 175.478 174.900 -0.011 0.000 1.000 249 G CA 0.201 45.328 45.100 0.045 0.000 0.663 249 G HN 0.653 nan 8.290 nan 0.000 0.493 250 T N -1.242 113.273 114.554 -0.066 0.000 3.043 250 T HA 0.534 4.884 4.350 -0.000 0.000 0.272 250 T C 0.824 175.513 174.700 -0.019 0.000 0.990 250 T CA -0.084 61.987 62.100 -0.049 0.000 0.897 250 T CB 0.185 69.000 68.868 -0.088 0.000 1.111 250 T HN 0.360 nan 8.240 nan 0.000 0.529 251 I N 4.230 124.796 120.570 -0.007 0.000 2.436 251 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 251 I C 0.437 176.577 176.117 0.038 0.000 1.083 251 I CA 0.058 61.369 61.300 0.018 0.000 1.372 251 I CB 0.465 38.481 38.000 0.027 0.000 1.408 251 I HN 0.335 nan 8.210 nan 0.000 0.516 252 T N 3.172 117.744 114.554 0.030 0.000 2.900 252 T HA 0.396 4.746 4.350 -0.000 0.000 0.295 252 T C -1.982 172.734 174.700 0.026 0.000 1.044 252 T CA -2.039 60.078 62.100 0.028 0.000 0.995 252 T CB 2.080 70.961 68.868 0.021 0.000 1.072 252 T HN 0.140 nan 8.240 nan 0.000 0.473 253 P HA -0.224 nan 4.420 nan 0.000 0.222 253 P C 1.052 178.363 177.300 0.018 0.000 1.155 253 P CA 1.445 64.557 63.100 0.019 0.000 0.890 253 P CB 0.074 31.780 31.700 0.010 0.000 0.790 254 D N -1.268 119.142 120.400 0.016 0.000 2.075 254 D HA -0.001 4.639 4.640 -0.000 0.000 0.196 254 D C 1.484 177.797 176.300 0.021 0.000 0.985 254 D CA 1.846 55.855 54.000 0.016 0.000 0.834 254 D CB -0.303 40.505 40.800 0.014 0.000 0.987 254 D HN 0.244 nan 8.370 nan 0.000 0.452 255 G N -1.296 107.517 108.800 0.022 0.000 2.753 255 G HA2 0.635 4.595 3.960 -0.000 0.000 0.303 255 G HA3 0.635 4.595 3.960 -0.000 0.000 0.303 255 G C -1.755 173.161 174.900 0.027 0.000 1.242 255 G CA 0.227 45.343 45.100 0.026 0.000 0.810 255 G HN 0.416 nan 8.290 nan 0.000 0.515 256 A N -1.002 121.835 122.820 0.029 0.000 2.586 256 A HA 0.662 4.982 4.320 -0.000 0.000 0.290 256 A C -2.106 175.498 177.584 0.035 0.000 1.086 256 A CA -0.556 51.495 52.037 0.023 0.000 0.665 256 A CB 1.417 20.429 19.000 0.020 0.000 1.279 256 A HN 0.391 nan 8.150 nan 0.000 0.423 257 D N 1.083 121.499 120.400 0.026 0.000 2.316 257 D HA 0.471 5.111 4.640 -0.000 0.000 0.245 257 D C -0.689 175.700 176.300 0.149 0.000 1.171 257 D CA 0.425 54.469 54.000 0.074 0.000 0.856 257 D CB 1.397 42.229 40.800 0.053 0.000 1.090 257 D HN 0.231 nan 8.370 nan 0.000 0.476 258 V N 3.860 123.875 119.914 0.168 0.000 2.448 258 V HA 0.242 4.361 4.120 -0.000 0.000 0.295 258 V C -0.681 175.525 176.094 0.187 0.000 1.025 258 V CA -0.939 61.474 62.300 0.188 0.000 0.859 258 V CB 1.408 33.287 31.823 0.094 0.000 0.988 258 V HN 0.375 nan 8.190 nan 0.000 0.431 259 Y N 3.210 123.517 120.300 0.012 0.000 2.377 259 Y HA 0.602 5.152 4.550 -0.000 0.000 0.339 259 Y C 0.356 176.041 175.900 -0.359 0.000 1.011 259 Y CA -0.329 57.614 58.100 -0.260 0.000 1.093 259 Y CB 2.038 40.111 38.460 -0.646 0.000 1.201 259 Y HN 0.588 nan 8.280 nan 0.000 0.455 260 S N 5.448 120.548 115.700 -1.001 0.000 2.422 260 S HA 0.232 4.702 4.470 -0.000 0.000 0.308 260 S C 0.175 174.057 174.600 -1.197 0.000 1.097 260 S CA -0.437 57.284 58.200 -0.798 0.000 1.099 260 S CB 0.115 63.062 63.200 -0.422 0.000 0.976 260 S HN 0.751 nan 8.310 nan 0.000 0.471 261 Y N 3.083 122.908 120.300 -0.792 0.000 2.293 261 Y HA -0.048 4.502 4.550 -0.000 0.000 0.291 261 Y C 2.157 177.631 175.900 -0.709 0.000 1.137 261 Y CA 1.356 58.961 58.100 -0.825 0.000 1.202 261 Y CB -0.226 37.369 38.460 -1.442 0.000 0.990 261 Y HN 0.684 nan 8.280 nan 0.000 0.537 262 D N -0.243 119.930 120.400 -0.378 0.000 2.183 262 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 262 D C 1.283 177.558 176.300 -0.041 0.000 0.969 262 D CA 1.257 55.212 54.000 -0.075 0.000 0.842 262 D CB 0.126 40.968 40.800 0.070 0.000 0.957 262 D HN 0.417 nan 8.370 nan 0.000 0.484 263 E N -0.626 119.486 120.200 -0.146 0.000 2.511 263 E HA 0.049 4.399 4.350 -0.000 0.000 0.209 263 E C -0.280 176.223 176.600 -0.163 0.000 0.986 263 E CA 0.148 56.479 56.400 -0.116 0.000 0.974 263 E CB 0.639 30.275 29.700 -0.108 0.000 1.030 263 E HN 0.077 nan 8.360 nan 0.000 0.490 264 D N 1.837 122.071 120.400 -0.277 0.000 2.737 264 D HA -0.163 4.477 4.640 -0.000 0.000 0.238 264 D C -1.326 174.893 176.300 -0.134 0.000 1.157 264 D CA 0.889 54.781 54.000 -0.179 0.000 0.694 264 D CB -0.798 40.013 40.800 0.019 0.000 1.021 264 D HN 0.106 nan 8.370 nan 0.000 0.420 265 D N 0.002 120.175 120.400 -0.379 0.000 2.623 265 D HA 0.234 4.873 4.640 -0.000 0.000 0.241 265 D C 0.203 176.389 176.300 -0.190 0.000 1.241 265 D CA -0.636 53.277 54.000 -0.144 0.000 0.788 265 D CB 0.812 41.550 40.800 -0.104 0.000 1.413 265 D HN -0.041 nan 8.370 nan 0.000 0.429 266 M N 1.298 120.924 119.600 0.043 0.000 2.217 266 M HA 0.330 4.809 4.480 -0.000 0.000 0.354 266 M C 0.202 176.494 176.300 -0.013 0.000 1.225 266 M CA -0.425 54.916 55.300 0.068 0.000 1.137 266 M CB 0.429 33.101 32.600 0.121 0.000 1.576 266 M HN 0.288 nan 8.290 nan 0.000 0.461 267 V N 1.719 121.617 119.914 -0.026 0.000 3.160 267 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 267 V C -0.787 175.299 176.094 -0.013 0.000 1.181 267 V CA -1.206 61.069 62.300 -0.041 0.000 1.047 267 V CB 2.341 34.112 31.823 -0.087 0.000 1.068 267 V HN 0.730 nan 8.190 nan 0.000 0.441 268 L N 1.411 122.622 121.223 -0.021 0.000 2.317 268 L HA 0.647 4.987 4.340 -0.000 0.000 0.281 268 L C -0.992 175.854 176.870 -0.041 0.000 1.024 268 L CA -0.198 54.636 54.840 -0.010 0.000 0.810 268 L CB 1.622 43.683 42.059 0.003 0.000 1.240 268 L HN 0.840 nan 8.230 nan 0.000 0.427 269 D N 3.979 124.367 120.400 -0.020 0.000 2.464 269 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 269 D C -1.943 174.348 176.300 -0.016 0.000 1.104 269 D CA -1.963 52.010 54.000 -0.045 0.000 0.883 269 D CB 1.702 42.524 40.800 0.036 0.000 1.050 269 D HN 0.118 nan 8.370 nan 0.000 0.524 270 P HA 0.018 nan 4.420 nan 0.000 0.231 270 P C 0.375 177.716 177.300 0.068 0.000 1.158 270 P CA 0.521 63.670 63.100 0.082 0.000 0.763 270 P CB 0.415 32.249 31.700 0.223 0.000 0.805 271 S N -1.448 114.248 115.700 -0.006 0.000 2.568 271 S HA 0.113 4.583 4.470 -0.000 0.000 0.232 271 S C 1.324 175.790 174.600 -0.224 0.000 0.975 271 S CA -0.357 57.757 58.200 -0.144 0.000 0.949 271 S CB -0.503 62.532 63.200 -0.275 0.000 0.829 271 S HN 0.028 nan 8.310 nan 0.000 0.479 272 L N 2.971 124.173 121.223 -0.035 0.000 1.997 272 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 272 L C 2.399 179.296 176.870 0.045 0.000 1.074 272 L CA 2.283 57.158 54.840 0.059 0.000 0.763 272 L CB -1.002 41.101 42.059 0.073 0.000 0.890 272 L HN 0.339 nan 8.230 nan 0.000 0.434 273 A N -1.034 121.794 122.820 0.014 0.000 1.873 273 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 273 A C 2.176 179.771 177.584 0.018 0.000 1.193 273 A CA 1.985 54.037 52.037 0.025 0.000 0.629 273 A CB -0.730 18.278 19.000 0.014 0.000 0.826 273 A HN 0.563 nan 8.150 nan 0.000 0.447 274 E N -0.595 119.578 120.200 -0.046 0.000 2.153 274 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 274 E C 1.760 178.359 176.600 -0.002 0.000 0.988 274 E CA 1.347 57.715 56.400 -0.054 0.000 0.811 274 E CB -0.479 29.152 29.700 -0.116 0.000 0.746 274 E HN 0.888 nan 8.360 nan 0.000 0.466 275 H N -0.109 118.972 119.070 0.019 0.000 2.363 275 H HA 0.051 4.607 4.556 -0.000 0.000 0.301 275 H C 2.226 177.600 175.328 0.077 0.000 1.074 275 H CA 0.673 56.723 56.048 0.003 0.000 1.354 275 H CB 0.182 29.964 29.762 0.032 0.000 1.397 275 H HN 0.034 nan 8.280 nan 0.000 0.516 276 L N -0.542 120.837 121.223 0.260 0.000 2.156 276 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 276 L C 2.580 179.580 176.870 0.216 0.000 1.095 276 L CA 0.493 55.507 54.840 0.291 0.000 0.770 276 L CB -0.258 41.922 42.059 0.201 0.000 0.914 276 L HN 0.192 nan 8.230 nan 0.000 0.439 277 S N -0.800 114.976 115.700 0.128 0.000 2.399 277 S HA -0.251 4.219 4.470 -0.000 0.000 0.231 277 S C 1.985 176.614 174.600 0.048 0.000 1.022 277 S CA 1.237 59.486 58.200 0.081 0.000 0.983 277 S CB -0.258 62.973 63.200 0.051 0.000 0.803 277 S HN 0.561 nan 8.310 nan 0.000 0.480 278 H N -0.239 118.753 119.070 -0.130 0.000 2.387 278 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 278 H C 1.151 176.278 175.328 -0.335 0.000 1.099 278 H CA 2.175 58.040 56.048 -0.305 0.000 1.315 278 H CB -0.249 29.198 29.762 -0.524 0.000 1.380 278 H HN 0.488 nan 8.280 nan 0.000 0.513 279 F N -0.974 119.019 119.950 0.073 0.000 2.776 279 F HA 0.291 4.818 4.527 -0.000 0.000 0.300 279 F C 1.760 177.570 175.800 0.016 0.000 1.116 279 F CA 0.633 58.641 58.000 0.014 0.000 1.375 279 F CB 0.453 39.493 39.000 0.067 0.000 1.109 279 F HN 0.340 nan 8.300 nan 0.000 0.585 280 G N 1.289 110.176 108.800 0.146 0.000 2.215 280 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.198 280 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.198 280 G C -0.271 174.707 174.900 0.129 0.000 1.047 280 G CA -0.507 44.657 45.100 0.107 0.000 0.747 280 G HN 0.267 nan 8.290 nan 0.000 0.495 281 I N 1.301 121.957 120.570 0.144 0.000 2.420 281 I HA 0.485 4.655 4.170 -0.000 0.000 0.282 281 I C 0.481 176.658 176.117 0.100 0.000 1.019 281 I CA -0.038 61.343 61.300 0.134 0.000 1.130 281 I CB 1.298 39.396 38.000 0.163 0.000 1.262 281 I HN 0.287 nan 8.210 nan 0.000 0.454 282 D N 7.185 127.631 120.400 0.077 0.000 2.256 282 D HA 0.575 5.215 4.640 -0.000 0.000 0.250 282 D C 0.132 176.465 176.300 0.056 0.000 1.093 282 D CA -0.305 53.730 54.000 0.057 0.000 0.882 282 D CB 1.210 42.036 40.800 0.043 0.000 1.185 282 D HN 0.426 nan 8.370 nan 0.000 0.437 317 L N 0.045 121.250 121.223 -0.031 0.000 2.322 317 L HA 0.485 4.824 4.340 -0.000 0.000 0.279 317 L C 0.773 177.607 176.870 -0.061 0.000 1.036 317 L CA -0.846 53.969 54.840 -0.041 0.000 0.807 317 L CB 1.542 43.574 42.059 -0.045 0.000 1.226 317 L HN 0.032 nan 8.230 nan 0.000 0.433 318 K N 3.323 123.685 120.400 -0.064 0.000 2.436 318 K HA 0.176 4.496 4.320 -0.000 0.000 0.282 318 K C -2.354 174.154 176.600 -0.153 0.000 1.044 318 K CA -1.268 54.972 56.287 -0.078 0.000 1.028 318 K CB 0.657 33.120 32.500 -0.062 0.000 0.919 318 K HN 0.213 nan 8.250 nan 0.000 0.474 319 P HA 0.096 nan 4.420 nan 0.000 0.271 319 P C -0.885 176.039 177.300 -0.628 0.000 1.218 319 P CA -0.008 62.842 63.100 -0.417 0.000 0.780 319 P CB 0.629 32.117 31.700 -0.353 0.000 0.901 320 L N 2.254 122.979 121.223 -0.830 0.000 2.341 320 L HA 0.497 4.837 4.340 -0.000 0.000 0.267 320 L C 0.160 176.523 176.870 -0.847 0.000 1.009 320 L CA -0.474 53.922 54.840 -0.740 0.000 0.819 320 L CB 1.498 43.171 42.059 -0.644 0.000 1.323 320 L HN 0.371 nan 8.230 nan 0.000 0.425 321 F N -0.757 119.114 119.950 -0.130 0.000 2.912 321 F HA 0.259 4.786 4.527 -0.000 0.000 0.357 321 F C 1.386 177.233 175.800 0.078 0.000 1.003 321 F CA -0.300 57.694 58.000 -0.011 0.000 1.132 321 F CB 0.151 39.131 39.000 -0.033 0.000 1.055 321 F HN 0.532 nan 8.300 nan 0.000 0.572 322 G N 1.250 110.231 108.800 0.302 0.000 2.468 322 G HA2 0.274 4.234 3.960 -0.000 0.000 0.264 322 G HA3 0.274 4.234 3.960 -0.000 0.000 0.264 322 G C -2.378 172.677 174.900 0.258 0.000 1.460 322 G CA -0.792 44.490 45.100 0.302 0.000 1.060 322 G HN -0.190 nan 8.290 nan 0.000 0.543 323 P HA 0.199 nan 4.420 nan 0.000 0.265 323 P C 0.749 178.021 177.300 -0.046 0.000 1.193 323 P CA 1.363 64.493 63.100 0.049 0.000 0.765 323 P CB 0.819 32.536 31.700 0.029 0.000 0.823 324 G N 1.911 110.619 108.800 -0.154 0.000 2.179 324 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 324 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 324 G C 0.027 174.631 174.900 -0.494 0.000 0.977 324 G CA -0.118 44.773 45.100 -0.349 0.000 0.641 324 G HN 0.551 nan 8.290 nan 0.000 0.533 325 Y N 1.429 121.780 120.300 0.084 0.000 2.617 325 Y HA 0.448 4.998 4.550 -0.000 0.000 0.328 325 Y C 0.760 176.695 175.900 0.059 0.000 0.946 325 Y CA -0.161 57.994 58.100 0.091 0.000 1.241 325 Y CB 0.688 39.140 38.460 -0.014 0.000 1.226 325 Y HN 0.130 nan 8.280 nan 0.000 0.582 326 T N 0.360 115.006 114.554 0.152 0.000 2.799 326 T HA 0.463 4.813 4.350 -0.000 0.000 0.286 326 T C 0.797 175.542 174.700 0.076 0.000 0.973 326 T CA -0.618 61.522 62.100 0.066 0.000 1.035 326 T CB 1.387 70.235 68.868 -0.033 0.000 0.932 326 T HN 0.567 nan 8.240 nan 0.000 0.469 327 G N 1.846 110.667 108.800 0.035 0.000 2.539 327 G HA2 0.606 4.566 3.960 -0.000 0.000 0.258 327 G HA3 0.606 4.566 3.960 -0.000 0.000 0.258 327 G C -0.596 174.277 174.900 -0.045 0.000 1.202 327 G CA -0.653 44.457 45.100 0.017 0.000 0.851 327 G HN 0.752 nan 8.290 nan 0.000 0.556 328 I N 0.324 120.865 120.570 -0.048 0.000 2.447 328 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 328 I C 0.078 176.156 176.117 -0.064 0.000 1.023 328 I CA -0.904 60.341 61.300 -0.092 0.000 1.083 328 I CB 2.226 40.161 38.000 -0.108 0.000 1.245 328 I HN 0.311 nan 8.210 nan 0.000 0.434 329 R N 4.793 125.250 120.500 -0.072 0.000 2.399 329 R HA 0.022 4.362 4.340 -0.000 0.000 0.324 329 R C 0.361 176.644 176.300 -0.029 0.000 1.030 329 R CA 0.065 56.141 56.100 -0.041 0.000 0.984 329 R CB -0.076 30.198 30.300 -0.044 0.000 0.961 329 R HN 0.524 nan 8.270 nan 0.000 0.433 330 N N 4.115 122.810 118.700 -0.008 0.000 2.411 330 N HA -0.094 4.646 4.740 -0.000 0.000 0.261 330 N C -0.104 175.410 175.510 0.008 0.000 1.248 330 N CA 0.460 53.512 53.050 0.002 0.000 0.885 330 N CB 0.647 39.158 38.487 0.040 0.000 1.062 330 N HN 0.570 nan 8.380 nan 0.000 0.471 331 L N 2.737 123.961 121.223 0.003 0.000 2.728 331 L HA 0.291 4.631 4.340 -0.000 0.000 0.235 331 L C 0.962 177.852 176.870 0.033 0.000 1.197 331 L CA -0.195 54.655 54.840 0.017 0.000 0.992 331 L CB -0.422 41.647 42.059 0.017 0.000 1.263 331 L HN 0.802 nan 8.230 nan 0.000 0.484 332 G N 0.667 109.492 108.800 0.042 0.000 3.269 332 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.668 332 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.668 332 G C 0.243 175.193 174.900 0.083 0.000 1.100 332 G CA -0.419 44.717 45.100 0.059 0.000 0.940 332 G HN 0.329 nan 8.290 nan 0.000 0.438 333 N N -1.148 117.615 118.700 0.105 0.000 2.857 333 N HA -0.264 4.476 4.740 -0.000 0.000 0.242 333 N C 1.636 177.262 175.510 0.193 0.000 0.983 333 N CA 2.338 55.487 53.050 0.164 0.000 0.934 333 N CB -1.465 37.127 38.487 0.175 0.000 1.115 333 N HN 1.840 nan 8.380 nan 0.000 0.593 334 S N -0.954 114.763 115.700 0.029 0.000 2.754 334 S HA 0.078 4.548 4.470 -0.000 0.000 0.223 334 S C 2.090 176.486 174.600 -0.341 0.000 0.951 334 S CA 0.276 58.328 58.200 -0.247 0.000 0.954 334 S CB -0.981 62.097 63.200 -0.204 0.000 0.780 334 S HN 0.545 nan 8.310 nan 0.000 0.509 335 C N 0.736 119.981 119.300 -0.092 0.000 2.432 335 C HA 0.008 4.468 4.460 -0.000 0.000 0.280 335 C C 2.427 177.375 174.990 -0.071 0.000 1.353 335 C CA 0.241 59.208 59.018 -0.085 0.000 1.766 335 C CB -2.227 25.432 27.740 -0.135 0.000 1.924 335 C HN 0.776 nan 8.230 nan 0.000 0.509 336 Y N 1.492 121.774 120.300 -0.030 0.000 2.181 336 Y HA -0.044 4.506 4.550 -0.000 0.000 0.288 336 Y C 2.383 178.098 175.900 -0.308 0.000 1.146 336 Y CA 1.314 59.269 58.100 -0.242 0.000 1.164 336 Y CB -1.061 37.289 38.460 -0.183 0.000 0.982 336 Y HN 0.315 nan 8.280 nan 0.000 0.515 337 L N 1.006 121.550 121.223 -1.131 0.000 2.005 337 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 337 L C 2.021 178.700 176.870 -0.317 0.000 1.072 337 L CA 1.900 56.181 54.840 -0.933 0.000 0.744 337 L CB -0.544 40.877 42.059 -1.063 0.000 0.895 337 L HN 0.242 nan 8.230 nan 0.000 0.433 338 N N -0.220 118.305 118.700 -0.291 0.000 2.069 338 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 338 N C 1.920 177.347 175.510 -0.139 0.000 1.031 338 N CA 1.728 54.677 53.050 -0.169 0.000 0.852 338 N CB -0.696 37.709 38.487 -0.136 0.000 1.018 338 N HN 0.311 nan 8.380 nan 0.000 0.423 339 S N 0.543 116.168 115.700 -0.126 0.000 2.359 339 S HA -0.076 4.393 4.470 -0.000 0.000 0.224 339 S C 2.270 176.808 174.600 -0.104 0.000 1.035 339 S CA 0.981 59.118 58.200 -0.105 0.000 1.018 339 S CB -0.362 62.802 63.200 -0.060 0.000 0.876 339 S HN 0.106 nan 8.310 nan 0.000 0.448 340 V N 0.926 120.827 119.914 -0.021 0.000 2.307 340 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 340 V C 2.284 178.361 176.094 -0.027 0.000 1.045 340 V CA 1.374 63.719 62.300 0.075 0.000 1.024 340 V CB -0.611 31.424 31.823 0.353 0.000 0.651 340 V HN 0.336 nan 8.190 nan 0.000 0.449 341 V N -0.392 119.521 119.914 -0.002 0.000 2.594 341 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 341 V C 2.579 178.614 176.094 -0.098 0.000 1.069 341 V CA 1.752 64.022 62.300 -0.049 0.000 1.082 341 V CB -0.383 31.430 31.823 -0.015 0.000 0.680 341 V HN 0.583 nan 8.190 nan 0.000 0.469 342 Q N -0.943 118.741 119.800 -0.193 0.000 2.123 342 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 342 Q C 2.324 178.103 176.000 -0.368 0.000 0.966 342 Q CA 1.437 57.038 55.803 -0.337 0.000 0.845 342 Q CB -0.268 28.142 28.738 -0.547 0.000 0.907 342 Q HN 0.568 nan 8.270 nan 0.000 0.439 343 V N 1.164 120.856 119.914 -0.370 0.000 2.307 343 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 343 V C 2.376 178.279 176.094 -0.317 0.000 1.045 343 V CA 1.148 63.197 62.300 -0.418 0.000 1.024 343 V CB -0.582 30.820 31.823 -0.703 0.000 0.651 343 V HN 0.206 nan 8.190 nan 0.000 0.449 344 L N -0.465 120.524 121.223 -0.390 0.000 1.971 344 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 344 L C 2.061 178.595 176.870 -0.560 0.000 1.072 344 L CA 2.057 56.519 54.840 -0.632 0.000 0.758 344 L CB -1.039 40.462 42.059 -0.930 0.000 0.889 344 L HN 0.307 nan 8.230 nan 0.000 0.433 345 F N -1.312 118.511 119.950 -0.211 0.000 2.805 345 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 345 F C 1.900 177.644 175.800 -0.093 0.000 1.196 345 F CA 0.203 58.136 58.000 -0.112 0.000 1.439 345 F CB -0.368 38.555 39.000 -0.128 0.000 1.117 345 F HN -0.006 nan 8.300 nan 0.000 0.581 346 S N -0.107 115.604 115.700 0.019 0.000 2.557 346 S HA 0.296 4.766 4.470 -0.000 0.000 0.223 346 S C 0.516 175.192 174.600 0.126 0.000 0.969 346 S CA -0.043 58.224 58.200 0.111 0.000 0.927 346 S CB -0.029 63.263 63.200 0.154 0.000 0.806 346 S HN 0.117 nan 8.310 nan 0.000 0.489 347 I N 2.371 122.928 120.570 -0.023 0.000 2.355 347 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 347 I C -1.968 174.125 176.117 -0.042 0.000 0.999 347 I CA -2.496 58.686 61.300 -0.197 0.000 1.163 347 I CB 2.026 39.803 38.000 -0.372 0.000 1.316 347 I HN -0.129 nan 8.210 nan 0.000 0.454 348 P HA -0.208 nan 4.420 nan 0.000 0.218 348 P C 0.652 177.952 177.300 0.000 0.000 1.154 348 P CA 1.537 64.641 63.100 0.008 0.000 0.872 348 P CB 0.176 31.881 31.700 0.007 0.000 0.790 349 D N -1.926 118.442 120.400 -0.053 0.000 2.149 349 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 349 D C 1.560 177.738 176.300 -0.203 0.000 0.990 349 D CA 1.096 55.007 54.000 -0.147 0.000 0.839 349 D CB -0.794 39.864 40.800 -0.235 0.000 0.948 349 D HN 0.218 nan 8.370 nan 0.000 0.460 350 F N 0.953 120.839 119.950 -0.106 0.000 2.234 350 F HA -0.029 4.498 4.527 -0.000 0.000 0.296 350 F C 2.460 178.335 175.800 0.124 0.000 1.089 350 F CA 0.706 58.695 58.000 -0.019 0.000 1.343 350 F CB -0.261 38.637 39.000 -0.169 0.000 1.040 350 F HN -0.109 nan 8.300 nan 0.000 0.498 351 Q N -0.043 119.931 119.800 0.290 0.000 2.096 351 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 351 Q C 2.274 178.361 176.000 0.144 0.000 0.982 351 Q CA 1.584 57.543 55.803 0.261 0.000 0.850 351 Q CB -0.383 28.452 28.738 0.163 0.000 0.901 351 Q HN 0.379 nan 8.270 nan 0.000 0.422 352 R N 0.714 121.243 120.500 0.048 0.000 2.090 352 R HA -0.134 4.206 4.340 -0.000 0.000 0.228 352 R C 2.199 178.452 176.300 -0.078 0.000 1.110 352 R CA 1.387 57.475 56.100 -0.019 0.000 0.973 352 R CB 0.083 30.352 30.300 -0.052 0.000 0.869 352 R HN -0.031 nan 8.270 nan 0.000 0.440 353 K N -0.844 119.460 120.400 -0.161 0.000 2.076 353 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 353 K C 1.050 177.415 176.600 -0.391 0.000 1.051 353 K CA 1.542 57.601 56.287 -0.381 0.000 0.949 353 K CB -0.012 32.081 32.500 -0.679 0.000 0.726 353 K HN 0.145 nan 8.250 nan 0.000 0.443 354 Y N -1.261 119.091 120.300 0.086 0.000 2.535 354 Y HA 0.222 4.772 4.550 -0.000 0.000 0.266 354 Y C 1.751 177.689 175.900 0.064 0.000 1.088 354 Y CA 0.059 58.229 58.100 0.117 0.000 1.285 354 Y CB 0.667 39.292 38.460 0.276 0.000 1.166 354 Y HN -0.160 nan 8.280 nan 0.000 0.525 355 V N -0.734 119.305 119.914 0.208 0.000 2.581 355 V HA -0.082 4.038 4.120 -0.000 0.000 0.240 355 V C 1.363 177.485 176.094 0.046 0.000 1.054 355 V CA 1.361 63.731 62.300 0.117 0.000 1.076 355 V CB -0.218 31.682 31.823 0.128 0.000 0.748 355 V HN 0.125 nan 8.190 nan 0.000 0.474 356 D N 0.723 121.144 120.400 0.035 0.000 2.218 356 D HA -0.095 4.544 4.640 -0.000 0.000 0.204 356 D C 1.652 177.930 176.300 -0.036 0.000 0.976 356 D CA 1.107 55.108 54.000 0.001 0.000 0.853 356 D CB -0.054 40.744 40.800 -0.004 0.000 0.939 356 D HN 0.402 nan 8.370 nan 0.000 0.481 357 K N 0.182 120.550 120.400 -0.053 0.000 2.455 357 K HA 0.195 4.514 4.320 -0.000 0.000 0.206 357 K C 1.581 178.105 176.600 -0.128 0.000 1.027 357 K CA -0.214 56.026 56.287 -0.077 0.000 1.113 357 K CB 0.731 33.183 32.500 -0.079 0.000 0.850 357 K HN 0.063 nan 8.250 nan 0.000 0.503 358 L N 1.327 122.435 121.223 -0.191 0.000 2.051 358 L HA -0.278 4.061 4.340 -0.000 0.000 0.214 358 L C 2.086 178.633 176.870 -0.539 0.000 1.076 358 L CA 1.739 56.302 54.840 -0.461 0.000 0.758 358 L CB 0.052 41.835 42.059 -0.461 0.000 0.890 358 L HN 0.219 nan 8.230 nan 0.000 0.433 359 E N 0.311 120.357 120.200 -0.258 0.000 2.017 359 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 359 E C 2.191 178.763 176.600 -0.046 0.000 0.997 359 E CA 1.618 57.945 56.400 -0.122 0.000 0.804 359 E CB -0.197 29.468 29.700 -0.058 0.000 0.757 359 E HN 0.488 nan 8.360 nan 0.000 0.448 360 K N 0.660 121.034 120.400 -0.043 0.000 2.032 360 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 360 K C 2.259 178.888 176.600 0.050 0.000 1.048 360 K CA 1.051 57.341 56.287 0.004 0.000 0.927 360 K CB -0.354 32.140 32.500 -0.009 0.000 0.712 360 K HN 0.101 nan 8.250 nan 0.000 0.441 361 I N -0.128 120.453 120.570 0.017 0.000 2.163 361 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 361 I C 1.818 178.122 176.117 0.311 0.000 1.085 361 I CA 1.146 62.514 61.300 0.112 0.000 1.347 361 I CB -0.246 37.792 38.000 0.063 0.000 1.044 361 I HN 0.055 nan 8.210 nan 0.000 0.408 362 F N 1.080 121.128 119.950 0.163 0.000 2.134 362 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 362 F C 2.750 178.656 175.800 0.176 0.000 1.097 362 F CA 0.998 59.150 58.000 0.254 0.000 1.264 362 F CB -1.329 37.748 39.000 0.128 0.000 1.001 362 F HN 0.176 nan 8.300 nan 0.000 0.479 363 Q N 0.123 120.084 119.800 0.268 0.000 2.112 363 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 363 Q C 1.510 177.601 176.000 0.152 0.000 0.987 363 Q CA 1.794 57.686 55.803 0.149 0.000 0.858 363 Q CB -1.050 27.736 28.738 0.080 0.000 0.905 363 Q HN 0.516 nan 8.270 nan 0.000 0.420 364 N N 0.207 119.006 118.700 0.164 0.000 2.398 364 N HA 0.166 4.906 4.740 -0.000 0.000 0.188 364 N C -0.066 175.545 175.510 0.168 0.000 1.122 364 N CA 0.051 53.183 53.050 0.137 0.000 0.866 364 N CB 0.282 38.834 38.487 0.108 0.000 0.970 364 N HN 0.175 nan 8.380 nan 0.000 0.462 365 A N 2.043 125.008 122.820 0.242 0.000 2.483 365 A HA 0.196 4.516 4.320 -0.000 0.000 0.238 365 A C -1.757 175.927 177.584 0.167 0.000 1.070 365 A CA -0.894 51.282 52.037 0.230 0.000 0.770 365 A CB 0.030 19.224 19.000 0.322 0.000 1.008 365 A HN 0.072 nan 8.150 nan 0.000 0.497 366 P HA 0.146 nan 4.420 nan 0.000 0.286 366 P C 0.880 178.244 177.300 0.107 0.000 1.293 366 P CA -0.103 63.054 63.100 0.095 0.000 0.770 366 P CB 0.150 31.893 31.700 0.073 0.000 1.206 367 T N -1.467 113.144 114.554 0.095 0.000 2.720 367 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 367 T C 0.707 175.494 174.700 0.144 0.000 1.037 367 T CA 1.680 63.861 62.100 0.134 0.000 1.144 367 T CB -0.741 68.185 68.868 0.097 0.000 0.864 367 T HN 0.498 nan 8.240 nan 0.000 0.444 368 D N 1.275 121.706 120.400 0.053 0.000 2.443 368 D HA 0.205 4.845 4.640 -0.000 0.000 0.221 368 D C -2.194 174.040 176.300 -0.109 0.000 1.097 368 D CA -2.479 51.501 54.000 -0.034 0.000 0.865 368 D CB 1.670 42.453 40.800 -0.028 0.000 1.034 368 D HN 0.073 nan 8.370 nan 0.000 0.511 369 P HA 0.017 nan 4.420 nan 0.000 0.245 369 P C 1.243 178.336 177.300 -0.344 0.000 1.206 369 P CA 0.530 63.419 63.100 -0.351 0.000 0.781 369 P CB 0.235 31.439 31.700 -0.826 0.000 0.994 370 T N -3.761 110.586 114.554 -0.345 0.000 2.995 370 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 370 T C 1.406 176.035 174.700 -0.117 0.000 1.091 370 T CA 0.958 62.892 62.100 -0.277 0.000 1.128 370 T CB -0.519 68.127 68.868 -0.371 0.000 0.891 370 T HN -0.012 nan 8.240 nan 0.000 0.492 371 Q N 0.985 120.739 119.800 -0.076 0.000 2.198 371 Q HA 0.301 4.641 4.340 -0.000 0.000 0.209 371 Q C -0.568 175.451 176.000 0.033 0.000 0.848 371 Q CA 0.015 55.818 55.803 -0.001 0.000 0.974 371 Q CB 0.425 29.175 28.738 0.019 0.000 1.115 371 Q HN 0.649 nan 8.270 nan 0.000 0.494 372 D N -0.024 120.384 120.400 0.013 0.000 2.317 372 D HA 0.091 4.731 4.640 -0.000 0.000 0.234 372 D C 0.592 176.958 176.300 0.110 0.000 1.112 372 D CA -0.365 53.680 54.000 0.075 0.000 0.840 372 D CB 0.467 41.301 40.800 0.056 0.000 1.078 372 D HN -0.101 nan 8.370 nan 0.000 0.486 373 F N 3.241 123.212 119.950 0.035 0.000 2.043 373 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 373 F C 2.191 178.033 175.800 0.070 0.000 1.121 373 F CA 1.666 59.684 58.000 0.029 0.000 1.199 373 F CB -0.439 38.569 39.000 0.015 0.000 0.968 373 F HN 0.383 nan 8.300 nan 0.000 0.478 374 S N -0.264 115.532 115.700 0.160 0.000 2.368 374 S HA -0.265 4.204 4.470 -0.000 0.000 0.226 374 S C 1.970 176.617 174.600 0.079 0.000 1.044 374 S CA 2.075 60.366 58.200 0.151 0.000 1.062 374 S CB -0.823 62.572 63.200 0.324 0.000 0.931 374 S HN 0.572 nan 8.310 nan 0.000 0.440 375 T N 2.019 116.657 114.554 0.141 0.000 2.635 375 T HA -0.132 4.217 4.350 -0.000 0.000 0.267 375 T C 1.961 176.733 174.700 0.119 0.000 1.040 375 T CA 1.260 63.499 62.100 0.231 0.000 1.156 375 T CB -0.356 68.572 68.868 0.101 0.000 0.863 375 T HN 0.301 nan 8.240 nan 0.000 0.430 376 Q N 0.399 120.189 119.800 -0.017 0.000 2.167 376 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 376 Q C 2.618 178.637 176.000 0.030 0.000 0.970 376 Q CA 0.744 56.545 55.803 -0.004 0.000 0.855 376 Q CB -0.764 27.989 28.738 0.025 0.000 0.911 376 Q HN 0.414 nan 8.270 nan 0.000 0.438 377 V N 1.024 120.857 119.914 -0.136 0.000 2.358 377 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 377 V C 2.347 178.391 176.094 -0.083 0.000 1.047 377 V CA 1.717 63.892 62.300 -0.209 0.000 1.035 377 V CB -1.028 30.295 31.823 -0.832 0.000 0.658 377 V HN 0.302 nan 8.190 nan 0.000 0.452 378 A N 0.016 122.834 122.820 -0.004 0.000 1.898 378 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 378 A C 2.317 179.925 177.584 0.040 0.000 1.181 378 A CA 2.125 54.199 52.037 0.062 0.000 0.620 378 A CB -0.500 18.525 19.000 0.041 0.000 0.819 378 A HN 0.544 nan 8.150 nan 0.000 0.442 379 K N -0.363 120.088 120.400 0.085 0.000 2.044 379 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 379 K C 1.947 178.533 176.600 -0.023 0.000 1.049 379 K CA 1.639 57.922 56.287 -0.006 0.000 0.927 379 K CB -0.303 32.069 32.500 -0.214 0.000 0.713 379 K HN 0.468 nan 8.250 nan 0.000 0.443 380 L N 0.132 121.308 121.223 -0.078 0.000 1.988 380 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 380 L C 2.434 179.029 176.870 -0.459 0.000 1.071 380 L CA 1.747 56.507 54.840 -0.134 0.000 0.744 380 L CB -0.959 40.852 42.059 -0.412 0.000 0.893 380 L HN 0.522 nan 8.230 nan 0.000 0.433 381 G N -1.303 106.952 108.800 -0.907 0.000 2.529 381 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.219 381 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.219 381 G C 1.340 175.906 174.900 -0.557 0.000 1.177 381 G CA 1.395 45.587 45.100 -1.513 0.000 0.773 381 G HN 0.587 nan 8.290 nan 0.000 0.573 382 H N 0.698 119.601 119.070 -0.278 0.000 2.387 382 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 382 H C 2.657 177.967 175.328 -0.030 0.000 1.090 382 H CA 1.904 57.895 56.048 -0.095 0.000 1.332 382 H CB -0.564 29.198 29.762 0.000 0.000 1.386 382 H HN 0.251 nan 8.280 nan 0.000 0.516 383 G N 0.293 109.108 108.800 0.025 0.000 2.442 383 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 383 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 383 G C 1.601 176.396 174.900 -0.175 0.000 1.141 383 G CA 1.084 46.204 45.100 0.033 0.000 0.763 383 G HN 0.440 nan 8.290 nan 0.000 0.554 384 L N -0.680 120.395 121.223 -0.246 0.000 2.209 384 L HA 0.231 4.571 4.340 -0.000 0.000 0.207 384 L C 2.407 179.162 176.870 -0.192 0.000 1.094 384 L CA 0.307 55.015 54.840 -0.220 0.000 0.790 384 L CB -0.133 41.774 42.059 -0.253 0.000 0.932 384 L HN 0.127 nan 8.230 nan 0.000 0.447 385 L N -0.900 120.185 121.223 -0.230 0.000 2.592 385 L HA 0.083 4.423 4.340 -0.000 0.000 0.227 385 L C 1.674 178.438 176.870 -0.177 0.000 1.127 385 L CA -0.127 54.609 54.840 -0.173 0.000 0.884 385 L CB -0.050 41.936 42.059 -0.121 0.000 1.065 385 L HN 0.291 nan 8.230 nan 0.000 0.457 386 S N -0.993 114.542 115.700 -0.276 0.000 3.574 386 S HA 0.592 5.062 4.470 -0.000 0.000 0.212 386 S C 0.446 174.994 174.600 -0.087 0.000 1.056 386 S CA -0.046 58.020 58.200 -0.223 0.000 1.501 386 S CB 0.391 63.315 63.200 -0.460 0.000 0.931 386 S HN 0.023 nan 8.310 nan 0.000 0.630 387 G N 0.379 109.151 108.800 -0.046 0.000 2.626 387 G HA2 0.619 4.579 3.960 -0.000 0.000 0.304 387 G HA3 0.619 4.579 3.960 -0.000 0.000 0.304 387 G C -0.902 174.009 174.900 0.019 0.000 1.385 387 G CA -0.312 44.794 45.100 0.010 0.000 0.957 387 G HN 1.039 nan 8.290 nan 0.000 0.504 412 I N 1.174 121.616 120.570 -0.213 0.000 2.647 412 I HA 0.674 4.844 4.170 -0.000 0.000 0.295 412 I C -0.448 175.474 176.117 -0.325 0.000 1.078 412 I CA -0.957 60.096 61.300 -0.410 0.000 1.048 412 I CB 2.342 39.979 38.000 -0.606 0.000 1.239 412 I HN 0.679 nan 8.210 nan 0.000 0.421 413 A N 7.880 130.505 122.820 -0.325 0.000 2.316 413 A HA 0.623 4.943 4.320 -0.000 0.000 0.324 413 A C -2.350 175.244 177.584 0.017 0.000 1.375 413 A CA -1.253 50.716 52.037 -0.114 0.000 0.882 413 A CB 0.005 18.986 19.000 -0.032 0.000 1.152 413 A HN 0.426 nan 8.150 nan 0.000 0.512 414 P HA 0.052 nan 4.420 nan 0.000 0.235 414 P C 0.910 178.354 177.300 0.240 0.000 1.725 414 P CA -0.370 62.857 63.100 0.210 0.000 0.894 414 P CB -0.236 31.525 31.700 0.102 0.000 1.704 415 R N -0.359 120.251 120.500 0.183 0.000 2.120 415 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 415 R C 1.915 178.303 176.300 0.147 0.000 1.123 415 R CA 0.981 57.165 56.100 0.140 0.000 0.975 415 R CB -0.962 29.396 30.300 0.097 0.000 0.866 415 R HN 0.167 nan 8.270 nan 0.000 0.446 416 M N 0.514 120.211 119.600 0.161 0.000 2.132 416 M HA -0.088 4.391 4.480 -0.000 0.000 0.263 416 M C 1.958 178.336 176.300 0.131 0.000 1.065 416 M CA 1.712 57.079 55.300 0.111 0.000 1.122 416 M CB -0.106 32.517 32.600 0.039 0.000 1.365 416 M HN 0.284 nan 8.290 nan 0.000 0.411 417 F N 0.642 120.616 119.950 0.039 0.000 2.128 417 F HA -0.158 4.369 4.527 -0.000 0.000 0.295 417 F C 2.255 178.099 175.800 0.074 0.000 1.100 417 F CA 1.835 59.857 58.000 0.037 0.000 1.260 417 F CB -0.344 38.684 39.000 0.047 0.000 1.009 417 F HN 0.012 nan 8.300 nan 0.000 0.476 418 K N 0.490 120.991 120.400 0.167 0.000 2.152 418 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 418 K C 2.117 178.717 176.600 0.000 0.000 1.048 418 K CA 1.243 57.558 56.287 0.047 0.000 0.933 418 K CB -0.386 32.180 32.500 0.109 0.000 0.721 418 K HN 0.373 nan 8.250 nan 0.000 0.447 419 A N 1.178 124.016 122.820 0.030 0.000 1.929 419 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 419 A C 2.069 179.669 177.584 0.026 0.000 1.176 419 A CA 0.852 52.915 52.037 0.044 0.000 0.628 419 A CB -0.438 18.597 19.000 0.059 0.000 0.816 419 A HN 0.367 nan 8.150 nan 0.000 0.444 420 L N -0.011 121.200 121.223 -0.021 0.000 1.988 420 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 420 L C 2.453 179.322 176.870 -0.000 0.000 1.071 420 L CA 1.959 56.793 54.840 -0.009 0.000 0.744 420 L CB -0.432 41.609 42.059 -0.030 0.000 0.893 420 L HN 0.592 nan 8.230 nan 0.000 0.433 421 I N -2.030 118.464 120.570 -0.127 0.000 2.700 421 I HA -0.057 4.113 4.170 -0.000 0.000 0.261 421 I C 1.902 178.120 176.117 0.169 0.000 1.219 421 I CA 1.553 62.835 61.300 -0.030 0.000 1.463 421 I CB -1.339 36.497 38.000 -0.274 0.000 1.092 421 I HN 0.086 nan 8.210 nan 0.000 0.452 422 G N 0.228 109.098 108.800 0.116 0.000 2.887 422 G HA2 0.010 3.970 3.960 -0.000 0.000 0.211 422 G HA3 0.010 3.970 3.960 -0.000 0.000 0.211 422 G C 0.712 175.731 174.900 0.198 0.000 1.152 422 G CA -0.403 44.812 45.100 0.191 0.000 0.769 422 G HN 0.327 nan 8.290 nan 0.000 0.541 423 K N 0.739 121.231 120.400 0.153 0.000 2.484 423 K HA 0.311 4.631 4.320 -0.000 0.000 0.280 423 K C 1.473 178.165 176.600 0.154 0.000 1.013 423 K CA 0.820 57.185 56.287 0.130 0.000 1.029 423 K CB 0.194 32.753 32.500 0.097 0.000 0.902 423 K HN 0.217 nan 8.250 nan 0.000 0.481 424 G N 2.322 111.197 108.800 0.126 0.000 2.245 424 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 424 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 424 G C 0.056 175.027 174.900 0.118 0.000 0.985 424 G CA 0.367 45.531 45.100 0.106 0.000 0.625 424 G HN 0.807 nan 8.290 nan 0.000 0.536 425 H N 2.573 121.689 119.070 0.077 0.000 2.690 425 H HA 0.313 4.869 4.556 -0.000 0.000 0.314 425 H C -1.040 174.281 175.328 -0.012 0.000 1.069 425 H CA -0.877 55.200 56.048 0.049 0.000 1.436 425 H CB 1.843 31.654 29.762 0.083 0.000 1.462 425 H HN 0.141 nan 8.280 nan 0.000 0.511 426 P HA -0.089 nan 4.420 nan 0.000 0.231 426 P C 0.695 177.981 177.300 -0.023 0.000 1.158 426 P CA 0.907 63.961 63.100 -0.078 0.000 0.763 426 P CB 0.710 32.313 31.700 -0.161 0.000 0.805 427 E N -1.118 119.151 120.200 0.115 0.000 2.378 427 E HA 0.127 4.476 4.350 -0.000 0.000 0.200 427 E C 1.202 177.633 176.600 -0.283 0.000 0.882 427 E CA 0.299 56.592 56.400 -0.179 0.000 1.061 427 E CB -0.500 28.948 29.700 -0.420 0.000 1.049 427 E HN -0.017 nan 8.360 nan 0.000 0.494 428 F N 1.097 121.069 119.950 0.037 0.000 2.811 428 F HA 0.126 4.653 4.527 -0.000 0.000 0.301 428 F C 1.997 177.823 175.800 0.043 0.000 1.151 428 F CA 0.745 58.716 58.000 -0.048 0.000 1.412 428 F CB -0.098 38.761 39.000 -0.235 0.000 1.113 428 F HN 0.034 nan 8.300 nan 0.000 0.579 429 S N -1.682 114.133 115.700 0.191 0.000 2.470 429 S HA -0.026 4.443 4.470 -0.000 0.000 0.225 429 S C 1.262 175.924 174.600 0.105 0.000 1.006 429 S CA 0.374 58.660 58.200 0.144 0.000 0.934 429 S CB -1.143 62.129 63.200 0.121 0.000 0.778 429 S HN 0.354 nan 8.310 nan 0.000 0.517 430 T N 1.764 116.368 114.554 0.082 0.000 2.732 430 T HA 0.251 4.601 4.350 -0.000 0.000 0.287 430 T C 0.582 175.336 174.700 0.090 0.000 0.993 430 T CA -0.267 61.870 62.100 0.062 0.000 0.966 430 T CB 0.247 69.129 68.868 0.024 0.000 1.047 430 T HN 0.420 nan 8.240 nan 0.000 0.527 431 N N -0.349 118.397 118.700 0.076 0.000 2.282 431 N HA 0.091 4.831 4.740 -0.000 0.000 0.240 431 N C 0.198 175.765 175.510 0.095 0.000 1.182 431 N CA -0.730 52.377 53.050 0.095 0.000 0.874 431 N CB 0.228 38.760 38.487 0.074 0.000 1.126 431 N HN 0.790 nan 8.380 nan 0.000 0.516 432 R N -0.030 120.512 120.500 0.069 0.000 2.553 432 R HA 0.327 4.667 4.340 -0.000 0.000 0.263 432 R C -0.364 175.965 176.300 0.050 0.000 1.066 432 R CA -0.676 55.450 56.100 0.045 0.000 1.135 432 R CB 0.720 31.020 30.300 0.001 0.000 1.148 432 R HN -0.035 nan 8.270 nan 0.000 0.558 433 Q N 1.009 120.826 119.800 0.028 0.000 2.364 433 Q HA 0.070 4.410 4.340 -0.000 0.000 0.267 433 Q C -0.525 175.402 176.000 -0.121 0.000 0.999 433 Q CA 0.061 55.885 55.803 0.034 0.000 0.886 433 Q CB 0.892 29.660 28.738 0.051 0.000 1.243 433 Q HN 0.422 nan 8.270 nan 0.000 0.415 434 Q N 1.072 120.696 119.800 -0.293 0.000 2.484 434 Q HA 0.270 4.610 4.340 -0.000 0.000 0.285 434 Q C -0.988 174.944 176.000 -0.114 0.000 1.097 434 Q CA -0.640 54.887 55.803 -0.460 0.000 0.802 434 Q CB 1.776 29.862 28.738 -1.087 0.000 1.444 434 Q HN 0.638 nan 8.270 nan 0.000 0.429 435 D N -0.061 120.348 120.400 0.015 0.000 2.302 435 D HA 0.289 4.929 4.640 -0.000 0.000 0.248 435 D C 0.269 176.712 176.300 0.238 0.000 1.094 435 D CA 0.053 54.196 54.000 0.238 0.000 0.897 435 D CB 1.701 42.618 40.800 0.196 0.000 1.200 435 D HN 0.559 nan 8.370 nan 0.000 0.429 436 A N 3.777 126.721 122.820 0.207 0.000 1.929 436 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 436 A C 1.971 179.682 177.584 0.211 0.000 1.176 436 A CA 1.021 53.070 52.037 0.020 0.000 0.628 436 A CB -0.451 18.350 19.000 -0.332 0.000 0.816 436 A HN 0.736 nan 8.150 nan 0.000 0.444 437 Q N 0.127 120.048 119.800 0.201 0.000 2.050 437 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 437 Q C 1.955 178.121 176.000 0.277 0.000 0.980 437 Q CA 2.109 58.016 55.803 0.174 0.000 0.840 437 Q CB -0.266 28.537 28.738 0.108 0.000 0.898 437 Q HN 0.809 nan 8.270 nan 0.000 0.424 438 E N -0.889 119.491 120.200 0.300 0.000 2.204 438 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 438 E C 1.753 178.614 176.600 0.436 0.000 0.990 438 E CA 0.754 57.358 56.400 0.339 0.000 0.821 438 E CB -0.174 29.710 29.700 0.306 0.000 0.750 438 E HN 0.334 nan 8.360 nan 0.000 0.477 439 F N 0.219 120.325 119.950 0.261 0.000 2.118 439 F HA -0.071 4.456 4.527 -0.000 0.000 0.293 439 F C 1.835 177.657 175.800 0.037 0.000 1.102 439 F CA 1.164 59.172 58.000 0.014 0.000 1.247 439 F CB -0.725 38.332 39.000 0.094 0.000 1.017 439 F HN 0.079 nan 8.300 nan 0.000 0.475 440 F N 0.973 120.908 119.950 -0.026 0.000 2.085 440 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 440 F C 2.005 177.687 175.800 -0.198 0.000 1.096 440 F CA 2.131 60.048 58.000 -0.139 0.000 1.227 440 F CB -0.688 38.290 39.000 -0.037 0.000 0.983 440 F HN -0.006 nan 8.300 nan 0.000 0.482 441 L N -0.972 120.233 121.223 -0.030 0.000 2.156 441 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 441 L C 2.473 179.216 176.870 -0.211 0.000 1.095 441 L CA 1.491 56.252 54.840 -0.131 0.000 0.770 441 L CB -0.979 41.123 42.059 0.071 0.000 0.914 441 L HN 0.279 nan 8.230 nan 0.000 0.439 442 H N 0.156 119.072 119.070 -0.256 0.000 2.290 442 H HA -0.228 4.328 4.556 -0.000 0.000 0.298 442 H C 2.029 177.092 175.328 -0.442 0.000 1.087 442 H CA 1.874 57.749 56.048 -0.287 0.000 1.291 442 H CB -0.056 29.496 29.762 -0.350 0.000 1.369 442 H HN 0.052 nan 8.280 nan 0.000 0.492 443 L N -0.126 120.667 121.223 -0.717 0.000 2.017 443 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 443 L C 2.222 178.795 176.870 -0.495 0.000 1.073 443 L CA 1.328 55.773 54.840 -0.659 0.000 0.745 443 L CB -0.954 40.676 42.059 -0.716 0.000 0.894 443 L HN 0.365 nan 8.230 nan 0.000 0.432 444 I N 0.122 120.334 120.570 -0.597 0.000 2.194 444 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 444 I C 2.239 178.093 176.117 -0.438 0.000 1.093 444 I CA 1.402 62.389 61.300 -0.522 0.000 1.355 444 I CB -0.737 36.800 38.000 -0.772 0.000 1.046 444 I HN 0.400 nan 8.210 nan 0.000 0.413 445 N N -0.693 117.733 118.700 -0.456 0.000 2.409 445 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 445 N C 1.878 177.112 175.510 -0.460 0.000 1.032 445 N CA 0.798 53.605 53.050 -0.405 0.000 0.898 445 N CB -0.062 38.237 38.487 -0.312 0.000 0.971 445 N HN 0.376 nan 8.380 nan 0.000 0.441 446 M N 0.398 119.672 119.600 -0.544 0.000 2.156 446 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 446 M C 1.895 177.764 176.300 -0.719 0.000 1.067 446 M CA 0.867 55.757 55.300 -0.684 0.000 1.131 446 M CB 0.185 32.337 32.600 -0.748 0.000 1.368 446 M HN -0.167 nan 8.290 nan 0.000 0.416 447 V N 0.267 119.964 119.914 -0.360 0.000 2.332 447 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 447 V C 2.152 178.184 176.094 -0.103 0.000 1.055 447 V CA 2.227 64.494 62.300 -0.055 0.000 1.038 447 V CB -0.795 31.135 31.823 0.179 0.000 0.651 447 V HN 0.501 nan 8.190 nan 0.000 0.450 448 E N 0.325 120.418 120.200 -0.179 0.000 2.085 448 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 448 E C 2.259 178.770 176.600 -0.147 0.000 0.994 448 E CA 1.392 57.718 56.400 -0.123 0.000 0.801 448 E CB -0.185 29.411 29.700 -0.172 0.000 0.743 448 E HN 0.402 nan 8.360 nan 0.000 0.453 449 R N -0.115 120.160 120.500 -0.374 0.000 2.120 449 R HA -0.008 4.331 4.340 -0.000 0.000 0.234 449 R C 1.423 177.714 176.300 -0.015 0.000 1.123 449 R CA 1.637 57.537 56.100 -0.333 0.000 0.975 449 R CB -0.206 29.841 30.300 -0.421 0.000 0.866 449 R HN 0.201 nan 8.270 nan 0.000 0.446 450 N N -1.982 116.663 118.700 -0.092 0.000 2.353 450 N HA 0.039 4.779 4.740 -0.000 0.000 0.185 450 N C -0.184 175.382 175.510 0.094 0.000 1.098 450 N CA 0.378 53.446 53.050 0.029 0.000 0.872 450 N CB 0.632 39.151 38.487 0.053 0.000 0.970 450 N HN 0.076 nan 8.380 nan 0.000 0.467 451 C N 0.034 119.381 119.300 0.079 0.000 2.760 451 C HA 0.334 4.794 4.460 -0.000 0.000 0.293 451 C C 2.153 177.165 174.990 0.037 0.000 1.383 451 C CA -0.763 58.287 59.018 0.054 0.000 1.771 451 C CB -0.972 26.790 27.740 0.036 0.000 2.353 451 C HN 0.364 nan 8.230 nan 0.000 0.578 452 R N 2.811 123.341 120.500 0.051 0.000 2.073 452 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 452 R C 2.216 178.449 176.300 -0.111 0.000 1.134 452 R CA 2.876 58.959 56.100 -0.029 0.000 0.952 452 R CB -0.517 29.689 30.300 -0.156 0.000 0.850 452 R HN 0.491 nan 8.270 nan 0.000 0.433 453 S N -0.590 115.045 115.700 -0.108 0.000 2.406 453 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 453 S C 1.030 175.594 174.600 -0.061 0.000 1.030 453 S CA 0.184 58.325 58.200 -0.099 0.000 0.958 453 S CB -0.457 62.688 63.200 -0.092 0.000 0.811 453 S HN 0.491 nan 8.310 nan 0.000 0.489 454 S N 0.825 116.499 115.700 -0.044 0.000 2.666 454 S HA 0.373 4.843 4.470 -0.000 0.000 0.279 454 S C -0.012 174.553 174.600 -0.059 0.000 1.149 454 S CA -0.762 57.410 58.200 -0.047 0.000 1.020 454 S CB 0.079 63.255 63.200 -0.040 0.000 1.127 454 S HN 0.556 nan 8.310 nan 0.000 0.537 455 E N 0.878 121.029 120.200 -0.081 0.000 2.529 455 E HA -0.095 4.255 4.350 -0.000 0.000 0.259 455 E C -0.880 175.639 176.600 -0.134 0.000 0.966 455 E CA 0.193 56.527 56.400 -0.110 0.000 0.937 455 E CB 0.159 29.776 29.700 -0.138 0.000 0.923 455 E HN 0.524 nan 8.360 nan 0.000 0.468 456 N N 5.873 124.498 118.700 -0.125 0.000 2.531 456 N HA 0.214 4.954 4.740 -0.000 0.000 0.268 456 N C -2.199 173.195 175.510 -0.192 0.000 1.023 456 N CA -2.131 50.846 53.050 -0.122 0.000 0.896 456 N CB 1.615 40.082 38.487 -0.033 0.000 1.233 456 N HN 0.261 nan 8.380 nan 0.000 0.512 457 P HA -0.001 nan 4.420 nan 0.000 0.229 457 P C 0.544 177.585 177.300 -0.431 0.000 1.160 457 P CA 0.526 63.254 63.100 -0.619 0.000 0.777 457 P CB 0.578 31.456 31.700 -1.370 0.000 0.814 458 N N 0.942 119.560 118.700 -0.136 0.000 2.272 458 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 458 N C 1.541 177.192 175.510 0.234 0.000 1.014 458 N CA 0.947 54.106 53.050 0.182 0.000 0.870 458 N CB -0.589 38.040 38.487 0.237 0.000 0.975 458 N HN 0.366 nan 8.380 nan 0.000 0.433 459 E N 0.022 120.278 120.200 0.093 0.000 2.333 459 E HA -0.136 4.213 4.350 -0.000 0.000 0.200 459 E C 1.654 178.313 176.600 0.098 0.000 1.010 459 E CA 0.367 56.827 56.400 0.100 0.000 0.841 459 E CB 0.018 29.736 29.700 0.030 0.000 0.757 459 E HN 0.086 nan 8.360 nan 0.000 0.508 460 V N -0.200 119.703 119.914 -0.018 0.000 2.548 460 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 460 V C 1.239 177.397 176.094 0.107 0.000 1.055 460 V CA 1.487 63.758 62.300 -0.047 0.000 1.065 460 V CB -0.156 31.486 31.823 -0.301 0.000 0.681 460 V HN 0.211 nan 8.190 nan 0.000 0.462 461 F N -0.285 119.946 119.950 0.468 0.000 2.446 461 F HA 0.324 4.850 4.527 -0.000 0.000 0.292 461 F C 1.483 177.590 175.800 0.512 0.000 1.096 461 F CA -0.211 58.127 58.000 0.565 0.000 1.438 461 F CB -0.492 38.936 39.000 0.714 0.000 1.107 461 F HN -0.101 nan 8.300 nan 0.000 0.546 462 R N 1.594 122.399 120.500 0.509 0.000 2.522 462 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 462 R C -1.016 175.431 176.300 0.245 0.000 1.032 462 R CA 0.172 56.334 56.100 0.102 0.000 1.049 462 R CB -0.029 30.267 30.300 -0.007 0.000 0.956 462 R HN 0.191 nan 8.270 nan 0.000 0.422 463 F N 1.858 121.788 119.950 -0.032 0.000 2.692 463 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 463 F C -1.879 173.915 175.800 -0.011 0.000 1.123 463 F CA -1.536 56.497 58.000 0.055 0.000 0.961 463 F CB 0.824 39.953 39.000 0.214 0.000 1.383 463 F HN 0.111 nan 8.300 nan 0.000 0.483 464 L N 2.774 124.089 121.223 0.152 0.000 2.305 464 L HA 0.572 4.911 4.340 -0.000 0.000 0.284 464 L C -0.526 176.391 176.870 0.080 0.000 1.013 464 L CA -0.885 53.957 54.840 0.003 0.000 0.819 464 L CB 1.438 43.513 42.059 0.028 0.000 1.227 464 L HN 0.599 nan 8.230 nan 0.000 0.417 465 V N 3.509 123.382 119.914 -0.069 0.000 2.498 465 V HA 0.261 4.380 4.120 -0.000 0.000 0.279 465 V C 0.374 176.453 176.094 -0.025 0.000 1.048 465 V CA -0.699 61.573 62.300 -0.047 0.000 0.967 465 V CB 1.502 33.257 31.823 -0.114 0.000 0.988 465 V HN 0.746 nan 8.190 nan 0.000 0.473 466 E N 3.784 123.985 120.200 0.002 0.000 2.167 466 E HA 0.325 4.675 4.350 -0.000 0.000 0.284 466 E C -0.757 175.852 176.600 0.016 0.000 1.016 466 E CA -0.509 55.916 56.400 0.043 0.000 0.817 466 E CB 0.965 30.722 29.700 0.095 0.000 1.080 466 E HN 0.690 nan 8.360 nan 0.000 0.397 467 E N 4.077 124.282 120.200 0.008 0.000 2.114 467 E HA 0.190 4.540 4.350 -0.000 0.000 0.266 467 E C -1.285 175.258 176.600 -0.094 0.000 0.896 467 E CA -0.529 55.839 56.400 -0.054 0.000 0.750 467 E CB 0.992 30.656 29.700 -0.059 0.000 1.121 467 E HN 0.296 nan 8.360 nan 0.000 0.413 468 K N 5.820 126.114 120.400 -0.178 0.000 2.307 468 K HA 0.396 4.716 4.320 -0.000 0.000 0.263 468 K C -0.558 175.854 176.600 -0.313 0.000 0.973 468 K CA -0.657 55.405 56.287 -0.374 0.000 0.846 468 K CB 0.546 32.737 32.500 -0.515 0.000 1.100 468 K HN 0.587 nan 8.250 nan 0.000 0.438 469 I N 0.658 121.037 120.570 -0.318 0.000 2.498 469 I HA 0.514 4.683 4.170 -0.000 0.000 0.301 469 I C -0.784 175.154 176.117 -0.299 0.000 0.984 469 I CA -0.921 60.183 61.300 -0.327 0.000 1.204 469 I CB 1.590 39.354 38.000 -0.393 0.000 1.362 469 I HN 0.496 nan 8.210 nan 0.000 0.471 470 K N 4.887 125.120 120.400 -0.279 0.000 2.471 470 K HA 0.386 4.706 4.320 -0.000 0.000 0.252 470 K C -1.229 175.283 176.600 -0.146 0.000 0.938 470 K CA -0.600 55.580 56.287 -0.179 0.000 0.796 470 K CB 1.850 34.267 32.500 -0.139 0.000 1.161 470 K HN 0.934 nan 8.250 nan 0.000 0.425 471 C N 6.524 125.806 119.300 -0.030 0.000 2.619 471 C HA 0.146 4.606 4.460 -0.000 0.000 0.389 471 C C 1.685 176.680 174.990 0.008 0.000 1.314 471 C CA -0.649 58.407 59.018 0.062 0.000 1.678 471 C CB -1.223 26.601 27.740 0.140 0.000 2.398 471 C HN 1.023 nan 8.230 nan 0.000 0.582 472 L N 6.245 127.467 121.223 -0.002 0.000 2.141 472 L HA 0.053 4.393 4.340 -0.000 0.000 0.209 472 L C 2.433 179.298 176.870 -0.009 0.000 1.094 472 L CA 2.405 57.236 54.840 -0.016 0.000 0.763 472 L CB -0.733 41.315 42.059 -0.019 0.000 0.908 472 L HN 0.863 nan 8.230 nan 0.000 0.437 473 A N -1.574 121.244 122.820 -0.003 0.000 1.897 473 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 473 A C 2.198 179.773 177.584 -0.015 0.000 1.181 473 A CA 1.948 53.977 52.037 -0.013 0.000 0.620 473 A CB -0.864 18.121 19.000 -0.024 0.000 0.821 473 A HN 0.511 nan 8.150 nan 0.000 0.443 474 T N -5.253 109.295 114.554 -0.010 0.000 3.040 474 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 474 T C 0.416 175.114 174.700 -0.002 0.000 1.058 474 T CA 0.769 62.863 62.100 -0.010 0.000 0.988 474 T CB 0.251 69.112 68.868 -0.012 0.000 0.993 474 T HN 0.355 nan 8.240 nan 0.000 0.519 475 E N 0.250 120.448 120.200 -0.003 0.000 3.496 475 E HA -0.139 4.211 4.350 -0.000 0.000 0.300 475 E C -0.402 176.198 176.600 0.001 0.000 0.877 475 E CA 0.827 57.224 56.400 -0.005 0.000 1.050 475 E CB -1.536 28.163 29.700 -0.001 0.000 1.532 475 E HN 0.700 nan 8.360 nan 0.000 0.447 476 K N 0.465 120.870 120.400 0.009 0.000 2.118 476 K HA 0.504 4.824 4.320 -0.000 0.000 0.267 476 K C 0.522 177.128 176.600 0.010 0.000 0.991 476 K CA -0.154 56.145 56.287 0.020 0.000 0.916 476 K CB 1.938 34.456 32.500 0.031 0.000 1.041 476 K HN 0.022 nan 8.250 nan 0.000 0.455 477 V N -1.443 118.478 119.914 0.012 0.000 3.001 477 V HA 0.647 4.767 4.120 -0.000 0.000 0.314 477 V C -0.890 175.191 176.094 -0.021 0.000 1.099 477 V CA -0.940 61.330 62.300 -0.050 0.000 0.989 477 V CB 1.872 33.656 31.823 -0.066 0.000 1.040 477 V HN 0.766 nan 8.190 nan 0.000 0.434 478 K N 1.711 122.038 120.400 -0.122 0.000 2.535 478 K HA 0.553 4.872 4.320 -0.000 0.000 0.251 478 K C -2.215 174.296 176.600 -0.150 0.000 0.942 478 K CA -0.593 55.677 56.287 -0.030 0.000 0.798 478 K CB 2.217 34.739 32.500 0.037 0.000 1.267 478 K HN 0.843 nan 8.250 nan 0.000 0.434 479 Y N 1.332 121.634 120.300 0.003 0.000 2.341 479 Y HA 0.321 4.871 4.550 -0.000 0.000 0.337 479 Y C 0.514 176.408 175.900 -0.009 0.000 1.014 479 Y CA -0.444 57.650 58.100 -0.009 0.000 1.111 479 Y CB 2.133 40.588 38.460 -0.008 0.000 1.194 479 Y HN 0.526 nan 8.280 nan 0.000 0.462 480 T N -0.055 114.564 114.554 0.109 0.000 2.907 480 T HA 0.569 4.919 4.350 -0.000 0.000 0.292 480 T C -0.810 173.916 174.700 0.044 0.000 1.043 480 T CA -1.216 60.921 62.100 0.062 0.000 1.003 480 T CB 1.914 70.793 68.868 0.019 0.000 1.084 480 T HN 0.575 nan 8.240 nan 0.000 0.483 481 Q N 0.644 120.455 119.800 0.017 0.000 2.257 481 Q HA 0.643 4.983 4.340 -0.000 0.000 0.262 481 Q C -0.363 175.613 176.000 -0.041 0.000 0.997 481 Q CA -1.081 54.717 55.803 -0.009 0.000 0.873 481 Q CB 2.407 31.139 28.738 -0.009 0.000 1.312 481 Q HN 0.797 nan 8.270 nan 0.000 0.450 482 R N -0.778 119.680 120.500 -0.070 0.000 2.740 482 R HA 0.590 4.929 4.340 -0.000 0.000 0.273 482 R C -1.447 174.759 176.300 -0.158 0.000 0.998 482 R CA -0.712 55.328 56.100 -0.100 0.000 0.900 482 R CB 1.083 31.325 30.300 -0.097 0.000 1.223 482 R HN 0.350 nan 8.270 nan 0.000 0.466 483 V N 2.264 122.074 119.914 -0.174 0.000 2.775 483 V HA 0.268 4.388 4.120 -0.000 0.000 0.299 483 V C -0.075 175.780 176.094 -0.399 0.000 1.062 483 V CA 0.364 62.498 62.300 -0.277 0.000 1.063 483 V CB 1.252 32.955 31.823 -0.201 0.000 0.994 483 V HN 0.815 nan 8.190 nan 0.000 0.483 484 D N 1.037 121.011 120.400 -0.711 0.000 2.643 484 D HA 0.358 4.998 4.640 -0.000 0.000 0.283 484 D C -0.765 175.012 176.300 -0.873 0.000 1.242 484 D CA -0.312 53.262 54.000 -0.709 0.000 0.863 484 D CB 1.855 42.263 40.800 -0.653 0.000 1.382 484 D HN 0.367 nan 8.370 nan 0.000 0.444 485 Y N -0.497 119.764 120.300 -0.064 0.000 2.423 485 Y HA 0.484 5.034 4.550 -0.000 0.000 0.257 485 Y C 0.301 176.432 175.900 0.384 0.000 1.087 485 Y CA -0.025 58.221 58.100 0.243 0.000 1.258 485 Y CB 1.242 39.856 38.460 0.257 0.000 1.237 485 Y HN 0.092 nan 8.280 nan 0.000 0.517 486 I N 1.398 122.219 120.570 0.418 0.000 2.569 486 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 486 I C -0.749 175.594 176.117 0.376 0.000 1.088 486 I CA -1.279 60.220 61.300 0.331 0.000 1.047 486 I CB 2.157 40.256 38.000 0.164 0.000 1.237 486 I HN -0.053 nan 8.210 nan 0.000 0.421 487 M N 4.965 124.765 119.600 0.333 0.000 2.180 487 M HA 0.453 4.933 4.480 -0.000 0.000 0.358 487 M C -0.987 175.395 176.300 0.137 0.000 1.233 487 M CA 0.254 55.701 55.300 0.244 0.000 1.114 487 M CB 0.796 33.450 32.600 0.091 0.000 1.594 487 M HN 0.465 nan 8.290 nan 0.000 0.467 488 Q N 3.609 123.540 119.800 0.219 0.000 2.390 488 Q HA 0.439 4.779 4.340 -0.000 0.000 0.249 488 Q C -1.375 174.753 176.000 0.214 0.000 0.996 488 Q CA -0.617 55.297 55.803 0.185 0.000 0.899 488 Q CB 1.572 30.429 28.738 0.199 0.000 1.216 488 Q HN 0.767 nan 8.270 nan 0.000 0.465 489 L N 6.429 127.719 121.223 0.111 0.000 2.265 489 L HA 0.395 4.735 4.340 -0.000 0.000 0.288 489 L C -2.284 174.644 176.870 0.096 0.000 1.058 489 L CA -1.777 53.127 54.840 0.107 0.000 0.809 489 L CB 0.656 42.742 42.059 0.045 0.000 1.179 489 L HN 0.389 nan 8.230 nan 0.000 0.429 490 P HA 0.059 nan 4.420 nan 0.000 0.274 490 P C -1.147 176.170 177.300 0.028 0.000 1.231 490 P CA -0.220 62.919 63.100 0.064 0.000 0.790 490 P CB 1.533 33.276 31.700 0.073 0.000 0.951 491 V N 2.857 122.772 119.914 0.002 0.000 2.305 491 V HA 0.346 4.466 4.120 -0.000 0.000 0.275 491 V C -2.480 173.615 176.094 0.002 0.000 1.020 491 V CA -2.443 59.856 62.300 -0.003 0.000 0.811 491 V CB 1.094 32.905 31.823 -0.019 0.000 1.031 491 V HN 0.399 nan 8.190 nan 0.000 0.439 492 P HA 0.235 nan 4.420 nan 0.000 0.273 492 P C 0.958 178.261 177.300 0.005 0.000 1.428 492 P CA -0.366 62.738 63.100 0.006 0.000 0.995 492 P CB 1.185 32.885 31.700 -0.000 0.000 1.286 493 M N 1.830 121.436 119.600 0.010 0.000 2.202 493 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 493 M C 1.252 177.557 176.300 0.009 0.000 1.063 493 M CA 1.500 56.806 55.300 0.010 0.000 1.097 493 M CB -1.116 31.494 32.600 0.017 0.000 1.382 493 M HN 0.365 nan 8.290 nan 0.000 0.413 494 D N -0.425 119.980 120.400 0.009 0.000 2.346 494 D HA 0.066 4.705 4.640 -0.000 0.000 0.248 494 D C 0.924 177.225 176.300 0.002 0.000 1.173 494 D CA 0.572 54.576 54.000 0.007 0.000 0.878 494 D CB -0.108 40.697 40.800 0.008 0.000 0.919 494 D HN 0.272 nan 8.370 nan 0.000 0.513 495 A N -0.360 122.460 122.820 -0.000 0.000 2.469 495 A HA 0.562 4.882 4.320 -0.000 0.000 0.245 495 A C 1.224 178.806 177.584 -0.004 0.000 1.221 495 A CA 0.149 52.183 52.037 -0.005 0.000 0.946 495 A CB 0.157 19.151 19.000 -0.010 0.000 1.049 495 A HN 0.346 nan 8.150 nan 0.000 0.529 496 A N 0.116 122.936 122.820 -0.001 0.000 2.565 496 A HA 0.349 4.669 4.320 -0.000 0.000 0.237 496 A C 1.007 178.589 177.584 -0.002 0.000 1.053 496 A CA 0.127 52.164 52.037 -0.001 0.000 0.755 496 A CB -0.114 18.887 19.000 0.001 0.000 0.980 496 A HN 0.497 nan 8.150 nan 0.000 0.506 497 L N 1.355 122.575 121.223 -0.004 0.000 2.341 497 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 497 L C 1.376 178.244 176.870 -0.003 0.000 1.115 497 L CA 1.339 56.176 54.840 -0.004 0.000 0.820 497 L CB -0.317 41.738 42.059 -0.006 0.000 0.944 497 L HN 0.990 nan 8.230 nan 0.000 0.452 498 N N -1.488 117.210 118.700 -0.004 0.000 2.610 498 N HA 0.114 4.853 4.740 -0.000 0.000 0.309 498 N C 0.739 176.252 175.510 0.006 0.000 1.536 498 N CA -0.315 52.734 53.050 -0.001 0.000 0.954 498 N CB 0.503 38.984 38.487 -0.009 0.000 1.310 498 N HN 0.020 nan 8.380 nan 0.000 0.502 499 K N 0.594 120.999 120.400 0.008 0.000 2.044 499 K HA -0.255 4.064 4.320 -0.000 0.000 0.210 499 K C 2.390 179.003 176.600 0.022 0.000 1.049 499 K CA 2.391 58.687 56.287 0.015 0.000 0.927 499 K CB -0.087 32.420 32.500 0.012 0.000 0.713 499 K HN 0.600 nan 8.250 nan 0.000 0.443 500 E N 1.537 121.748 120.200 0.019 0.000 2.047 500 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 500 E C 1.800 178.419 176.600 0.032 0.000 0.987 500 E CA 1.580 57.994 56.400 0.022 0.000 0.799 500 E CB -0.603 29.107 29.700 0.016 0.000 0.752 500 E HN 0.403 nan 8.360 nan 0.000 0.449 501 E N 0.250 120.467 120.200 0.029 0.000 2.209 501 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 501 E C 2.002 178.641 176.600 0.066 0.000 0.993 501 E CA 0.760 57.182 56.400 0.037 0.000 0.819 501 E CB -0.168 29.543 29.700 0.017 0.000 0.745 501 E HN 0.529 nan 8.360 nan 0.000 0.477 502 L N -0.160 121.100 121.223 0.062 0.000 2.095 502 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 502 L C 1.986 178.942 176.870 0.143 0.000 1.080 502 L CA 0.791 55.691 54.840 0.100 0.000 0.759 502 L CB -0.059 42.036 42.059 0.060 0.000 0.914 502 L HN 0.209 nan 8.230 nan 0.000 0.439 503 L N -0.431 120.842 121.223 0.085 0.000 2.083 503 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 503 L C 2.452 179.355 176.870 0.055 0.000 1.083 503 L CA 1.079 55.955 54.840 0.061 0.000 0.752 503 L CB -0.400 41.681 42.059 0.037 0.000 0.899 503 L HN 0.298 nan 8.230 nan 0.000 0.433 504 E N -0.105 120.134 120.200 0.066 0.000 2.077 504 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 504 E C 2.048 178.694 176.600 0.076 0.000 0.989 504 E CA 1.536 57.970 56.400 0.058 0.000 0.800 504 E CB -0.300 29.435 29.700 0.058 0.000 0.746 504 E HN 0.450 nan 8.360 nan 0.000 0.452 505 Y N 1.076 121.377 120.300 0.002 0.000 2.133 505 Y HA -0.094 4.455 4.550 -0.000 0.000 0.287 505 Y C 1.951 177.853 175.900 0.003 0.000 1.134 505 Y CA 2.189 60.290 58.100 0.002 0.000 1.133 505 Y CB -0.291 38.170 38.460 0.002 0.000 0.987 505 Y HN 0.057 nan 8.280 nan 0.000 0.502 506 E N -0.007 120.154 120.200 -0.065 0.000 2.160 506 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 506 E C 2.130 178.622 176.600 -0.180 0.000 0.991 506 E CA 1.450 57.752 56.400 -0.163 0.000 0.810 506 E CB -0.117 29.598 29.700 0.026 0.000 0.742 506 E HN 0.652 nan 8.360 nan 0.000 0.466 507 E N 0.797 120.931 120.200 -0.109 0.000 2.076 507 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 507 E C 1.878 178.412 176.600 -0.110 0.000 0.979 507 E CA 0.660 57.010 56.400 -0.083 0.000 0.807 507 E CB 0.202 29.879 29.700 -0.038 0.000 0.761 507 E HN 0.027 nan 8.360 nan 0.000 0.454 508 K N 0.126 120.448 120.400 -0.130 0.000 2.057 508 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 508 K C 2.485 178.978 176.600 -0.178 0.000 1.049 508 K CA 1.817 58.031 56.287 -0.122 0.000 0.931 508 K CB -0.104 32.346 32.500 -0.084 0.000 0.714 508 K HN 0.009 nan 8.250 nan 0.000 0.440 509 K N 1.400 121.600 120.400 -0.334 0.000 2.148 509 K HA -0.151 4.168 4.320 -0.000 0.000 0.204 509 K C 1.895 178.387 176.600 -0.180 0.000 1.050 509 K CA 1.570 57.665 56.287 -0.319 0.000 0.942 509 K CB -0.508 31.651 32.500 -0.568 0.000 0.724 509 K HN 0.189 nan 8.250 nan 0.000 0.446 510 R N 0.114 120.520 120.500 -0.156 0.000 2.073 510 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 510 R C 2.624 178.884 176.300 -0.066 0.000 1.134 510 R CA 2.025 58.070 56.100 -0.091 0.000 0.952 510 R CB -0.156 30.100 30.300 -0.073 0.000 0.850 510 R HN 0.683 nan 8.270 nan 0.000 0.433 511 Q N -0.752 119.008 119.800 -0.067 0.000 2.123 511 Q HA -0.046 4.294 4.340 -0.000 0.000 0.199 511 Q C 2.098 178.073 176.000 -0.042 0.000 0.966 511 Q CA 1.334 57.109 55.803 -0.047 0.000 0.845 511 Q CB -0.002 28.712 28.738 -0.041 0.000 0.907 511 Q HN 0.422 nan 8.270 nan 0.000 0.439 512 A N 1.321 124.109 122.820 -0.053 0.000 1.908 512 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 512 A C 2.168 179.732 177.584 -0.034 0.000 1.181 512 A CA 2.084 54.097 52.037 -0.041 0.000 0.627 512 A CB -1.156 17.816 19.000 -0.047 0.000 0.818 512 A HN 0.498 nan 8.150 nan 0.000 0.445 513 E N -0.063 120.113 120.200 -0.040 0.000 2.058 513 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 513 E C 1.844 178.430 176.600 -0.024 0.000 0.997 513 E CA 1.622 58.005 56.400 -0.029 0.000 0.801 513 E CB -0.704 28.977 29.700 -0.030 0.000 0.746 513 E HN 0.660 nan 8.360 nan 0.000 0.450 514 E N -0.334 119.851 120.200 -0.025 0.000 2.153 514 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 514 E C 1.924 178.513 176.600 -0.019 0.000 0.988 514 E CA 1.448 57.836 56.400 -0.020 0.000 0.811 514 E CB -0.020 29.668 29.700 -0.019 0.000 0.746 514 E HN 0.567 nan 8.360 nan 0.000 0.466 515 E N -0.071 120.117 120.200 -0.020 0.000 2.479 515 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 515 E C 0.154 176.744 176.600 -0.017 0.000 1.049 515 E CA 0.917 57.307 56.400 -0.017 0.000 0.870 515 E CB -0.042 29.649 29.700 -0.015 0.000 0.944 515 E HN 0.196 nan 8.360 nan 0.000 0.492 516 K N 0.003 120.391 120.400 -0.021 0.000 3.244 516 K HA -0.249 4.071 4.320 -0.000 0.000 0.270 516 K C -0.016 176.576 176.600 -0.013 0.000 1.016 516 K CA 1.657 57.931 56.287 -0.021 0.000 0.754 516 K CB -2.845 29.636 32.500 -0.032 0.000 1.326 516 K HN 0.254 nan 8.250 nan 0.000 0.465 517 M N -0.417 119.176 119.600 -0.011 0.000 2.761 517 M HA 0.716 5.196 4.480 -0.000 0.000 0.305 517 M C 0.897 177.196 176.300 -0.002 0.000 1.235 517 M CA -0.460 54.836 55.300 -0.007 0.000 0.850 517 M CB 2.362 34.956 32.600 -0.009 0.000 1.744 517 M HN 0.739 nan 8.290 nan 0.000 0.480 518 A N 1.739 124.560 122.820 0.003 0.000 2.546 518 A HA 0.341 4.661 4.320 -0.000 0.000 0.243 518 A C -0.330 177.259 177.584 0.008 0.000 1.063 518 A CA -0.056 51.987 52.037 0.009 0.000 0.757 518 A CB -0.416 18.591 19.000 0.012 0.000 0.991 518 A HN 0.741 nan 8.150 nan 0.000 0.503 519 L N 3.831 125.063 121.223 0.015 0.000 2.472 519 L HA 0.323 4.663 4.340 -0.000 0.000 0.260 519 L C -1.385 175.509 176.870 0.040 0.000 1.209 519 L CA -1.467 53.381 54.840 0.013 0.000 0.817 519 L CB 0.162 42.236 42.059 0.026 0.000 1.106 519 L HN 0.595 nan 8.230 nan 0.000 0.479 520 P HA 0.108 nan 4.420 nan 0.000 0.278 520 P C -0.784 176.628 177.300 0.187 0.000 1.258 520 P CA -0.681 62.480 63.100 0.102 0.000 0.811 520 P CB 0.515 32.268 31.700 0.088 0.000 1.063 521 E N 0.458 120.739 120.200 0.135 0.000 2.900 521 E HA -0.115 4.235 4.350 -0.000 0.000 0.259 521 E C 0.031 176.703 176.600 0.120 0.000 0.918 521 E CA 0.325 56.786 56.400 0.101 0.000 0.960 521 E CB 0.102 29.836 29.700 0.057 0.000 0.908 521 E HN 0.319 nan 8.360 nan 0.000 0.511 522 L N 4.748 125.983 121.223 0.021 0.000 2.499 522 L HA -0.020 4.320 4.340 -0.000 0.000 0.273 522 L C -0.644 175.977 176.870 -0.416 0.000 1.195 522 L CA 0.311 55.028 54.840 -0.204 0.000 0.882 522 L CB 0.715 42.706 42.059 -0.113 0.000 1.133 522 L HN 0.177 nan 8.230 nan 0.000 0.483 523 V N 6.546 125.894 119.914 -0.943 0.000 2.531 523 V HA 0.546 4.665 4.120 -0.000 0.000 0.301 523 V C 0.096 175.880 176.094 -0.517 0.000 1.034 523 V CA -0.709 61.224 62.300 -0.611 0.000 0.865 523 V CB 1.699 33.224 31.823 -0.496 0.000 0.995 523 V HN 0.755 nan 8.190 nan 0.000 0.424 524 R N 2.297 122.644 120.500 -0.255 0.000 2.668 524 R HA 0.787 5.127 4.340 -0.000 0.000 0.279 524 R C 0.033 176.279 176.300 -0.090 0.000 0.976 524 R CA -0.543 55.468 56.100 -0.149 0.000 0.978 524 R CB 1.855 32.095 30.300 -0.100 0.000 1.133 524 R HN 0.832 nan 8.270 nan 0.000 0.484 525 A N 1.778 124.568 122.820 -0.050 0.000 2.477 525 A HA 0.032 4.352 4.320 -0.000 0.000 0.246 525 A C -0.338 177.230 177.584 -0.026 0.000 1.078 525 A CA 0.162 52.184 52.037 -0.026 0.000 0.770 525 A CB 0.363 19.358 19.000 -0.007 0.000 1.011 525 A HN 0.655 nan 8.150 nan 0.000 0.494 526 Q N 2.102 121.889 119.800 -0.021 0.000 2.394 526 Q HA 0.521 4.861 4.340 -0.000 0.000 0.259 526 Q C -1.647 174.346 176.000 -0.011 0.000 1.021 526 Q CA -0.348 55.443 55.803 -0.020 0.000 0.805 526 Q CB 1.258 29.982 28.738 -0.024 0.000 1.226 526 Q HN 0.549 nan 8.270 nan 0.000 0.476 527 V N 6.222 126.132 119.914 -0.006 0.000 2.409 527 V HA 0.414 4.533 4.120 -0.000 0.000 0.291 527 V C -2.263 173.838 176.094 0.011 0.000 1.020 527 V CA -2.002 60.298 62.300 0.000 0.000 0.848 527 V CB 1.560 33.384 31.823 0.002 0.000 0.990 527 V HN 0.742 nan 8.190 nan 0.000 0.430 528 P HA 0.122 nan 4.420 nan 0.000 0.271 528 P C 0.456 177.783 177.300 0.045 0.000 1.216 528 P CA -0.200 62.914 63.100 0.023 0.000 0.771 528 P CB 0.485 32.184 31.700 -0.002 0.000 0.864 529 F N 3.601 123.506 119.950 -0.074 0.000 2.134 529 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 529 F C 2.127 177.883 175.800 -0.074 0.000 1.097 529 F CA 2.309 60.252 58.000 -0.094 0.000 1.264 529 F CB -0.923 38.000 39.000 -0.127 0.000 1.001 529 F HN 0.317 nan 8.300 nan 0.000 0.479 530 S N -0.772 114.761 115.700 -0.279 0.000 2.420 530 S HA -0.209 4.261 4.470 -0.000 0.000 0.237 530 S C 2.052 176.498 174.600 -0.256 0.000 1.023 530 S CA 1.501 59.500 58.200 -0.335 0.000 0.991 530 S CB -1.049 62.070 63.200 -0.136 0.000 0.792 530 S HN 0.428 nan 8.310 nan 0.000 0.488 531 S N 0.733 116.335 115.700 -0.163 0.000 2.395 531 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 531 S C 2.086 176.618 174.600 -0.113 0.000 1.027 531 S CA 0.859 58.995 58.200 -0.106 0.000 0.965 531 S CB -0.702 62.465 63.200 -0.054 0.000 0.812 531 S HN 0.732 nan 8.310 nan 0.000 0.482 532 C N 1.450 120.663 119.300 -0.146 0.000 2.453 532 C HA 0.066 4.525 4.460 -0.000 0.000 0.277 532 C C 2.506 177.405 174.990 -0.152 0.000 1.262 532 C CA 0.296 59.249 59.018 -0.109 0.000 1.718 532 C CB -1.415 26.296 27.740 -0.047 0.000 2.031 532 C HN 0.516 nan 8.230 nan 0.000 0.480 533 L N 0.927 121.912 121.223 -0.397 0.000 2.017 533 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 533 L C 2.940 179.750 176.870 -0.100 0.000 1.073 533 L CA 2.135 56.772 54.840 -0.338 0.000 0.745 533 L CB -0.722 40.968 42.059 -0.616 0.000 0.894 533 L HN 0.527 nan 8.230 nan 0.000 0.432 534 E N 0.211 120.334 120.200 -0.128 0.000 2.150 534 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 534 E C 1.978 178.570 176.600 -0.012 0.000 0.985 534 E CA 1.146 57.514 56.400 -0.054 0.000 0.814 534 E CB 0.001 29.659 29.700 -0.070 0.000 0.752 534 E HN 0.477 nan 8.360 nan 0.000 0.466 535 A N 0.775 123.588 122.820 -0.012 0.000 1.902 535 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 535 A C 2.083 179.684 177.584 0.027 0.000 1.181 535 A CA 1.388 53.427 52.037 0.004 0.000 0.623 535 A CB -1.115 17.888 19.000 0.005 0.000 0.818 535 A HN 0.559 nan 8.150 nan 0.000 0.443 536 Y N 0.688 120.962 120.300 -0.044 0.000 2.151 536 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 536 Y C 2.275 178.169 175.900 -0.011 0.000 1.166 536 Y CA 1.900 59.988 58.100 -0.020 0.000 1.163 536 Y CB -0.421 38.035 38.460 -0.006 0.000 0.974 536 Y HN 0.240 nan 8.280 nan 0.000 0.511 537 G N -0.746 108.123 108.800 0.114 0.000 2.986 537 G HA2 0.276 4.236 3.960 -0.000 0.000 0.213 537 G HA3 0.276 4.236 3.960 -0.000 0.000 0.213 537 G C 0.321 175.215 174.900 -0.011 0.000 1.156 537 G CA 0.182 45.317 45.100 0.058 0.000 0.763 537 G HN 0.573 nan 8.290 nan 0.000 0.547 538 A N 1.844 124.648 122.820 -0.027 0.000 2.511 538 A HA 0.502 4.822 4.320 -0.000 0.000 0.242 538 A C -1.692 175.856 177.584 -0.060 0.000 1.069 538 A CA -0.856 51.160 52.037 -0.035 0.000 0.763 538 A CB 0.089 19.070 19.000 -0.032 0.000 1.001 538 A HN 0.199 nan 8.150 nan 0.000 0.498 539 P HA 0.108 nan 4.420 nan 0.000 0.266 539 P C -0.617 176.643 177.300 -0.067 0.000 1.195 539 P CA 0.308 63.367 63.100 -0.068 0.000 0.768 539 P CB 0.501 32.168 31.700 -0.055 0.000 0.838 540 E N 1.346 121.497 120.200 -0.082 0.000 2.266 540 E HA 0.329 4.679 4.350 -0.000 0.000 0.268 540 E C -0.811 175.745 176.600 -0.073 0.000 0.879 540 E CA -1.159 55.200 56.400 -0.069 0.000 0.762 540 E CB 1.623 31.281 29.700 -0.071 0.000 1.199 540 E HN 0.379 nan 8.360 nan 0.000 0.422 541 Q N 2.080 121.849 119.800 -0.051 0.000 2.288 541 Q HA 0.328 4.668 4.340 -0.000 0.000 0.254 541 Q C -1.274 174.703 176.000 -0.040 0.000 0.932 541 Q CA -0.600 55.175 55.803 -0.047 0.000 0.902 541 Q CB 1.328 30.051 28.738 -0.025 0.000 1.203 541 Q HN 0.503 nan 8.270 nan 0.000 0.415 542 V N 4.736 124.620 119.914 -0.049 0.000 2.409 542 V HA 0.229 4.349 4.120 -0.000 0.000 0.290 542 V C -0.745 175.370 176.094 0.035 0.000 1.017 542 V CA -0.920 61.366 62.300 -0.025 0.000 0.841 542 V CB 1.598 33.373 31.823 -0.080 0.000 1.003 542 V HN 0.838 nan 8.190 nan 0.000 0.426 543 D N 2.750 123.186 120.400 0.061 0.000 2.354 543 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 543 D C 0.589 176.974 176.300 0.141 0.000 1.138 543 D CA 0.169 54.222 54.000 0.089 0.000 0.958 543 D CB 0.751 41.591 40.800 0.066 0.000 1.144 543 D HN 0.743 nan 8.370 nan 0.000 0.458 544 D N -0.285 120.206 120.400 0.152 0.000 2.746 544 D HA -0.249 4.391 4.640 -0.000 0.000 0.236 544 D C -1.141 175.314 176.300 0.259 0.000 1.129 544 D CA 0.286 54.389 54.000 0.172 0.000 0.691 544 D CB -1.518 39.362 40.800 0.134 0.000 1.077 544 D HN 0.228 nan 8.370 nan 0.000 0.432 545 F N 0.911 120.928 119.950 0.111 0.000 2.410 545 F HA 0.468 4.995 4.527 -0.000 0.000 0.349 545 F C -0.241 175.681 175.800 0.204 0.000 1.117 545 F CA -1.051 57.034 58.000 0.142 0.000 1.104 545 F CB 0.703 39.744 39.000 0.068 0.000 1.122 545 F HN 0.131 nan 8.300 nan 0.000 0.483 546 W N 7.440 128.374 121.300 -0.611 0.000 2.345 546 W HA 0.304 4.964 4.660 -0.000 0.000 0.308 546 W C -0.790 175.107 176.519 -1.037 0.000 1.273 546 W CA -0.451 56.566 57.345 -0.547 0.000 1.243 546 W CB 1.357 30.730 29.460 -0.145 0.000 1.260 546 W HN 0.555 nan 8.180 nan 0.000 0.509 547 S N 3.930 118.950 115.700 -1.133 0.000 2.422 547 S HA 0.128 4.597 4.470 -0.000 0.000 0.308 547 S C 1.285 175.444 174.600 -0.736 0.000 1.097 547 S CA -0.121 57.635 58.200 -0.739 0.000 1.099 547 S CB 1.097 64.081 63.200 -0.359 0.000 0.976 547 S HN 0.556 nan 8.310 nan 0.000 0.471 548 T N 2.776 117.140 114.554 -0.317 0.000 3.072 548 T HA 0.084 4.434 4.350 -0.000 0.000 0.266 548 T C 1.710 176.351 174.700 -0.099 0.000 1.127 548 T CA 0.712 62.745 62.100 -0.111 0.000 1.107 548 T CB -0.197 68.727 68.868 0.093 0.000 0.910 548 T HN 0.613 nan 8.240 nan 0.000 0.513 549 A N 1.245 123.997 122.820 -0.113 0.000 1.874 549 A HA 0.320 4.640 4.320 -0.000 0.000 0.214 549 A C 2.157 179.667 177.584 -0.124 0.000 1.189 549 A CA 0.701 52.693 52.037 -0.075 0.000 0.615 549 A CB -0.632 18.345 19.000 -0.037 0.000 0.830 549 A HN 0.421 nan 8.150 nan 0.000 0.443 550 L N -0.733 120.363 121.223 -0.210 0.000 2.270 550 L HA 0.027 4.367 4.340 -0.000 0.000 0.210 550 L C 0.830 177.502 176.870 -0.329 0.000 1.104 550 L CA 1.475 56.168 54.840 -0.246 0.000 0.804 550 L CB -0.864 41.029 42.059 -0.277 0.000 0.937 550 L HN 0.592 nan 8.230 nan 0.000 0.450 551 Q N -1.314 118.199 119.800 -0.478 0.000 2.475 551 Q HA -0.201 4.139 4.340 -0.000 0.000 0.280 551 Q C 0.006 175.482 176.000 -0.874 0.000 1.234 551 Q CA 0.512 55.987 55.803 -0.547 0.000 0.873 551 Q CB -1.996 26.681 28.738 -0.103 0.000 1.256 551 Q HN 0.507 nan 8.270 nan 0.000 0.475 552 A N -0.299 121.758 122.820 -1.271 0.000 2.602 552 A HA 0.663 4.982 4.320 -0.000 0.000 0.290 552 A C -1.009 176.092 177.584 -0.804 0.000 1.114 552 A CA -1.001 50.484 52.037 -0.920 0.000 0.683 552 A CB 1.158 19.939 19.000 -0.364 0.000 1.281 552 A HN 0.009 nan 8.150 nan 0.000 0.416 553 K N 0.863 121.136 120.400 -0.212 0.000 2.350 553 K HA 0.513 4.833 4.320 -0.000 0.000 0.279 553 K C 0.137 176.699 176.600 -0.062 0.000 1.027 553 K CA 0.330 56.609 56.287 -0.013 0.000 0.969 553 K CB 1.212 33.794 32.500 0.136 0.000 0.954 553 K HN 0.707 nan 8.250 nan 0.000 0.474 554 S N 1.006 116.703 115.700 -0.006 0.000 3.121 554 S HA 0.531 5.001 4.470 -0.000 0.000 0.324 554 S C -1.466 173.217 174.600 0.139 0.000 1.192 554 S CA -0.693 57.530 58.200 0.038 0.000 0.937 554 S CB 1.186 64.387 63.200 0.001 0.000 1.336 554 S HN 0.187 nan 8.310 nan 0.000 0.664 555 V N 1.521 121.511 119.914 0.128 0.000 2.540 555 V HA 0.836 4.956 4.120 -0.000 0.000 0.302 555 V C 0.030 176.163 176.094 0.065 0.000 1.035 555 V CA -0.265 62.096 62.300 0.102 0.000 0.873 555 V CB 0.941 32.790 31.823 0.043 0.000 0.992 555 V HN 0.984 nan 8.190 nan 0.000 0.428 556 A N 4.650 127.446 122.820 -0.039 0.000 2.306 556 A HA 0.865 5.185 4.320 -0.000 0.000 0.330 556 A C -0.807 176.652 177.584 -0.208 0.000 1.146 556 A CA -0.543 51.322 52.037 -0.286 0.000 0.827 556 A CB 1.599 20.102 19.000 -0.828 0.000 1.178 556 A HN 0.658 nan 8.150 nan 0.000 0.490 557 V N 2.311 122.097 119.914 -0.214 0.000 2.357 557 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 557 V C 0.079 176.051 176.094 -0.203 0.000 1.018 557 V CA -0.461 61.740 62.300 -0.164 0.000 0.841 557 V CB 1.181 32.935 31.823 -0.115 0.000 0.991 557 V HN 0.896 nan 8.190 nan 0.000 0.437 558 K N 3.003 123.291 120.400 -0.186 0.000 2.206 558 K HA 0.681 5.001 4.320 -0.000 0.000 0.264 558 K C -0.591 175.915 176.600 -0.158 0.000 0.967 558 K CA -0.242 55.931 56.287 -0.192 0.000 0.844 558 K CB 1.358 33.749 32.500 -0.181 0.000 1.099 558 K HN 0.726 nan 8.250 nan 0.000 0.441 559 T N 1.779 116.238 114.554 -0.159 0.000 2.876 559 T HA 0.290 4.640 4.350 -0.000 0.000 0.289 559 T C -0.875 173.744 174.700 -0.135 0.000 1.014 559 T CA -0.709 61.311 62.100 -0.132 0.000 0.986 559 T CB 1.637 70.449 68.868 -0.095 0.000 1.021 559 T HN 0.681 nan 8.240 nan 0.000 0.458 560 T N 2.236 116.693 114.554 -0.161 0.000 2.885 560 T HA 0.819 5.169 4.350 -0.000 0.000 0.285 560 T C -0.800 173.856 174.700 -0.073 0.000 1.019 560 T CA -0.860 61.147 62.100 -0.155 0.000 1.010 560 T CB 1.085 69.805 68.868 -0.247 0.000 1.022 560 T HN 0.413 nan 8.240 nan 0.000 0.466 561 R N 1.535 122.026 120.500 -0.015 0.000 2.810 561 R HA 0.438 4.778 4.340 -0.000 0.000 0.266 561 R C -1.508 174.805 176.300 0.021 0.000 1.061 561 R CA -0.771 55.387 56.100 0.097 0.000 0.943 561 R CB 0.934 31.318 30.300 0.139 0.000 1.237 561 R HN 0.677 nan 8.270 nan 0.000 0.459 562 F N 0.511 120.517 119.950 0.092 0.000 2.391 562 F HA 0.342 4.869 4.527 -0.000 0.000 0.359 562 F C 1.257 176.957 175.800 -0.167 0.000 1.122 562 F CA -0.185 57.797 58.000 -0.029 0.000 1.120 562 F CB 1.629 40.466 39.000 -0.272 0.000 1.142 562 F HN 0.721 nan 8.300 nan 0.000 0.483 563 A N 2.341 125.202 122.820 0.069 0.000 2.123 563 A HA 0.205 4.525 4.320 -0.000 0.000 0.214 563 A C 0.697 178.253 177.584 -0.047 0.000 1.152 563 A CA 0.921 52.958 52.037 -0.000 0.000 0.728 563 A CB -0.264 18.747 19.000 0.019 0.000 0.814 563 A HN 0.620 nan 8.150 nan 0.000 0.464 564 S N -1.982 113.711 115.700 -0.012 0.000 2.570 564 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 564 S C -1.065 173.505 174.600 -0.050 0.000 1.149 564 S CA -0.735 57.433 58.200 -0.053 0.000 0.837 564 S CB 0.745 64.002 63.200 0.096 0.000 1.124 564 S HN 0.137 nan 8.310 nan 0.000 0.465 565 F N 2.262 122.308 119.950 0.159 0.000 2.426 565 F HA 0.573 5.100 4.527 -0.000 0.000 0.348 565 F C -2.153 173.737 175.800 0.149 0.000 1.124 565 F CA -2.123 55.919 58.000 0.070 0.000 1.008 565 F CB 2.430 41.424 39.000 -0.010 0.000 1.139 565 F HN 0.403 nan 8.300 nan 0.000 0.452 566 P HA 0.136 nan 4.420 nan 0.000 0.276 566 P C -0.257 177.261 177.300 0.363 0.000 1.252 566 P CA -0.263 63.062 63.100 0.375 0.000 0.802 566 P CB 1.349 33.318 31.700 0.448 0.000 1.035 567 D N -0.705 119.869 120.400 0.291 0.000 2.149 567 D HA -0.127 4.512 4.640 -0.000 0.000 0.198 567 D C -0.083 176.324 176.300 0.178 0.000 0.990 567 D CA 1.974 56.094 54.000 0.200 0.000 0.839 567 D CB -0.395 40.554 40.800 0.250 0.000 0.948 567 D HN 0.447 nan 8.370 nan 0.000 0.460 568 Y N -0.511 119.998 120.300 0.349 0.000 2.327 568 Y HA 0.306 4.856 4.550 -0.000 0.000 0.325 568 Y C -0.604 175.587 175.900 0.485 0.000 0.999 568 Y CA -1.219 57.147 58.100 0.443 0.000 1.195 568 Y CB 1.478 40.217 38.460 0.465 0.000 1.132 568 Y HN -0.225 nan 8.280 nan 0.000 0.455 569 L N 5.186 126.599 121.223 0.317 0.000 2.281 569 L HA 0.553 4.893 4.340 -0.000 0.000 0.285 569 L C -0.932 175.991 176.870 0.088 0.000 1.074 569 L CA -0.347 54.507 54.840 0.023 0.000 0.817 569 L CB 0.684 42.355 42.059 -0.646 0.000 1.168 569 L HN 0.366 nan 8.230 nan 0.000 0.434 570 V N 7.366 127.307 119.914 0.046 0.000 2.370 570 V HA 0.427 4.547 4.120 -0.000 0.000 0.279 570 V C 0.216 176.205 176.094 -0.174 0.000 1.029 570 V CA -0.344 61.794 62.300 -0.271 0.000 0.870 570 V CB 1.132 32.655 31.823 -0.500 0.000 0.984 570 V HN 0.601 nan 8.190 nan 0.000 0.451 571 I N 4.718 125.177 120.570 -0.184 0.000 2.406 571 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 571 I C -0.124 175.943 176.117 -0.084 0.000 0.999 571 I CA -0.406 60.850 61.300 -0.074 0.000 1.124 571 I CB 1.848 39.837 38.000 -0.018 0.000 1.289 571 I HN 0.625 nan 8.210 nan 0.000 0.441 572 Q N 6.989 126.744 119.800 -0.075 0.000 2.314 572 Q HA 0.396 4.736 4.340 -0.000 0.000 0.259 572 Q C -0.946 175.053 176.000 -0.003 0.000 0.951 572 Q CA -0.800 54.933 55.803 -0.117 0.000 0.909 572 Q CB 1.249 29.920 28.738 -0.112 0.000 1.236 572 Q HN 0.498 nan 8.270 nan 0.000 0.444 573 I N 4.019 124.630 120.570 0.069 0.000 2.452 573 I HA 0.038 4.208 4.170 -0.000 0.000 0.287 573 I C 0.456 176.571 176.117 -0.003 0.000 1.079 573 I CA 0.086 61.443 61.300 0.094 0.000 1.387 573 I CB 0.596 38.711 38.000 0.192 0.000 1.404 573 I HN 0.675 nan 8.210 nan 0.000 0.522 574 K N 6.313 126.627 120.400 -0.143 0.000 3.000 574 K HA 0.019 4.339 4.320 -0.000 0.000 0.265 574 K C 0.493 176.661 176.600 -0.721 0.000 1.260 574 K CA -0.063 55.933 56.287 -0.486 0.000 1.209 574 K CB -0.377 32.015 32.500 -0.180 0.000 1.484 574 K HN 0.439 nan 8.250 nan 0.000 0.283 575 K N 1.557 121.574 120.400 -0.640 0.000 3.006 575 K HA 0.148 4.468 4.320 -0.000 0.000 0.265 575 K C -0.782 175.602 176.600 -0.360 0.000 1.279 575 K CA -0.392 55.672 56.287 -0.371 0.000 1.229 575 K CB -0.420 32.000 32.500 -0.134 0.000 1.555 575 K HN 0.035 nan 8.250 nan 0.000 0.300 576 F N -2.662 117.283 119.950 -0.010 0.000 2.711 576 F HA 0.756 5.283 4.527 -0.000 0.000 0.313 576 F C -0.546 175.209 175.800 -0.074 0.000 1.141 576 F CA -1.240 56.718 58.000 -0.070 0.000 0.941 576 F CB 1.413 40.342 39.000 -0.119 0.000 1.349 576 F HN 0.002 nan 8.300 nan 0.000 0.464 577 T N -0.418 114.236 114.554 0.167 0.000 2.677 577 T HA 0.558 4.908 4.350 -0.000 0.000 0.305 577 T C -2.240 172.414 174.700 -0.077 0.000 1.569 577 T CA -0.792 61.345 62.100 0.061 0.000 0.984 577 T CB 0.732 69.666 68.868 0.110 0.000 1.629 577 T HN 0.532 nan 8.240 nan 0.000 0.494 578 F N 1.339 121.385 119.950 0.160 0.000 2.410 578 F HA 0.606 5.133 4.527 -0.000 0.000 0.349 578 F C 1.292 177.119 175.800 0.046 0.000 1.117 578 F CA -0.086 58.004 58.000 0.151 0.000 1.104 578 F CB 1.526 40.704 39.000 0.297 0.000 1.122 578 F HN 0.698 nan 8.300 nan 0.000 0.483 579 G N 1.798 110.726 108.800 0.213 0.000 2.525 579 G HA2 0.542 4.502 3.960 -0.000 0.000 0.287 579 G HA3 0.542 4.502 3.960 -0.000 0.000 0.287 579 G C -0.472 174.409 174.900 -0.030 0.000 1.350 579 G CA -0.671 44.473 45.100 0.073 0.000 1.039 579 G HN 0.786 nan 8.290 nan 0.000 0.513 580 L N -0.832 120.347 121.223 -0.074 0.000 2.485 580 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 580 L C 1.147 177.929 176.870 -0.145 0.000 1.207 580 L CA 0.930 55.676 54.840 -0.156 0.000 0.855 580 L CB -0.713 41.285 42.059 -0.103 0.000 1.114 580 L HN 0.851 nan 8.230 nan 0.000 0.485 581 D N 0.185 120.426 120.400 -0.264 0.000 3.090 581 D HA -0.246 4.394 4.640 -0.000 0.000 0.215 581 D C 0.234 176.533 176.300 -0.001 0.000 1.140 581 D CA 1.599 55.508 54.000 -0.151 0.000 0.937 581 D CB -1.362 39.423 40.800 -0.026 0.000 1.108 581 D HN 1.255 nan 8.370 nan 0.000 0.420 582 W N -1.959 119.356 121.300 0.025 0.000 4.551 582 W HA -0.278 4.381 4.660 -0.000 0.000 0.343 582 W C 0.755 177.406 176.519 0.221 0.000 1.269 582 W CA 0.411 57.779 57.345 0.039 0.000 0.799 582 W CB -2.061 27.302 29.460 -0.161 0.000 2.352 582 W HN 0.266 nan 8.180 nan 0.000 1.462 583 V N 1.568 121.669 119.914 0.311 0.000 2.488 583 V HA 0.434 4.554 4.120 -0.000 0.000 0.277 583 V C -1.385 174.859 176.094 0.249 0.000 1.046 583 V CA -1.978 60.463 62.300 0.235 0.000 0.986 583 V CB 0.870 32.764 31.823 0.118 0.000 0.989 583 V HN -0.172 nan 8.190 nan 0.000 0.475 584 P HA 0.309 nan 4.420 nan 0.000 0.275 584 P C -1.298 175.996 177.300 -0.009 0.000 1.227 584 P CA -0.158 62.931 63.100 -0.020 0.000 0.781 584 P CB 0.471 32.087 31.700 -0.139 0.000 0.906 585 K N 2.495 122.887 120.400 -0.013 0.000 2.397 585 K HA 0.309 4.629 4.320 -0.000 0.000 0.253 585 K C -0.590 176.033 176.600 0.039 0.000 0.932 585 K CA -0.920 55.382 56.287 0.023 0.000 0.795 585 K CB 1.378 33.905 32.500 0.045 0.000 1.159 585 K HN 0.245 nan 8.250 nan 0.000 0.424 586 K N 5.416 125.835 120.400 0.031 0.000 2.322 586 K HA 0.163 4.482 4.320 -0.000 0.000 0.283 586 K C -0.645 175.973 176.600 0.029 0.000 1.042 586 K CA -0.393 55.915 56.287 0.035 0.000 0.958 586 K CB 0.537 33.043 32.500 0.010 0.000 0.984 586 K HN 0.580 nan 8.250 nan 0.000 0.473 587 L N 4.358 125.590 121.223 0.015 0.000 2.342 587 L HA 0.089 4.429 4.340 -0.000 0.000 0.285 587 L C -0.060 176.811 176.870 0.001 0.000 1.095 587 L CA -0.415 54.428 54.840 0.006 0.000 0.843 587 L CB 0.569 42.620 42.059 -0.014 0.000 1.201 587 L HN 0.687 nan 8.230 nan 0.000 0.445 588 D N 3.893 124.300 120.400 0.011 0.000 2.453 588 D HA 0.303 4.943 4.640 -0.000 0.000 0.223 588 D C -0.631 175.665 176.300 -0.006 0.000 1.183 588 D CA 0.020 54.024 54.000 0.007 0.000 0.933 588 D CB 0.649 41.456 40.800 0.011 0.000 1.038 588 D HN 0.034 nan 8.370 nan 0.000 0.513 589 V N 1.789 121.702 119.914 -0.002 0.000 2.864 589 V HA 0.465 4.585 4.120 -0.000 0.000 0.314 589 V C 0.015 176.105 176.094 -0.007 0.000 1.073 589 V CA -1.004 61.291 62.300 -0.007 0.000 0.956 589 V CB 2.092 33.913 31.823 -0.003 0.000 1.023 589 V HN 0.425 nan 8.190 nan 0.000 0.435 590 S N 3.715 119.404 115.700 -0.019 0.000 2.438 590 S HA 0.700 5.170 4.470 -0.000 0.000 0.316 590 S C -0.844 173.743 174.600 -0.021 0.000 1.084 590 S CA -0.440 57.745 58.200 -0.024 0.000 1.107 590 S CB -0.024 63.153 63.200 -0.038 0.000 0.981 590 S HN 0.504 nan 8.310 nan 0.000 0.466 591 I N 3.826 124.380 120.570 -0.027 0.000 2.448 591 I HA 0.280 4.450 4.170 -0.000 0.000 0.281 591 I C -0.422 175.637 176.117 -0.097 0.000 1.027 591 I CA -0.679 60.601 61.300 -0.033 0.000 1.111 591 I CB 1.784 39.776 38.000 -0.013 0.000 1.236 591 I HN 0.510 nan 8.210 nan 0.000 0.452 592 E N 7.406 127.554 120.200 -0.086 0.000 2.081 592 E HA 0.162 4.512 4.350 -0.000 0.000 0.270 592 E C -0.487 175.975 176.600 -0.230 0.000 1.180 592 E CA -0.018 56.300 56.400 -0.137 0.000 0.926 592 E CB 0.392 30.043 29.700 -0.083 0.000 1.035 592 E HN 0.302 nan 8.360 nan 0.000 0.418 593 M N 6.782 126.153 119.600 -0.383 0.000 2.185 593 M HA 0.264 4.744 4.480 -0.000 0.000 0.357 593 M C -2.040 174.028 176.300 -0.387 0.000 1.260 593 M CA -2.199 52.741 55.300 -0.601 0.000 1.124 593 M CB 0.745 32.841 32.600 -0.841 0.000 1.600 593 M HN 0.352 nan 8.290 nan 0.000 0.467 594 P HA 0.188 nan 4.420 nan 0.000 0.278 594 P C -0.127 177.189 177.300 0.027 0.000 1.238 594 P CA -0.140 62.872 63.100 -0.146 0.000 0.794 594 P CB 1.002 32.625 31.700 -0.128 0.000 0.955 595 E N 0.286 120.527 120.200 0.067 0.000 2.285 595 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 595 E C 0.081 176.798 176.600 0.194 0.000 0.997 595 E CA 0.844 57.335 56.400 0.151 0.000 0.845 595 E CB 0.384 30.176 29.700 0.153 0.000 0.782 595 E HN 0.529 nan 8.360 nan 0.000 0.491 596 E N 0.822 121.107 120.200 0.141 0.000 2.176 596 E HA 0.326 4.676 4.350 -0.000 0.000 0.267 596 E C -0.810 175.846 176.600 0.093 0.000 0.893 596 E CA -0.342 56.134 56.400 0.126 0.000 0.761 596 E CB 2.370 32.113 29.700 0.071 0.000 1.133 596 E HN 0.015 nan 8.360 nan 0.000 0.409 597 L N 3.372 124.651 121.223 0.092 0.000 2.372 597 L HA 0.303 4.643 4.340 -0.000 0.000 0.273 597 L C -1.106 175.746 176.870 -0.031 0.000 0.989 597 L CA -0.560 54.264 54.840 -0.027 0.000 0.841 597 L CB 1.449 43.341 42.059 -0.279 0.000 1.225 597 L HN 0.442 nan 8.230 nan 0.000 0.414 598 D N 4.896 125.264 120.400 -0.053 0.000 2.349 598 D HA 0.236 4.876 4.640 -0.000 0.000 0.232 598 D C 0.064 176.278 176.300 -0.144 0.000 1.071 598 D CA -0.094 53.844 54.000 -0.103 0.000 0.832 598 D CB 1.780 42.536 40.800 -0.073 0.000 1.086 598 D HN 0.532 nan 8.370 nan 0.000 0.504 599 I N 2.654 123.062 120.570 -0.269 0.000 4.050 599 I HA -0.048 4.122 4.170 -0.000 0.000 0.327 599 I C 1.679 177.628 176.117 -0.280 0.000 1.473 599 I CA 0.189 61.302 61.300 -0.312 0.000 1.124 599 I CB 0.272 37.984 38.000 -0.480 0.000 1.129 599 I HN 0.325 nan 8.210 nan 0.000 0.428 600 S N 0.302 115.868 115.700 -0.224 0.000 2.453 600 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 600 S C 1.900 176.585 174.600 0.142 0.000 1.005 600 S CA 0.701 58.889 58.200 -0.020 0.000 0.949 600 S CB -0.309 62.869 63.200 -0.038 0.000 0.774 600 S HN 0.628 nan 8.310 nan 0.000 0.510 601 Q N 1.316 121.162 119.800 0.077 0.000 2.437 601 Q HA 0.076 4.416 4.340 -0.000 0.000 0.210 601 Q C 1.555 177.651 176.000 0.159 0.000 0.972 601 Q CA 0.837 56.697 55.803 0.095 0.000 0.903 601 Q CB -0.619 28.149 28.738 0.050 0.000 0.967 601 Q HN 0.580 nan 8.270 nan 0.000 0.486 602 L N 0.928 122.300 121.223 0.247 0.000 2.653 602 L HA 0.264 4.604 4.340 -0.000 0.000 0.231 602 L C 0.956 178.094 176.870 0.446 0.000 1.153 602 L CA -0.319 54.740 54.840 0.365 0.000 0.933 602 L CB 0.147 42.488 42.059 0.470 0.000 1.175 602 L HN 0.080 nan 8.230 nan 0.000 0.473 603 R N 0.876 121.600 120.500 0.372 0.000 2.442 603 R HA 0.260 4.600 4.340 -0.000 0.000 0.291 603 R C 0.379 176.754 176.300 0.125 0.000 1.069 603 R CA -0.087 56.118 56.100 0.175 0.000 1.022 603 R CB 0.852 31.227 30.300 0.125 0.000 0.976 603 R HN 0.100 nan 8.270 nan 0.000 0.443 604 G N 0.949 109.798 108.800 0.082 0.000 2.467 604 G HA2 0.101 4.061 3.960 -0.000 0.000 0.257 604 G HA3 0.101 4.061 3.960 -0.000 0.000 0.257 604 G C 0.240 175.156 174.900 0.026 0.000 1.227 604 G CA -0.319 44.828 45.100 0.078 0.000 0.835 604 G HN 0.643 nan 8.290 nan 0.000 0.556 605 T N -0.240 114.323 114.554 0.015 0.000 3.016 605 T HA 0.458 4.808 4.350 -0.000 0.000 0.271 605 T C 1.132 175.747 174.700 -0.142 0.000 0.968 605 T CA 1.541 63.622 62.100 -0.031 0.000 0.891 605 T CB -0.721 68.152 68.868 0.008 0.000 1.149 605 T HN 2.051 nan 8.240 nan 0.000 0.524 606 G N 1.714 110.353 108.800 -0.268 0.000 2.750 606 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.228 606 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.228 606 G C -0.526 173.728 174.900 -1.077 0.000 1.367 606 G CA -0.366 44.319 45.100 -0.691 0.000 0.871 606 G HN 0.639 nan 8.290 nan 0.000 0.560 607 L N 0.230 120.784 121.223 -1.114 0.000 2.562 607 L HA 0.495 4.835 4.340 -0.000 0.000 0.271 607 L C 0.684 177.436 176.870 -0.196 0.000 1.167 607 L CA 0.582 55.109 54.840 -0.521 0.000 0.917 607 L CB 0.671 42.611 42.059 -0.199 0.000 1.187 607 L HN 0.734 nan 8.230 nan 0.000 0.482 608 Q N 7.148 126.914 119.800 -0.056 0.000 2.230 608 Q HA 0.482 4.822 4.340 -0.000 0.000 0.253 608 Q C -2.315 173.690 176.000 0.008 0.000 0.919 608 Q CA -1.844 53.948 55.803 -0.018 0.000 0.908 608 Q CB 1.233 29.982 28.738 0.018 0.000 1.245 608 Q HN 0.435 nan 8.270 nan 0.000 0.437 609 P HA 0.111 nan 4.420 nan 0.000 0.267 609 P C 0.146 177.456 177.300 0.017 0.000 1.205 609 P CA 0.720 63.825 63.100 0.009 0.000 0.765 609 P CB 0.842 32.544 31.700 0.003 0.000 0.828 610 G N 2.438 111.251 108.800 0.022 0.000 2.253 610 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.209 610 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.209 610 G C -0.143 174.777 174.900 0.033 0.000 0.997 610 G CA -0.417 44.698 45.100 0.024 0.000 0.640 610 G HN 0.562 nan 8.290 nan 0.000 0.496 611 E N 1.149 121.377 120.200 0.046 0.000 2.156 611 E HA 0.464 4.814 4.350 -0.000 0.000 0.279 611 E C -0.447 176.191 176.600 0.063 0.000 0.965 611 E CA -0.404 56.033 56.400 0.063 0.000 0.789 611 E CB 1.297 31.060 29.700 0.106 0.000 1.098 611 E HN 0.474 nan 8.360 nan 0.000 0.397 612 E N 2.253 122.484 120.200 0.052 0.000 2.283 612 E HA 0.112 4.461 4.350 -0.000 0.000 0.278 612 E C -0.577 176.060 176.600 0.062 0.000 1.027 612 E CA -0.265 56.165 56.400 0.050 0.000 0.843 612 E CB 1.159 30.880 29.700 0.035 0.000 1.062 612 E HN 0.351 nan 8.360 nan 0.000 0.401 613 E N 2.217 122.457 120.200 0.067 0.000 2.331 613 E HA 0.161 4.511 4.350 -0.000 0.000 0.272 613 E C -0.422 176.218 176.600 0.068 0.000 1.036 613 E CA -0.417 56.030 56.400 0.078 0.000 0.864 613 E CB 0.967 30.717 29.700 0.083 0.000 1.035 613 E HN 0.275 nan 8.360 nan 0.000 0.408 614 L N 4.658 125.927 121.223 0.076 0.000 2.453 614 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 614 L C -1.978 174.943 176.870 0.084 0.000 1.182 614 L CA -1.531 53.357 54.840 0.081 0.000 0.858 614 L CB -0.213 41.916 42.059 0.116 0.000 1.120 614 L HN 0.273 nan 8.230 nan 0.000 0.474 615 P HA 0.067 nan 4.420 nan 0.000 0.271 615 P C -0.809 176.553 177.300 0.102 0.000 1.233 615 P CA -0.228 62.920 63.100 0.079 0.000 0.789 615 P CB 0.641 32.382 31.700 0.069 0.000 0.951 616 D N 0.030 120.491 120.400 0.102 0.000 2.567 616 D HA 0.461 5.101 4.640 -0.000 0.000 0.275 616 D C 0.789 177.168 176.300 0.133 0.000 1.195 616 D CA -0.195 53.875 54.000 0.116 0.000 1.087 616 D CB 0.592 41.450 40.800 0.098 0.000 1.165 616 D HN 0.172 nan 8.370 nan 0.000 0.609 633 D N -1.005 119.393 120.400 -0.003 0.000 3.224 633 D HA 0.703 5.343 4.640 -0.000 0.000 0.268 633 D C -0.731 175.570 176.300 0.001 0.000 1.310 633 D CA 0.104 54.103 54.000 -0.002 0.000 1.035 633 D CB 1.230 42.032 40.800 0.003 0.000 1.293 633 D HN 0.306 nan 8.370 nan 0.000 0.630 634 E N -1.005 119.198 120.200 0.005 0.000 2.316 634 E HA 0.506 4.856 4.350 -0.000 0.000 0.258 634 E C 0.585 177.192 176.600 0.012 0.000 0.952 634 E CA -0.270 56.134 56.400 0.006 0.000 0.818 634 E CB 2.105 31.807 29.700 0.003 0.000 1.260 634 E HN 0.300 nan 8.360 nan 0.000 0.416 635 S N -0.041 115.665 115.700 0.011 0.000 2.423 635 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 635 S C 1.603 176.217 174.600 0.023 0.000 1.014 635 S CA 0.676 58.885 58.200 0.016 0.000 0.965 635 S CB 0.082 63.290 63.200 0.013 0.000 0.785 635 S HN 0.365 nan 8.310 nan 0.000 0.495 636 V N 1.443 121.371 119.914 0.023 0.000 2.407 636 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 636 V C 1.961 178.082 176.094 0.045 0.000 1.041 636 V CA 1.164 63.483 62.300 0.032 0.000 1.040 636 V CB -0.493 31.343 31.823 0.022 0.000 0.671 636 V HN 0.434 nan 8.190 nan 0.000 0.455 637 I N 0.734 121.326 120.570 0.036 0.000 2.226 637 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 637 I C 2.406 178.557 176.117 0.057 0.000 1.100 637 I CA 2.164 63.492 61.300 0.046 0.000 1.374 637 I CB -0.384 37.634 38.000 0.030 0.000 1.057 637 I HN 0.382 nan 8.210 nan 0.000 0.413 638 I N -1.042 119.553 120.570 0.042 0.000 2.226 638 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 638 I C 2.413 178.560 176.117 0.050 0.000 1.100 638 I CA 1.562 62.886 61.300 0.040 0.000 1.374 638 I CB -0.736 37.280 38.000 0.027 0.000 1.057 638 I HN 0.262 nan 8.210 nan 0.000 0.413 639 Q N 1.016 120.849 119.800 0.055 0.000 2.135 639 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 639 Q C 2.397 178.455 176.000 0.097 0.000 0.981 639 Q CA 1.910 57.752 55.803 0.064 0.000 0.856 639 Q CB -0.155 28.622 28.738 0.065 0.000 0.902 639 Q HN 0.649 nan 8.270 nan 0.000 0.425 640 L N -0.273 121.033 121.223 0.138 0.000 2.162 640 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 640 L C 2.414 179.426 176.870 0.236 0.000 1.086 640 L CA 0.456 55.450 54.840 0.257 0.000 0.778 640 L CB -0.456 41.769 42.059 0.276 0.000 0.928 640 L HN 0.149 nan 8.230 nan 0.000 0.446 641 V N -3.190 116.812 119.914 0.146 0.000 2.626 641 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 641 V C 2.122 178.238 176.094 0.037 0.000 1.067 641 V CA 1.266 63.625 62.300 0.098 0.000 1.081 641 V CB -0.543 31.324 31.823 0.074 0.000 0.686 641 V HN 0.381 nan 8.190 nan 0.000 0.468 642 E N 0.408 120.627 120.200 0.032 0.000 2.150 642 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 642 E C 2.098 178.673 176.600 -0.041 0.000 0.985 642 E CA 1.766 58.166 56.400 0.001 0.000 0.814 642 E CB -0.202 29.506 29.700 0.013 0.000 0.752 642 E HN 0.657 nan 8.360 nan 0.000 0.466 643 M N -1.197 118.363 119.600 -0.068 0.000 2.492 643 M HA 0.013 4.492 4.480 -0.000 0.000 0.262 643 M C 1.361 177.446 176.300 -0.359 0.000 1.090 643 M CA 1.025 56.201 55.300 -0.207 0.000 1.110 643 M CB 0.525 32.978 32.600 -0.246 0.000 1.407 643 M HN 0.272 nan 8.290 nan 0.000 0.470 644 G N -0.230 108.414 108.800 -0.259 0.000 2.211 644 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.201 644 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.201 644 G C -0.093 174.711 174.900 -0.161 0.000 0.997 644 G CA -0.753 44.214 45.100 -0.223 0.000 0.652 644 G HN 0.267 nan 8.290 nan 0.000 0.500 645 F N 2.554 122.522 119.950 0.030 0.000 2.529 645 F HA 0.459 4.986 4.527 -0.000 0.000 0.365 645 F C -1.469 174.354 175.800 0.038 0.000 1.102 645 F CA -2.043 55.981 58.000 0.039 0.000 1.271 645 F CB 0.192 39.226 39.000 0.057 0.000 1.120 645 F HN -0.119 nan 8.300 nan 0.000 0.579 646 P HA 0.040 nan 4.420 nan 0.000 0.271 646 P C 0.745 178.120 177.300 0.126 0.000 1.216 646 P CA -0.339 62.840 63.100 0.133 0.000 0.776 646 P CB 0.653 32.414 31.700 0.101 0.000 0.881 647 M N 3.048 122.701 119.600 0.088 0.000 2.103 647 M HA -0.270 4.210 4.480 -0.000 0.000 0.255 647 M C 0.842 177.181 176.300 0.065 0.000 1.074 647 M CA 2.211 57.553 55.300 0.071 0.000 1.090 647 M CB -1.168 31.459 32.600 0.046 0.000 1.325 647 M HN 0.276 nan 8.290 nan 0.000 0.403 648 D N -0.148 120.287 120.400 0.057 0.000 2.117 648 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 648 D C 1.988 178.335 176.300 0.078 0.000 0.987 648 D CA 1.890 55.920 54.000 0.049 0.000 0.829 648 D CB -0.393 40.429 40.800 0.036 0.000 0.961 648 D HN 0.540 nan 8.370 nan 0.000 0.460 649 A N 0.079 122.967 122.820 0.114 0.000 1.902 649 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 649 A C 2.383 180.077 177.584 0.184 0.000 1.181 649 A CA 1.343 53.495 52.037 0.192 0.000 0.623 649 A CB -1.016 18.086 19.000 0.169 0.000 0.818 649 A HN 0.393 nan 8.150 nan 0.000 0.443 650 C N -1.037 118.337 119.300 0.124 0.000 2.413 650 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 650 C C 2.837 177.847 174.990 0.034 0.000 1.248 650 C CA 1.228 60.299 59.018 0.088 0.000 1.742 650 C CB -1.429 26.376 27.740 0.109 0.000 2.017 650 C HN 0.608 nan 8.230 nan 0.000 0.481 651 R N 0.808 121.325 120.500 0.027 0.000 2.075 651 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 651 R C 2.233 178.510 176.300 -0.038 0.000 1.126 651 R CA 1.276 57.372 56.100 -0.007 0.000 0.963 651 R CB -0.168 30.126 30.300 -0.010 0.000 0.858 651 R HN 0.585 nan 8.270 nan 0.000 0.435 652 K N -0.056 120.319 120.400 -0.041 0.000 2.211 652 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 652 K C 2.010 178.270 176.600 -0.567 0.000 1.050 652 K CA 1.100 57.321 56.287 -0.110 0.000 0.945 652 K CB 0.017 32.506 32.500 -0.018 0.000 0.732 652 K HN 0.140 nan 8.250 nan 0.000 0.451 653 A N 0.761 123.283 122.820 -0.497 0.000 1.898 653 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 653 A C 2.256 179.599 177.584 -0.400 0.000 1.181 653 A CA 1.235 52.932 52.037 -0.566 0.000 0.620 653 A CB -0.547 18.482 19.000 0.049 0.000 0.819 653 A HN 0.138 nan 8.150 nan 0.000 0.442 654 V N -1.545 118.256 119.914 -0.188 0.000 2.871 654 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 654 V C 2.080 178.098 176.094 -0.126 0.000 1.082 654 V CA 1.751 63.983 62.300 -0.114 0.000 1.105 654 V CB -0.525 31.272 31.823 -0.043 0.000 0.713 654 V HN 0.717 nan 8.190 nan 0.000 0.473 655 Y N -0.615 119.519 120.300 -0.277 0.000 2.314 655 Y HA -0.104 4.446 4.550 -0.000 0.000 0.294 655 Y C 1.858 177.500 175.900 -0.430 0.000 1.119 655 Y CA 1.586 59.493 58.100 -0.322 0.000 1.179 655 Y CB -0.106 38.155 38.460 -0.332 0.000 1.025 655 Y HN 0.388 nan 8.280 nan 0.000 0.541 656 Y N -0.081 119.890 120.300 -0.548 0.000 2.490 656 Y HA 0.021 4.571 4.550 -0.000 0.000 0.281 656 Y C 2.064 177.703 175.900 -0.436 0.000 1.174 656 Y CA 0.991 58.745 58.100 -0.576 0.000 1.295 656 Y CB -0.034 38.054 38.460 -0.619 0.000 1.062 656 Y HN 0.248 nan 8.280 nan 0.000 0.522 657 T N -4.960 109.421 114.554 -0.289 0.000 3.040 657 T HA 0.312 4.661 4.350 -0.000 0.000 0.250 657 T C 1.581 176.196 174.700 -0.141 0.000 1.058 657 T CA 0.333 62.352 62.100 -0.135 0.000 0.988 657 T CB 0.154 68.983 68.868 -0.066 0.000 0.993 657 T HN 0.304 nan 8.240 nan 0.000 0.519 658 G N 2.575 111.237 108.800 -0.229 0.000 2.256 658 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.272 658 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.272 658 G C 0.028 174.855 174.900 -0.121 0.000 1.076 658 G CA -0.201 44.778 45.100 -0.201 0.000 0.882 658 G HN 0.644 nan 8.290 nan 0.000 0.497 659 N N -1.260 117.377 118.700 -0.105 0.000 2.686 659 N HA -0.183 4.557 4.740 -0.000 0.000 0.261 659 N C 1.160 176.646 175.510 -0.041 0.000 1.001 659 N CA 1.294 54.308 53.050 -0.060 0.000 0.764 659 N CB -1.115 37.344 38.487 -0.046 0.000 0.898 659 N HN 0.571 nan 8.380 nan 0.000 0.544 660 S N -0.668 115.011 115.700 -0.035 0.000 2.603 660 S HA 0.405 4.875 4.470 -0.000 0.000 0.220 660 S C 1.319 175.918 174.600 -0.003 0.000 0.967 660 S CA 0.212 58.402 58.200 -0.016 0.000 0.920 660 S CB 0.207 63.402 63.200 -0.007 0.000 0.773 660 S HN 1.054 nan 8.310 nan 0.000 0.529 661 G N 0.672 109.471 108.800 -0.002 0.000 2.498 661 G HA2 0.152 4.112 3.960 -0.000 0.000 0.651 661 G HA3 0.152 4.112 3.960 -0.000 0.000 0.651 661 G C 0.427 175.338 174.900 0.019 0.000 1.284 661 G CA -0.388 44.717 45.100 0.009 0.000 0.950 661 G HN 0.334 nan 8.290 nan 0.000 0.511 662 A N -0.856 121.981 122.820 0.029 0.000 1.898 662 A HA 0.229 4.549 4.320 -0.000 0.000 0.214 662 A C 1.983 179.598 177.584 0.053 0.000 1.183 662 A CA 2.198 54.260 52.037 0.043 0.000 0.622 662 A CB -0.486 18.543 19.000 0.048 0.000 0.824 662 A HN 0.784 nan 8.150 nan 0.000 0.444 663 E N -0.197 120.032 120.200 0.048 0.000 2.085 663 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 663 E C 2.246 178.880 176.600 0.057 0.000 0.994 663 E CA 1.029 57.461 56.400 0.053 0.000 0.801 663 E CB -0.239 29.487 29.700 0.043 0.000 0.743 663 E HN 0.598 nan 8.360 nan 0.000 0.453 664 A N 0.980 123.833 122.820 0.055 0.000 2.015 664 A HA -0.041 4.278 4.320 -0.000 0.000 0.219 664 A C 2.256 179.903 177.584 0.105 0.000 1.163 664 A CA 1.476 53.556 52.037 0.072 0.000 0.646 664 A CB -0.322 18.710 19.000 0.055 0.000 0.806 664 A HN 0.295 nan 8.150 nan 0.000 0.448 665 A N -0.780 122.087 122.820 0.077 0.000 1.930 665 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 665 A C 2.197 179.837 177.584 0.093 0.000 1.176 665 A CA 1.475 53.564 52.037 0.086 0.000 0.632 665 A CB -0.475 18.546 19.000 0.036 0.000 0.819 665 A HN 0.562 nan 8.150 nan 0.000 0.445 666 M N 0.287 119.921 119.600 0.055 0.000 2.086 666 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 666 M C 1.752 178.035 176.300 -0.029 0.000 1.067 666 M CA 2.255 57.555 55.300 0.000 0.000 1.116 666 M CB -0.512 32.137 32.600 0.082 0.000 1.348 666 M HN 0.593 nan 8.290 nan 0.000 0.407 667 N N -0.898 117.826 118.700 0.040 0.000 2.094 667 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 667 N C 1.357 176.891 175.510 0.040 0.000 1.023 667 N CA 1.787 54.856 53.050 0.031 0.000 0.857 667 N CB -0.340 38.180 38.487 0.056 0.000 1.013 667 N HN 0.507 nan 8.380 nan 0.000 0.426 668 W N 1.962 123.240 121.300 -0.037 0.000 2.354 668 W HA -0.194 4.466 4.660 -0.000 0.000 0.315 668 W C 2.245 178.746 176.519 -0.029 0.000 1.206 668 W CA 1.621 58.988 57.345 0.036 0.000 1.290 668 W CB -0.484 29.019 29.460 0.072 0.000 1.152 668 W HN -0.128 nan 8.180 nan 0.000 0.489 669 V N -0.700 119.329 119.914 0.191 0.000 2.324 669 V HA -0.394 3.726 4.120 -0.000 0.000 0.250 669 V C 2.012 177.925 176.094 -0.301 0.000 1.060 669 V CA 2.401 64.639 62.300 -0.104 0.000 1.042 669 V CB -1.346 30.167 31.823 -0.518 0.000 0.650 669 V HN 0.306 nan 8.190 nan 0.000 0.450 670 M N 0.358 119.767 119.600 -0.318 0.000 2.279 670 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 670 M C 2.368 178.523 176.300 -0.242 0.000 1.062 670 M CA 1.903 57.078 55.300 -0.208 0.000 1.099 670 M CB -0.423 32.111 32.600 -0.109 0.000 1.394 670 M HN 0.454 nan 8.290 nan 0.000 0.426 671 S N -1.456 114.008 115.700 -0.394 0.000 2.439 671 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 671 S C 1.112 175.241 174.600 -0.786 0.000 1.029 671 S CA 0.807 58.624 58.200 -0.638 0.000 0.946 671 S CB -0.036 62.597 63.200 -0.945 0.000 0.797 671 S HN 0.561 nan 8.310 nan 0.000 0.504 672 H N -0.138 118.587 119.070 -0.575 0.000 3.360 672 H HA 0.288 4.844 4.556 -0.000 0.000 0.262 672 H C 1.770 176.866 175.328 -0.388 0.000 1.149 672 H CA 0.038 55.689 56.048 -0.662 0.000 1.181 672 H CB 0.103 28.961 29.762 -1.508 0.000 1.564 672 H HN 0.339 nan 8.280 nan 0.000 0.565 673 M N -0.333 119.173 119.600 -0.156 0.000 2.267 673 M HA -0.066 4.413 4.480 -0.000 0.000 0.263 673 M C 0.428 176.703 176.300 -0.041 0.000 1.063 673 M CA 1.698 56.974 55.300 -0.039 0.000 1.090 673 M CB 0.165 32.769 32.600 0.006 0.000 1.392 673 M HN -0.085 nan 8.290 nan 0.000 0.422 674 D N 0.878 121.241 120.400 -0.062 0.000 2.350 674 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 674 D C -0.294 175.951 176.300 -0.093 0.000 1.031 674 D CA 0.303 54.273 54.000 -0.049 0.000 0.861 674 D CB -0.142 40.646 40.800 -0.019 0.000 0.926 674 D HN 0.411 nan 8.370 nan 0.000 0.520 675 D N 1.670 121.985 120.400 -0.141 0.000 2.423 675 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 675 D C -1.998 173.986 176.300 -0.527 0.000 1.142 675 D CA -0.770 53.005 54.000 -0.376 0.000 0.884 675 D CB 0.294 40.914 40.800 -0.300 0.000 1.199 675 D HN 0.030 nan 8.370 nan 0.000 0.438 676 P HA 0.097 nan 4.420 nan 0.000 0.273 676 P C -0.024 176.881 177.300 -0.659 0.000 1.250 676 P CA -0.320 62.328 63.100 -0.752 0.000 0.793 676 P CB 0.565 31.612 31.700 -1.087 0.000 1.011 677 D N -0.324 119.856 120.400 -0.366 0.000 2.144 677 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 677 D C 1.391 177.582 176.300 -0.181 0.000 0.978 677 D CA 1.347 55.236 54.000 -0.186 0.000 0.833 677 D CB -0.785 39.990 40.800 -0.041 0.000 0.961 677 D HN 0.508 nan 8.370 nan 0.000 0.470 678 F N -0.159 119.673 119.950 -0.198 0.000 2.558 678 F HA 0.372 4.899 4.527 -0.000 0.000 0.298 678 F C 2.072 177.768 175.800 -0.174 0.000 1.119 678 F CA 0.147 58.057 58.000 -0.150 0.000 1.451 678 F CB -0.538 38.389 39.000 -0.123 0.000 1.091 678 F HN -0.071 nan 8.300 nan 0.000 0.563 679 A N 1.178 123.488 122.820 -0.850 0.000 1.902 679 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 679 A C 0.968 178.419 177.584 -0.223 0.000 1.181 679 A CA 1.356 53.050 52.037 -0.571 0.000 0.623 679 A CB -0.638 17.839 19.000 -0.873 0.000 0.818 679 A HN 0.514 nan 8.150 nan 0.000 0.443 680 N N 0.547 119.103 118.700 -0.241 0.000 2.841 680 N HA 0.263 5.003 4.740 -0.000 0.000 0.257 680 N C -3.229 172.281 175.510 0.000 0.000 1.396 680 N CA -1.027 51.887 53.050 -0.228 0.000 0.823 680 N CB 1.217 39.516 38.487 -0.313 0.000 1.162 680 N HN 0.259 nan 8.380 nan 0.000 0.503 681 P HA 0.217 nan 4.420 nan 0.000 0.280 681 P C -0.496 176.891 177.300 0.145 0.000 1.244 681 P CA -0.507 62.665 63.100 0.120 0.000 0.784 681 P CB 1.368 33.139 31.700 0.118 0.000 0.913 682 L N 4.639 125.884 121.223 0.037 0.000 2.439 682 L HA 0.439 4.779 4.340 -0.000 0.000 0.270 682 L C -0.673 176.134 176.870 -0.105 0.000 0.972 682 L CA -0.771 54.010 54.840 -0.098 0.000 0.836 682 L CB 1.245 43.222 42.059 -0.137 0.000 1.255 682 L HN 0.212 nan 8.230 nan 0.000 0.404 683 I N 5.838 126.326 120.570 -0.137 0.000 2.396 683 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 683 I C 0.282 176.331 176.117 -0.113 0.000 1.056 683 I CA -0.518 60.724 61.300 -0.096 0.000 1.365 683 I CB 0.373 38.327 38.000 -0.077 0.000 1.407 683 I HN 0.378 nan 8.210 nan 0.000 0.509 699 P HA 0.414 nan 4.420 nan 0.000 0.268 699 P C -2.284 174.993 177.300 -0.039 0.000 1.208 699 P CA -0.651 62.426 63.100 -0.038 0.000 0.777 699 P CB 0.102 31.783 31.700 -0.030 0.000 0.875 700 P HA 0.223 nan 4.420 nan 0.000 0.275 700 P C -2.508 174.773 177.300 -0.030 0.000 1.228 700 P CA -1.399 61.675 63.100 -0.044 0.000 0.786 700 P CB -0.582 31.084 31.700 -0.057 0.000 0.927 701 P HA -0.009 nan 4.420 nan 0.000 0.262 701 P C 0.914 178.207 177.300 -0.012 0.000 1.182 701 P CA 0.412 63.504 63.100 -0.014 0.000 0.761 701 P CB 0.342 32.036 31.700 -0.010 0.000 0.795 702 E N 2.843 123.038 120.200 -0.008 0.000 2.209 702 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 702 E C 0.949 177.550 176.600 0.001 0.000 0.993 702 E CA 1.655 58.052 56.400 -0.005 0.000 0.819 702 E CB -0.262 29.436 29.700 -0.003 0.000 0.745 702 E HN 0.465 nan 8.360 nan 0.000 0.477 703 D N -1.452 118.951 120.400 0.004 0.000 2.349 703 D HA -0.057 4.583 4.640 -0.000 0.000 0.215 703 D C 1.427 177.736 176.300 0.014 0.000 1.016 703 D CA 0.133 54.140 54.000 0.011 0.000 0.870 703 D CB -0.849 39.959 40.800 0.013 0.000 0.917 703 D HN 0.208 nan 8.370 nan 0.000 0.524 704 C N 0.235 119.539 119.300 0.007 0.000 2.466 704 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 704 C C 2.842 177.838 174.990 0.010 0.000 1.288 704 C CA 0.228 59.250 59.018 0.007 0.000 1.722 704 C CB -0.632 27.103 27.740 -0.008 0.000 2.017 704 C HN 0.227 nan 8.230 nan 0.000 0.488 705 V N 1.092 121.007 119.914 0.003 0.000 2.282 705 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 705 V C 2.448 178.559 176.094 0.028 0.000 1.057 705 V CA 2.741 65.044 62.300 0.006 0.000 1.032 705 V CB -1.373 30.450 31.823 -0.000 0.000 0.645 705 V HN 0.611 nan 8.190 nan 0.000 0.447 706 T N -0.221 114.351 114.554 0.031 0.000 2.737 706 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 706 T C 1.962 176.697 174.700 0.059 0.000 1.038 706 T CA 1.891 64.016 62.100 0.041 0.000 1.144 706 T CB -0.571 68.316 68.868 0.033 0.000 0.866 706 T HN 0.648 nan 8.240 nan 0.000 0.434 707 T N 2.790 117.378 114.554 0.057 0.000 2.624 707 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 707 T C 1.981 176.747 174.700 0.109 0.000 1.041 707 T CA 1.445 63.589 62.100 0.074 0.000 1.159 707 T CB -0.643 68.263 68.868 0.063 0.000 0.863 707 T HN 0.343 nan 8.240 nan 0.000 0.434 708 I N 0.613 121.245 120.570 0.103 0.000 2.163 708 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 708 I C 2.638 178.895 176.117 0.233 0.000 1.081 708 I CA 0.818 62.208 61.300 0.149 0.000 1.353 708 I CB -0.631 37.395 38.000 0.043 0.000 1.054 708 I HN 0.075 nan 8.210 nan 0.000 0.407 709 V N 0.464 120.469 119.914 0.153 0.000 2.282 709 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 709 V C 2.393 178.560 176.094 0.122 0.000 1.057 709 V CA 2.361 64.749 62.300 0.146 0.000 1.032 709 V CB -0.657 31.217 31.823 0.084 0.000 0.645 709 V HN 0.395 nan 8.190 nan 0.000 0.447 710 S N -0.932 114.828 115.700 0.100 0.000 2.555 710 S HA 0.024 4.493 4.470 -0.000 0.000 0.230 710 S C 1.657 176.308 174.600 0.085 0.000 0.978 710 S CA 0.882 59.127 58.200 0.075 0.000 0.934 710 S CB -0.267 62.973 63.200 0.066 0.000 0.766 710 S HN 0.495 nan 8.310 nan 0.000 0.533 711 M N 0.399 120.087 119.600 0.145 0.000 2.562 711 M HA 0.097 4.576 4.480 -0.000 0.000 0.257 711 M C 1.245 177.517 176.300 -0.046 0.000 1.099 711 M CA 0.578 55.975 55.300 0.161 0.000 1.099 711 M CB 0.068 32.891 32.600 0.372 0.000 1.427 711 M HN 0.462 nan 8.290 nan 0.000 0.489 712 G N 0.965 109.693 108.800 -0.121 0.000 2.237 712 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.153 712 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.153 712 G C -0.672 173.866 174.900 -0.603 0.000 1.039 712 G CA -0.790 44.113 45.100 -0.328 0.000 0.719 712 G HN 0.307 nan 8.290 nan 0.000 0.491 713 F N 0.914 120.841 119.950 -0.038 0.000 2.588 713 F HA 0.749 5.276 4.527 -0.000 0.000 0.314 713 F C 0.918 176.706 175.800 -0.021 0.000 1.069 713 F CA -0.446 57.526 58.000 -0.047 0.000 0.931 713 F CB 1.874 40.835 39.000 -0.065 0.000 1.260 713 F HN 0.312 nan 8.300 nan 0.000 0.465 714 S N 1.414 117.224 115.700 0.183 0.000 2.589 714 S HA 0.189 4.659 4.470 -0.000 0.000 0.265 714 S C 1.393 176.050 174.600 0.094 0.000 1.342 714 S CA -0.420 57.842 58.200 0.103 0.000 1.005 714 S CB 0.936 64.180 63.200 0.074 0.000 0.909 714 S HN 0.833 nan 8.310 nan 0.000 0.555 715 R N 0.639 121.173 120.500 0.056 0.000 2.096 715 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 715 R C 1.795 178.108 176.300 0.022 0.000 1.139 715 R CA 2.325 58.446 56.100 0.035 0.000 0.952 715 R CB -0.753 29.561 30.300 0.022 0.000 0.854 715 R HN 0.903 nan 8.270 nan 0.000 0.436 716 D N -0.498 119.917 120.400 0.025 0.000 2.178 716 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 716 D C 1.785 178.093 176.300 0.013 0.000 0.974 716 D CA 1.256 55.264 54.000 0.013 0.000 0.841 716 D CB 0.136 40.949 40.800 0.021 0.000 0.953 716 D HN 0.368 nan 8.370 nan 0.000 0.478 717 Q N -0.193 119.632 119.800 0.042 0.000 2.046 717 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 717 Q C 2.321 178.303 176.000 -0.029 0.000 0.975 717 Q CA 1.365 57.196 55.803 0.045 0.000 0.836 717 Q CB -0.219 28.582 28.738 0.105 0.000 0.896 717 Q HN 0.318 nan 8.270 nan 0.000 0.428 718 A N 1.006 123.809 122.820 -0.029 0.000 1.903 718 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 718 A C 2.086 179.607 177.584 -0.105 0.000 1.191 718 A CA 1.537 53.534 52.037 -0.068 0.000 0.638 718 A CB -0.857 18.137 19.000 -0.011 0.000 0.823 718 A HN 0.301 nan 8.150 nan 0.000 0.451 719 L N -0.948 120.223 121.223 -0.087 0.000 2.027 719 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 719 L C 2.598 179.354 176.870 -0.191 0.000 1.074 719 L CA 1.749 56.521 54.840 -0.114 0.000 0.745 719 L CB -0.468 41.546 42.059 -0.075 0.000 0.898 719 L HN 0.313 nan 8.230 nan 0.000 0.433 720 K N 0.192 120.479 120.400 -0.189 0.000 2.044 720 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 720 K C 2.242 178.433 176.600 -0.681 0.000 1.049 720 K CA 1.583 57.689 56.287 -0.302 0.000 0.927 720 K CB -0.377 32.042 32.500 -0.134 0.000 0.713 720 K HN 0.324 nan 8.250 nan 0.000 0.443 721 A N 1.381 123.829 122.820 -0.620 0.000 1.877 721 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 721 A C 2.149 179.361 177.584 -0.619 0.000 1.186 721 A CA 1.343 52.902 52.037 -0.796 0.000 0.620 721 A CB -0.624 18.250 19.000 -0.210 0.000 0.822 721 A HN 0.172 nan 8.150 nan 0.000 0.443 722 L N -1.076 119.928 121.223 -0.364 0.000 2.093 722 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 722 L C 2.755 179.460 176.870 -0.275 0.000 1.085 722 L CA 1.572 56.260 54.840 -0.255 0.000 0.755 722 L CB -0.423 41.541 42.059 -0.158 0.000 0.904 722 L HN 0.507 nan 8.230 nan 0.000 0.435 723 R N 0.773 121.086 120.500 -0.312 0.000 2.081 723 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 723 R C 2.187 178.289 176.300 -0.330 0.000 1.131 723 R CA 1.459 57.396 56.100 -0.271 0.000 0.960 723 R CB -0.244 29.912 30.300 -0.240 0.000 0.856 723 R HN 0.296 nan 8.270 nan 0.000 0.436 724 A N -0.060 122.426 122.820 -0.556 0.000 2.119 724 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 724 A C 1.416 178.770 177.584 -0.384 0.000 1.153 724 A CA 1.430 53.114 52.037 -0.587 0.000 0.692 724 A CB -0.171 18.087 19.000 -1.236 0.000 0.799 724 A HN 0.586 nan 8.150 nan 0.000 0.458 725 T N -4.880 109.475 114.554 -0.331 0.000 3.288 725 T HA 0.270 4.619 4.350 -0.000 0.000 0.293 725 T C 0.241 174.871 174.700 -0.116 0.000 1.008 725 T CA 0.069 62.063 62.100 -0.178 0.000 0.929 725 T CB -0.503 68.276 68.868 -0.148 0.000 1.152 725 T HN 0.284 nan 8.240 nan 0.000 0.517 726 N N 2.776 121.403 118.700 -0.122 0.000 2.725 726 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 726 N C 0.131 175.597 175.510 -0.074 0.000 1.031 726 N CA 1.042 54.041 53.050 -0.085 0.000 0.720 726 N CB -2.152 36.301 38.487 -0.057 0.000 0.930 726 N HN 0.843 nan 8.380 nan 0.000 0.543 727 N N -2.734 115.910 118.700 -0.093 0.000 2.765 727 N HA -0.277 4.462 4.740 -0.000 0.000 0.248 727 N C -0.704 174.775 175.510 -0.052 0.000 1.063 727 N CA 0.916 53.922 53.050 -0.074 0.000 0.862 727 N CB -0.987 37.465 38.487 -0.057 0.000 1.145 727 N HN 0.459 nan 8.380 nan 0.000 0.581 728 S N 0.850 116.522 115.700 -0.048 0.000 2.519 728 S HA 0.209 4.679 4.470 -0.000 0.000 0.320 728 S C 1.534 176.124 174.600 -0.017 0.000 1.179 728 S CA -0.460 57.725 58.200 -0.025 0.000 1.173 728 S CB 0.050 63.240 63.200 -0.016 0.000 1.224 728 S HN 0.355 nan 8.310 nan 0.000 0.542 729 L N 4.747 125.965 121.223 -0.009 0.000 2.051 729 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 729 L C 2.288 179.172 176.870 0.023 0.000 1.076 729 L CA 2.246 57.088 54.840 0.004 0.000 0.758 729 L CB -1.360 40.705 42.059 0.010 0.000 0.890 729 L HN 0.766 nan 8.230 nan 0.000 0.433 730 E N 0.277 120.493 120.200 0.027 0.000 2.107 730 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 730 E C 2.253 178.887 176.600 0.057 0.000 0.982 730 E CA 0.718 57.142 56.400 0.040 0.000 0.809 730 E CB -0.371 29.348 29.700 0.031 0.000 0.756 730 E HN 0.538 nan 8.360 nan 0.000 0.459 731 R N 0.750 121.280 120.500 0.050 0.000 2.090 731 R HA 0.032 4.372 4.340 -0.000 0.000 0.228 731 R C 2.503 178.874 176.300 0.117 0.000 1.110 731 R CA 1.054 57.202 56.100 0.079 0.000 0.973 731 R CB -0.342 29.991 30.300 0.054 0.000 0.869 731 R HN 0.263 nan 8.270 nan 0.000 0.440 732 A N 0.997 123.853 122.820 0.060 0.000 1.902 732 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 732 A C 2.383 180.041 177.584 0.124 0.000 1.181 732 A CA 1.368 53.433 52.037 0.046 0.000 0.623 732 A CB -0.539 18.436 19.000 -0.041 0.000 0.818 732 A HN 0.093 nan 8.150 nan 0.000 0.443 733 V N 0.581 120.569 119.914 0.123 0.000 2.287 733 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 733 V C 2.226 178.494 176.094 0.290 0.000 1.053 733 V CA 2.360 64.779 62.300 0.199 0.000 1.027 733 V CB -0.818 31.108 31.823 0.172 0.000 0.646 733 V HN 0.489 nan 8.190 nan 0.000 0.447 734 D N -1.513 119.016 120.400 0.214 0.000 2.144 734 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 734 D C 1.702 178.166 176.300 0.274 0.000 0.984 734 D CA 1.241 55.366 54.000 0.209 0.000 0.834 734 D CB -0.219 40.666 40.800 0.142 0.000 0.955 734 D HN 0.626 nan 8.370 nan 0.000 0.465 735 W N 1.319 122.682 121.300 0.104 0.000 2.332 735 W HA -0.220 4.440 4.660 -0.000 0.000 0.321 735 W C 2.132 178.738 176.519 0.145 0.000 1.219 735 W CA 1.642 59.060 57.345 0.123 0.000 1.277 735 W CB -0.322 29.105 29.460 -0.054 0.000 1.161 735 W HN -0.070 nan 8.180 nan 0.000 0.476 736 I N -1.117 119.632 120.570 0.298 0.000 2.226 736 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 736 I C 2.123 178.156 176.117 -0.140 0.000 1.100 736 I CA 1.532 62.793 61.300 -0.064 0.000 1.374 736 I CB -1.493 36.067 38.000 -0.733 0.000 1.057 736 I HN -0.114 nan 8.210 nan 0.000 0.413 737 F N 1.505 121.456 119.950 0.003 0.000 2.171 737 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 737 F C 2.836 178.643 175.800 0.011 0.000 1.090 737 F CA 1.846 59.902 58.000 0.092 0.000 1.293 737 F CB -0.546 38.520 39.000 0.110 0.000 1.013 737 F HN 0.181 nan 8.300 nan 0.000 0.486 738 S N -1.710 114.056 115.700 0.109 0.000 2.461 738 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 738 S C 1.275 175.652 174.600 -0.371 0.000 1.005 738 S CA 1.105 59.237 58.200 -0.113 0.000 0.942 738 S CB -0.619 62.478 63.200 -0.172 0.000 0.776 738 S HN 0.468 nan 8.310 nan 0.000 0.514 739 H N 0.628 119.471 119.070 -0.380 0.000 2.750 739 H HA 0.367 4.923 4.556 -0.000 0.000 0.263 739 H C 1.736 176.913 175.328 -0.251 0.000 0.964 739 H CA 0.447 56.197 56.048 -0.496 0.000 1.205 739 H CB -0.110 28.952 29.762 -1.166 0.000 1.454 739 H HN 0.479 nan 8.280 nan 0.000 0.503 740 I N -0.145 120.404 120.570 -0.036 0.000 2.151 740 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 740 I C 1.611 177.738 176.117 0.017 0.000 1.080 740 I CA 1.476 62.798 61.300 0.035 0.000 1.339 740 I CB -0.504 37.569 38.000 0.121 0.000 1.039 740 I HN 0.027 nan 8.210 nan 0.000 0.409 741 D N 1.470 121.866 120.400 -0.006 0.000 2.116 741 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 741 D C 1.799 178.089 176.300 -0.017 0.000 0.998 741 D CA 1.997 55.990 54.000 -0.011 0.000 0.836 741 D CB -0.481 40.303 40.800 -0.027 0.000 0.951 741 D HN 0.467 nan 8.370 nan 0.000 0.449 742 D N 0.000 120.376 120.400 -0.041 0.000 2.219 742 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 742 D C 2.338 178.645 176.300 0.011 0.000 0.970 742 D CA 0.190 54.175 54.000 -0.025 0.000 0.851 742 D CB -0.201 40.566 40.800 -0.055 0.000 0.943 742 D HN 0.230 nan 8.370 nan 0.000 0.488 743 L N 0.592 121.828 121.223 0.023 0.000 2.044 743 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 743 L C 1.824 178.721 176.870 0.046 0.000 1.075 743 L CA 0.978 55.850 54.840 0.054 0.000 0.747 743 L CB -0.228 41.880 42.059 0.081 0.000 0.903 743 L HN -0.098 nan 8.230 nan 0.000 0.435 744 D N 0.385 120.807 120.400 0.037 0.000 2.178 744 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 744 D C 2.144 178.456 176.300 0.021 0.000 0.980 744 D CA 1.436 55.454 54.000 0.029 0.000 0.842 744 D CB -0.018 40.796 40.800 0.023 0.000 0.948 744 D HN 0.316 nan 8.370 nan 0.000 0.472 745 A N 0.576 123.406 122.820 0.016 0.000 2.066 745 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 745 A C 2.028 179.623 177.584 0.018 0.000 1.157 745 A CA 1.001 53.046 52.037 0.013 0.000 0.670 745 A CB -0.314 18.689 19.000 0.006 0.000 0.804 745 A HN 0.152 nan 8.150 nan 0.000 0.453 746 E N -0.269 119.947 120.200 0.025 0.000 2.152 746 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 746 E C 2.243 178.859 176.600 0.026 0.000 0.983 746 E CA 0.738 57.155 56.400 0.029 0.000 0.818 746 E CB -0.195 29.529 29.700 0.040 0.000 0.758 746 E HN 0.616 nan 8.360 nan 0.000 0.467 747 A N 1.330 124.166 122.820 0.027 0.000 1.933 747 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 747 A C 2.358 179.952 177.584 0.017 0.000 1.175 747 A CA 1.574 53.625 52.037 0.023 0.000 0.628 747 A CB -0.593 18.421 19.000 0.024 0.000 0.814 747 A HN 0.303 nan 8.150 nan 0.000 0.444 748 A N -0.655 122.174 122.820 0.015 0.000 1.908 748 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 748 A C 1.813 179.404 177.584 0.012 0.000 1.181 748 A CA 1.986 54.030 52.037 0.012 0.000 0.627 748 A CB -1.140 17.866 19.000 0.010 0.000 0.818 748 A HN 1.268 nan 8.150 nan 0.000 0.445 749 M N 1.666 121.274 119.600 0.014 0.000 2.513 749 M HA 0.368 4.848 4.480 -0.000 0.000 0.341 749 M C -0.454 175.854 176.300 0.014 0.000 1.689 749 M CA 0.340 55.649 55.300 0.014 0.000 1.202 749 M CB -1.429 31.180 32.600 0.016 0.000 1.996 749 M HN 0.442 nan 8.290 nan 0.000 0.458 769 P HA 0.503 nan 4.420 nan 0.000 0.269 769 P C -0.130 177.178 177.300 0.014 0.000 1.209 769 P CA 0.137 63.242 63.100 0.008 0.000 0.776 769 P CB 0.351 32.050 31.700 -0.001 0.000 0.876 770 K N 1.746 122.161 120.400 0.024 0.000 2.383 770 K HA 0.503 4.822 4.320 -0.000 0.000 0.286 770 K C 0.020 176.643 176.600 0.040 0.000 1.051 770 K CA -0.374 55.930 56.287 0.028 0.000 0.974 770 K CB -0.279 32.236 32.500 0.026 0.000 0.968 770 K HN 0.499 nan 8.250 nan 0.000 0.475 771 V N -0.865 119.075 119.914 0.043 0.000 3.007 771 V HA 0.665 4.785 4.120 -0.000 0.000 0.311 771 V C -0.423 175.714 176.094 0.072 0.000 1.120 771 V CA -1.464 60.877 62.300 0.068 0.000 0.980 771 V CB 2.098 33.965 31.823 0.074 0.000 1.033 771 V HN 0.780 nan 8.190 nan 0.000 0.429 772 R N 1.903 122.462 120.500 0.097 0.000 2.215 772 R HA 0.470 4.810 4.340 -0.000 0.000 0.336 772 R C -0.929 175.437 176.300 0.110 0.000 0.996 772 R CA -0.509 55.644 56.100 0.088 0.000 0.847 772 R CB 1.145 31.498 30.300 0.089 0.000 1.127 772 R HN 0.897 nan 8.270 nan 0.000 0.465 773 D N 1.036 121.488 120.400 0.086 0.000 2.451 773 D HA 0.648 5.288 4.640 -0.000 0.000 0.259 773 D C 0.233 176.586 176.300 0.088 0.000 1.201 773 D CA 0.037 54.096 54.000 0.097 0.000 1.028 773 D CB 1.595 42.432 40.800 0.063 0.000 1.095 773 D HN 0.599 nan 8.370 nan 0.000 0.539 774 G N -0.456 108.409 108.800 0.108 0.000 2.322 774 G HA2 0.306 4.266 3.960 -0.000 0.000 0.295 774 G HA3 0.306 4.266 3.960 -0.000 0.000 0.295 774 G C -2.937 172.026 174.900 0.105 0.000 1.369 774 G CA -0.897 44.242 45.100 0.065 0.000 0.821 774 G HN 0.420 nan 8.290 nan 0.000 0.536 775 P HA 0.291 nan 4.420 nan 0.000 0.272 775 P C 0.633 177.794 177.300 -0.231 0.000 1.223 775 P CA 0.267 63.355 63.100 -0.021 0.000 0.784 775 P CB 1.141 32.785 31.700 -0.093 0.000 0.923 776 G N 2.501 111.021 108.800 -0.467 0.000 3.574 776 G HA2 0.051 4.011 3.960 -0.000 0.000 0.262 776 G HA3 0.051 4.011 3.960 -0.000 0.000 0.262 776 G C 0.250 174.745 174.900 -0.675 0.000 1.231 776 G CA -0.303 44.157 45.100 -1.067 0.000 1.608 776 G HN 0.281 nan 8.290 nan 0.000 0.628 777 K N 0.957 121.001 120.400 -0.594 0.000 2.240 777 K HA 0.395 4.715 4.320 -0.000 0.000 0.271 777 K C -1.258 175.039 176.600 -0.504 0.000 1.018 777 K CA -0.426 55.631 56.287 -0.384 0.000 0.874 777 K CB 1.718 34.072 32.500 -0.243 0.000 1.098 777 K HN 0.272 nan 8.250 nan 0.000 0.458 778 Y N 0.645 120.869 120.300 -0.127 0.000 2.549 778 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 778 Y C 0.201 176.168 175.900 0.112 0.000 1.053 778 Y CA -0.801 57.299 58.100 -0.001 0.000 1.105 778 Y CB 2.141 40.631 38.460 0.050 0.000 1.258 778 Y HN 0.390 nan 8.280 nan 0.000 0.478 779 Q N 1.448 121.429 119.800 0.302 0.000 2.337 779 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 779 Q C -1.464 174.670 176.000 0.222 0.000 1.023 779 Q CA -1.248 54.702 55.803 0.245 0.000 0.829 779 Q CB 2.618 31.432 28.738 0.127 0.000 1.306 779 Q HN 0.555 nan 8.270 nan 0.000 0.449 780 L N 2.928 124.208 121.223 0.095 0.000 2.534 780 L HA 0.042 4.382 4.340 -0.000 0.000 0.271 780 L C -0.322 176.650 176.870 0.171 0.000 1.178 780 L CA 0.795 55.515 54.840 -0.201 0.000 0.907 780 L CB 0.100 42.131 42.059 -0.046 0.000 1.164 780 L HN 0.784 nan 8.230 nan 0.000 0.482 781 F N 5.237 125.213 119.950 0.044 0.000 2.490 781 F HA 0.673 5.199 4.527 -0.000 0.000 0.280 781 F C 0.523 176.431 175.800 0.181 0.000 1.030 781 F CA 0.403 58.454 58.000 0.085 0.000 1.367 781 F CB 0.183 39.294 39.000 0.186 0.000 1.131 781 F HN 0.581 nan 8.300 nan 0.000 0.632 782 A N -0.081 122.798 122.820 0.098 0.000 2.612 782 A HA 0.623 4.943 4.320 -0.000 0.000 0.293 782 A C -1.843 176.001 177.584 0.434 0.000 1.075 782 A CA -0.266 51.806 52.037 0.060 0.000 0.680 782 A CB 0.601 19.287 19.000 -0.524 0.000 1.279 782 A HN 0.536 nan 8.150 nan 0.000 0.411 783 F N -1.046 118.975 119.950 0.119 0.000 2.654 783 F HA 0.848 5.375 4.527 -0.000 0.000 0.308 783 F C -1.360 174.416 175.800 -0.040 0.000 1.108 783 F CA -1.085 56.862 58.000 -0.088 0.000 0.957 783 F CB 1.230 39.845 39.000 -0.641 0.000 1.309 783 F HN 0.389 nan 8.300 nan 0.000 0.446 784 I N 2.345 122.977 120.570 0.104 0.000 2.378 784 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 784 I C -0.710 175.584 176.117 0.296 0.000 0.992 784 I CA -0.588 60.802 61.300 0.150 0.000 1.154 784 I CB 2.097 40.194 38.000 0.162 0.000 1.315 784 I HN 0.655 nan 8.210 nan 0.000 0.448 785 S N 4.568 120.472 115.700 0.339 0.000 2.454 785 S HA 0.304 4.774 4.470 -0.000 0.000 0.306 785 S C -0.548 174.260 174.600 0.347 0.000 1.100 785 S CA -0.537 57.876 58.200 0.356 0.000 1.087 785 S CB 0.834 64.206 63.200 0.287 0.000 1.019 785 S HN 0.503 nan 8.310 nan 0.000 0.480 786 H N 4.147 123.309 119.070 0.153 0.000 2.652 786 H HA 0.370 4.926 4.556 -0.000 0.000 0.298 786 H C -0.979 174.249 175.328 -0.167 0.000 1.076 786 H CA -0.358 55.507 56.048 -0.304 0.000 1.360 786 H CB 0.276 29.790 29.762 -0.413 0.000 1.421 786 H HN 0.516 nan 8.280 nan 0.000 0.464 787 M N 4.762 124.028 119.600 -0.556 0.000 2.113 787 M HA 0.359 4.839 4.480 -0.000 0.000 0.352 787 M C 0.326 176.353 176.300 -0.455 0.000 1.170 787 M CA 0.090 55.199 55.300 -0.319 0.000 1.053 787 M CB 1.889 34.417 32.600 -0.119 0.000 1.601 787 M HN 0.932 nan 8.290 nan 0.000 0.459 788 G N 0.868 109.523 108.800 -0.242 0.000 2.369 788 G HA2 0.073 4.033 3.960 -0.000 0.000 0.307 788 G HA3 0.073 4.033 3.960 -0.000 0.000 0.307 788 G C -0.151 174.739 174.900 -0.017 0.000 1.327 788 G CA -0.172 44.843 45.100 -0.141 0.000 0.963 788 G HN 0.620 nan 8.290 nan 0.000 0.590 789 T N -2.803 111.759 114.554 0.014 0.000 3.044 789 T HA 0.552 4.902 4.350 -0.000 0.000 0.260 789 T C 1.013 175.741 174.700 0.047 0.000 1.019 789 T CA 1.067 63.190 62.100 0.039 0.000 0.921 789 T CB 0.571 69.463 68.868 0.039 0.000 1.053 789 T HN 1.193 nan 8.240 nan 0.000 0.533 790 S N 0.246 115.978 115.700 0.053 0.000 2.565 790 S HA 0.414 4.884 4.470 -0.000 0.000 0.290 790 S C 1.253 175.875 174.600 0.037 0.000 1.150 790 S CA -0.445 57.772 58.200 0.028 0.000 1.058 790 S CB 1.328 64.520 63.200 -0.013 0.000 1.032 790 S HN 0.222 nan 8.310 nan 0.000 0.510 791 T N 4.210 118.747 114.554 -0.029 0.000 2.867 791 T HA -0.001 4.349 4.350 -0.000 0.000 0.268 791 T C 1.486 176.128 174.700 -0.097 0.000 1.057 791 T CA 1.399 63.444 62.100 -0.093 0.000 1.136 791 T CB -0.200 68.617 68.868 -0.086 0.000 0.874 791 T HN 0.638 nan 8.240 nan 0.000 0.466 792 M N 0.117 119.673 119.600 -0.074 0.000 2.441 792 M HA 0.239 4.719 4.480 -0.000 0.000 0.244 792 M C 0.653 176.897 176.300 -0.093 0.000 1.122 792 M CA -0.092 55.149 55.300 -0.099 0.000 1.041 792 M CB 0.280 32.801 32.600 -0.131 0.000 1.438 792 M HN 0.409 nan 8.290 nan 0.000 0.484 793 c N -2.435 116.141 118.600 -0.040 0.000 3.284 793 c HA 0.974 5.544 4.570 -0.000 0.000 0.348 793 c C 0.053 174.172 174.090 0.048 0.000 1.448 793 c CA -0.256 56.069 56.329 -0.007 0.000 1.223 793 c CB 1.048 43.500 42.510 -0.096 0.000 1.588 793 c HN 0.584 nan 8.230 nan 0.000 0.451 794 G N -0.167 108.614 108.800 -0.032 0.000 2.352 794 G HA2 0.491 4.451 3.960 -0.000 0.000 0.283 794 G HA3 0.491 4.451 3.960 -0.000 0.000 0.283 794 G C -2.202 172.591 174.900 -0.179 0.000 1.308 794 G CA -0.121 44.845 45.100 -0.224 0.000 0.892 794 G HN 1.714 nan 8.290 nan 0.000 0.504 795 H N -1.179 117.635 119.070 -0.427 0.000 2.637 795 H HA 0.734 5.290 4.556 -0.000 0.000 0.363 795 H C -1.585 173.570 175.328 -0.288 0.000 1.131 795 H CA -0.633 55.271 56.048 -0.239 0.000 1.183 795 H CB 1.566 31.249 29.762 -0.132 0.000 1.637 795 H HN 0.502 nan 8.280 nan 0.000 0.531 796 Y N 4.604 124.592 120.300 -0.521 0.000 2.331 796 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 796 Y C -0.117 175.593 175.900 -0.316 0.000 0.976 796 Y CA -0.668 57.285 58.100 -0.246 0.000 1.137 796 Y CB 1.311 39.743 38.460 -0.046 0.000 1.172 796 Y HN 0.496 nan 8.280 nan 0.000 0.478 797 V N 0.680 120.631 119.914 0.062 0.000 3.103 797 V HA 0.823 4.943 4.120 -0.000 0.000 0.318 797 V C -0.208 175.901 176.094 0.024 0.000 1.114 797 V CA -1.313 60.999 62.300 0.019 0.000 1.020 797 V CB 1.466 33.298 31.823 0.016 0.000 1.085 797 V HN 0.906 nan 8.190 nan 0.000 0.446 798 C N 0.537 119.788 119.300 -0.081 0.000 2.889 798 C HA 0.879 5.339 4.460 -0.000 0.000 0.307 798 C C -0.712 174.094 174.990 -0.306 0.000 1.251 798 C CA -0.406 58.522 59.018 -0.150 0.000 1.593 798 C CB 0.657 28.314 27.740 -0.138 0.000 2.104 798 C HN 1.093 nan 8.230 nan 0.000 0.476 799 H N 0.750 119.565 119.070 -0.424 0.000 2.658 799 H HA 0.761 5.317 4.556 -0.000 0.000 0.337 799 H C -0.525 174.741 175.328 -0.104 0.000 1.009 799 H CA -0.158 55.682 56.048 -0.348 0.000 1.231 799 H CB 1.324 30.535 29.762 -0.919 0.000 1.508 799 H HN 0.703 nan 8.280 nan 0.000 0.517 800 I N 2.143 122.828 120.570 0.191 0.000 2.569 800 I HA 0.297 4.467 4.170 -0.000 0.000 0.296 800 I C -0.314 175.692 176.117 -0.186 0.000 1.028 800 I CA -1.071 60.169 61.300 -0.100 0.000 1.082 800 I CB 2.180 40.041 38.000 -0.231 0.000 1.264 800 I HN 0.326 nan 8.210 nan 0.000 0.429 801 K N 5.741 125.679 120.400 -0.771 0.000 2.262 801 K HA 0.386 4.706 4.320 -0.000 0.000 0.282 801 K C -1.032 175.370 176.600 -0.330 0.000 1.066 801 K CA -0.295 55.461 56.287 -0.884 0.000 0.901 801 K CB 0.643 32.299 32.500 -1.407 0.000 1.089 801 K HN 0.480 nan 8.250 nan 0.000 0.476 802 K N 3.598 123.909 120.400 -0.149 0.000 2.443 802 K HA 0.146 4.466 4.320 -0.000 0.000 0.252 802 K C -0.861 175.767 176.600 0.047 0.000 0.933 802 K CA -0.716 55.583 56.287 0.020 0.000 0.792 802 K CB 1.784 34.357 32.500 0.121 0.000 1.185 802 K HN 0.677 nan 8.250 nan 0.000 0.425 803 E N 0.892 121.125 120.200 0.055 0.000 2.328 803 E HA -0.288 4.061 4.350 -0.000 0.000 0.233 803 E C 0.478 177.083 176.600 0.009 0.000 1.219 803 E CA 0.629 57.058 56.400 0.049 0.000 0.717 803 E CB -1.384 28.370 29.700 0.090 0.000 1.210 803 E HN 1.166 nan 8.360 nan 0.000 0.381 804 G N 0.184 108.964 108.800 -0.034 0.000 2.159 804 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.256 804 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.256 804 G C 0.153 175.005 174.900 -0.080 0.000 0.977 804 G CA 0.542 45.609 45.100 -0.055 0.000 0.652 804 G HN 0.432 nan 8.290 nan 0.000 0.531 805 R N -0.878 119.560 120.500 -0.104 0.000 2.725 805 R HA 0.523 4.863 4.340 -0.000 0.000 0.277 805 R C -1.167 175.079 176.300 -0.091 0.000 0.987 805 R CA -1.078 54.991 56.100 -0.052 0.000 0.901 805 R CB 0.987 31.296 30.300 0.015 0.000 1.207 805 R HN 0.093 nan 8.270 nan 0.000 0.463 806 W N 2.312 123.641 121.300 0.048 0.000 2.316 806 W HA 0.445 5.105 4.660 -0.000 0.000 0.321 806 W C -0.324 176.213 176.519 0.030 0.000 1.203 806 W CA -0.264 57.114 57.345 0.054 0.000 1.214 806 W CB 1.642 31.149 29.460 0.078 0.000 1.169 806 W HN 0.122 nan 8.180 nan 0.000 0.561 807 V N 5.374 125.474 119.914 0.310 0.000 2.656 807 V HA 0.391 4.511 4.120 -0.000 0.000 0.307 807 V C -0.556 175.502 176.094 -0.060 0.000 1.051 807 V CA -1.325 61.004 62.300 0.049 0.000 0.893 807 V CB 1.808 33.605 31.823 -0.043 0.000 0.999 807 V HN 0.457 nan 8.190 nan 0.000 0.426 808 I N 4.095 124.496 120.570 -0.282 0.000 2.331 808 I HA 0.506 4.675 4.170 -0.000 0.000 0.292 808 I C -1.363 174.437 176.117 -0.529 0.000 0.998 808 I CA -0.332 60.642 61.300 -0.544 0.000 1.267 808 I CB 0.808 38.512 38.000 -0.493 0.000 1.386 808 I HN 0.616 nan 8.210 nan 0.000 0.476 809 Y N 6.519 126.645 120.300 -0.290 0.000 2.369 809 Y HA 0.376 4.926 4.550 -0.000 0.000 0.337 809 Y C 0.086 175.893 175.900 -0.155 0.000 0.961 809 Y CA -0.623 57.368 58.100 -0.181 0.000 1.186 809 Y CB 0.832 39.194 38.460 -0.164 0.000 1.139 809 Y HN 0.492 nan 8.280 nan 0.000 0.494 810 N N 4.607 123.308 118.700 0.002 0.000 2.682 810 N HA 0.176 4.916 4.740 -0.000 0.000 0.252 810 N C -0.421 175.126 175.510 0.063 0.000 1.081 810 N CA -0.041 53.037 53.050 0.047 0.000 0.844 810 N CB 0.202 38.714 38.487 0.041 0.000 1.167 810 N HN 0.750 nan 8.380 nan 0.000 0.523 811 D N 1.300 121.736 120.400 0.059 0.000 3.899 811 D HA -0.329 4.310 4.640 -0.000 0.000 0.146 811 D C 0.866 177.176 176.300 0.017 0.000 0.820 811 D CA 1.700 55.720 54.000 0.034 0.000 1.056 811 D CB -0.323 40.514 40.800 0.062 0.000 0.474 811 D HN 0.552 nan 8.370 nan 0.000 0.457 812 Q N 0.904 120.707 119.800 0.006 0.000 2.291 812 Q HA 0.028 4.368 4.340 -0.000 0.000 0.205 812 Q C 0.305 176.293 176.000 -0.020 0.000 0.970 812 Q CA 1.132 56.931 55.803 -0.008 0.000 0.876 812 Q CB 0.110 28.843 28.738 -0.007 0.000 0.935 812 Q HN 0.243 nan 8.270 nan 0.000 0.455 813 K N 0.610 120.991 120.400 -0.031 0.000 2.227 813 K HA 0.359 4.679 4.320 -0.000 0.000 0.280 813 K C -1.203 175.311 176.600 -0.142 0.000 1.041 813 K CA -0.337 55.903 56.287 -0.079 0.000 0.905 813 K CB 1.964 34.424 32.500 -0.068 0.000 1.068 813 K HN -0.190 nan 8.250 nan 0.000 0.470 814 V N 4.088 123.867 119.914 -0.224 0.000 2.357 814 V HA 0.219 4.339 4.120 -0.000 0.000 0.281 814 V C -0.537 175.324 176.094 -0.389 0.000 1.015 814 V CA -0.796 61.288 62.300 -0.360 0.000 0.827 814 V CB 0.883 32.525 31.823 -0.301 0.000 1.018 814 V HN 0.897 nan 8.190 nan 0.000 0.432 815 C N 2.774 121.861 119.300 -0.355 0.000 2.779 815 C HA 0.871 5.331 4.460 -0.000 0.000 0.314 815 C C 0.808 175.666 174.990 -0.220 0.000 1.231 815 C CA -1.100 57.757 59.018 -0.269 0.000 1.652 815 C CB 1.755 29.386 27.740 -0.182 0.000 2.198 815 C HN 0.900 nan 8.230 nan 0.000 0.483 816 A N 1.694 124.417 122.820 -0.161 0.000 2.444 816 A HA 0.482 4.802 4.320 -0.000 0.000 0.273 816 A C 0.368 177.947 177.584 -0.008 0.000 1.136 816 A CA 0.381 52.372 52.037 -0.077 0.000 0.799 816 A CB 0.085 19.041 19.000 -0.072 0.000 1.081 816 A HN 0.872 nan 8.150 nan 0.000 0.509 817 S N 1.505 117.248 115.700 0.072 0.000 2.545 817 S HA 0.269 4.739 4.470 -0.000 0.000 0.275 817 S C 0.778 175.447 174.600 0.116 0.000 1.299 817 S CA -0.516 57.759 58.200 0.125 0.000 1.048 817 S CB 0.425 63.782 63.200 0.262 0.000 0.938 817 S HN 0.722 nan 8.310 nan 0.000 0.496 818 E N 3.598 123.837 120.200 0.065 0.000 2.067 818 E HA 0.196 4.546 4.350 -0.000 0.000 0.194 818 E C 0.731 177.347 176.600 0.026 0.000 0.950 818 E CA 0.681 57.113 56.400 0.054 0.000 0.872 818 E CB -0.663 29.055 29.700 0.030 0.000 0.877 818 E HN 0.637 nan 8.360 nan 0.000 0.470 819 K N 4.142 124.537 120.400 -0.008 0.000 2.184 819 K HA 0.303 4.623 4.320 -0.000 0.000 0.259 819 K C -2.432 174.104 176.600 -0.108 0.000 1.119 819 K CA -1.607 54.649 56.287 -0.052 0.000 0.991 819 K CB -0.707 31.769 32.500 -0.039 0.000 1.522 819 K HN 0.028 nan 8.250 nan 0.000 0.405 820 P HA 0.279 nan 4.420 nan 0.000 0.280 820 P C -2.686 174.428 177.300 -0.310 0.000 1.244 820 P CA -1.921 60.959 63.100 -0.366 0.000 0.784 820 P CB 1.091 32.418 31.700 -0.622 0.000 0.913 821 P HA 0.184 nan 4.420 nan 0.000 0.231 821 P C 0.418 177.578 177.300 -0.234 0.000 1.756 821 P CA -0.047 62.966 63.100 -0.144 0.000 0.990 821 P CB -0.309 31.367 31.700 -0.040 0.000 1.973 822 K N 0.791 120.932 120.400 -0.432 0.000 2.360 822 K HA -0.138 4.181 4.320 -0.000 0.000 0.201 822 K C 1.238 177.604 176.600 -0.389 0.000 1.046 822 K CA 1.274 57.126 56.287 -0.725 0.000 0.940 822 K CB -0.102 32.093 32.500 -0.509 0.000 0.748 822 K HN 0.431 nan 8.250 nan 0.000 0.465 823 D N -0.408 119.859 120.400 -0.221 0.000 2.369 823 D HA -0.043 4.596 4.640 -0.000 0.000 0.211 823 D C 0.894 177.175 176.300 -0.033 0.000 1.077 823 D CA 0.229 54.156 54.000 -0.122 0.000 0.842 823 D CB 0.287 41.024 40.800 -0.105 0.000 0.947 823 D HN 0.043 nan 8.370 nan 0.000 0.509 824 L N 0.711 121.931 121.223 -0.004 0.000 2.858 824 L HA 0.393 4.733 4.340 -0.000 0.000 0.251 824 L C 1.316 178.274 176.870 0.147 0.000 1.149 824 L CA -0.290 54.586 54.840 0.061 0.000 0.955 824 L CB 0.580 42.665 42.059 0.042 0.000 1.289 824 L HN -0.013 nan 8.230 nan 0.000 0.542 825 G N -2.029 106.881 108.800 0.183 0.000 2.621 825 G HA2 0.140 4.100 3.960 -0.000 0.000 0.271 825 G HA3 0.140 4.100 3.960 -0.000 0.000 0.271 825 G C 0.044 175.133 174.900 0.314 0.000 1.236 825 G CA 0.079 45.286 45.100 0.178 0.000 0.958 825 G HN 0.101 nan 8.290 nan 0.000 0.512 826 Y N -0.840 119.511 120.300 0.085 0.000 2.736 826 Y HA 0.440 4.990 4.550 -0.000 0.000 0.272 826 Y C 0.549 176.533 175.900 0.141 0.000 1.118 826 Y CA -0.268 57.935 58.100 0.172 0.000 1.248 826 Y CB 0.391 39.003 38.460 0.253 0.000 1.437 826 Y HN 0.247 nan 8.280 nan 0.000 0.481 827 I N 1.661 122.172 120.570 -0.098 0.000 2.410 827 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 827 I C -1.591 174.413 176.117 -0.188 0.000 1.009 827 I CA -0.835 60.321 61.300 -0.239 0.000 1.111 827 I CB 1.304 39.097 38.000 -0.345 0.000 1.262 827 I HN -0.075 nan 8.210 nan 0.000 0.443 828 Y N 5.299 125.533 120.300 -0.109 0.000 2.420 828 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 828 Y C -0.546 175.256 175.900 -0.164 0.000 1.094 828 Y CA -0.595 57.538 58.100 0.056 0.000 1.126 828 Y CB 1.478 40.014 38.460 0.128 0.000 1.217 828 Y HN 0.302 nan 8.280 nan 0.000 0.462 829 F N 2.169 122.292 119.950 0.288 0.000 2.434 829 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 829 F C -1.126 174.859 175.800 0.309 0.000 1.115 829 F CA -1.123 57.093 58.000 0.360 0.000 1.010 829 F CB 0.578 39.858 39.000 0.466 0.000 1.234 829 F HN 0.348 nan 8.300 nan 0.000 0.439 830 Y N 2.269 122.783 120.300 0.358 0.000 2.326 830 Y HA 0.299 4.849 4.550 -0.000 0.000 0.337 830 Y C 0.301 176.363 175.900 0.271 0.000 1.023 830 Y CA -0.469 57.776 58.100 0.242 0.000 1.143 830 Y CB 1.211 39.593 38.460 -0.131 0.000 1.183 830 Y HN 0.462 nan 8.280 nan 0.000 0.485 831 Q N 4.595 124.549 119.800 0.257 0.000 2.296 831 Q HA 0.210 4.550 4.340 -0.000 0.000 0.257 831 Q C -0.122 175.846 176.000 -0.053 0.000 0.942 831 Q CA -0.799 54.870 55.803 -0.222 0.000 0.939 831 Q CB 0.692 29.233 28.738 -0.328 0.000 1.198 831 Q HN 0.621 nan 8.270 nan 0.000 0.429 832 R N 3.197 123.552 120.500 -0.242 0.000 2.484 832 R HA -0.040 4.300 4.340 -0.000 0.000 0.293 832 R C 1.132 177.233 176.300 -0.332 0.000 1.023 832 R CA 0.079 55.862 56.100 -0.528 0.000 1.037 832 R CB 0.696 30.701 30.300 -0.491 0.000 0.951 832 R HN 0.747 nan 8.270 nan 0.000 0.418 833 V N 4.471 124.207 119.914 -0.296 0.000 2.287 833 V HA -0.204 3.915 4.120 -0.000 0.000 0.248 833 V C 1.695 177.698 176.094 -0.151 0.000 1.053 833 V CA 2.421 64.619 62.300 -0.170 0.000 1.027 833 V CB -0.586 31.166 31.823 -0.118 0.000 0.646 833 V HN 0.867 nan 8.190 nan 0.000 0.447 834 A N 0.324 123.041 122.820 -0.172 0.000 2.248 834 A HA 0.269 4.588 4.320 -0.000 0.000 0.210 834 A C 1.219 178.743 177.584 -0.100 0.000 1.174 834 A CA 0.973 52.938 52.037 -0.120 0.000 0.750 834 A CB -0.755 18.176 19.000 -0.115 0.000 0.780 834 A HN 1.083 nan 8.150 nan 0.000 0.478 835 S N 0.000 115.627 115.700 -0.122 0.000 2.498 835 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 835 S CA 0.000 58.149 58.200 -0.084 0.000 1.107 835 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 835 S HN 0.000 nan 8.310 nan 0.000 0.517