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 2oqe_1_F DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DCKGVIHYLD AHFSDRAGDP ITVKNAVCIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANXE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.585 177.584 0.001 0.000 1.274 17 A CA 0.000 52.039 52.037 0.003 0.000 0.836 17 A CB 0.000 19.003 19.000 0.006 0.000 0.831 18 P HA 0.567 nan 4.420 nan 0.000 0.274 18 P C 0.257 177.558 177.300 0.002 0.000 1.231 18 P CA 0.022 63.121 63.100 -0.002 0.000 0.790 18 P CB 1.004 32.702 31.700 -0.004 0.000 0.951 19 A N 3.027 125.849 122.820 0.003 0.000 2.511 19 A HA 0.118 4.448 4.320 0.016 0.000 0.242 19 A C 0.682 178.273 177.584 0.011 0.000 1.069 19 A CA -0.246 51.795 52.037 0.008 0.000 0.763 19 A CB -0.208 18.798 19.000 0.009 0.000 1.001 19 A HN 0.538 nan 8.150 nan 0.000 0.498 20 R N 1.794 122.301 120.500 0.011 0.000 2.756 20 R HA 0.198 4.548 4.340 0.016 0.000 0.264 20 R C -1.835 174.479 176.300 0.023 0.000 1.026 20 R CA -0.671 55.435 56.100 0.010 0.000 1.121 20 R CB 0.039 30.341 30.300 0.002 0.000 0.999 20 R HN 0.654 nan 8.270 nan 0.000 0.449 21 P HA 0.067 nan 4.420 nan 0.000 0.276 21 P C -0.321 177.025 177.300 0.076 0.000 1.261 21 P CA -0.208 62.927 63.100 0.059 0.000 0.800 21 P CB 0.825 32.569 31.700 0.074 0.000 1.066 22 A N 0.025 122.915 122.820 0.116 0.000 2.024 22 A HA -0.129 4.201 4.320 0.016 0.000 0.220 22 A C 1.130 178.841 177.584 0.213 0.000 1.164 22 A CA 1.464 53.593 52.037 0.152 0.000 0.643 22 A CB -0.821 18.277 19.000 0.163 0.000 0.806 22 A HN 0.736 nan 8.150 nan 0.000 0.451 23 H N -2.444 116.678 119.070 0.087 0.000 2.954 23 H HA 0.312 4.877 4.556 0.016 0.000 0.361 23 H C -2.714 172.575 175.328 -0.065 0.000 1.122 23 H CA -1.503 54.590 56.048 0.074 0.000 1.217 23 H CB 2.000 31.872 29.762 0.183 0.000 1.776 23 H HN -0.098 nan 8.280 nan 0.000 0.533 24 P HA -0.036 nan 4.420 nan 0.000 0.221 24 P C 1.203 178.483 177.300 -0.033 0.000 1.145 24 P CA 0.971 63.932 63.100 -0.232 0.000 0.795 24 P CB 0.341 31.755 31.700 -0.478 0.000 0.775 25 L N -1.951 119.341 121.223 0.116 0.000 2.607 25 L HA 0.151 4.501 4.340 0.016 0.000 0.228 25 L C 0.256 177.082 176.870 -0.072 0.000 1.123 25 L CA -0.214 54.515 54.840 -0.185 0.000 0.890 25 L CB -0.440 41.258 42.059 -0.601 0.000 1.103 25 L HN -0.145 nan 8.230 nan 0.000 0.468 26 D N 2.013 122.492 120.400 0.130 0.000 2.455 26 D HA 0.101 4.750 4.640 0.016 0.000 0.241 26 D C -2.022 174.387 176.300 0.182 0.000 1.138 26 D CA -0.971 53.184 54.000 0.257 0.000 0.877 26 D CB 0.626 41.562 40.800 0.227 0.000 1.187 26 D HN -0.050 nan 8.370 nan 0.000 0.451 27 P HA 0.039 nan 4.420 nan 0.000 0.270 27 P C 0.073 177.470 177.300 0.162 0.000 1.223 27 P CA -0.332 62.882 63.100 0.188 0.000 0.785 27 P CB 0.503 32.336 31.700 0.221 0.000 0.923 28 L N 0.746 122.063 121.223 0.157 0.000 2.540 28 L HA 0.014 4.364 4.340 0.016 0.000 0.276 28 L C 1.331 178.267 176.870 0.109 0.000 1.212 28 L CA 0.150 55.062 54.840 0.121 0.000 0.893 28 L CB -0.320 41.812 42.059 0.121 0.000 1.138 28 L HN 0.511 nan 8.230 nan 0.000 0.491 29 S N 0.325 116.053 115.700 0.047 0.000 2.608 29 S HA 0.089 4.568 4.470 0.016 0.000 0.261 29 S C 1.351 175.889 174.600 -0.104 0.000 1.314 29 S CA -0.204 57.970 58.200 -0.043 0.000 0.992 29 S CB 1.235 64.407 63.200 -0.047 0.000 0.935 29 S HN 0.779 nan 8.310 nan 0.000 0.564 30 T N -1.116 113.279 114.554 -0.265 0.000 2.759 30 T HA -0.133 4.227 4.350 0.016 0.000 0.269 30 T C 1.968 176.605 174.700 -0.104 0.000 1.042 30 T CA 1.220 63.200 62.100 -0.199 0.000 1.140 30 T CB -1.142 67.569 68.868 -0.262 0.000 0.864 30 T HN 0.903 nan 8.240 nan 0.000 0.455 31 A N 1.791 124.556 122.820 -0.092 0.000 1.933 31 A HA -0.080 4.249 4.320 0.016 0.000 0.218 31 A C 2.328 179.889 177.584 -0.038 0.000 1.175 31 A CA 1.629 53.632 52.037 -0.056 0.000 0.628 31 A CB -0.677 18.296 19.000 -0.044 0.000 0.814 31 A HN 0.666 nan 8.150 nan 0.000 0.444 32 E N -0.440 119.744 120.200 -0.026 0.000 2.106 32 E HA -0.103 4.257 4.350 0.016 0.000 0.192 32 E C 1.867 178.463 176.600 -0.007 0.000 0.984 32 E CA 0.992 57.389 56.400 -0.005 0.000 0.806 32 E CB -0.233 29.478 29.700 0.018 0.000 0.750 32 E HN 0.696 nan 8.360 nan 0.000 0.458 33 I N 1.023 121.586 120.570 -0.012 0.000 2.142 33 I HA -0.280 3.899 4.170 0.016 0.000 0.240 33 I C 2.458 178.526 176.117 -0.081 0.000 1.078 33 I CA 1.014 62.300 61.300 -0.022 0.000 1.343 33 I CB -0.137 37.866 38.000 0.005 0.000 1.046 33 I HN -0.022 nan 8.210 nan 0.000 0.405 34 K N 1.453 121.806 120.400 -0.079 0.000 2.063 34 K HA -0.159 4.171 4.320 0.016 0.000 0.208 34 K C 2.026 178.575 176.600 -0.085 0.000 1.048 34 K CA 1.826 58.056 56.287 -0.096 0.000 0.928 34 K CB -0.471 31.987 32.500 -0.069 0.000 0.713 34 K HN 0.316 nan 8.250 nan 0.000 0.442 35 A N 0.241 123.029 122.820 -0.053 0.000 1.902 35 A HA -0.046 4.283 4.320 0.016 0.000 0.217 35 A C 2.343 179.906 177.584 -0.035 0.000 1.181 35 A CA 2.014 54.030 52.037 -0.034 0.000 0.623 35 A CB -0.979 18.012 19.000 -0.016 0.000 0.818 35 A HN 0.410 nan 8.150 nan 0.000 0.443 36 A N -0.268 122.529 122.820 -0.040 0.000 1.898 36 A HA -0.084 4.246 4.320 0.016 0.000 0.216 36 A C 2.465 179.999 177.584 -0.084 0.000 1.181 36 A CA 2.495 54.514 52.037 -0.029 0.000 0.620 36 A CB -1.355 17.651 19.000 0.012 0.000 0.819 36 A HN 0.765 nan 8.150 nan 0.000 0.442 37 T N -1.984 112.444 114.554 -0.210 0.000 2.821 37 T HA -0.134 4.225 4.350 0.016 0.000 0.267 37 T C 1.661 176.291 174.700 -0.117 0.000 1.046 37 T CA 1.396 63.248 62.100 -0.414 0.000 1.139 37 T CB -0.563 67.728 68.868 -0.961 0.000 0.871 37 T HN 0.348 nan 8.240 nan 0.000 0.454 38 N N 1.434 120.085 118.700 -0.081 0.000 2.104 38 N HA -0.070 4.680 4.740 0.016 0.000 0.190 38 N C 2.070 177.598 175.510 0.031 0.000 1.024 38 N CA 1.875 54.920 53.050 -0.009 0.000 0.853 38 N CB -1.058 37.419 38.487 -0.016 0.000 1.008 38 N HN 0.503 nan 8.380 nan 0.000 0.424 39 T N 0.717 115.280 114.554 0.015 0.000 2.746 39 T HA -0.032 4.328 4.350 0.016 0.000 0.267 39 T C 2.137 176.866 174.700 0.049 0.000 1.039 39 T CA 0.836 62.952 62.100 0.027 0.000 1.142 39 T CB -0.262 68.611 68.868 0.007 0.000 0.866 39 T HN -0.024 nan 8.240 nan 0.000 0.444 40 V N 1.310 121.246 119.914 0.036 0.000 2.307 40 V HA -0.150 3.980 4.120 0.016 0.000 0.245 40 V C 2.457 178.713 176.094 0.269 0.000 1.045 40 V CA 1.521 63.858 62.300 0.063 0.000 1.024 40 V CB -0.494 31.274 31.823 -0.091 0.000 0.651 40 V HN 0.430 nan 8.190 nan 0.000 0.449 41 K N 0.208 120.777 120.400 0.282 0.000 2.089 41 K HA -0.206 4.123 4.320 0.016 0.000 0.210 41 K C 2.346 179.052 176.600 0.177 0.000 1.048 41 K CA 2.017 58.449 56.287 0.242 0.000 0.926 41 K CB -0.321 32.298 32.500 0.197 0.000 0.714 41 K HN 0.406 nan 8.250 nan 0.000 0.448 42 S N -0.230 115.547 115.700 0.128 0.000 2.414 42 S HA -0.112 4.367 4.470 0.016 0.000 0.227 42 S C 1.617 176.246 174.600 0.049 0.000 1.022 42 S CA 0.633 58.879 58.200 0.076 0.000 0.958 42 S CB -0.256 62.976 63.200 0.053 0.000 0.797 42 S HN 0.339 nan 8.310 nan 0.000 0.493 43 Y N 1.139 121.389 120.300 -0.085 0.000 2.242 43 Y HA 0.021 4.580 4.550 0.016 0.000 0.291 43 Y C 0.462 176.132 175.900 -0.384 0.000 1.137 43 Y CA 1.135 59.079 58.100 -0.260 0.000 1.181 43 Y CB -0.062 38.168 38.460 -0.384 0.000 0.989 43 Y HN 0.160 nan 8.280 nan 0.000 0.527 44 F N 1.215 121.226 119.950 0.102 0.000 2.987 44 F HA 0.434 4.970 4.527 0.016 0.000 0.302 44 F C 0.744 176.535 175.800 -0.014 0.000 1.221 44 F CA -0.570 57.444 58.000 0.023 0.000 1.307 44 F CB -0.764 38.265 39.000 0.049 0.000 1.108 44 F HN -0.001 nan 8.300 nan 0.000 0.521 45 A N 0.299 123.145 122.820 0.042 0.000 2.548 45 A HA 0.397 4.726 4.320 0.016 0.000 0.247 45 A C 1.537 179.142 177.584 0.036 0.000 1.067 45 A CA 0.861 52.915 52.037 0.028 0.000 0.757 45 A CB -0.561 18.424 19.000 -0.025 0.000 0.996 45 A HN 1.179 nan 8.150 nan 0.000 0.504 46 G N 1.885 110.710 108.800 0.042 0.000 2.176 46 G HA2 -0.238 3.732 3.960 0.016 0.000 0.253 46 G HA3 -0.238 3.732 3.960 0.016 0.000 0.253 46 G C 0.230 175.152 174.900 0.038 0.000 0.979 46 G CA 0.816 45.935 45.100 0.031 0.000 0.641 46 G HN 0.859 nan 8.290 nan 0.000 0.530 47 K N 0.294 120.731 120.400 0.062 0.000 2.138 47 K HA 0.495 4.824 4.320 0.016 0.000 0.263 47 K C 0.169 176.774 176.600 0.008 0.000 0.965 47 K CA -0.720 55.593 56.287 0.043 0.000 0.868 47 K CB 1.498 34.046 32.500 0.079 0.000 1.083 47 K HN 0.097 nan 8.250 nan 0.000 0.443 48 K N 5.153 125.540 120.400 -0.021 0.000 2.219 48 K HA 0.179 4.508 4.320 0.016 0.000 0.280 48 K C -0.567 175.979 176.600 -0.091 0.000 1.104 48 K CA -0.252 56.013 56.287 -0.037 0.000 0.925 48 K CB -0.154 32.330 32.500 -0.028 0.000 1.261 48 K HN 0.575 nan 8.250 nan 0.000 0.445 49 I N 0.414 120.911 120.570 -0.122 0.000 2.693 49 I HA 0.546 4.726 4.170 0.016 0.000 0.303 49 I C -0.629 175.345 176.117 -0.238 0.000 1.025 49 I CA -0.722 60.428 61.300 -0.249 0.000 1.086 49 I CB 2.222 39.977 38.000 -0.408 0.000 1.268 49 I HN 0.437 nan 8.210 nan 0.000 0.440 50 S N 3.506 119.027 115.700 -0.298 0.000 2.568 50 S HA 0.687 5.167 4.470 0.016 0.000 0.293 50 S C -1.054 173.349 174.600 -0.328 0.000 1.089 50 S CA -0.646 57.438 58.200 -0.194 0.000 0.945 50 S CB 1.409 64.566 63.200 -0.071 0.000 1.077 50 S HN 0.512 nan 8.310 nan 0.000 0.485 51 F N 2.627 122.555 119.950 -0.036 0.000 2.410 51 F HA 0.479 5.015 4.527 0.016 0.000 0.349 51 F C 1.683 177.470 175.800 -0.023 0.000 1.117 51 F CA -0.635 57.350 58.000 -0.025 0.000 1.104 51 F CB 1.409 40.403 39.000 -0.010 0.000 1.122 51 F HN 0.839 nan 8.300 nan 0.000 0.483 52 N N 1.081 119.844 118.700 0.105 0.000 2.499 52 N HA 0.023 4.772 4.740 0.016 0.000 0.182 52 N C -0.387 175.186 175.510 0.104 0.000 1.034 52 N CA 0.705 53.795 53.050 0.067 0.000 0.882 52 N CB 0.624 39.123 38.487 0.021 0.000 1.125 52 N HN 0.541 nan 8.380 nan 0.000 0.436 53 T N 0.846 115.442 114.554 0.071 0.000 2.971 53 T HA 0.458 4.817 4.350 0.016 0.000 0.304 53 T C -1.217 173.491 174.700 0.013 0.000 1.038 53 T CA -0.487 61.571 62.100 -0.069 0.000 1.007 53 T CB 2.648 71.327 68.868 -0.316 0.000 1.055 53 T HN -0.147 nan 8.240 nan 0.000 0.451 54 V N 2.821 122.761 119.914 0.043 0.000 2.447 54 V HA 0.772 4.901 4.120 0.016 0.000 0.292 54 V C -0.096 176.061 176.094 0.105 0.000 1.021 54 V CA -0.456 61.901 62.300 0.095 0.000 0.850 54 V CB 1.627 33.502 31.823 0.088 0.000 1.005 54 V HN 0.991 nan 8.190 nan 0.000 0.426 55 T N 4.113 118.751 114.554 0.139 0.000 2.883 55 T HA 0.590 4.949 4.350 0.016 0.000 0.301 55 T C -1.148 173.686 174.700 0.223 0.000 1.158 55 T CA -0.540 61.679 62.100 0.198 0.000 1.007 55 T CB 1.591 70.583 68.868 0.206 0.000 1.186 55 T HN 0.550 nan 8.240 nan 0.000 0.499 56 L N 3.279 124.622 121.223 0.200 0.000 2.540 56 L HA 0.494 4.844 4.340 0.016 0.000 0.276 56 L C 0.306 177.264 176.870 0.147 0.000 1.212 56 L CA 0.140 55.073 54.840 0.154 0.000 0.893 56 L CB 0.310 42.443 42.059 0.124 0.000 1.138 56 L HN 0.600 nan 8.230 nan 0.000 0.491 57 R N 4.650 125.224 120.500 0.124 0.000 2.196 57 R HA 0.259 4.609 4.340 0.016 0.000 0.340 57 R C -0.470 175.847 176.300 0.029 0.000 1.043 57 R CA -0.012 56.130 56.100 0.069 0.000 0.883 57 R CB -0.087 30.263 30.300 0.082 0.000 1.078 57 R HN 0.739 nan 8.270 nan 0.000 0.462 58 E N 5.443 125.642 120.200 -0.001 0.000 2.398 58 E HA 0.104 4.464 4.350 0.016 0.000 0.263 58 E C -1.922 174.672 176.600 -0.009 0.000 1.046 58 E CA -1.465 54.922 56.400 -0.022 0.000 0.908 58 E CB 0.305 29.973 29.700 -0.052 0.000 0.963 58 E HN 0.527 nan 8.360 nan 0.000 0.431 59 P HA -0.022 nan 4.420 nan 0.000 0.270 59 P C -0.999 176.339 177.300 0.064 0.000 1.223 59 P CA -0.084 63.036 63.100 0.033 0.000 0.785 59 P CB 0.453 32.195 31.700 0.069 0.000 0.923 60 A N 2.166 125.027 122.820 0.069 0.000 2.531 60 A HA -0.018 4.312 4.320 0.016 0.000 0.236 60 A C 1.791 179.439 177.584 0.108 0.000 1.062 60 A CA 0.024 52.112 52.037 0.085 0.000 0.760 60 A CB -0.338 18.701 19.000 0.066 0.000 0.995 60 A HN 0.656 nan 8.150 nan 0.000 0.501 61 R N 1.437 121.985 120.500 0.081 0.000 2.094 61 R HA -0.193 4.156 4.340 0.016 0.000 0.239 61 R C 2.068 178.333 176.300 -0.059 0.000 1.137 61 R CA 2.260 58.309 56.100 -0.084 0.000 0.943 61 R CB -0.215 29.833 30.300 -0.419 0.000 0.850 61 R HN 0.868 nan 8.270 nan 0.000 0.433 62 K N -0.300 120.078 120.400 -0.037 0.000 2.009 62 K HA -0.144 4.185 4.320 0.016 0.000 0.210 62 K C 1.975 178.595 176.600 0.034 0.000 1.049 62 K CA 1.573 57.849 56.287 -0.018 0.000 0.929 62 K CB -0.222 32.275 32.500 -0.005 0.000 0.714 62 K HN 0.267 nan 8.250 nan 0.000 0.440 63 A N 0.334 123.193 122.820 0.065 0.000 1.908 63 A HA -0.228 4.102 4.320 0.016 0.000 0.218 63 A C 2.102 179.773 177.584 0.145 0.000 1.181 63 A CA 1.713 53.802 52.037 0.088 0.000 0.627 63 A CB -0.993 18.053 19.000 0.076 0.000 0.818 63 A HN 0.616 nan 8.150 nan 0.000 0.445 64 Y N 0.355 120.700 120.300 0.074 0.000 2.114 64 Y HA -0.178 4.382 4.550 0.015 0.000 0.284 64 Y C 2.036 178.072 175.900 0.228 0.000 1.143 64 Y CA 1.886 60.081 58.100 0.158 0.000 1.135 64 Y CB -0.285 38.270 38.460 0.158 0.000 0.980 64 Y HN 0.260 nan 8.280 nan 0.000 0.499 65 I N 0.171 120.807 120.570 0.111 0.000 2.286 65 I HA -0.346 3.833 4.170 0.016 0.000 0.248 65 I C 2.389 178.468 176.117 -0.063 0.000 1.115 65 I CA 1.565 62.862 61.300 -0.005 0.000 1.392 65 I CB -0.481 37.521 38.000 0.002 0.000 1.065 65 I HN 0.370 nan 8.210 nan 0.000 0.418 66 Q N -0.467 119.326 119.800 -0.012 0.000 2.084 66 Q HA -0.269 4.080 4.340 0.016 0.000 0.202 66 Q C 2.023 178.013 176.000 -0.017 0.000 0.978 66 Q CA 2.093 57.887 55.803 -0.014 0.000 0.844 66 Q CB -0.299 28.450 28.738 0.018 0.000 0.898 66 Q HN 0.639 nan 8.270 nan 0.000 0.426 67 W N 1.891 123.088 121.300 -0.172 0.000 2.355 67 W HA -0.177 4.492 4.660 0.015 0.000 0.309 67 W C 2.091 178.459 176.519 -0.251 0.000 1.206 67 W CA 1.448 58.675 57.345 -0.197 0.000 1.284 67 W CB -0.057 29.273 29.460 -0.216 0.000 1.145 67 W HN -0.109 nan 8.180 nan 0.000 0.502 68 K N 0.053 120.155 120.400 -0.497 0.000 2.057 68 K HA -0.186 4.143 4.320 0.016 0.000 0.206 68 K C 1.437 177.732 176.600 -0.509 0.000 1.050 68 K CA 2.058 57.884 56.287 -0.769 0.000 0.935 68 K CB -0.162 32.024 32.500 -0.524 0.000 0.715 68 K HN 0.285 nan 8.250 nan 0.000 0.439 69 E N -1.323 118.694 120.200 -0.306 0.000 2.508 69 E HA 0.038 4.397 4.350 0.016 0.000 0.217 69 E C 0.560 177.066 176.600 -0.158 0.000 0.896 69 E CA 0.005 56.286 56.400 -0.198 0.000 1.118 69 E CB 0.957 30.586 29.700 -0.118 0.000 1.133 69 E HN 0.218 nan 8.360 nan 0.000 0.526 70 Q N -0.327 119.384 119.800 -0.149 0.000 2.135 70 Q HA 0.220 4.570 4.340 0.016 0.000 0.222 70 Q C 0.321 176.264 176.000 -0.096 0.000 0.808 70 Q CA 0.199 55.943 55.803 -0.099 0.000 1.049 70 Q CB 1.719 30.419 28.738 -0.063 0.000 1.168 70 Q HN 0.287 nan 8.270 nan 0.000 0.483 71 G N 0.748 109.461 108.800 -0.145 0.000 2.225 71 G HA2 -0.283 3.687 3.960 0.016 0.000 0.267 71 G HA3 -0.283 3.687 3.960 0.016 0.000 0.267 71 G C 0.434 175.302 174.900 -0.053 0.000 1.024 71 G CA -0.024 45.004 45.100 -0.120 0.000 0.784 71 G HN 0.498 nan 8.290 nan 0.000 0.507 72 G N -0.018 108.765 108.800 -0.027 0.000 2.651 72 G HA2 0.599 4.569 3.960 0.016 0.000 0.260 72 G HA3 0.599 4.569 3.960 0.016 0.000 0.260 72 G C -1.289 173.696 174.900 0.142 0.000 1.216 72 G CA -0.303 44.828 45.100 0.052 0.000 0.913 72 G HN 0.339 nan 8.290 nan 0.000 0.535 73 P HA 0.146 nan 4.420 nan 0.000 0.275 73 P C -0.267 177.135 177.300 0.170 0.000 1.228 73 P CA -0.733 62.449 63.100 0.137 0.000 0.786 73 P CB 1.124 32.864 31.700 0.067 0.000 0.927 74 L N 5.226 126.519 121.223 0.116 0.000 2.584 74 L HA 0.148 4.498 4.340 0.016 0.000 0.272 74 L C -2.031 174.734 176.870 -0.175 0.000 1.195 74 L CA -1.177 53.547 54.840 -0.194 0.000 0.920 74 L CB -1.168 40.801 42.059 -0.150 0.000 1.173 74 L HN 0.296 nan 8.230 nan 0.000 0.489 75 P HA 0.129 nan 4.420 nan 0.000 0.267 75 P C -2.463 174.774 177.300 -0.105 0.000 1.200 75 P CA -0.803 62.227 63.100 -0.118 0.000 0.772 75 P CB -0.396 31.245 31.700 -0.097 0.000 0.855 76 P HA 0.070 nan 4.420 nan 0.000 0.267 76 P C -0.296 176.984 177.300 -0.033 0.000 1.200 76 P CA 0.012 63.093 63.100 -0.032 0.000 0.772 76 P CB 0.477 32.173 31.700 -0.006 0.000 0.855 77 R N 2.834 123.320 120.500 -0.024 0.000 2.196 77 R HA 0.434 4.783 4.340 0.016 0.000 0.340 77 R C -0.757 175.555 176.300 0.020 0.000 1.043 77 R CA -0.070 56.023 56.100 -0.010 0.000 0.883 77 R CB -0.691 29.602 30.300 -0.012 0.000 1.078 77 R HN 0.433 nan 8.270 nan 0.000 0.462 78 L N 3.181 124.425 121.223 0.036 0.000 2.362 78 L HA 0.769 5.119 4.340 0.016 0.000 0.271 78 L C -0.420 176.510 176.870 0.100 0.000 1.002 78 L CA -1.262 53.618 54.840 0.066 0.000 0.818 78 L CB 2.232 44.329 42.059 0.062 0.000 1.298 78 L HN 0.705 nan 8.230 nan 0.000 0.420 79 A N 2.054 124.952 122.820 0.131 0.000 2.330 79 A HA 0.598 4.927 4.320 0.016 0.000 0.327 79 A C -1.585 176.147 177.584 0.247 0.000 1.155 79 A CA -0.380 51.762 52.037 0.174 0.000 0.803 79 A CB 1.011 20.100 19.000 0.150 0.000 1.208 79 A HN 0.611 nan 8.150 nan 0.000 0.477 80 Y N 3.076 123.444 120.300 0.113 0.000 2.330 80 Y HA 0.593 5.153 4.550 0.016 0.000 0.336 80 Y C -0.868 175.112 175.900 0.133 0.000 1.036 80 Y CA -0.977 57.164 58.100 0.068 0.000 1.125 80 Y CB 0.877 39.358 38.460 0.035 0.000 1.194 80 Y HN 0.707 nan 8.280 nan 0.000 0.469 81 Y N 3.487 123.501 120.300 -0.478 0.000 2.499 81 Y HA 0.821 5.381 4.550 0.016 0.000 0.347 81 Y C -1.954 173.586 175.900 -0.600 0.000 0.987 81 Y CA -1.710 56.161 58.100 -0.383 0.000 1.044 81 Y CB 1.170 39.615 38.460 -0.026 0.000 1.245 81 Y HN 0.360 nan 8.280 nan 0.000 0.461 82 V N 5.171 124.952 119.914 -0.221 0.000 2.531 82 V HA 0.582 4.711 4.120 0.016 0.000 0.301 82 V C -0.202 175.869 176.094 -0.037 0.000 1.034 82 V CA -0.772 61.433 62.300 -0.158 0.000 0.865 82 V CB 1.340 33.103 31.823 -0.100 0.000 0.995 82 V HN 0.857 nan 8.190 nan 0.000 0.424 83 I N 2.274 122.783 120.570 -0.102 0.000 2.934 83 I HA 0.791 4.971 4.170 0.016 0.000 0.306 83 I C -1.492 174.476 176.117 -0.248 0.000 1.110 83 I CA -1.127 60.012 61.300 -0.269 0.000 1.019 83 I CB 2.223 39.921 38.000 -0.502 0.000 1.227 83 I HN 0.311 nan 8.210 nan 0.000 0.434 84 L N 2.529 123.599 121.223 -0.255 0.000 2.331 84 L HA 0.562 4.912 4.340 0.016 0.000 0.275 84 L C -0.214 176.513 176.870 -0.237 0.000 1.022 84 L CA -0.176 54.542 54.840 -0.203 0.000 0.812 84 L CB 1.599 43.576 42.059 -0.137 0.000 1.257 84 L HN 0.700 nan 8.230 nan 0.000 0.435 85 E N 1.303 121.386 120.200 -0.195 0.000 2.210 85 E HA 0.677 5.036 4.350 0.016 0.000 0.266 85 E C -0.917 175.617 176.600 -0.108 0.000 0.883 85 E CA -1.044 55.251 56.400 -0.176 0.000 0.761 85 E CB 1.687 31.272 29.700 -0.191 0.000 1.156 85 E HN 0.726 nan 8.360 nan 0.000 0.412 86 A N 2.736 125.504 122.820 -0.086 0.000 2.567 86 A HA 0.380 4.709 4.320 0.016 0.000 0.240 86 A C 1.231 178.788 177.584 -0.044 0.000 1.053 86 A CA 0.954 52.957 52.037 -0.056 0.000 0.755 86 A CB -0.475 18.500 19.000 -0.042 0.000 0.978 86 A HN 1.138 nan 8.150 nan 0.000 0.507 87 G N 1.485 110.264 108.800 -0.035 0.000 2.184 87 G HA2 -0.219 3.750 3.960 0.016 0.000 0.264 87 G HA3 -0.219 3.750 3.960 0.016 0.000 0.264 87 G C 0.207 175.092 174.900 -0.025 0.000 0.975 87 G CA 0.806 45.892 45.100 -0.024 0.000 0.642 87 G HN 0.768 nan 8.290 nan 0.000 0.536 88 K N 0.977 121.354 120.400 -0.038 0.000 2.221 88 K HA 0.533 4.862 4.320 0.016 0.000 0.258 88 K C -2.321 174.256 176.600 -0.038 0.000 0.944 88 K CA -1.729 54.536 56.287 -0.037 0.000 0.823 88 K CB 2.501 34.969 32.500 -0.052 0.000 1.113 88 K HN 0.167 nan 8.250 nan 0.000 0.431 89 P HA 0.218 nan 4.420 nan 0.000 0.277 89 P C 0.557 177.836 177.300 -0.035 0.000 1.240 89 P CA 0.182 63.270 63.100 -0.020 0.000 0.798 89 P CB 0.831 32.530 31.700 -0.002 0.000 0.979 90 G N 0.686 109.463 108.800 -0.038 0.000 2.550 90 G HA2 -0.082 3.887 3.960 0.016 0.000 0.277 90 G HA3 -0.082 3.887 3.960 0.016 0.000 0.277 90 G C -0.308 174.531 174.900 -0.101 0.000 1.190 90 G CA 0.489 45.551 45.100 -0.062 0.000 0.971 90 G HN 1.005 nan 8.290 nan 0.000 0.559 91 V N -3.703 116.133 119.914 -0.131 0.000 3.182 91 V HA 0.937 5.066 4.120 0.016 0.000 0.308 91 V C -0.512 175.500 176.094 -0.137 0.000 1.240 91 V CA -0.666 61.536 62.300 -0.164 0.000 1.063 91 V CB 1.916 33.594 31.823 -0.243 0.000 1.076 91 V HN 1.046 nan 8.190 nan 0.000 0.446 92 K N 1.033 121.349 120.400 -0.141 0.000 2.318 92 K HA 0.710 5.039 4.320 0.016 0.000 0.249 92 K C -1.004 175.539 176.600 -0.096 0.000 0.942 92 K CA -0.558 55.683 56.287 -0.077 0.000 0.808 92 K CB 2.360 34.821 32.500 -0.064 0.000 1.189 92 K HN 1.013 nan 8.250 nan 0.000 0.428 93 E N 0.415 120.535 120.200 -0.133 0.000 2.416 93 E HA 0.799 5.159 4.350 0.016 0.000 0.273 93 E C -0.460 175.785 176.600 -0.592 0.000 0.935 93 E CA -1.242 54.910 56.400 -0.414 0.000 0.784 93 E CB 2.251 31.856 29.700 -0.159 0.000 1.301 93 E HN 0.642 nan 8.360 nan 0.000 0.454 94 G N 0.204 108.322 108.800 -1.136 0.000 2.341 94 G HA2 0.398 4.367 3.960 0.016 0.000 0.299 94 G HA3 0.398 4.367 3.960 0.016 0.000 0.299 94 G C -1.820 172.778 174.900 -0.505 0.000 1.274 94 G CA -0.993 43.699 45.100 -0.679 0.000 0.853 94 G HN 0.409 nan 8.290 nan 0.000 0.493 95 L N -0.017 121.182 121.223 -0.041 0.000 2.381 95 L HA 0.709 5.058 4.340 0.016 0.000 0.268 95 L C -0.591 176.407 176.870 0.214 0.000 0.997 95 L CA -1.174 53.745 54.840 0.131 0.000 0.818 95 L CB 2.325 44.442 42.059 0.097 0.000 1.310 95 L HN 0.335 nan 8.230 nan 0.000 0.416 96 V N 1.430 121.476 119.914 0.219 0.000 2.417 96 V HA 0.204 4.333 4.120 0.016 0.000 0.291 96 V C -0.301 175.847 176.094 0.090 0.000 1.024 96 V CA -0.592 61.790 62.300 0.138 0.000 0.861 96 V CB 1.825 33.723 31.823 0.125 0.000 0.985 96 V HN 0.686 nan 8.190 nan 0.000 0.436 97 D N 4.415 124.850 120.400 0.058 0.000 2.325 97 D HA 0.175 4.824 4.640 0.016 0.000 0.251 97 D C 0.831 177.152 176.300 0.035 0.000 1.196 97 D CA -0.162 53.863 54.000 0.042 0.000 0.866 97 D CB 1.526 42.344 40.800 0.031 0.000 1.101 97 D HN 0.459 nan 8.370 nan 0.000 0.476 98 L N 3.635 124.878 121.223 0.033 0.000 2.313 98 L HA -0.061 4.288 4.340 0.016 0.000 0.214 98 L C 2.494 179.374 176.870 0.017 0.000 1.119 98 L CA 0.677 55.533 54.840 0.026 0.000 0.809 98 L CB -0.094 41.981 42.059 0.027 0.000 0.933 98 L HN 0.473 nan 8.230 nan 0.000 0.449 99 A N -0.180 122.648 122.820 0.014 0.000 1.897 99 A HA -0.156 4.173 4.320 0.016 0.000 0.215 99 A C 2.422 180.014 177.584 0.012 0.000 1.181 99 A CA 1.709 53.753 52.037 0.010 0.000 0.620 99 A CB -0.425 18.580 19.000 0.007 0.000 0.821 99 A HN 0.451 nan 8.150 nan 0.000 0.443 100 S N -1.175 114.534 115.700 0.016 0.000 2.548 100 S HA 0.310 4.789 4.470 0.016 0.000 0.215 100 S C 0.625 175.236 174.600 0.019 0.000 0.976 100 S CA 0.305 58.515 58.200 0.017 0.000 0.908 100 S CB -0.546 62.665 63.200 0.019 0.000 0.781 100 S HN 0.634 nan 8.310 nan 0.000 0.519 101 L N 1.914 123.149 121.223 0.019 0.000 3.660 101 L HA -0.172 4.178 4.340 0.016 0.000 0.440 101 L C 0.025 176.910 176.870 0.025 0.000 1.262 101 L CA 0.475 55.327 54.840 0.020 0.000 0.837 101 L CB -2.435 39.633 42.059 0.016 0.000 1.689 101 L HN 0.710 nan 8.230 nan 0.000 0.890 102 S N -2.320 113.396 115.700 0.026 0.000 2.549 102 S HA 0.732 5.212 4.470 0.016 0.000 0.280 102 S C -0.308 174.296 174.600 0.007 0.000 1.109 102 S CA -0.983 57.234 58.200 0.028 0.000 0.905 102 S CB 2.586 65.808 63.200 0.036 0.000 1.081 102 S HN -0.009 nan 8.310 nan 0.000 0.477 103 V N 3.623 123.509 119.914 -0.047 0.000 2.479 103 V HA 0.183 4.313 4.120 0.016 0.000 0.281 103 V C 1.225 177.270 176.094 -0.082 0.000 1.031 103 V CA -0.013 62.206 62.300 -0.134 0.000 1.038 103 V CB -0.027 31.457 31.823 -0.564 0.000 0.981 103 V HN 0.905 nan 8.190 nan 0.000 0.478 104 I N 0.955 121.514 120.570 -0.017 0.000 4.070 104 I HA 0.519 4.698 4.170 0.016 0.000 0.328 104 I C 0.613 176.732 176.117 0.003 0.000 1.298 104 I CA 0.380 61.682 61.300 0.004 0.000 1.173 104 I CB 0.437 38.451 38.000 0.023 0.000 1.051 104 I HN 0.592 nan 8.210 nan 0.000 0.409 105 E N 0.520 120.716 120.200 -0.007 0.000 2.354 105 E HA 0.449 4.809 4.350 0.016 0.000 0.283 105 E C -1.393 175.198 176.600 -0.015 0.000 0.938 105 E CA -0.439 55.962 56.400 0.001 0.000 0.777 105 E CB 2.477 32.187 29.700 0.016 0.000 1.222 105 E HN 0.103 nan 8.360 nan 0.000 0.423 106 T N 2.554 117.112 114.554 0.007 0.000 2.889 106 T HA 0.681 5.041 4.350 0.016 0.000 0.315 106 T C -1.963 172.776 174.700 0.065 0.000 1.291 106 T CA -0.674 61.450 62.100 0.040 0.000 1.028 106 T CB 0.985 69.902 68.868 0.082 0.000 1.235 106 T HN 0.593 nan 8.240 nan 0.000 0.491 107 R N 1.628 122.170 120.500 0.070 0.000 2.634 107 R HA 0.775 5.125 4.340 0.016 0.000 0.263 107 R C -1.615 174.724 176.300 0.065 0.000 1.060 107 R CA -1.152 54.992 56.100 0.073 0.000 0.898 107 R CB 1.026 31.357 30.300 0.051 0.000 1.253 107 R HN 0.693 nan 8.270 nan 0.000 0.461 108 A N 3.396 126.255 122.820 0.065 0.000 2.301 108 A HA 0.647 4.977 4.320 0.016 0.000 0.312 108 A C -0.519 177.073 177.584 0.013 0.000 1.182 108 A CA -0.833 51.226 52.037 0.036 0.000 0.826 108 A CB 0.649 19.679 19.000 0.049 0.000 1.134 108 A HN 0.614 nan 8.150 nan 0.000 0.501 109 L N 2.964 124.175 121.223 -0.019 0.000 2.417 109 L HA 0.322 4.672 4.340 0.016 0.000 0.259 109 L C 0.667 177.514 176.870 -0.038 0.000 1.023 109 L CA -0.071 54.755 54.840 -0.025 0.000 0.901 109 L CB 1.295 43.327 42.059 -0.046 0.000 1.227 109 L HN 0.904 nan 8.230 nan 0.000 0.454 110 E N 0.369 120.563 120.200 -0.011 0.000 2.427 110 E HA -0.064 4.296 4.350 0.016 0.000 0.196 110 E C 0.916 177.517 176.600 0.003 0.000 1.028 110 E CA 1.085 57.481 56.400 -0.008 0.000 0.864 110 E CB 0.374 30.077 29.700 0.006 0.000 0.813 110 E HN 0.671 nan 8.360 nan 0.000 0.514 111 T N -1.837 112.725 114.554 0.012 0.000 3.296 111 T HA 0.293 4.653 4.350 0.016 0.000 0.285 111 T C 0.173 174.904 174.700 0.052 0.000 1.014 111 T CA -0.519 61.605 62.100 0.041 0.000 0.920 111 T CB -0.212 68.689 68.868 0.055 0.000 1.143 111 T HN -0.026 nan 8.240 nan 0.000 0.522 112 V N -2.287 117.635 119.914 0.012 0.000 3.113 112 V HA 0.842 4.972 4.120 0.016 0.000 0.316 112 V C -1.473 174.613 176.094 -0.013 0.000 1.125 112 V CA -1.093 61.217 62.300 0.018 0.000 1.026 112 V CB 2.286 34.097 31.823 -0.019 0.000 1.080 112 V HN 0.146 nan 8.190 nan 0.000 0.444 113 Q N 1.772 121.589 119.800 0.028 0.000 2.375 113 Q HA 0.649 4.998 4.340 0.016 0.000 0.271 113 Q C -2.847 173.173 176.000 0.033 0.000 1.074 113 Q CA -1.708 54.102 55.803 0.011 0.000 0.808 113 Q CB 2.865 31.632 28.738 0.049 0.000 1.327 113 Q HN 0.733 nan 8.270 nan 0.000 0.441 114 P HA 0.345 nan 4.420 nan 0.000 0.286 114 P C -0.008 177.350 177.300 0.097 0.000 1.292 114 P CA -0.810 62.353 63.100 0.106 0.000 0.842 114 P CB 1.344 33.072 31.700 0.048 0.000 1.207 115 I N 0.249 120.902 120.570 0.139 0.000 2.948 115 I HA -0.112 4.067 4.170 0.016 0.000 0.303 115 I C -0.003 176.173 176.117 0.099 0.000 1.224 115 I CA 0.185 61.544 61.300 0.099 0.000 1.442 115 I CB 0.062 38.187 38.000 0.207 0.000 1.328 115 I HN 0.126 nan 8.210 nan 0.000 0.578 116 L N 7.696 128.955 121.223 0.059 0.000 2.278 116 L HA 0.237 4.587 4.340 0.016 0.000 0.287 116 L C 0.641 177.582 176.870 0.118 0.000 1.072 116 L CA -0.464 54.435 54.840 0.099 0.000 0.819 116 L CB 0.825 42.975 42.059 0.151 0.000 1.176 116 L HN 0.671 nan 8.230 nan 0.000 0.435 117 T N -0.516 114.030 114.554 -0.013 0.000 2.816 117 T HA 0.195 4.554 4.350 0.016 0.000 0.282 117 T C 1.392 176.020 174.700 -0.121 0.000 0.993 117 T CA -0.893 61.060 62.100 -0.244 0.000 0.994 117 T CB 1.457 70.084 68.868 -0.401 0.000 1.025 117 T HN 0.200 nan 8.240 nan 0.000 0.529 118 V N 1.150 120.961 119.914 -0.172 0.000 2.392 118 V HA -0.138 3.991 4.120 0.016 0.000 0.249 118 V C 2.786 178.865 176.094 -0.025 0.000 1.059 118 V CA 2.051 64.323 62.300 -0.047 0.000 1.051 118 V CB -1.020 30.793 31.823 -0.016 0.000 0.658 118 V HN 0.939 nan 8.190 nan 0.000 0.455 119 E N -0.423 119.745 120.200 -0.054 0.000 2.152 119 E HA -0.184 4.176 4.350 0.016 0.000 0.192 119 E C 1.909 178.505 176.600 -0.006 0.000 0.983 119 E CA 1.000 57.389 56.400 -0.020 0.000 0.818 119 E CB -0.107 29.579 29.700 -0.023 0.000 0.758 119 E HN 0.590 nan 8.360 nan 0.000 0.467 120 D N 0.392 120.784 120.400 -0.013 0.000 2.178 120 D HA -0.116 4.533 4.640 0.016 0.000 0.201 120 D C 1.866 178.189 176.300 0.037 0.000 0.980 120 D CA 0.882 54.888 54.000 0.011 0.000 0.842 120 D CB 0.158 40.968 40.800 0.016 0.000 0.948 120 D HN 0.208 nan 8.370 nan 0.000 0.472 121 L N -0.495 120.757 121.223 0.047 0.000 2.269 121 L HA 0.021 4.370 4.340 0.016 0.000 0.200 121 L C 2.349 179.258 176.870 0.065 0.000 1.069 121 L CA 0.204 55.087 54.840 0.073 0.000 0.804 121 L CB -0.110 42.002 42.059 0.088 0.000 0.987 121 L HN -0.000 nan 8.230 nan 0.000 0.468 122 C N 0.466 119.797 119.300 0.052 0.000 2.413 122 C HA -0.121 4.348 4.460 0.016 0.000 0.292 122 C C 3.048 178.066 174.990 0.046 0.000 1.435 122 C CA 1.269 60.319 59.018 0.054 0.000 1.791 122 C CB -1.105 26.663 27.740 0.047 0.000 1.784 122 C HN 0.648 nan 8.230 nan 0.000 0.548 123 S N -0.502 115.222 115.700 0.040 0.000 2.436 123 S HA -0.116 4.363 4.470 0.016 0.000 0.228 123 S C 1.502 176.121 174.600 0.033 0.000 1.014 123 S CA 1.632 59.851 58.200 0.030 0.000 0.950 123 S CB -0.705 62.509 63.200 0.024 0.000 0.784 123 S HN 0.612 nan 8.310 nan 0.000 0.504 124 T N 2.132 116.715 114.554 0.047 0.000 2.867 124 T HA -0.022 4.337 4.350 0.016 0.000 0.268 124 T C 1.652 176.379 174.700 0.045 0.000 1.057 124 T CA 1.455 63.585 62.100 0.050 0.000 1.136 124 T CB -0.304 68.609 68.868 0.074 0.000 0.874 124 T HN 0.582 nan 8.240 nan 0.000 0.466 125 E N 0.517 120.745 120.200 0.045 0.000 2.077 125 E HA -0.177 4.183 4.350 0.016 0.000 0.193 125 E C 2.229 178.829 176.600 -0.000 0.000 0.989 125 E CA 0.987 57.402 56.400 0.025 0.000 0.800 125 E CB 0.035 29.745 29.700 0.016 0.000 0.746 125 E HN 0.249 nan 8.360 nan 0.000 0.452 126 E N -0.391 119.810 120.200 0.001 0.000 2.152 126 E HA -0.091 4.269 4.350 0.016 0.000 0.192 126 E C 1.849 178.452 176.600 0.004 0.000 0.983 126 E CA 0.436 56.833 56.400 -0.005 0.000 0.818 126 E CB 0.063 29.761 29.700 -0.003 0.000 0.758 126 E HN 0.081 nan 8.360 nan 0.000 0.467 127 V N 1.275 121.197 119.914 0.012 0.000 2.261 127 V HA -0.279 3.850 4.120 0.016 0.000 0.246 127 V C 2.409 178.515 176.094 0.020 0.000 1.047 127 V CA 2.010 64.319 62.300 0.014 0.000 1.015 127 V CB -0.699 31.133 31.823 0.015 0.000 0.642 127 V HN 0.493 nan 8.190 nan 0.000 0.446 128 I N -1.394 119.194 120.570 0.030 0.000 2.439 128 I HA -0.148 4.032 4.170 0.016 0.000 0.251 128 I C 2.489 178.632 176.117 0.044 0.000 1.139 128 I CA 1.539 62.867 61.300 0.047 0.000 1.438 128 I CB -0.587 37.456 38.000 0.071 0.000 1.085 128 I HN 0.039 nan 8.210 nan 0.000 0.427 129 R N 1.101 121.614 120.500 0.023 0.000 2.148 129 R HA -0.001 4.348 4.340 0.016 0.000 0.227 129 R C 1.263 177.573 176.300 0.018 0.000 1.103 129 R CA 1.226 57.335 56.100 0.015 0.000 0.983 129 R CB -0.369 29.923 30.300 -0.013 0.000 0.874 129 R HN 0.542 nan 8.270 nan 0.000 0.451 130 N N 0.532 119.240 118.700 0.013 0.000 2.205 130 N HA -0.039 4.711 4.740 0.016 0.000 0.201 130 N C -0.692 174.822 175.510 0.007 0.000 1.128 130 N CA 0.122 53.177 53.050 0.009 0.000 0.867 130 N CB 0.528 39.018 38.487 0.005 0.000 0.996 130 N HN 0.144 nan 8.380 nan 0.000 0.503 131 D N 1.146 121.552 120.400 0.010 0.000 2.295 131 D HA 0.164 4.813 4.640 0.016 0.000 0.248 131 D C -1.569 174.727 176.300 -0.007 0.000 1.154 131 D CA -1.933 52.069 54.000 0.003 0.000 0.857 131 D CB 1.871 42.677 40.800 0.009 0.000 1.117 131 D HN -0.085 nan 8.370 nan 0.000 0.468 132 P HA -0.173 nan 4.420 nan 0.000 0.216 132 P C 0.866 178.137 177.300 -0.049 0.000 1.150 132 P CA 1.252 64.335 63.100 -0.027 0.000 0.843 132 P CB 0.129 31.814 31.700 -0.026 0.000 0.787 133 A N -0.745 122.041 122.820 -0.057 0.000 1.930 133 A HA -0.133 4.196 4.320 0.016 0.000 0.217 133 A C 2.338 179.844 177.584 -0.130 0.000 1.175 133 A CA 1.658 53.638 52.037 -0.095 0.000 0.627 133 A CB -1.626 17.318 19.000 -0.094 0.000 0.815 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.229 120.099 119.914 -0.072 0.000 2.358 134 V HA -0.253 3.877 4.120 0.016 0.000 0.246 134 V C 2.408 178.459 176.094 -0.071 0.000 1.047 134 V CA 1.948 64.220 62.300 -0.047 0.000 1.035 134 V CB -0.663 31.211 31.823 0.084 0.000 0.658 134 V HN 0.571 nan 8.190 nan 0.000 0.452 135 I N 0.048 120.595 120.570 -0.038 0.000 2.226 135 I HA -0.277 3.902 4.170 0.016 0.000 0.245 135 I C 2.623 178.696 176.117 -0.073 0.000 1.100 135 I CA 1.980 63.265 61.300 -0.026 0.000 1.374 135 I CB -0.402 37.591 38.000 -0.012 0.000 1.057 135 I HN 0.431 nan 8.210 nan 0.000 0.413 136 E N 0.659 120.795 120.200 -0.106 0.000 2.085 136 E HA -0.280 4.079 4.350 0.016 0.000 0.194 136 E C 2.167 178.647 176.600 -0.200 0.000 0.994 136 E CA 1.257 57.580 56.400 -0.129 0.000 0.801 136 E CB 0.103 29.729 29.700 -0.124 0.000 0.743 136 E HN 0.438 nan 8.360 nan 0.000 0.453 137 Q N -0.018 119.572 119.800 -0.351 0.000 2.119 137 Q HA -0.117 4.232 4.340 0.016 0.000 0.201 137 Q C 2.407 178.161 176.000 -0.410 0.000 0.972 137 Q CA 1.101 56.537 55.803 -0.612 0.000 0.847 137 Q CB -0.614 27.281 28.738 -1.404 0.000 0.903 137 Q HN 0.445 nan 8.270 nan 0.000 0.433 138 C N -0.169 119.025 119.300 -0.177 0.000 2.432 138 C HA -0.076 4.393 4.460 0.016 0.000 0.277 138 C C 2.864 177.848 174.990 -0.009 0.000 1.249 138 C CA 0.486 59.535 59.018 0.053 0.000 1.725 138 C CB -0.999 26.805 27.740 0.107 0.000 2.028 138 C HN 0.252 nan 8.230 nan 0.000 0.477 139 V N 1.067 120.954 119.914 -0.045 0.000 2.332 139 V HA -0.237 3.893 4.120 0.016 0.000 0.248 139 V C 2.322 178.386 176.094 -0.051 0.000 1.055 139 V CA 1.908 64.183 62.300 -0.043 0.000 1.038 139 V CB -0.662 31.135 31.823 -0.044 0.000 0.651 139 V HN 0.560 nan 8.190 nan 0.000 0.450 140 L N -0.133 121.044 121.223 -0.076 0.000 2.191 140 L HA -0.124 4.226 4.340 0.016 0.000 0.212 140 L C 2.226 179.071 176.870 -0.041 0.000 1.103 140 L CA 1.356 56.156 54.840 -0.067 0.000 0.769 140 L CB -0.422 41.578 42.059 -0.098 0.000 0.908 140 L HN 0.280 nan 8.230 nan 0.000 0.438 141 S N -0.626 115.061 115.700 -0.022 0.000 2.593 141 S HA 0.186 4.666 4.470 0.016 0.000 0.217 141 S C 1.358 175.943 174.600 -0.026 0.000 0.966 141 S CA 0.662 58.870 58.200 0.014 0.000 0.914 141 S CB 0.474 63.745 63.200 0.118 0.000 0.776 141 S HN 0.643 nan 8.310 nan 0.000 0.523 142 G N 1.384 110.159 108.800 -0.042 0.000 2.144 142 G HA2 -0.206 3.763 3.960 0.016 0.000 0.218 142 G HA3 -0.206 3.763 3.960 0.016 0.000 0.218 142 G C -0.085 174.759 174.900 -0.094 0.000 0.988 142 G CA -0.412 44.649 45.100 -0.064 0.000 0.659 142 G HN 0.489 nan 8.290 nan 0.000 0.522 143 I N 1.923 122.445 120.570 -0.081 0.000 2.354 143 I HA 0.336 4.516 4.170 0.016 0.000 0.286 143 I C -2.138 173.969 176.117 -0.017 0.000 1.007 143 I CA -2.496 58.757 61.300 -0.079 0.000 1.167 143 I CB 1.991 39.944 38.000 -0.078 0.000 1.320 143 I HN -0.160 nan 8.210 nan 0.000 0.458 144 P HA 0.047 nan 4.420 nan 0.000 0.269 144 P C 0.574 177.889 177.300 0.026 0.000 1.215 144 P CA -0.115 62.992 63.100 0.011 0.000 0.780 144 P CB 0.885 32.597 31.700 0.020 0.000 0.898 145 A N 2.934 125.766 122.820 0.020 0.000 1.978 145 A HA -0.231 4.099 4.320 0.016 0.000 0.220 145 A C 1.538 179.152 177.584 0.050 0.000 1.170 145 A CA 2.067 54.120 52.037 0.027 0.000 0.636 145 A CB -1.403 17.605 19.000 0.013 0.000 0.810 145 A HN 0.727 nan 8.150 nan 0.000 0.448 146 N N -0.203 118.531 118.700 0.058 0.000 2.521 146 N HA -0.035 4.715 4.740 0.016 0.000 0.188 146 N C 0.480 176.083 175.510 0.156 0.000 1.146 146 N CA 0.882 53.985 53.050 0.090 0.000 0.893 146 N CB -0.284 38.245 38.487 0.070 0.000 0.975 146 N HN 0.635 nan 8.380 nan 0.000 0.451 147 E N -0.462 119.804 120.200 0.110 0.000 2.569 147 E HA 0.203 4.562 4.350 0.016 0.000 0.205 147 E C 0.727 177.311 176.600 -0.027 0.000 1.006 147 E CA -0.311 56.114 56.400 0.042 0.000 0.985 147 E CB 0.198 29.932 29.700 0.056 0.000 1.060 147 E HN 0.168 nan 8.360 nan 0.000 0.460 148 M N 0.904 120.541 119.600 0.063 0.000 2.358 148 M HA -0.130 4.360 4.480 0.016 0.000 0.264 148 M C 2.011 178.304 176.300 -0.012 0.000 1.064 148 M CA 1.399 56.723 55.300 0.040 0.000 1.093 148 M CB -1.012 31.620 32.600 0.054 0.000 1.401 148 M HN 0.361 nan 8.290 nan 0.000 0.440 149 H N -0.896 118.160 119.070 -0.024 0.000 2.545 149 H HA 0.014 4.580 4.556 0.016 0.000 0.282 149 H C 0.981 176.239 175.328 -0.116 0.000 1.020 149 H CA 0.759 56.753 56.048 -0.089 0.000 1.243 149 H CB -0.443 29.286 29.762 -0.054 0.000 1.377 149 H HN 0.363 nan 8.280 nan 0.000 0.581 150 K N 0.988 121.122 120.400 -0.444 0.000 2.404 150 K HA 0.203 4.532 4.320 0.016 0.000 0.194 150 K C 0.013 176.635 176.600 0.035 0.000 1.023 150 K CA -0.064 56.083 56.287 -0.234 0.000 1.094 150 K CB 1.131 33.461 32.500 -0.283 0.000 0.841 150 K HN 0.018 nan 8.250 nan 0.000 0.523 151 V N 1.837 121.743 119.914 -0.013 0.000 2.439 151 V HA 0.234 4.364 4.120 0.016 0.000 0.282 151 V C -0.620 175.426 176.094 -0.080 0.000 1.039 151 V CA -0.542 61.823 62.300 0.107 0.000 0.913 151 V CB 0.335 32.222 31.823 0.107 0.000 0.983 151 V HN 0.054 nan 8.190 nan 0.000 0.460 152 Y N 2.834 123.175 120.300 0.068 0.000 2.602 152 Y HA 0.739 5.299 4.550 0.016 0.000 0.342 152 Y C 0.256 176.219 175.900 0.106 0.000 1.029 152 Y CA -0.724 57.413 58.100 0.062 0.000 1.080 152 Y CB 2.185 40.656 38.460 0.018 0.000 1.284 152 Y HN 0.842 nan 8.280 nan 0.000 0.485 153 C N -1.101 118.360 119.300 0.268 0.000 2.985 153 C HA 0.615 5.085 4.460 0.016 0.000 0.314 153 C C -1.602 173.553 174.990 0.274 0.000 1.215 153 C CA -1.023 58.145 59.018 0.250 0.000 1.414 153 C CB 1.471 29.294 27.740 0.139 0.000 1.842 153 C HN 0.730 nan 8.230 nan 0.000 0.477 154 D N 4.183 124.792 120.400 0.349 0.000 2.313 154 D HA 0.393 5.043 4.640 0.016 0.000 0.239 154 D C -2.200 174.354 176.300 0.423 0.000 1.142 154 D CA -1.386 52.849 54.000 0.392 0.000 0.847 154 D CB 1.582 42.719 40.800 0.561 0.000 1.082 154 D HN 0.517 nan 8.370 nan 0.000 0.480 155 P HA 0.122 nan 4.420 nan 0.000 0.219 155 P C -0.449 177.083 177.300 0.386 0.000 1.832 155 P CA -0.608 62.664 63.100 0.287 0.000 1.014 155 P CB -0.380 31.431 31.700 0.185 0.000 1.939 156 W N 0.770 122.143 121.300 0.122 0.000 2.112 156 W HA 0.183 4.853 4.660 0.016 0.000 0.349 156 W C 1.554 178.195 176.519 0.205 0.000 1.289 156 W CA 0.184 57.654 57.345 0.207 0.000 1.256 156 W CB -0.229 29.318 29.460 0.146 0.000 1.148 156 W HN 0.051 nan 8.180 nan 0.000 0.590 157 T N 2.387 117.226 114.554 0.474 0.000 2.906 157 T HA -0.070 4.289 4.350 0.016 0.000 0.320 157 T C 1.268 176.102 174.700 0.223 0.000 1.088 157 T CA -0.195 62.043 62.100 0.228 0.000 1.120 157 T CB 0.296 69.194 68.868 0.050 0.000 1.000 157 T HN 0.445 nan 8.240 nan 0.000 0.550 158 I N 2.711 123.355 120.570 0.122 0.000 2.700 158 I HA 0.029 4.208 4.170 0.016 0.000 0.261 158 I C 1.731 177.887 176.117 0.064 0.000 1.219 158 I CA 1.621 62.967 61.300 0.078 0.000 1.463 158 I CB -0.753 37.272 38.000 0.041 0.000 1.092 158 I HN 1.106 nan 8.210 nan 0.000 0.452 159 G N 0.238 109.080 108.800 0.070 0.000 4.886 159 G HA2 -0.381 3.588 3.960 0.016 0.000 0.305 159 G HA3 -0.381 3.588 3.960 0.016 0.000 0.305 159 G C -0.047 174.961 174.900 0.180 0.000 1.483 159 G CA 0.456 45.558 45.100 0.004 0.000 1.029 159 G HN 0.416 nan 8.290 nan 0.000 0.746 160 Y N 2.061 122.397 120.300 0.059 0.000 2.399 160 Y HA 0.598 5.158 4.550 0.016 0.000 0.327 160 Y C -2.089 173.870 175.900 0.098 0.000 1.111 160 Y CA -0.697 57.461 58.100 0.096 0.000 1.047 160 Y CB 2.125 40.639 38.460 0.091 0.000 1.259 160 Y HN 0.465 nan 8.280 nan 0.000 0.434 161 D N 5.513 125.534 120.400 -0.630 0.000 2.620 161 D HA 0.130 4.779 4.640 0.016 0.000 0.252 161 D C 0.563 176.413 176.300 -0.749 0.000 1.207 161 D CA -0.246 53.477 54.000 -0.460 0.000 0.884 161 D CB 1.507 42.321 40.800 0.023 0.000 1.262 161 D HN 0.851 nan 8.370 nan 0.000 0.552 162 E N 3.710 123.516 120.200 -0.657 0.000 2.401 162 E HA -0.171 4.189 4.350 0.016 0.000 0.199 162 E C 0.862 177.249 176.600 -0.355 0.000 1.023 162 E CA 0.542 56.699 56.400 -0.404 0.000 0.859 162 E CB 0.011 29.650 29.700 -0.102 0.000 0.780 162 E HN 0.464 nan 8.360 nan 0.000 0.523 163 R N -0.614 119.575 120.500 -0.519 0.000 2.189 163 R HA 0.014 4.364 4.340 0.016 0.000 0.218 163 R C 1.293 177.044 176.300 -0.916 0.000 1.074 163 R CA 1.343 56.916 56.100 -0.879 0.000 0.991 163 R CB 0.032 29.423 30.300 -1.516 0.000 0.883 163 R HN 0.349 nan 8.270 nan 0.000 0.457 164 W N -0.784 120.411 121.300 -0.175 0.000 2.413 164 W HA 0.316 4.986 4.660 0.016 0.000 0.288 164 W C 0.990 177.467 176.519 -0.069 0.000 0.958 164 W CA 0.405 57.684 57.345 -0.110 0.000 1.333 164 W CB -0.031 29.371 29.460 -0.097 0.000 1.002 164 W HN 0.215 nan 8.180 nan 0.000 0.562 165 G N 2.173 111.012 108.800 0.066 0.000 2.596 165 G HA2 -0.422 3.548 3.960 0.016 0.000 0.295 165 G HA3 -0.422 3.548 3.960 0.016 0.000 0.295 165 G C 0.766 175.792 174.900 0.211 0.000 1.240 165 G CA 2.092 47.297 45.100 0.175 0.000 0.985 165 G HN 0.134 nan 8.290 nan 0.000 0.555 166 T N -1.515 113.161 114.554 0.205 0.000 3.145 166 T HA 0.486 4.846 4.350 0.016 0.000 0.255 166 T C 2.042 176.809 174.700 0.113 0.000 1.039 166 T CA 1.072 63.268 62.100 0.159 0.000 0.928 166 T CB 0.630 69.590 68.868 0.154 0.000 1.029 166 T HN 1.544 nan 8.240 nan 0.000 0.554 167 G N 1.590 110.465 108.800 0.125 0.000 2.471 167 G HA2 0.072 4.042 3.960 0.016 0.000 0.219 167 G HA3 0.072 4.042 3.960 0.016 0.000 0.219 167 G C 0.433 175.376 174.900 0.072 0.000 1.125 167 G CA 0.087 45.247 45.100 0.101 0.000 0.775 167 G HN 0.498 nan 8.290 nan 0.000 0.548 168 K N -0.786 119.651 120.400 0.061 0.000 2.435 168 K HA 0.446 4.776 4.320 0.016 0.000 0.251 168 K C -0.848 175.746 176.600 -0.011 0.000 0.954 168 K CA -0.947 55.339 56.287 -0.003 0.000 0.820 168 K CB 2.343 34.798 32.500 -0.074 0.000 1.292 168 K HN -0.047 nan 8.250 nan 0.000 0.436 169 R N 2.767 123.251 120.500 -0.026 0.000 2.216 169 R HA 0.324 4.674 4.340 0.016 0.000 0.332 169 R C -1.068 175.207 176.300 -0.043 0.000 1.056 169 R CA -0.149 55.940 56.100 -0.018 0.000 0.901 169 R CB 0.161 30.451 30.300 -0.016 0.000 1.039 169 R HN 0.487 nan 8.270 nan 0.000 0.456 170 L N 3.849 125.051 121.223 -0.034 0.000 2.381 170 L HA 0.451 4.800 4.340 0.016 0.000 0.268 170 L C -0.422 176.444 176.870 -0.006 0.000 0.997 170 L CA -0.925 53.874 54.840 -0.070 0.000 0.818 170 L CB 2.422 44.396 42.059 -0.143 0.000 1.310 170 L HN 0.598 nan 8.230 nan 0.000 0.416 171 Q N 1.677 121.477 119.800 0.000 0.000 2.351 171 Q HA 0.450 4.800 4.340 0.016 0.000 0.273 171 Q C -1.292 174.735 176.000 0.045 0.000 1.077 171 Q CA -0.850 54.994 55.803 0.068 0.000 0.843 171 Q CB 2.911 31.708 28.738 0.098 0.000 1.367 171 Q HN 0.524 nan 8.270 nan 0.000 0.449 172 Q N -0.075 119.778 119.800 0.088 0.000 2.316 172 Q HA 0.751 5.100 4.340 0.016 0.000 0.264 172 Q C -1.398 174.631 176.000 0.048 0.000 0.987 172 Q CA -0.959 54.865 55.803 0.035 0.000 0.852 172 Q CB 1.720 30.447 28.738 -0.018 0.000 1.287 172 Q HN 0.547 nan 8.270 nan 0.000 0.448 173 A N 5.179 128.013 122.820 0.022 0.000 2.294 173 A HA 0.420 4.749 4.320 0.016 0.000 0.316 173 A C -0.299 177.252 177.584 -0.055 0.000 1.359 173 A CA -0.771 51.286 52.037 0.034 0.000 0.956 173 A CB 0.201 19.231 19.000 0.050 0.000 1.155 173 A HN 0.836 nan 8.150 nan 0.000 0.544 174 L N 4.201 125.386 121.223 -0.064 0.000 2.325 174 L HA 0.312 4.661 4.340 0.016 0.000 0.284 174 L C 0.056 176.841 176.870 -0.142 0.000 1.089 174 L CA -0.558 54.181 54.840 -0.169 0.000 0.836 174 L CB 0.680 42.626 42.059 -0.188 0.000 1.184 174 L HN 0.578 nan 8.230 nan 0.000 0.444 175 V N 1.233 120.915 119.914 -0.387 0.000 2.539 175 V HA 0.550 4.679 4.120 0.016 0.000 0.292 175 V C -0.679 175.087 176.094 -0.547 0.000 1.045 175 V CA -0.662 61.440 62.300 -0.331 0.000 0.945 175 V CB 1.124 32.681 31.823 -0.443 0.000 0.993 175 V HN 0.490 nan 8.190 nan 0.000 0.464 176 Y N 2.202 122.501 120.300 -0.001 0.000 2.638 176 Y HA 0.696 5.255 4.550 0.016 0.000 0.339 176 Y C -0.913 175.107 175.900 0.200 0.000 1.084 176 Y CA -0.913 57.217 58.100 0.051 0.000 1.068 176 Y CB 2.233 40.648 38.460 -0.075 0.000 1.294 176 Y HN 0.778 nan 8.280 nan 0.000 0.480 177 Y N 1.146 121.615 120.300 0.282 0.000 2.425 177 Y HA 0.688 5.248 4.550 0.016 0.000 0.344 177 Y C -1.204 174.837 175.900 0.234 0.000 0.969 177 Y CA -1.384 56.859 58.100 0.239 0.000 1.052 177 Y CB 1.399 39.980 38.460 0.201 0.000 1.215 177 Y HN 0.545 nan 8.280 nan 0.000 0.451 178 R N 3.640 123.819 120.500 -0.535 0.000 2.437 178 R HA 0.351 4.700 4.340 0.016 0.000 0.310 178 R C 0.419 176.067 176.300 -1.088 0.000 0.955 178 R CA -0.540 55.091 56.100 -0.783 0.000 0.851 178 R CB 1.907 31.846 30.300 -0.602 0.000 1.161 178 R HN 0.819 nan 8.270 nan 0.000 0.446 179 S N 0.934 115.998 115.700 -1.060 0.000 2.406 179 S HA -0.110 4.369 4.470 0.016 0.000 0.228 179 S C 0.280 174.661 174.600 -0.365 0.000 1.020 179 S CA 1.083 58.945 58.200 -0.563 0.000 0.965 179 S CB -0.053 62.993 63.200 -0.257 0.000 0.798 179 S HN 0.650 nan 8.310 nan 0.000 0.488 180 D N -0.698 119.454 120.400 -0.414 0.000 2.857 180 D HA 0.202 4.851 4.640 0.016 0.000 0.227 180 D C 0.641 176.780 176.300 -0.269 0.000 1.192 180 D CA -0.549 53.304 54.000 -0.245 0.000 0.857 180 D CB 1.158 41.846 40.800 -0.187 0.000 1.645 180 D HN 0.068 nan 8.370 nan 0.000 0.482 181 E N 1.344 121.454 120.200 -0.150 0.000 2.209 181 E HA -0.220 4.139 4.350 0.016 0.000 0.196 181 E C 0.182 176.648 176.600 -0.224 0.000 0.993 181 E CA 1.028 57.349 56.400 -0.132 0.000 0.819 181 E CB -0.006 29.681 29.700 -0.022 0.000 0.745 181 E HN 0.375 nan 8.360 nan 0.000 0.477 182 D N 1.210 121.480 120.400 -0.218 0.000 2.340 182 D HA 0.026 4.676 4.640 0.016 0.000 0.220 182 D C -0.258 175.877 176.300 -0.275 0.000 1.039 182 D CA 0.271 54.125 54.000 -0.244 0.000 0.866 182 D CB -0.144 40.531 40.800 -0.209 0.000 0.913 182 D HN 0.143 nan 8.370 nan 0.000 0.523 183 D N 0.175 120.350 120.400 -0.374 0.000 2.382 183 D HA -0.015 4.635 4.640 0.016 0.000 0.240 183 D C 0.201 176.248 176.300 -0.423 0.000 1.146 183 D CA 0.294 53.996 54.000 -0.497 0.000 0.897 183 D CB 0.815 41.160 40.800 -0.758 0.000 1.197 183 D HN -0.199 nan 8.370 nan 0.000 0.432 184 S N 0.521 115.996 115.700 -0.373 0.000 2.439 184 S HA 0.020 4.499 4.470 0.016 0.000 0.282 184 S C 1.213 175.774 174.600 -0.064 0.000 1.170 184 S CA -0.631 57.461 58.200 -0.179 0.000 1.054 184 S CB 0.432 63.587 63.200 -0.075 0.000 0.956 184 S HN 0.377 nan 8.310 nan 0.000 0.490 185 Q N 4.226 123.877 119.800 -0.248 0.000 2.436 185 Q HA -0.119 4.230 4.340 0.016 0.000 0.209 185 Q C 0.250 176.169 176.000 -0.134 0.000 0.965 185 Q CA 1.349 57.009 55.803 -0.238 0.000 0.910 185 Q CB -0.407 28.026 28.738 -0.509 0.000 0.980 185 Q HN 0.901 nan 8.270 nan 0.000 0.491 186 Y N 1.808 122.121 120.300 0.021 0.000 2.616 186 Y HA -0.028 4.531 4.550 0.016 0.000 0.296 186 Y C 2.467 178.599 175.900 0.386 0.000 1.154 186 Y CA 1.004 59.160 58.100 0.094 0.000 1.325 186 Y CB 0.235 38.733 38.460 0.064 0.000 1.007 186 Y HN 0.340 nan 8.280 nan 0.000 0.542 187 S N -1.685 114.302 115.700 0.478 0.000 2.562 187 S HA -0.053 4.426 4.470 0.016 0.000 0.221 187 S C 0.172 174.837 174.600 0.109 0.000 0.975 187 S CA 0.435 58.859 58.200 0.373 0.000 0.918 187 S CB -0.412 62.915 63.200 0.211 0.000 0.772 187 S HN 0.444 nan 8.310 nan 0.000 0.531 188 H N 2.022 121.199 119.070 0.177 0.000 2.439 188 H HA 0.437 5.003 4.556 0.016 0.000 0.230 188 H C -2.839 172.615 175.328 0.210 0.000 1.420 188 H CA -1.881 54.261 56.048 0.156 0.000 1.305 188 H CB 0.582 30.436 29.762 0.154 0.000 1.667 188 H HN 0.339 nan 8.280 nan 0.000 0.515 189 P HA 0.027 nan 4.420 nan 0.000 0.272 189 P C 0.031 177.174 177.300 -0.262 0.000 1.223 189 P CA -0.044 62.906 63.100 -0.250 0.000 0.784 189 P CB 1.749 33.272 31.700 -0.295 0.000 0.923 190 L N 1.666 122.663 121.223 -0.377 0.000 2.416 190 L HA 0.272 4.621 4.340 0.016 0.000 0.263 190 L C 1.710 178.374 176.870 -0.343 0.000 1.065 190 L CA -0.498 54.153 54.840 -0.315 0.000 0.798 190 L CB 0.620 42.460 42.059 -0.366 0.000 1.267 190 L HN 0.366 nan 8.230 nan 0.000 0.467 191 D N -0.676 119.643 120.400 -0.136 0.000 2.348 191 D HA -0.014 4.635 4.640 0.016 0.000 0.211 191 D C 0.058 176.512 176.300 0.257 0.000 0.998 191 D CA 0.227 54.246 54.000 0.031 0.000 0.873 191 D CB -0.012 40.837 40.800 0.083 0.000 0.925 191 D HN 0.243 nan 8.370 nan 0.000 0.524 192 F N -0.915 119.089 119.950 0.089 0.000 2.594 192 F HA 0.642 5.179 4.527 0.016 0.000 0.335 192 F C -0.722 175.104 175.800 0.043 0.000 1.058 192 F CA -2.113 55.929 58.000 0.071 0.000 0.981 192 F CB 1.367 40.383 39.000 0.026 0.000 1.289 192 F HN -0.137 nan 8.300 nan 0.000 0.490 193 C N 3.483 122.898 119.300 0.191 0.000 2.654 193 C HA 0.594 5.064 4.460 0.016 0.000 0.315 193 C C -2.864 172.219 174.990 0.155 0.000 1.054 193 C CA -1.996 57.052 59.018 0.051 0.000 1.419 193 C CB 0.046 27.772 27.740 -0.024 0.000 1.889 193 C HN 0.651 nan 8.230 nan 0.000 0.447 194 P HA 0.282 nan 4.420 nan 0.000 0.271 194 P C -0.599 176.753 177.300 0.087 0.000 1.216 194 P CA 0.041 63.231 63.100 0.151 0.000 0.776 194 P CB 0.406 32.195 31.700 0.148 0.000 0.881 195 I N 3.450 124.067 120.570 0.079 0.000 2.354 195 I HA 0.273 4.452 4.170 0.016 0.000 0.292 195 I C -0.094 175.978 176.117 -0.075 0.000 0.989 195 I CA -0.648 60.638 61.300 -0.025 0.000 1.188 195 I CB 1.267 39.195 38.000 -0.120 0.000 1.342 195 I HN 0.034 nan 8.210 nan 0.000 0.457 196 V N 5.063 124.930 119.914 -0.079 0.000 2.448 196 V HA 0.253 4.383 4.120 0.016 0.000 0.295 196 V C 0.021 176.056 176.094 -0.098 0.000 1.025 196 V CA -0.802 61.460 62.300 -0.063 0.000 0.859 196 V CB 2.199 34.017 31.823 -0.008 0.000 0.988 196 V HN 0.627 nan 8.190 nan 0.000 0.431 197 D N 3.300 123.636 120.400 -0.107 0.000 2.338 197 D HA 0.091 4.741 4.640 0.016 0.000 0.255 197 D C 1.226 177.495 176.300 -0.051 0.000 1.237 197 D CA 0.246 54.186 54.000 -0.100 0.000 0.883 197 D CB 1.755 42.495 40.800 -0.099 0.000 1.087 197 D HN 0.613 nan 8.370 nan 0.000 0.485 198 T N 3.463 117.995 114.554 -0.038 0.000 2.746 198 T HA -0.138 4.221 4.350 0.016 0.000 0.267 198 T C 1.378 176.069 174.700 -0.015 0.000 1.039 198 T CA 0.997 63.089 62.100 -0.013 0.000 1.142 198 T CB 0.217 69.084 68.868 -0.001 0.000 0.866 198 T HN 0.449 nan 8.240 nan 0.000 0.444 199 E N 0.705 120.890 120.200 -0.024 0.000 2.190 199 E HA 0.034 4.394 4.350 0.016 0.000 0.191 199 E C 2.166 178.753 176.600 -0.022 0.000 0.978 199 E CA 0.517 56.903 56.400 -0.024 0.000 0.839 199 E CB -0.059 29.623 29.700 -0.030 0.000 0.787 199 E HN 0.433 nan 8.360 nan 0.000 0.473 200 E N 0.837 121.022 120.200 -0.025 0.000 2.442 200 E HA -0.001 4.359 4.350 0.016 0.000 0.195 200 E C -0.134 176.456 176.600 -0.017 0.000 1.030 200 E CA 0.068 56.455 56.400 -0.021 0.000 0.869 200 E CB 0.103 29.788 29.700 -0.025 0.000 0.857 200 E HN 0.167 nan 8.360 nan 0.000 0.505 201 K N 1.115 121.505 120.400 -0.016 0.000 3.257 201 K HA -0.226 4.103 4.320 0.016 0.000 0.270 201 K C -0.326 176.268 176.600 -0.009 0.000 0.984 201 K CA 0.801 57.082 56.287 -0.009 0.000 0.739 201 K CB -1.529 30.969 32.500 -0.004 0.000 1.351 201 K HN 0.238 nan 8.250 nan 0.000 0.463 202 K N -2.230 118.160 120.400 -0.017 0.000 2.532 202 K HA 0.529 4.858 4.320 0.016 0.000 0.265 202 K C -0.515 176.071 176.600 -0.022 0.000 0.948 202 K CA -1.241 55.037 56.287 -0.015 0.000 0.842 202 K CB 1.795 34.287 32.500 -0.013 0.000 1.392 202 K HN -0.096 nan 8.250 nan 0.000 0.436 203 V N 3.599 123.507 119.914 -0.010 0.000 2.508 203 V HA 0.089 4.218 4.120 0.016 0.000 0.281 203 V C 1.168 177.258 176.094 -0.007 0.000 1.041 203 V CA -0.167 62.128 62.300 -0.007 0.000 1.016 203 V CB 0.362 32.191 31.823 0.011 0.000 0.984 203 V HN 0.872 nan 8.190 nan 0.000 0.478 204 I N 1.447 122.004 120.570 -0.021 0.000 4.035 204 I HA 0.536 4.716 4.170 0.016 0.000 0.321 204 I C 0.133 176.366 176.117 0.194 0.000 1.289 204 I CA 0.513 61.823 61.300 0.016 0.000 1.236 204 I CB 0.466 38.395 38.000 -0.119 0.000 1.076 204 I HN 0.452 nan 8.210 nan 0.000 0.418 205 F N 0.982 120.920 119.950 -0.020 0.000 2.744 205 F HA 0.630 5.167 4.527 0.016 0.000 0.311 205 F C -1.899 173.949 175.800 0.080 0.000 1.144 205 F CA -1.024 57.027 58.000 0.086 0.000 0.938 205 F CB 1.810 40.959 39.000 0.248 0.000 1.292 205 F HN -0.243 nan 8.300 nan 0.000 0.444 206 I N 3.579 123.981 120.570 -0.279 0.000 2.468 206 I HA 0.272 4.451 4.170 0.016 0.000 0.285 206 I C -1.326 174.794 176.117 0.006 0.000 1.039 206 I CA -0.829 60.452 61.300 -0.033 0.000 1.074 206 I CB 1.730 39.687 38.000 -0.072 0.000 1.228 206 I HN 0.343 nan 8.210 nan 0.000 0.436 207 D N 7.626 128.211 120.400 0.309 0.000 2.339 207 D HA 0.384 5.033 4.640 0.016 0.000 0.256 207 D C -0.252 176.192 176.300 0.240 0.000 1.214 207 D CA 0.467 54.684 54.000 0.361 0.000 0.877 207 D CB 1.459 42.490 40.800 0.386 0.000 1.111 207 D HN 0.305 nan 8.370 nan 0.000 0.478 208 I N 4.643 125.318 120.570 0.175 0.000 2.406 208 I HA 0.223 4.403 4.170 0.016 0.000 0.290 208 I C -1.958 174.241 176.117 0.136 0.000 0.999 208 I CA -1.893 59.489 61.300 0.137 0.000 1.124 208 I CB 2.088 40.103 38.000 0.024 0.000 1.289 208 I HN 0.099 nan 8.210 nan 0.000 0.441 209 P HA 0.249 nan 4.420 nan 0.000 0.274 209 P C -0.153 177.204 177.300 0.095 0.000 1.237 209 P CA -0.392 62.794 63.100 0.143 0.000 0.793 209 P CB 0.921 32.737 31.700 0.194 0.000 0.977 210 N N 0.342 119.088 118.700 0.077 0.000 2.188 210 N HA -0.099 4.651 4.740 0.016 0.000 0.184 210 N C 0.903 176.445 175.510 0.054 0.000 1.018 210 N CA 0.968 54.047 53.050 0.049 0.000 0.858 210 N CB -0.077 38.431 38.487 0.036 0.000 0.989 210 N HN 0.449 nan 8.380 nan 0.000 0.426 211 R N 1.851 122.397 120.500 0.076 0.000 2.215 211 R HA 0.145 4.494 4.340 0.016 0.000 0.336 211 R C -0.631 175.716 176.300 0.079 0.000 0.996 211 R CA -0.586 55.557 56.100 0.071 0.000 0.847 211 R CB 0.493 30.842 30.300 0.081 0.000 1.127 211 R HN -0.132 nan 8.270 nan 0.000 0.465 212 R N 3.338 123.872 120.500 0.056 0.000 2.490 212 R HA 0.203 4.553 4.340 0.016 0.000 0.280 212 R C -0.394 175.928 176.300 0.037 0.000 1.077 212 R CA -0.387 55.745 56.100 0.053 0.000 1.065 212 R CB 0.635 30.954 30.300 0.031 0.000 1.003 212 R HN 0.522 nan 8.270 nan 0.000 0.470 213 R N 1.549 122.068 120.500 0.030 0.000 2.473 213 R HA 0.288 4.638 4.340 0.016 0.000 0.303 213 R C -0.324 175.967 176.300 -0.014 0.000 1.002 213 R CA -0.458 55.638 56.100 -0.007 0.000 0.884 213 R CB 1.768 32.040 30.300 -0.046 0.000 1.173 213 R HN 0.369 nan 8.270 nan 0.000 0.464 214 K N 0.882 121.272 120.400 -0.017 0.000 2.180 214 K HA 0.191 4.520 4.320 0.016 0.000 0.251 214 K C 0.077 176.652 176.600 -0.042 0.000 1.014 214 K CA -0.572 55.703 56.287 -0.021 0.000 0.913 214 K CB 1.067 33.551 32.500 -0.027 0.000 1.008 214 K HN 0.207 nan 8.250 nan 0.000 0.490 215 V N 2.014 121.897 119.914 -0.051 0.000 2.694 215 V HA -0.091 4.039 4.120 0.016 0.000 0.306 215 V C 0.335 176.412 176.094 -0.028 0.000 1.054 215 V CA 0.480 62.746 62.300 -0.057 0.000 1.161 215 V CB 1.179 32.912 31.823 -0.150 0.000 0.916 215 V HN 0.852 nan 8.190 nan 0.000 0.490 216 S N 5.229 120.919 115.700 -0.016 0.000 2.558 216 S HA 0.099 4.578 4.470 0.016 0.000 0.288 216 S C 0.868 175.531 174.600 0.105 0.000 1.318 216 S CA 0.162 58.353 58.200 -0.015 0.000 1.056 216 S CB 0.362 63.421 63.200 -0.234 0.000 0.853 216 S HN 0.851 nan 8.310 nan 0.000 0.505 217 K N 2.602 123.002 120.400 -0.000 0.000 2.374 217 K HA 0.111 4.440 4.320 0.016 0.000 0.196 217 K C 0.269 176.865 176.600 -0.007 0.000 1.023 217 K CA -0.117 56.163 56.287 -0.011 0.000 1.103 217 K CB 0.048 32.486 32.500 -0.103 0.000 0.848 217 K HN 0.680 nan 8.250 nan 0.000 0.528 218 H N 1.754 120.927 119.070 0.171 0.000 2.603 218 H HA 0.115 4.680 4.556 0.016 0.000 0.370 218 H C 0.203 175.736 175.328 0.342 0.000 1.225 218 H CA 0.215 56.376 56.048 0.188 0.000 1.410 218 H CB 0.677 30.488 29.762 0.083 0.000 1.495 218 H HN -0.110 nan 8.280 nan 0.000 0.602 219 K N 1.119 121.771 120.400 0.420 0.000 2.380 219 K HA -0.007 4.322 4.320 0.016 0.000 0.267 219 K C -0.099 176.773 176.600 0.454 0.000 0.990 219 K CA 0.065 56.572 56.287 0.367 0.000 0.946 219 K CB 0.199 32.874 32.500 0.291 0.000 0.937 219 K HN 0.462 nan 8.250 nan 0.000 0.491 220 H N 0.044 119.235 119.070 0.202 0.000 2.771 220 H HA 0.119 4.684 4.556 0.016 0.000 0.364 220 H C -0.175 175.142 175.328 -0.018 0.000 1.133 220 H CA 0.352 56.471 56.048 0.118 0.000 1.423 220 H CB 0.724 30.406 29.762 -0.134 0.000 1.425 220 H HN 0.651 nan 8.280 nan 0.000 0.606 221 A N 3.977 126.712 122.820 -0.140 0.000 2.506 221 A HA 0.235 4.565 4.320 0.016 0.000 0.320 221 A C -0.119 177.307 177.584 -0.264 0.000 1.424 221 A CA -0.676 51.145 52.037 -0.360 0.000 1.044 221 A CB -0.467 18.045 19.000 -0.812 0.000 1.140 221 A HN 0.651 nan 8.150 nan 0.000 0.538 222 N N 0.782 119.342 118.700 -0.232 0.000 2.483 222 N HA 0.679 5.429 4.740 0.016 0.000 0.285 222 N C -0.069 175.354 175.510 -0.145 0.000 1.210 222 N CA -0.428 52.370 53.050 -0.420 0.000 0.931 222 N CB 1.249 39.167 38.487 -0.948 0.000 1.220 222 N HN 0.602 nan 8.380 nan 0.000 0.542 223 F N -2.572 117.360 119.950 -0.030 0.000 2.974 223 F HA 0.434 4.971 4.527 0.016 0.000 0.357 223 F C -0.344 175.494 175.800 0.063 0.000 1.114 223 F CA -0.736 57.262 58.000 -0.005 0.000 1.099 223 F CB -0.216 38.702 39.000 -0.137 0.000 1.205 223 F HN 0.202 nan 8.300 nan 0.000 0.535 224 Y N 2.760 123.182 120.300 0.204 0.000 2.314 224 Y HA 0.287 4.846 4.550 0.016 0.000 0.334 224 Y C -1.100 174.838 175.900 0.063 0.000 1.266 224 Y CA -1.438 56.749 58.100 0.145 0.000 1.391 224 Y CB 0.254 38.712 38.460 -0.003 0.000 1.306 224 Y HN -0.233 nan 8.280 nan 0.000 0.558 225 P HA -0.285 nan 4.420 nan 0.000 0.216 225 P C 1.068 178.380 177.300 0.021 0.000 1.154 225 P CA 2.639 65.784 63.100 0.074 0.000 0.865 225 P CB 0.090 31.825 31.700 0.058 0.000 0.789 226 K N -0.931 119.426 120.400 -0.071 0.000 2.097 226 K HA -0.212 4.117 4.320 0.016 0.000 0.206 226 K C 1.751 178.280 176.600 -0.118 0.000 1.049 226 K CA 1.739 57.937 56.287 -0.147 0.000 0.933 226 K CB -1.211 31.133 32.500 -0.260 0.000 0.717 226 K HN 0.260 nan 8.250 nan 0.000 0.442 227 H N 0.016 119.106 119.070 0.032 0.000 2.357 227 H HA 0.062 4.628 4.556 0.016 0.000 0.301 227 H C 2.139 177.489 175.328 0.037 0.000 1.082 227 H CA 1.451 57.511 56.048 0.020 0.000 1.342 227 H CB 0.065 29.827 29.762 0.001 0.000 1.389 227 H HN 0.089 nan 8.280 nan 0.000 0.511 228 M N 0.138 119.836 119.600 0.164 0.000 2.175 228 M HA -0.091 4.399 4.480 0.016 0.000 0.264 228 M C 2.261 178.608 176.300 0.078 0.000 1.063 228 M CA 1.212 56.580 55.300 0.113 0.000 1.119 228 M CB -0.610 32.048 32.600 0.096 0.000 1.377 228 M HN 0.310 nan 8.290 nan 0.000 0.415 229 I N -0.032 120.572 120.570 0.058 0.000 2.226 229 I HA -0.290 3.889 4.170 0.016 0.000 0.245 229 I C 2.469 178.614 176.117 0.046 0.000 1.100 229 I CA 1.351 62.675 61.300 0.040 0.000 1.374 229 I CB -0.378 37.635 38.000 0.021 0.000 1.057 229 I HN 0.362 nan 8.210 nan 0.000 0.413 230 E N 1.095 121.328 120.200 0.056 0.000 2.106 230 E HA -0.273 4.087 4.350 0.016 0.000 0.192 230 E C 2.186 178.830 176.600 0.073 0.000 0.984 230 E CA 1.276 57.714 56.400 0.063 0.000 0.806 230 E CB 0.104 29.848 29.700 0.074 0.000 0.750 230 E HN 0.298 nan 8.360 nan 0.000 0.458 231 K N -0.202 120.250 120.400 0.087 0.000 2.044 231 K HA -0.067 4.263 4.320 0.016 0.000 0.204 231 K C 1.752 178.397 176.600 0.075 0.000 1.049 231 K CA 1.453 57.794 56.287 0.091 0.000 0.945 231 K CB 0.382 32.945 32.500 0.105 0.000 0.724 231 K HN 0.204 nan 8.250 nan 0.000 0.440 232 V N -4.311 115.643 119.914 0.066 0.000 3.477 232 V HA 0.498 4.628 4.120 0.016 0.000 0.297 232 V C 0.803 176.924 176.094 0.044 0.000 1.433 232 V CA 0.384 62.717 62.300 0.055 0.000 1.052 232 V CB 0.458 32.313 31.823 0.053 0.000 0.895 232 V HN 0.450 nan 8.190 nan 0.000 0.438 233 G N 0.199 109.025 108.800 0.043 0.000 2.397 233 G HA2 0.209 4.179 3.960 0.016 0.000 0.211 233 G HA3 0.209 4.179 3.960 0.016 0.000 0.211 233 G C 0.328 175.245 174.900 0.029 0.000 1.077 233 G CA -0.013 45.108 45.100 0.034 0.000 0.649 233 G HN 2.037 nan 8.290 nan 0.000 0.511 234 A N 0.109 122.947 122.820 0.030 0.000 2.608 234 A HA 0.753 5.082 4.320 0.016 0.000 0.292 234 A C -0.298 177.302 177.584 0.027 0.000 1.066 234 A CA -0.204 51.848 52.037 0.025 0.000 0.676 234 A CB 0.854 19.866 19.000 0.020 0.000 1.277 234 A HN 0.544 nan 8.150 nan 0.000 0.413 235 M N 1.114 120.728 119.600 0.024 0.000 2.228 235 M HA 0.327 4.816 4.480 0.016 0.000 0.326 235 M C 0.774 177.085 176.300 0.018 0.000 1.122 235 M CA 0.094 55.407 55.300 0.023 0.000 1.161 235 M CB 0.147 32.760 32.600 0.021 0.000 1.437 235 M HN 0.781 nan 8.290 nan 0.000 0.465 236 R N 0.918 121.427 120.500 0.016 0.000 2.694 236 R HA 0.245 4.594 4.340 0.016 0.000 0.268 236 R C -2.005 174.302 176.300 0.010 0.000 1.061 236 R CA -1.244 54.863 56.100 0.012 0.000 1.133 236 R CB -0.597 29.709 30.300 0.010 0.000 1.020 236 R HN 0.392 nan 8.270 nan 0.000 0.475 237 P HA -0.072 nan 4.420 nan 0.000 0.267 237 P C -0.689 176.615 177.300 0.007 0.000 1.200 237 P CA -0.073 63.032 63.100 0.008 0.000 0.772 237 P CB 0.435 32.139 31.700 0.007 0.000 0.855 238 E N 1.672 121.876 120.200 0.007 0.000 2.558 238 E HA 0.225 4.584 4.350 0.016 0.000 0.255 238 E C -0.395 176.208 176.600 0.005 0.000 0.968 238 E CA -0.099 56.304 56.400 0.006 0.000 0.939 238 E CB 0.043 29.747 29.700 0.007 0.000 0.921 238 E HN 0.479 nan 8.360 nan 0.000 0.477 239 A N 5.484 128.307 122.820 0.004 0.000 2.322 239 A HA 0.473 4.803 4.320 0.016 0.000 0.269 239 A C -2.092 175.494 177.584 0.003 0.000 1.094 239 A CA -1.354 50.685 52.037 0.003 0.000 0.807 239 A CB -0.070 18.931 19.000 0.001 0.000 1.047 239 A HN 0.673 nan 8.150 nan 0.000 0.487 240 P HA 0.244 nan 4.420 nan 0.000 0.266 240 P C -2.286 175.016 177.300 0.004 0.000 1.195 240 P CA -0.555 62.547 63.100 0.004 0.000 0.768 240 P CB -0.267 31.435 31.700 0.003 0.000 0.838 241 P HA 0.224 nan 4.420 nan 0.000 0.272 241 P C -0.656 176.648 177.300 0.007 0.000 1.223 241 P CA 0.214 63.319 63.100 0.007 0.000 0.784 241 P CB 0.711 32.416 31.700 0.009 0.000 0.923 242 I N 2.612 123.187 120.570 0.009 0.000 2.382 242 I HA 0.240 4.420 4.170 0.016 0.000 0.285 242 I C -0.017 176.108 176.117 0.015 0.000 1.007 242 I CA -0.605 60.700 61.300 0.010 0.000 1.142 242 I CB 1.106 39.111 38.000 0.008 0.000 1.289 242 I HN 0.161 nan 8.210 nan 0.000 0.453 243 N N 5.773 124.482 118.700 0.016 0.000 2.399 243 N HA 0.514 5.263 4.740 0.016 0.000 0.295 243 N C -0.873 174.652 175.510 0.025 0.000 1.048 243 N CA -0.454 52.608 53.050 0.020 0.000 0.886 243 N CB 2.807 41.304 38.487 0.017 0.000 1.185 243 N HN 0.147 nan 8.380 nan 0.000 0.487 244 V N 1.403 121.336 119.914 0.032 0.000 2.409 244 V HA 0.547 4.677 4.120 0.016 0.000 0.291 244 V C 0.026 176.144 176.094 0.041 0.000 1.020 244 V CA -0.609 61.715 62.300 0.041 0.000 0.848 244 V CB 1.289 33.146 31.823 0.057 0.000 0.990 244 V HN 0.848 nan 8.190 nan 0.000 0.430 245 T N 1.892 116.468 114.554 0.037 0.000 2.906 245 T HA 0.674 5.034 4.350 0.016 0.000 0.295 245 T C -0.765 173.956 174.700 0.035 0.000 1.061 245 T CA -0.850 61.270 62.100 0.033 0.000 1.000 245 T CB 2.342 71.224 68.868 0.024 0.000 1.103 245 T HN 0.515 nan 8.240 nan 0.000 0.486 246 Q N 1.455 121.273 119.800 0.030 0.000 2.932 246 Q HA 0.250 4.599 4.340 0.016 0.000 0.248 246 Q C -1.925 174.082 176.000 0.010 0.000 0.982 246 Q CA -1.923 53.894 55.803 0.023 0.000 0.730 246 Q CB 1.713 30.467 28.738 0.026 0.000 1.249 246 Q HN 0.558 nan 8.270 nan 0.000 0.476 247 P HA -0.157 nan 4.420 nan 0.000 0.222 247 P C 0.173 177.472 177.300 -0.001 0.000 1.147 247 P CA 1.151 64.254 63.100 0.006 0.000 0.790 247 P CB 0.464 32.169 31.700 0.008 0.000 0.780 248 E N -0.300 119.898 120.200 -0.002 0.000 2.465 248 E HA 0.354 4.713 4.350 0.016 0.000 0.195 248 E C 0.895 177.481 176.600 -0.022 0.000 1.028 248 E CA 0.016 56.410 56.400 -0.009 0.000 0.899 248 E CB 0.123 29.820 29.700 -0.005 0.000 1.032 248 E HN 0.197 nan 8.360 nan 0.000 0.468 249 G N 1.054 109.838 108.800 -0.028 0.000 2.660 249 G HA2 -0.247 3.723 3.960 0.016 0.000 0.215 249 G HA3 -0.247 3.723 3.960 0.016 0.000 0.215 249 G C -0.082 174.771 174.900 -0.079 0.000 1.345 249 G CA -0.461 44.604 45.100 -0.059 0.000 0.877 249 G HN 0.391 nan 8.290 nan 0.000 0.549 250 V N -2.517 117.293 119.914 -0.174 0.000 2.966 250 V HA 0.864 4.993 4.120 0.016 0.000 0.317 250 V C 1.516 177.493 176.094 -0.194 0.000 1.070 250 V CA 0.904 63.058 62.300 -0.244 0.000 1.008 250 V CB 1.469 32.901 31.823 -0.652 0.000 1.070 250 V HN 2.348 nan 8.190 nan 0.000 0.457 251 S N 1.631 117.312 115.700 -0.033 0.000 2.501 251 S HA 0.176 4.656 4.470 0.016 0.000 0.220 251 S C 0.589 175.284 174.600 0.159 0.000 0.997 251 S CA 0.069 58.316 58.200 0.078 0.000 0.919 251 S CB -0.721 62.584 63.200 0.175 0.000 0.778 251 S HN 1.018 nan 8.310 nan 0.000 0.523 252 F N 1.287 121.376 119.950 0.232 0.000 2.370 252 F HA 0.723 5.259 4.527 0.016 0.000 0.324 252 F C -0.065 175.767 175.800 0.053 0.000 1.116 252 F CA -1.160 56.958 58.000 0.197 0.000 1.123 252 F CB 0.704 39.807 39.000 0.172 0.000 1.238 252 F HN -0.087 nan 8.300 nan 0.000 0.536 253 K N 3.633 124.183 120.400 0.250 0.000 2.507 253 K HA 0.381 4.710 4.320 0.016 0.000 0.252 253 K C -1.455 175.195 176.600 0.085 0.000 0.943 253 K CA -0.779 55.568 56.287 0.100 0.000 0.808 253 K CB 1.157 33.679 32.500 0.037 0.000 1.142 253 K HN 0.736 nan 8.250 nan 0.000 0.426 254 M N 2.874 122.509 119.600 0.057 0.000 2.238 254 M HA 0.242 4.731 4.480 0.016 0.000 0.350 254 M C -0.650 175.640 176.300 -0.017 0.000 1.138 254 M CA -0.396 54.870 55.300 -0.056 0.000 1.040 254 M CB 1.623 34.104 32.600 -0.199 0.000 1.639 254 M HN 0.508 nan 8.290 nan 0.000 0.451 255 T N 2.588 117.124 114.554 -0.030 0.000 2.977 255 T HA 0.538 4.898 4.350 0.016 0.000 0.346 255 T C 0.833 175.548 174.700 0.024 0.000 1.140 255 T CA 0.223 62.333 62.100 0.017 0.000 1.040 255 T CB 0.928 69.816 68.868 0.032 0.000 1.046 255 T HN 1.029 nan 8.240 nan 0.000 0.494 256 G N 4.686 113.511 108.800 0.041 0.000 2.596 256 G HA2 -0.356 3.614 3.960 0.016 0.000 0.304 256 G HA3 -0.356 3.614 3.960 0.016 0.000 0.304 256 G C 0.754 175.636 174.900 -0.029 0.000 1.189 256 G CA 0.478 45.606 45.100 0.046 0.000 0.986 256 G HN 0.597 nan 8.290 nan 0.000 0.548 257 N N 0.157 118.810 118.700 -0.080 0.000 2.270 257 N HA 0.366 5.115 4.740 0.016 0.000 0.198 257 N C 0.154 175.424 175.510 -0.400 0.000 1.117 257 N CA 0.494 53.378 53.050 -0.278 0.000 0.845 257 N CB 0.776 39.016 38.487 -0.411 0.000 0.980 257 N HN 0.434 nan 8.380 nan 0.000 0.486 258 V N 1.850 121.629 119.914 -0.225 0.000 2.432 258 V HA 0.296 4.426 4.120 0.016 0.000 0.275 258 V C 0.012 175.923 176.094 -0.306 0.000 1.043 258 V CA -0.631 61.538 62.300 -0.218 0.000 0.925 258 V CB 1.130 32.938 31.823 -0.025 0.000 0.985 258 V HN 0.159 nan 8.190 nan 0.000 0.466 259 M N 5.409 124.680 119.600 -0.547 0.000 2.336 259 M HA 0.529 5.018 4.480 0.016 0.000 0.342 259 M C -0.608 175.400 176.300 -0.487 0.000 1.128 259 M CA 0.130 55.042 55.300 -0.646 0.000 1.016 259 M CB 1.358 33.217 32.600 -1.234 0.000 1.665 259 M HN 0.648 nan 8.290 nan 0.000 0.445 260 E N 3.785 123.871 120.200 -0.190 0.000 2.224 260 E HA 0.523 4.883 4.350 0.016 0.000 0.265 260 E C -2.175 174.522 176.600 0.162 0.000 0.878 260 E CA -0.312 56.069 56.400 -0.031 0.000 0.759 260 E CB 1.769 31.462 29.700 -0.013 0.000 1.164 260 E HN 0.762 nan 8.360 nan 0.000 0.414 261 W N 2.589 123.891 121.300 0.004 0.000 3.827 261 W HA 0.194 4.863 4.660 0.015 0.000 0.307 261 W C -0.363 176.253 176.519 0.161 0.000 1.204 261 W CA -0.438 56.966 57.345 0.098 0.000 1.250 261 W CB 1.433 30.953 29.460 0.100 0.000 1.281 261 W HN 0.465 nan 8.180 nan 0.000 0.494 262 S N 5.069 120.344 115.700 -0.709 0.000 3.559 262 S HA -0.325 4.154 4.470 0.016 0.000 0.369 262 S C 0.866 175.172 174.600 -0.491 0.000 0.987 262 S CA 1.964 59.695 58.200 -0.782 0.000 1.187 262 S CB -1.362 60.935 63.200 -1.504 0.000 0.914 262 S HN 1.037 nan 8.310 nan 0.000 0.480 263 N N -2.467 115.966 118.700 -0.445 0.000 2.951 263 N HA -0.184 4.566 4.740 0.016 0.000 0.213 263 N C -0.072 175.096 175.510 -0.571 0.000 0.877 263 N CA 1.825 54.469 53.050 -0.677 0.000 1.042 263 N CB -1.583 36.143 38.487 -1.269 0.000 1.005 263 N HN 0.579 nan 8.380 nan 0.000 0.604 264 F N 1.710 121.585 119.950 -0.125 0.000 2.459 264 F HA 0.358 4.894 4.527 0.015 0.000 0.346 264 F C 1.060 176.925 175.800 0.108 0.000 1.128 264 F CA 0.392 58.488 58.000 0.160 0.000 1.268 264 F CB 0.737 40.003 39.000 0.443 0.000 1.161 264 F HN -0.152 nan 8.300 nan 0.000 0.583 265 K N 3.962 124.589 120.400 0.379 0.000 2.468 265 K HA 0.651 4.981 4.320 0.016 0.000 0.252 265 K C -1.701 175.094 176.600 0.325 0.000 0.932 265 K CA -0.541 55.850 56.287 0.173 0.000 0.794 265 K CB 1.642 34.202 32.500 0.099 0.000 1.241 265 K HN 0.531 nan 8.250 nan 0.000 0.428 266 F N -0.583 119.379 119.950 0.020 0.000 2.773 266 F HA 0.358 4.894 4.527 0.016 0.000 0.314 266 F C -1.502 174.286 175.800 -0.020 0.000 1.160 266 F CA -1.192 56.819 58.000 0.018 0.000 0.920 266 F CB 0.900 39.884 39.000 -0.027 0.000 1.323 266 F HN 0.433 nan 8.300 nan 0.000 0.457 267 H N 2.550 121.678 119.070 0.098 0.000 2.488 267 H HA 0.554 5.119 4.556 0.016 0.000 0.322 267 H C -1.088 174.241 175.328 0.003 0.000 1.078 267 H CA -0.552 55.439 56.048 -0.094 0.000 1.260 267 H CB 1.429 31.061 29.762 -0.218 0.000 1.425 267 H HN 0.714 nan 8.280 nan 0.000 0.471 268 I N 5.302 125.547 120.570 -0.542 0.000 2.297 268 I HA 0.236 4.415 4.170 0.016 0.000 0.291 268 I C 0.957 176.850 176.117 -0.374 0.000 1.033 268 I CA -0.284 60.842 61.300 -0.290 0.000 1.253 268 I CB 1.129 39.008 38.000 -0.202 0.000 1.396 268 I HN 0.534 nan 8.210 nan 0.000 0.476 269 G N 5.344 114.112 108.800 -0.053 0.000 2.597 269 G HA2 0.746 4.715 3.960 0.016 0.000 0.317 269 G HA3 0.746 4.715 3.960 0.016 0.000 0.317 269 G C -1.659 173.356 174.900 0.191 0.000 1.230 269 G CA -0.385 44.789 45.100 0.123 0.000 0.996 269 G HN 0.386 nan 8.290 nan 0.000 0.490 270 F N 0.608 120.578 119.950 0.033 0.000 2.650 270 F HA 0.498 5.035 4.527 0.016 0.000 0.310 270 F C -1.029 174.834 175.800 0.106 0.000 1.112 270 F CA -0.869 57.158 58.000 0.046 0.000 0.986 270 F CB 2.224 41.248 39.000 0.040 0.000 1.285 270 F HN 0.811 nan 8.300 nan 0.000 0.440 271 N N 1.837 120.352 118.700 -0.309 0.000 2.774 271 N HA 0.233 4.983 4.740 0.016 0.000 0.264 271 N C 0.072 175.437 175.510 -0.242 0.000 1.415 271 N CA -0.504 52.528 53.050 -0.031 0.000 0.815 271 N CB 0.302 38.830 38.487 0.068 0.000 1.514 271 N HN 0.515 nan 8.380 nan 0.000 0.523 272 Y N -1.350 118.799 120.300 -0.251 0.000 2.384 272 Y HA 0.076 4.636 4.550 0.016 0.000 0.289 272 Y C 2.014 177.443 175.900 -0.786 0.000 1.152 272 Y CA 1.335 58.925 58.100 -0.851 0.000 1.258 272 Y CB -0.289 37.349 38.460 -1.370 0.000 0.979 272 Y HN 0.661 nan 8.280 nan 0.000 0.549 273 R N 0.171 119.867 120.500 -1.339 0.000 2.098 273 R HA 0.121 4.471 4.340 0.016 0.000 0.203 273 R C 1.861 177.724 176.300 -0.728 0.000 1.166 273 R CA 0.798 56.149 56.100 -1.248 0.000 1.090 273 R CB 0.090 29.372 30.300 -1.696 0.000 0.992 273 R HN 0.353 nan 8.270 nan 0.000 0.477 274 E N -0.079 119.791 120.200 -0.552 0.000 2.371 274 E HA 0.131 4.491 4.350 0.016 0.000 0.194 274 E C 0.822 177.203 176.600 -0.364 0.000 1.012 274 E CA 0.417 56.618 56.400 -0.331 0.000 0.860 274 E CB 0.468 30.065 29.700 -0.173 0.000 0.811 274 E HN 0.554 nan 8.360 nan 0.000 0.502 275 G N 1.947 110.367 108.800 -0.633 0.000 2.536 275 G HA2 -0.352 3.617 3.960 0.016 0.000 0.280 275 G HA3 -0.352 3.617 3.960 0.016 0.000 0.280 275 G C 0.145 174.600 174.900 -0.742 0.000 1.152 275 G CA -0.091 44.446 45.100 -0.938 0.000 0.970 275 G HN 0.204 nan 8.290 nan 0.000 0.549 276 I N 1.176 121.675 120.570 -0.118 0.000 2.683 276 I HA 0.331 4.511 4.170 0.016 0.000 0.286 276 I C 0.325 176.311 176.117 -0.218 0.000 1.175 276 I CA 0.112 61.429 61.300 0.028 0.000 1.429 276 I CB 0.790 38.854 38.000 0.106 0.000 1.371 276 I HN 0.334 nan 8.210 nan 0.000 0.569 277 V N 7.917 127.711 119.914 -0.199 0.000 2.483 277 V HA 0.378 4.507 4.120 0.016 0.000 0.297 277 V C -0.125 175.822 176.094 -0.245 0.000 1.027 277 V CA -0.585 61.558 62.300 -0.262 0.000 0.855 277 V CB 1.722 33.454 31.823 -0.152 0.000 0.995 277 V HN 0.443 nan 8.190 nan 0.000 0.424 278 L N 3.957 124.953 121.223 -0.377 0.000 2.282 278 L HA 0.664 5.013 4.340 0.016 0.000 0.288 278 L C 0.175 176.959 176.870 -0.144 0.000 1.033 278 L CA 0.100 54.803 54.840 -0.229 0.000 0.807 278 L CB 1.675 43.509 42.059 -0.374 0.000 1.209 278 L HN 0.609 nan 8.230 nan 0.000 0.423 279 S N 0.860 116.555 115.700 -0.008 0.000 2.599 279 S HA 0.322 4.801 4.470 0.016 0.000 0.294 279 S C -0.451 174.177 174.600 0.048 0.000 1.094 279 S CA -0.482 57.658 58.200 -0.101 0.000 0.931 279 S CB 1.753 64.826 63.200 -0.211 0.000 1.093 279 S HN 0.754 nan 8.310 nan 0.000 0.488 280 D N 1.006 121.403 120.400 -0.006 0.000 2.705 280 D HA -0.141 4.508 4.640 0.016 0.000 0.240 280 D C -0.688 175.768 176.300 0.259 0.000 1.137 280 D CA 0.380 54.502 54.000 0.203 0.000 0.677 280 D CB -1.206 39.791 40.800 0.328 0.000 1.049 280 D HN 0.219 nan 8.370 nan 0.000 0.427 281 V N 1.166 121.220 119.914 0.232 0.000 2.432 281 V HA 0.546 4.675 4.120 0.016 0.000 0.271 281 V C 0.933 177.170 176.094 0.238 0.000 1.046 281 V CA 0.341 62.812 62.300 0.285 0.000 0.945 281 V CB 1.408 33.368 31.823 0.228 0.000 0.992 281 V HN 0.471 nan 8.190 nan 0.000 0.471 282 S N 4.562 120.450 115.700 0.314 0.000 2.632 282 S HA 0.767 5.246 4.470 0.016 0.000 0.289 282 S C -1.299 173.500 174.600 0.331 0.000 1.115 282 S CA -0.796 57.561 58.200 0.261 0.000 0.889 282 S CB 2.010 65.327 63.200 0.196 0.000 1.116 282 S HN 0.586 nan 8.310 nan 0.000 0.486 283 Y N 1.623 122.002 120.300 0.133 0.000 2.361 283 Y HA 0.498 5.057 4.550 0.016 0.000 0.337 283 Y C -0.483 175.458 175.900 0.070 0.000 0.965 283 Y CA -0.722 57.399 58.100 0.035 0.000 1.091 283 Y CB 1.527 39.991 38.460 0.008 0.000 1.182 283 Y HN 0.847 nan 8.280 nan 0.000 0.450 284 N N 4.902 123.406 118.700 -0.325 0.000 2.448 284 N HA 0.009 4.759 4.740 0.016 0.000 0.250 284 N C -1.142 174.298 175.510 -0.117 0.000 1.136 284 N CA 0.109 53.055 53.050 -0.173 0.000 0.953 284 N CB 0.202 38.555 38.487 -0.224 0.000 1.251 284 N HN 0.662 nan 8.380 nan 0.000 0.502 285 D N 3.021 123.551 120.400 0.217 0.000 2.517 285 D HA 0.049 4.699 4.640 0.016 0.000 0.220 285 D C -0.231 176.186 176.300 0.194 0.000 1.158 285 D CA 0.025 54.235 54.000 0.350 0.000 0.992 285 D CB -0.568 40.516 40.800 0.474 0.000 1.058 285 D HN 0.454 nan 8.370 nan 0.000 0.516 286 H N 2.135 121.257 119.070 0.086 0.000 2.626 286 H HA -0.214 4.351 4.556 0.016 0.000 0.317 286 H C 1.345 176.685 175.328 0.020 0.000 1.140 286 H CA 1.236 57.303 56.048 0.033 0.000 1.134 286 H CB -1.180 28.603 29.762 0.035 0.000 1.486 286 H HN 0.734 nan 8.280 nan 0.000 0.417 287 G N -0.239 108.596 108.800 0.059 0.000 2.279 287 G HA2 -0.313 3.657 3.960 0.016 0.000 0.223 287 G HA3 -0.313 3.657 3.960 0.016 0.000 0.223 287 G C 0.252 175.173 174.900 0.036 0.000 1.015 287 G CA 0.127 45.250 45.100 0.038 0.000 0.621 287 G HN 0.587 nan 8.290 nan 0.000 0.506 288 N N 1.231 119.968 118.700 0.061 0.000 2.415 288 N HA 0.449 5.199 4.740 0.016 0.000 0.246 288 N C 0.126 175.678 175.510 0.070 0.000 1.078 288 N CA -0.059 53.022 53.050 0.050 0.000 0.942 288 N CB 1.099 39.611 38.487 0.043 0.000 1.140 288 N HN 0.219 nan 8.380 nan 0.000 0.501 289 V N 5.518 125.461 119.914 0.049 0.000 2.387 289 V HA 0.240 4.370 4.120 0.016 0.000 0.260 289 V C 0.600 176.748 176.094 0.091 0.000 1.054 289 V CA -0.227 62.112 62.300 0.065 0.000 0.967 289 V CB -0.301 31.544 31.823 0.038 0.000 1.036 289 V HN 0.481 nan 8.190 nan 0.000 0.481 290 R N 5.965 126.559 120.500 0.157 0.000 2.265 290 R HA 0.422 4.771 4.340 0.016 0.000 0.328 290 R C -2.709 173.719 176.300 0.213 0.000 0.969 290 R CA -1.858 54.344 56.100 0.171 0.000 0.832 290 R CB 1.584 32.004 30.300 0.200 0.000 1.139 290 R HN 0.404 nan 8.270 nan 0.000 0.457 291 P HA 0.041 nan 4.420 nan 0.000 0.269 291 P C -0.070 177.274 177.300 0.073 0.000 1.215 291 P CA 0.263 63.436 63.100 0.121 0.000 0.780 291 P CB 0.803 32.562 31.700 0.099 0.000 0.898 292 I N -0.257 120.259 120.570 -0.089 0.000 3.746 292 I HA 0.206 4.385 4.170 0.016 0.000 0.262 292 I C -0.113 175.679 176.117 -0.542 0.000 1.153 292 I CA 0.473 61.468 61.300 -0.509 0.000 1.395 292 I CB 0.292 37.730 38.000 -0.937 0.000 1.589 292 I HN 0.116 nan 8.210 nan 0.000 0.441 293 F N -0.454 119.455 119.950 -0.068 0.000 2.556 293 F HA 0.328 4.864 4.527 0.015 0.000 0.314 293 F C 0.759 176.568 175.800 0.015 0.000 1.106 293 F CA -1.211 56.749 58.000 -0.066 0.000 0.911 293 F CB 0.974 39.889 39.000 -0.142 0.000 1.190 293 F HN -0.091 nan 8.300 nan 0.000 0.448 294 H N 1.576 120.726 119.070 0.134 0.000 2.395 294 H HA 0.231 4.797 4.556 0.016 0.000 0.299 294 H C 0.279 175.611 175.328 0.008 0.000 1.070 294 H CA 1.613 57.693 56.048 0.053 0.000 1.356 294 H CB 0.443 30.190 29.762 -0.024 0.000 1.401 294 H HN 0.543 nan 8.280 nan 0.000 0.524 295 R N -0.135 120.295 120.500 -0.117 0.000 2.579 295 R HA 0.390 4.739 4.340 0.016 0.000 0.260 295 R C -2.099 174.050 176.300 -0.251 0.000 1.103 295 R CA -0.626 55.332 56.100 -0.238 0.000 0.942 295 R CB 1.300 31.451 30.300 -0.249 0.000 1.251 295 R HN 0.249 nan 8.270 nan 0.000 0.450 296 I N 2.606 122.983 120.570 -0.322 0.000 2.656 296 I HA 0.600 4.779 4.170 0.016 0.000 0.292 296 I C -1.485 174.355 176.117 -0.460 0.000 1.144 296 I CA -0.108 60.949 61.300 -0.405 0.000 1.038 296 I CB 2.089 39.793 38.000 -0.494 0.000 1.244 296 I HN 0.896 nan 8.210 nan 0.000 0.420 297 S N 6.311 121.846 115.700 -0.275 0.000 2.636 297 S HA 0.543 5.023 4.470 0.016 0.000 0.266 297 S C -1.554 173.136 174.600 0.150 0.000 1.147 297 S CA -1.052 57.051 58.200 -0.162 0.000 0.815 297 S CB 1.159 64.256 63.200 -0.172 0.000 1.119 297 S HN 0.591 nan 8.310 nan 0.000 0.470 298 L N 2.586 123.973 121.223 0.273 0.000 2.276 298 L HA 0.491 4.841 4.340 0.016 0.000 0.286 298 L C 1.235 178.156 176.870 0.086 0.000 1.061 298 L CA -0.123 54.847 54.840 0.217 0.000 0.807 298 L CB 1.683 43.901 42.059 0.265 0.000 1.177 298 L HN 1.054 nan 8.230 nan 0.000 0.429 299 S N 0.592 116.323 115.700 0.052 0.000 2.524 299 S HA 0.224 4.704 4.470 0.016 0.000 0.222 299 S C 0.264 174.859 174.600 -0.007 0.000 1.040 299 S CA -0.258 57.996 58.200 0.089 0.000 0.915 299 S CB 0.634 63.944 63.200 0.184 0.000 0.831 299 S HN 0.635 nan 8.310 nan 0.000 0.492 300 E N -0.466 119.616 120.200 -0.195 0.000 2.409 300 E HA 0.682 5.041 4.350 0.016 0.000 0.280 300 E C -1.744 174.695 176.600 -0.268 0.000 1.079 300 E CA -0.430 55.807 56.400 -0.272 0.000 0.840 300 E CB 1.431 30.874 29.700 -0.429 0.000 1.309 300 E HN 0.335 nan 8.360 nan 0.000 0.447 301 M N 1.474 121.032 119.600 -0.070 0.000 2.664 301 M HA 0.652 5.142 4.480 0.016 0.000 0.279 301 M C -1.155 175.286 176.300 0.235 0.000 1.275 301 M CA -0.940 54.350 55.300 -0.017 0.000 0.829 301 M CB 2.514 34.969 32.600 -0.242 0.000 1.727 301 M HN 0.581 nan 8.290 nan 0.000 0.459 302 I N 0.441 121.100 120.570 0.150 0.000 2.752 302 I HA 0.501 4.681 4.170 0.016 0.000 0.295 302 I C -1.633 174.465 176.117 -0.031 0.000 1.219 302 I CA -0.681 60.667 61.300 0.080 0.000 1.030 302 I CB 2.160 40.186 38.000 0.044 0.000 1.259 302 I HN 0.425 nan 8.210 nan 0.000 0.423 303 V N 8.073 128.005 119.914 0.029 0.000 2.320 303 V HA 0.335 4.464 4.120 0.016 0.000 0.257 303 V C -2.347 173.791 176.094 0.073 0.000 0.996 303 V CA -1.184 61.105 62.300 -0.019 0.000 0.928 303 V CB 0.643 32.486 31.823 0.033 0.000 1.169 303 V HN 0.514 nan 8.190 nan 0.000 0.475 304 P HA 0.255 nan 4.420 nan 0.000 0.282 304 P C -0.779 176.528 177.300 0.012 0.000 1.262 304 P CA -0.089 63.064 63.100 0.089 0.000 0.773 304 P CB 0.773 32.457 31.700 -0.027 0.000 0.879 305 Y N 1.107 121.457 120.300 0.083 0.000 2.300 305 Y HA 0.417 4.977 4.550 0.016 0.000 0.328 305 Y C 2.008 177.898 175.900 -0.017 0.000 1.270 305 Y CA 0.266 58.406 58.100 0.067 0.000 1.352 305 Y CB 0.867 39.367 38.460 0.066 0.000 1.286 305 Y HN 0.468 nan 8.280 nan 0.000 0.536 306 G N 0.104 108.959 108.800 0.091 0.000 3.453 306 G HA2 0.025 3.995 3.960 0.016 0.000 0.263 306 G HA3 0.025 3.995 3.960 0.016 0.000 0.263 306 G C -0.243 174.581 174.900 -0.127 0.000 1.060 306 G CA -0.154 44.944 45.100 -0.003 0.000 0.793 306 G HN 0.427 nan 8.290 nan 0.000 0.532 307 S N 1.414 116.976 115.700 -0.230 0.000 2.475 307 S HA 0.464 4.943 4.470 0.016 0.000 0.281 307 S C -0.973 173.342 174.600 -0.475 0.000 1.198 307 S CA -1.383 56.525 58.200 -0.486 0.000 1.063 307 S CB 1.823 64.599 63.200 -0.706 0.000 0.972 307 S HN 0.071 nan 8.310 nan 0.000 0.486 308 P HA 0.098 nan 4.420 nan 0.000 0.245 308 P C -0.302 176.859 177.300 -0.231 0.000 1.206 308 P CA 0.190 63.030 63.100 -0.432 0.000 0.781 308 P CB 0.092 31.475 31.700 -0.529 0.000 0.994 309 E N 0.083 120.178 120.200 -0.176 0.000 2.338 309 E HA 0.151 4.511 4.350 0.016 0.000 0.272 309 E C -0.412 176.093 176.600 -0.158 0.000 1.029 309 E CA -0.784 55.581 56.400 -0.057 0.000 0.872 309 E CB 0.428 30.164 29.700 0.060 0.000 1.015 309 E HN 0.045 nan 8.360 nan 0.000 0.417 310 F N 4.858 124.661 119.950 -0.245 0.000 2.518 310 F HA 0.089 4.625 4.527 0.016 0.000 0.359 310 F C -1.387 174.102 175.800 -0.519 0.000 1.118 310 F CA -1.601 56.223 58.000 -0.293 0.000 1.287 310 F CB 0.840 39.740 39.000 -0.166 0.000 1.132 310 F HN 0.326 nan 8.300 nan 0.000 0.587 311 P HA 0.087 nan 4.420 nan 0.000 0.254 311 P C 0.163 176.994 177.300 -0.781 0.000 1.620 311 P CA 0.238 62.498 63.100 -1.399 0.000 1.050 311 P CB -0.135 30.920 31.700 -1.074 0.000 1.539 312 H N 0.740 119.538 119.070 -0.453 0.000 2.546 312 H HA -0.064 4.501 4.556 0.016 0.000 0.277 312 H C 2.106 177.289 175.328 -0.241 0.000 1.004 312 H CA 0.891 56.721 56.048 -0.363 0.000 1.231 312 H CB -0.205 29.331 29.762 -0.376 0.000 1.382 312 H HN 0.396 nan 8.280 nan 0.000 0.580 313 Q N 1.815 121.527 119.800 -0.145 0.000 2.291 313 Q HA -0.149 4.201 4.340 0.016 0.000 0.206 313 Q C 1.345 177.412 176.000 0.111 0.000 0.976 313 Q CA 1.011 56.790 55.803 -0.040 0.000 0.875 313 Q CB -0.327 28.368 28.738 -0.071 0.000 0.927 313 Q HN 0.408 nan 8.270 nan 0.000 0.450 314 R N 0.847 121.333 120.500 -0.023 0.000 2.313 314 R HA 0.152 4.502 4.340 0.016 0.000 0.199 314 R C 0.175 176.455 176.300 -0.033 0.000 0.958 314 R CA 0.139 56.242 56.100 0.006 0.000 1.047 314 R CB 0.209 30.441 30.300 -0.114 0.000 0.955 314 R HN 0.155 nan 8.270 nan 0.000 0.481 315 K N 2.202 122.623 120.400 0.034 0.000 2.244 315 K HA 0.078 4.408 4.320 0.016 0.000 0.263 315 K C -0.328 176.528 176.600 0.427 0.000 1.103 315 K CA -0.062 56.289 56.287 0.106 0.000 0.966 315 K CB 0.397 32.711 32.500 -0.310 0.000 1.429 315 K HN 0.310 nan 8.250 nan 0.000 0.434 316 H N 0.204 119.496 119.070 0.369 0.000 3.080 316 H HA 0.202 4.767 4.556 0.016 0.000 0.211 316 H C -0.753 174.708 175.328 0.222 0.000 1.359 316 H CA -0.716 55.487 56.048 0.258 0.000 1.322 316 H CB -0.508 29.323 29.762 0.115 0.000 2.164 316 H HN 0.363 nan 8.280 nan 0.000 0.526 317 A N 2.000 124.958 122.820 0.230 0.000 2.546 317 A HA 0.293 4.622 4.320 0.016 0.000 0.243 317 A C 0.195 177.833 177.584 0.089 0.000 1.063 317 A CA -0.199 51.899 52.037 0.103 0.000 0.757 317 A CB 0.092 19.090 19.000 -0.002 0.000 0.991 317 A HN 0.491 nan 8.150 nan 0.000 0.503 318 L N 3.561 124.809 121.223 0.042 0.000 2.407 318 L HA 0.215 4.565 4.340 0.016 0.000 0.261 318 L C 0.683 177.535 176.870 -0.030 0.000 1.108 318 L CA -0.026 54.844 54.840 0.049 0.000 0.995 318 L CB 0.652 42.769 42.059 0.096 0.000 1.349 318 L HN 0.734 nan 8.230 nan 0.000 0.423 319 D N 1.354 121.765 120.400 0.017 0.000 2.123 319 D HA -0.184 4.465 4.640 0.016 0.000 0.196 319 D C 2.051 178.313 176.300 -0.062 0.000 0.992 319 D CA 1.591 55.655 54.000 0.106 0.000 0.833 319 D CB 0.356 41.249 40.800 0.155 0.000 0.954 319 D HN 0.487 nan 8.370 nan 0.000 0.455 320 I N 0.903 121.373 120.570 -0.166 0.000 2.142 320 I HA -0.169 4.011 4.170 0.016 0.000 0.240 320 I C 2.534 178.455 176.117 -0.326 0.000 1.078 320 I CA 1.462 62.585 61.300 -0.294 0.000 1.343 320 I CB -0.308 37.536 38.000 -0.259 0.000 1.046 320 I HN 0.009 nan 8.210 nan 0.000 0.405 321 G N -0.403 108.243 108.800 -0.257 0.000 2.511 321 G HA2 -0.107 3.863 3.960 0.016 0.000 0.217 321 G HA3 -0.107 3.863 3.960 0.016 0.000 0.217 321 G C 1.436 176.198 174.900 -0.229 0.000 1.133 321 G CA 0.235 45.174 45.100 -0.268 0.000 0.792 321 G HN 0.409 nan 8.290 nan 0.000 0.539 322 E N -1.427 118.590 120.200 -0.304 0.000 2.389 322 E HA 0.140 4.499 4.350 0.016 0.000 0.199 322 E C 0.942 177.125 176.600 -0.695 0.000 0.978 322 E CA 0.270 56.364 56.400 -0.509 0.000 0.912 322 E CB 0.351 29.635 29.700 -0.694 0.000 0.907 322 E HN 0.586 nan 8.360 nan 0.000 0.494 323 Y N -0.417 119.853 120.300 -0.049 0.000 2.731 323 Y HA 0.355 4.914 4.550 0.016 0.000 0.269 323 Y C 0.805 176.697 175.900 -0.014 0.000 1.156 323 Y CA 0.208 58.302 58.100 -0.009 0.000 1.191 323 Y CB 1.038 39.479 38.460 -0.032 0.000 1.382 323 Y HN -0.039 nan 8.280 nan 0.000 0.477 324 G N 0.714 109.471 108.800 -0.072 0.000 3.338 324 G HA2 0.161 4.131 3.960 0.016 0.000 0.686 324 G HA3 0.161 4.131 3.960 0.016 0.000 0.686 324 G C 0.553 175.184 174.900 -0.448 0.000 1.053 324 G CA -0.337 44.563 45.100 -0.334 0.000 0.852 324 G HN 0.641 nan 8.290 nan 0.000 0.545 325 A N 1.161 123.557 122.820 -0.707 0.000 2.125 325 A HA 0.338 4.667 4.320 0.016 0.000 0.219 325 A C 2.524 179.872 177.584 -0.392 0.000 1.156 325 A CA 2.483 53.949 52.037 -0.952 0.000 0.671 325 A CB -0.302 18.196 19.000 -0.837 0.000 0.794 325 A HN 2.142 nan 8.150 nan 0.000 0.459 326 G N -1.710 106.860 108.800 -0.383 0.000 2.447 326 G HA2 -0.025 3.944 3.960 0.016 0.000 0.211 326 G HA3 -0.025 3.944 3.960 0.016 0.000 0.211 326 G C 1.372 176.356 174.900 0.139 0.000 1.184 326 G CA 0.708 45.766 45.100 -0.071 0.000 0.813 326 G HN 0.395 nan 8.290 nan 0.000 0.540 327 Y N 0.616 120.736 120.300 -0.300 0.000 2.207 327 Y HA 0.012 4.572 4.550 0.016 0.000 0.287 327 Y C 2.694 178.614 175.900 0.035 0.000 1.156 327 Y CA 0.540 58.481 58.100 -0.266 0.000 1.182 327 Y CB -0.116 38.210 38.460 -0.224 0.000 0.979 327 Y HN 0.104 nan 8.280 nan 0.000 0.521 328 M N -0.859 118.865 119.600 0.206 0.000 2.494 328 M HA 0.069 4.559 4.480 0.016 0.000 0.232 328 M C 0.654 177.154 176.300 0.332 0.000 1.137 328 M CA 0.219 55.663 55.300 0.239 0.000 1.012 328 M CB -1.127 31.612 32.600 0.232 0.000 1.567 328 M HN -0.094 nan 8.290 nan 0.000 0.486 329 T N 2.218 116.990 114.554 0.364 0.000 2.919 329 T HA 0.178 4.537 4.350 0.016 0.000 0.302 329 T C 0.316 175.189 174.700 0.287 0.000 1.031 329 T CA -0.073 62.266 62.100 0.398 0.000 1.127 329 T CB 0.419 69.593 68.868 0.510 0.000 0.952 329 T HN 0.385 nan 8.240 nan 0.000 0.540 330 N N 5.073 123.909 118.700 0.227 0.000 2.514 330 N HA 0.255 5.004 4.740 0.016 0.000 0.277 330 N C -2.651 172.919 175.510 0.101 0.000 1.126 330 N CA -1.531 51.606 53.050 0.144 0.000 0.978 330 N CB 0.943 39.495 38.487 0.109 0.000 1.106 330 N HN 0.394 nan 8.380 nan 0.000 0.461 331 P HA 0.030 nan 4.420 nan 0.000 0.267 331 P C 0.112 177.412 177.300 -0.001 0.000 1.209 331 P CA 0.162 63.265 63.100 0.005 0.000 0.763 331 P CB 0.690 32.382 31.700 -0.012 0.000 0.816 332 L N 1.704 122.918 121.223 -0.016 0.000 2.354 332 L HA -0.032 4.317 4.340 0.016 0.000 0.212 332 L C 2.385 179.254 176.870 -0.001 0.000 1.091 332 L CA 0.732 55.594 54.840 0.037 0.000 0.828 332 L CB -0.557 41.595 42.059 0.156 0.000 0.973 332 L HN 0.365 nan 8.230 nan 0.000 0.461 333 S N 0.658 116.259 115.700 -0.166 0.000 2.380 333 S HA -0.131 4.349 4.470 0.016 0.000 0.229 333 S C 0.989 175.563 174.600 -0.043 0.000 1.043 333 S CA 1.018 59.109 58.200 -0.182 0.000 1.038 333 S CB -0.324 62.676 63.200 -0.333 0.000 0.872 333 S HN 0.179 nan 8.310 nan 0.000 0.456 334 L N 1.379 122.582 121.223 -0.035 0.000 2.385 334 L HA 0.497 4.847 4.340 0.016 0.000 0.285 334 L C 0.921 177.801 176.870 0.016 0.000 1.125 334 L CA 0.360 55.197 54.840 -0.005 0.000 0.890 334 L CB 0.614 42.672 42.059 -0.003 0.000 1.251 334 L HN 0.245 nan 8.230 nan 0.000 0.445 335 G N 0.479 109.293 108.800 0.023 0.000 3.064 335 G HA2 0.087 4.056 3.960 0.016 0.000 0.151 335 G HA3 0.087 4.056 3.960 0.016 0.000 0.151 335 G C -0.337 174.576 174.900 0.023 0.000 1.489 335 G CA 0.213 45.329 45.100 0.027 0.000 1.066 335 G HN 0.578 nan 8.290 nan 0.000 0.740 336 C N 1.787 121.103 119.300 0.026 0.000 2.555 336 C HA 0.506 4.975 4.460 0.016 0.000 0.385 336 C C 1.188 176.202 174.990 0.039 0.000 1.296 336 C CA -0.575 58.465 59.018 0.037 0.000 1.757 336 C CB -0.027 27.734 27.740 0.036 0.000 2.445 336 C HN 0.549 nan 8.230 nan 0.000 0.571 337 D N 1.609 122.040 120.400 0.052 0.000 2.178 337 D HA -0.052 4.598 4.640 0.016 0.000 0.202 337 D C 0.315 176.656 176.300 0.068 0.000 0.974 337 D CA 1.331 55.368 54.000 0.063 0.000 0.841 337 D CB 0.300 41.144 40.800 0.072 0.000 0.953 337 D HN 0.741 nan 8.370 nan 0.000 0.478 338 C N 1.295 120.615 119.300 0.034 0.000 2.396 338 C HA 0.443 4.913 4.460 0.016 0.000 0.321 338 C C 0.106 175.041 174.990 -0.092 0.000 1.233 338 C CA -1.339 57.632 59.018 -0.079 0.000 1.440 338 C CB 1.941 29.553 27.740 -0.214 0.000 2.110 338 C HN 0.018 nan 8.230 nan 0.000 0.473 339 K N 2.013 122.373 120.400 -0.068 0.000 2.182 339 K HA 0.679 5.009 4.320 0.016 0.000 0.262 339 K C 0.533 177.146 176.600 0.022 0.000 0.957 339 K CA 0.700 56.986 56.287 -0.001 0.000 0.842 339 K CB 1.268 33.794 32.500 0.044 0.000 1.099 339 K HN 1.187 nan 8.250 nan 0.000 0.438 340 G N 0.856 109.676 108.800 0.032 0.000 2.428 340 G HA2 -0.183 3.787 3.960 0.016 0.000 0.202 340 G HA3 -0.183 3.787 3.960 0.016 0.000 0.202 340 G C -1.352 173.574 174.900 0.044 0.000 1.247 340 G CA -0.619 44.523 45.100 0.071 0.000 1.020 340 G HN 0.455 nan 8.290 nan 0.000 0.529 341 V N 1.942 121.905 119.914 0.082 0.000 2.368 341 V HA 0.492 4.622 4.120 0.016 0.000 0.266 341 V C 0.309 176.451 176.094 0.080 0.000 1.045 341 V CA -0.467 61.873 62.300 0.067 0.000 0.899 341 V CB 0.817 32.679 31.823 0.065 0.000 1.006 341 V HN 0.566 nan 8.190 nan 0.000 0.470 342 I N 4.374 124.931 120.570 -0.021 0.000 2.404 342 I HA 0.404 4.584 4.170 0.016 0.000 0.293 342 I C -0.010 176.032 176.117 -0.125 0.000 0.992 342 I CA -0.524 60.665 61.300 -0.185 0.000 1.149 342 I CB 1.468 39.109 38.000 -0.600 0.000 1.315 342 I HN 0.561 nan 8.210 nan 0.000 0.446 343 H N 6.652 125.654 119.070 -0.113 0.000 2.519 343 H HA 0.369 4.935 4.556 0.016 0.000 0.316 343 H C -1.536 173.672 175.328 -0.199 0.000 1.065 343 H CA -0.168 55.856 56.048 -0.040 0.000 1.264 343 H CB 0.783 30.636 29.762 0.150 0.000 1.413 343 H HN 0.362 nan 8.280 nan 0.000 0.465 344 Y N 3.962 124.237 120.300 -0.041 0.000 2.419 344 Y HA 0.332 4.892 4.550 0.016 0.000 0.328 344 Y C 0.117 176.011 175.900 -0.011 0.000 1.162 344 Y CA -0.670 57.419 58.100 -0.020 0.000 1.174 344 Y CB 1.502 39.914 38.460 -0.079 0.000 1.228 344 Y HN 0.405 nan 8.280 nan 0.000 0.473 345 L N 2.640 123.944 121.223 0.134 0.000 2.342 345 L HA 0.487 4.837 4.340 0.016 0.000 0.271 345 L C -0.952 175.834 176.870 -0.139 0.000 1.008 345 L CA -1.096 53.740 54.840 -0.007 0.000 0.818 345 L CB 1.625 43.643 42.059 -0.068 0.000 1.296 345 L HN 0.532 nan 8.230 nan 0.000 0.427 346 D N 1.258 121.535 120.400 -0.205 0.000 2.229 346 D HA 0.588 5.237 4.640 0.016 0.000 0.249 346 D C -0.305 175.617 176.300 -0.631 0.000 1.027 346 D CA -0.165 53.614 54.000 -0.369 0.000 0.923 346 D CB 2.127 42.740 40.800 -0.311 0.000 1.174 346 D HN 0.567 nan 8.370 nan 0.000 0.443 347 A N 1.465 123.848 122.820 -0.729 0.000 2.324 347 A HA 0.596 4.925 4.320 0.016 0.000 0.330 347 A C -1.008 175.937 177.584 -1.064 0.000 1.165 347 A CA -0.559 50.995 52.037 -0.805 0.000 0.813 347 A CB 0.456 19.090 19.000 -0.609 0.000 1.197 347 A HN 0.664 nan 8.150 nan 0.000 0.484 348 H N 0.482 119.226 119.070 -0.543 0.000 2.609 348 H HA 0.651 5.216 4.556 0.016 0.000 0.344 348 H C -1.288 173.829 175.328 -0.353 0.000 1.040 348 H CA -0.213 55.587 56.048 -0.413 0.000 1.216 348 H CB 1.388 31.067 29.762 -0.139 0.000 1.529 348 H HN 0.546 nan 8.280 nan 0.000 0.519 349 F N -0.305 119.814 119.950 0.281 0.000 2.691 349 F HA 0.539 5.075 4.527 0.016 0.000 0.334 349 F C 0.465 176.370 175.800 0.176 0.000 1.107 349 F CA -1.203 56.960 58.000 0.271 0.000 0.991 349 F CB 1.487 40.740 39.000 0.422 0.000 1.400 349 F HN 0.371 nan 8.300 nan 0.000 0.503 350 S N -0.017 115.907 115.700 0.374 0.000 2.565 350 S HA 0.538 5.018 4.470 0.016 0.000 0.290 350 S C -1.008 173.686 174.600 0.157 0.000 1.150 350 S CA -0.759 57.543 58.200 0.169 0.000 1.058 350 S CB 0.526 63.757 63.200 0.050 0.000 1.032 350 S HN 0.606 nan 8.310 nan 0.000 0.510 351 D N 2.219 122.673 120.400 0.091 0.000 2.506 351 D HA 0.253 4.902 4.640 0.016 0.000 0.272 351 D C 1.156 177.513 176.300 0.094 0.000 1.214 351 D CA -0.697 53.344 54.000 0.068 0.000 1.067 351 D CB 0.230 41.063 40.800 0.055 0.000 1.117 351 D HN 0.553 nan 8.370 nan 0.000 0.578 352 R N -0.566 119.984 120.500 0.083 0.000 2.096 352 R HA -0.110 4.240 4.340 0.016 0.000 0.235 352 R C 1.827 178.245 176.300 0.196 0.000 1.127 352 R CA 1.456 57.630 56.100 0.123 0.000 0.968 352 R CB -0.581 29.753 30.300 0.056 0.000 0.861 352 R HN 0.538 nan 8.270 nan 0.000 0.440 353 A N -0.458 122.439 122.820 0.129 0.000 2.119 353 A HA 0.120 4.450 4.320 0.016 0.000 0.217 353 A C 1.487 179.140 177.584 0.114 0.000 1.153 353 A CA 1.095 53.210 52.037 0.129 0.000 0.692 353 A CB -0.282 18.756 19.000 0.065 0.000 0.799 353 A HN 0.630 nan 8.150 nan 0.000 0.458 354 G N -0.980 107.821 108.800 0.002 0.000 2.144 354 G HA2 -0.155 3.814 3.960 0.016 0.000 0.218 354 G HA3 -0.155 3.814 3.960 0.016 0.000 0.218 354 G C -0.501 174.251 174.900 -0.246 0.000 0.988 354 G CA 0.115 44.975 45.100 -0.401 0.000 0.659 354 G HN 0.464 nan 8.290 nan 0.000 0.522 355 D N 1.310 121.654 120.400 -0.093 0.000 2.175 355 D HA 0.484 5.133 4.640 0.016 0.000 0.248 355 D C -2.353 173.935 176.300 -0.019 0.000 1.047 355 D CA -1.312 52.656 54.000 -0.054 0.000 0.883 355 D CB 1.551 42.340 40.800 -0.017 0.000 1.180 355 D HN 0.045 nan 8.370 nan 0.000 0.438 356 P HA 0.137 nan 4.420 nan 0.000 0.268 356 P C -0.328 177.009 177.300 0.061 0.000 1.205 356 P CA -0.032 63.084 63.100 0.026 0.000 0.771 356 P CB 0.453 32.145 31.700 -0.014 0.000 0.858 357 I N -1.296 119.345 120.570 0.119 0.000 2.846 357 I HA 0.711 4.890 4.170 0.016 0.000 0.307 357 I C -0.769 175.418 176.117 0.115 0.000 1.053 357 I CA -0.687 60.687 61.300 0.124 0.000 1.050 357 I CB 2.552 40.648 38.000 0.160 0.000 1.239 357 I HN 0.045 nan 8.210 nan 0.000 0.439 358 T N 3.520 118.126 114.554 0.087 0.000 2.848 358 T HA 0.510 4.870 4.350 0.016 0.000 0.285 358 T C -0.548 174.133 174.700 -0.031 0.000 0.995 358 T CA -0.465 61.652 62.100 0.029 0.000 0.970 358 T CB 1.953 70.886 68.868 0.109 0.000 0.976 358 T HN 0.428 nan 8.240 nan 0.000 0.441 359 V N 4.899 124.728 119.914 -0.142 0.000 2.328 359 V HA 0.342 4.471 4.120 0.016 0.000 0.278 359 V C 0.259 176.263 176.094 -0.150 0.000 1.021 359 V CA -1.028 61.231 62.300 -0.069 0.000 0.838 359 V CB 0.906 32.752 31.823 0.037 0.000 0.999 359 V HN 0.661 nan 8.190 nan 0.000 0.447 360 K N 3.363 123.699 120.400 -0.105 0.000 2.326 360 K HA 0.234 4.564 4.320 0.016 0.000 0.275 360 K C 0.642 177.143 176.600 -0.165 0.000 1.018 360 K CA 0.055 56.260 56.287 -0.138 0.000 0.962 360 K CB 0.167 32.597 32.500 -0.116 0.000 0.953 360 K HN 0.807 nan 8.250 nan 0.000 0.475 361 N N 0.542 119.126 118.700 -0.193 0.000 2.738 361 N HA -0.260 4.490 4.740 0.016 0.000 0.249 361 N C 0.429 175.903 175.510 -0.059 0.000 1.047 361 N CA 0.405 53.340 53.050 -0.192 0.000 0.707 361 N CB -0.790 37.373 38.487 -0.539 0.000 0.937 361 N HN 0.735 nan 8.380 nan 0.000 0.545 362 A N -0.704 122.036 122.820 -0.133 0.000 1.968 362 A HA 0.174 4.504 4.320 0.016 0.000 0.217 362 A C 0.900 178.410 177.584 -0.122 0.000 1.169 362 A CA 1.129 53.062 52.037 -0.174 0.000 0.638 362 A CB 0.625 19.348 19.000 -0.462 0.000 0.812 362 A HN 0.177 nan 8.150 nan 0.000 0.446 363 V N -0.925 118.923 119.914 -0.109 0.000 2.604 363 V HA 0.400 4.530 4.120 0.016 0.000 0.305 363 V C -0.489 175.649 176.094 0.074 0.000 1.043 363 V CA -0.952 61.337 62.300 -0.017 0.000 0.888 363 V CB 1.250 33.021 31.823 -0.086 0.000 0.995 363 V HN 0.391 nan 8.190 nan 0.000 0.429 364 C N 6.722 126.046 119.300 0.040 0.000 2.351 364 C HA 0.805 5.275 4.460 0.016 0.000 0.326 364 C C -0.474 174.496 174.990 -0.035 0.000 1.272 364 C CA -0.393 58.565 59.018 -0.100 0.000 1.650 364 C CB -0.626 27.053 27.740 -0.102 0.000 2.257 364 C HN 0.809 nan 8.230 nan 0.000 0.505 365 I N 8.033 128.547 120.570 -0.092 0.000 2.447 365 I HA 0.540 4.719 4.170 0.016 0.000 0.287 365 I C -0.456 175.662 176.117 0.003 0.000 1.023 365 I CA -0.016 61.230 61.300 -0.091 0.000 1.083 365 I CB 1.358 39.206 38.000 -0.255 0.000 1.245 365 I HN 0.868 nan 8.210 nan 0.000 0.434 366 H N 4.490 123.423 119.070 -0.228 0.000 3.014 366 H HA 0.504 5.070 4.556 0.016 0.000 0.337 366 H C -1.813 173.456 175.328 -0.097 0.000 1.320 366 H CA -1.296 54.717 56.048 -0.059 0.000 1.128 366 H CB 1.178 30.944 29.762 0.006 0.000 1.862 366 H HN 0.598 nan 8.280 nan 0.000 0.536 367 E N 1.128 121.351 120.200 0.039 0.000 2.207 367 E HA 0.630 4.990 4.350 0.016 0.000 0.270 367 E C -1.029 175.532 176.600 -0.065 0.000 0.927 367 E CA -0.921 55.428 56.400 -0.085 0.000 0.799 367 E CB 2.583 32.374 29.700 0.153 0.000 1.172 367 E HN 0.648 nan 8.360 nan 0.000 0.404 368 E N 1.521 121.664 120.200 -0.095 0.000 2.383 368 E HA 0.153 4.513 4.350 0.016 0.000 0.275 368 E C -1.568 175.037 176.600 0.007 0.000 0.918 368 E CA -0.946 55.421 56.400 -0.054 0.000 0.764 368 E CB 2.154 31.768 29.700 -0.144 0.000 1.252 368 E HN 0.619 nan 8.360 nan 0.000 0.449 369 D N 0.572 120.985 120.400 0.021 0.000 2.443 369 D HA -0.029 4.620 4.640 0.016 0.000 0.239 369 D C -0.382 175.920 176.300 0.004 0.000 1.136 369 D CA 0.608 54.623 54.000 0.025 0.000 0.879 369 D CB 0.577 41.387 40.800 0.017 0.000 1.195 369 D HN 0.314 nan 8.370 nan 0.000 0.443 370 D N 2.215 122.623 120.400 0.013 0.000 2.819 370 D HA 0.305 4.955 4.640 0.016 0.000 0.326 370 D C 0.450 176.747 176.300 -0.006 0.000 1.408 370 D CA 0.559 54.559 54.000 -0.000 0.000 0.811 370 D CB -0.077 40.734 40.800 0.019 0.000 1.148 370 D HN 0.672 nan 8.370 nan 0.000 0.457 371 G N 0.311 109.104 108.800 -0.012 0.000 2.562 371 G HA2 -0.261 3.708 3.960 0.016 0.000 0.250 371 G HA3 -0.261 3.708 3.960 0.016 0.000 0.250 371 G C -0.336 174.546 174.900 -0.030 0.000 1.269 371 G CA -0.254 44.834 45.100 -0.019 0.000 0.919 371 G HN 0.297 nan 8.290 nan 0.000 0.574 372 L N 0.495 121.698 121.223 -0.034 0.000 2.380 372 L HA 0.365 4.714 4.340 0.016 0.000 0.273 372 L C 1.738 178.563 176.870 -0.075 0.000 1.138 372 L CA -0.659 54.145 54.840 -0.059 0.000 0.832 372 L CB 1.151 43.190 42.059 -0.034 0.000 1.124 372 L HN 0.582 nan 8.230 nan 0.000 0.454 373 L N 4.254 125.364 121.223 -0.189 0.000 2.145 373 L HA 0.257 4.606 4.340 0.016 0.000 0.201 373 L C -0.064 176.732 176.870 -0.124 0.000 1.075 373 L CA 1.330 56.033 54.840 -0.228 0.000 0.773 373 L CB 0.204 41.981 42.059 -0.470 0.000 0.936 373 L HN 0.571 nan 8.230 nan 0.000 0.451 374 F N -2.793 117.178 119.950 0.035 0.000 2.770 374 F HA 0.563 5.100 4.527 0.016 0.000 0.313 374 F C -0.753 175.076 175.800 0.049 0.000 1.154 374 F CA -1.425 56.597 58.000 0.037 0.000 0.923 374 F CB 0.862 39.880 39.000 0.031 0.000 1.301 374 F HN -0.235 nan 8.300 nan 0.000 0.449 375 K N 0.946 121.547 120.400 0.335 0.000 2.557 375 K HA 0.568 4.897 4.320 0.016 0.000 0.261 375 K C -2.521 174.240 176.600 0.267 0.000 0.932 375 K CA -0.809 55.622 56.287 0.241 0.000 0.829 375 K CB 2.268 34.836 32.500 0.115 0.000 1.358 375 K HN 1.047 nan 8.250 nan 0.000 0.430 376 H N 0.266 119.411 119.070 0.125 0.000 3.029 376 H HA 0.513 5.078 4.556 0.016 0.000 0.358 376 H C -1.866 173.527 175.328 0.108 0.000 1.129 376 H CA -0.244 55.861 56.048 0.094 0.000 1.230 376 H CB 1.965 31.775 29.762 0.080 0.000 1.827 376 H HN 0.530 nan 8.280 nan 0.000 0.530 377 S N 3.047 118.408 115.700 -0.565 0.000 2.568 377 S HA 0.251 4.731 4.470 0.016 0.000 0.293 377 S C -1.257 173.156 174.600 -0.312 0.000 1.089 377 S CA -0.944 57.093 58.200 -0.272 0.000 0.945 377 S CB 1.677 64.876 63.200 -0.001 0.000 1.077 377 S HN 0.673 nan 8.310 nan 0.000 0.485 378 D N 1.358 121.737 120.400 -0.035 0.000 2.274 378 D HA 0.257 4.907 4.640 0.016 0.000 0.239 378 D C 0.850 177.098 176.300 -0.087 0.000 1.104 378 D CA -0.921 53.037 54.000 -0.069 0.000 0.840 378 D CB 0.578 41.301 40.800 -0.129 0.000 1.100 378 D HN 0.464 nan 8.370 nan 0.000 0.477 379 F N 3.358 123.285 119.950 -0.039 0.000 2.333 379 F HA -0.011 4.526 4.527 0.016 0.000 0.300 379 F C 1.761 177.357 175.800 -0.340 0.000 1.083 379 F CA 0.463 58.219 58.000 -0.406 0.000 1.395 379 F CB -0.257 38.649 39.000 -0.158 0.000 1.056 379 F HN 0.204 nan 8.300 nan 0.000 0.529 380 R N 0.863 120.903 120.500 -0.766 0.000 2.152 380 R HA -0.110 4.239 4.340 0.016 0.000 0.232 380 R C 0.439 176.595 176.300 -0.241 0.000 1.117 380 R CA 1.438 57.236 56.100 -0.505 0.000 0.981 380 R CB -0.565 29.405 30.300 -0.549 0.000 0.870 380 R HN 0.528 nan 8.270 nan 0.000 0.451 381 D N -1.641 118.621 120.400 -0.231 0.000 2.772 381 D HA 0.010 4.659 4.640 0.016 0.000 0.272 381 D C -0.468 175.735 176.300 -0.161 0.000 1.314 381 D CA -0.491 53.422 54.000 -0.145 0.000 0.835 381 D CB -0.740 40.005 40.800 -0.092 0.000 1.080 381 D HN 0.076 nan 8.370 nan 0.000 0.482 382 N N 0.828 119.350 118.700 -0.296 0.000 2.725 382 N HA -0.280 4.469 4.740 0.016 0.000 0.249 382 N C -0.700 174.640 175.510 -0.283 0.000 1.103 382 N CA 0.455 53.264 53.050 -0.403 0.000 0.707 382 N CB -0.795 37.599 38.487 -0.155 0.000 1.043 382 N HN 0.236 nan 8.380 nan 0.000 0.553 383 F N -4.731 115.224 119.950 0.008 0.000 2.746 383 F HA -0.299 4.238 4.527 0.016 0.000 0.315 383 F C 1.613 177.421 175.800 0.013 0.000 0.666 383 F CA 0.789 58.787 58.000 -0.005 0.000 1.381 383 F CB -2.174 36.828 39.000 0.002 0.000 1.739 383 F HN 0.256 nan 8.300 nan 0.000 0.322 384 A N -1.032 121.860 122.820 0.120 0.000 1.930 384 A HA -0.011 4.318 4.320 0.016 0.000 0.217 384 A C 1.434 179.091 177.584 0.122 0.000 1.175 384 A CA 1.903 54.008 52.037 0.115 0.000 0.627 384 A CB -0.469 18.565 19.000 0.058 0.000 0.815 384 A HN 0.347 nan 8.150 nan 0.000 0.443 385 T N 0.977 115.574 114.554 0.072 0.000 2.752 385 T HA 0.444 4.803 4.350 0.016 0.000 0.295 385 T C -0.247 174.507 174.700 0.091 0.000 0.923 385 T CA 0.548 62.682 62.100 0.055 0.000 1.112 385 T CB 0.344 69.215 68.868 0.006 0.000 0.884 385 T HN 0.292 nan 8.240 nan 0.000 0.525 386 S N 3.359 119.128 115.700 0.116 0.000 2.535 386 S HA 0.675 5.154 4.470 0.016 0.000 0.272 386 S C -1.768 172.921 174.600 0.149 0.000 1.149 386 S CA -0.884 57.406 58.200 0.150 0.000 0.888 386 S CB 1.053 64.394 63.200 0.235 0.000 1.110 386 S HN 0.678 nan 8.310 nan 0.000 0.463 387 L N 4.457 125.775 121.223 0.159 0.000 2.410 387 L HA 0.913 5.262 4.340 0.016 0.000 0.270 387 L C -1.764 175.231 176.870 0.208 0.000 0.983 387 L CA -0.518 54.422 54.840 0.166 0.000 0.822 387 L CB 1.818 43.970 42.059 0.154 0.000 1.285 387 L HN 0.547 nan 8.230 nan 0.000 0.409 388 V N 2.412 122.442 119.914 0.193 0.000 2.686 388 V HA 0.617 4.746 4.120 0.016 0.000 0.306 388 V C -0.539 175.580 176.094 0.042 0.000 1.065 388 V CA -0.446 61.930 62.300 0.128 0.000 0.894 388 V CB 2.025 33.914 31.823 0.110 0.000 1.004 388 V HN 0.783 nan 8.190 nan 0.000 0.424 389 T N 4.230 118.703 114.554 -0.136 0.000 2.841 389 T HA 0.486 4.846 4.350 0.016 0.000 0.285 389 T C -0.193 174.317 174.700 -0.318 0.000 0.991 389 T CA -0.671 61.256 62.100 -0.288 0.000 0.966 389 T CB 1.328 69.855 68.868 -0.568 0.000 0.962 389 T HN 0.558 nan 8.240 nan 0.000 0.438 390 R N 1.462 121.862 120.500 -0.166 0.000 2.539 390 R HA 0.666 5.016 4.340 0.016 0.000 0.275 390 R C 0.164 176.396 176.300 -0.113 0.000 1.077 390 R CA -0.547 55.484 56.100 -0.115 0.000 1.097 390 R CB 0.805 31.077 30.300 -0.047 0.000 1.018 390 R HN 0.694 nan 8.270 nan 0.000 0.483 391 A N 1.704 124.484 122.820 -0.068 0.000 2.304 391 A HA 0.433 4.763 4.320 0.016 0.000 0.301 391 A C -0.334 177.291 177.584 0.069 0.000 1.132 391 A CA -0.316 51.718 52.037 -0.005 0.000 0.819 391 A CB 1.042 20.049 19.000 0.011 0.000 1.094 391 A HN 0.618 nan 8.150 nan 0.000 0.492 392 T N 2.157 116.809 114.554 0.163 0.000 2.856 392 T HA 0.559 4.918 4.350 0.016 0.000 0.283 392 T C -0.330 174.608 174.700 0.396 0.000 1.008 392 T CA -0.674 61.584 62.100 0.263 0.000 0.997 392 T CB 1.287 70.369 68.868 0.357 0.000 0.992 392 T HN 0.768 nan 8.240 nan 0.000 0.454 393 K N 1.522 122.042 120.400 0.200 0.000 2.328 393 K HA 0.791 5.121 4.320 0.016 0.000 0.246 393 K C -1.397 174.988 176.600 -0.358 0.000 0.955 393 K CA -1.118 55.194 56.287 0.042 0.000 0.817 393 K CB 1.753 34.242 32.500 -0.019 0.000 1.208 393 K HN 0.362 nan 8.250 nan 0.000 0.432 394 L N 2.107 122.849 121.223 -0.801 0.000 2.296 394 L HA 0.429 4.778 4.340 0.016 0.000 0.286 394 L C -1.492 175.137 176.870 -0.402 0.000 1.023 394 L CA -0.495 53.786 54.840 -0.931 0.000 0.812 394 L CB 1.852 42.932 42.059 -1.633 0.000 1.223 394 L HN 0.572 nan 8.230 nan 0.000 0.421 395 V N 5.710 125.420 119.914 -0.340 0.000 2.487 395 V HA 0.540 4.669 4.120 0.016 0.000 0.298 395 V C -0.617 175.490 176.094 0.023 0.000 1.028 395 V CA -0.686 61.553 62.300 -0.102 0.000 0.860 395 V CB 1.912 33.645 31.823 -0.151 0.000 0.991 395 V HN 0.495 nan 8.190 nan 0.000 0.427 396 V N 3.782 123.795 119.914 0.164 0.000 2.378 396 V HA 0.684 4.813 4.120 0.016 0.000 0.288 396 V C -0.019 176.245 176.094 0.283 0.000 1.016 396 V CA -0.122 62.292 62.300 0.189 0.000 0.840 396 V CB 1.572 33.522 31.823 0.211 0.000 0.994 396 V HN 0.885 nan 8.190 nan 0.000 0.431 397 S N 4.332 120.149 115.700 0.196 0.000 2.569 397 S HA 0.842 5.321 4.470 0.016 0.000 0.280 397 S C -1.063 173.586 174.600 0.082 0.000 1.111 397 S CA -0.582 57.672 58.200 0.090 0.000 0.887 397 S CB 2.135 65.353 63.200 0.030 0.000 1.095 397 S HN 0.917 nan 8.310 nan 0.000 0.476 398 Q N 2.156 121.977 119.800 0.035 0.000 2.501 398 Q HA 0.751 5.100 4.340 0.016 0.000 0.288 398 Q C -1.610 174.412 176.000 0.036 0.000 1.051 398 Q CA -1.034 54.841 55.803 0.120 0.000 0.788 398 Q CB 1.507 30.440 28.738 0.324 0.000 1.469 398 Q HN 0.635 nan 8.270 nan 0.000 0.416 399 I N 2.056 122.690 120.570 0.106 0.000 2.499 399 I HA 0.519 4.699 4.170 0.016 0.000 0.288 399 I C -1.109 175.132 176.117 0.207 0.000 1.048 399 I CA -0.938 60.399 61.300 0.061 0.000 1.062 399 I CB 1.545 39.548 38.000 0.004 0.000 1.238 399 I HN 0.698 nan 8.210 nan 0.000 0.426 400 F N 2.865 122.897 119.950 0.138 0.000 2.561 400 F HA 0.809 5.345 4.527 0.016 0.000 0.321 400 F C -0.647 175.249 175.800 0.160 0.000 1.065 400 F CA -0.613 57.482 58.000 0.159 0.000 0.934 400 F CB 1.763 40.864 39.000 0.168 0.000 1.215 400 F HN 0.165 nan 8.300 nan 0.000 0.471 401 T N 2.529 117.279 114.554 0.326 0.000 2.786 401 T HA 0.675 5.034 4.350 0.016 0.000 0.283 401 T C -0.557 174.279 174.700 0.226 0.000 0.992 401 T CA -0.508 61.690 62.100 0.163 0.000 0.954 401 T CB 1.244 70.173 68.868 0.101 0.000 0.934 401 T HN 0.901 nan 8.240 nan 0.000 0.440 402 A N 2.847 125.769 122.820 0.170 0.000 2.654 402 A HA 0.774 5.103 4.320 0.016 0.000 0.345 402 A C 1.153 178.662 177.584 -0.126 0.000 1.368 402 A CA 0.074 52.121 52.037 0.017 0.000 0.895 402 A CB -0.827 18.261 19.000 0.148 0.000 1.143 402 A HN 1.493 nan 8.150 nan 0.000 0.490 403 A N 2.239 124.987 122.820 -0.119 0.000 4.974 403 A HA -0.312 4.018 4.320 0.016 0.000 0.339 403 A C 1.028 178.629 177.584 0.028 0.000 1.785 403 A CA 1.730 53.754 52.037 -0.022 0.000 0.707 403 A CB -2.077 16.906 19.000 -0.029 0.000 1.430 403 A HN 1.518 nan 8.150 nan 0.000 0.398 407 Y N 1.251 121.232 120.300 -0.533 0.000 2.328 407 Y HA 0.448 5.008 4.550 0.016 0.000 0.333 407 Y C -0.353 175.309 175.900 -0.396 0.000 0.958 407 Y CA -0.794 56.995 58.100 -0.519 0.000 1.167 407 Y CB 1.182 39.116 38.460 -0.877 0.000 1.151 407 Y HN 0.466 nan 8.280 nan 0.000 0.470 408 C N 5.662 124.879 119.300 -0.139 0.000 2.273 408 C HA 0.618 5.087 4.460 0.016 0.000 0.328 408 C C -0.046 174.751 174.990 -0.322 0.000 1.275 408 C CA -1.198 57.692 59.018 -0.213 0.000 1.704 408 C CB -0.963 26.730 27.740 -0.077 0.000 2.326 408 C HN 0.649 nan 8.230 nan 0.000 0.517 409 L N 3.722 124.674 121.223 -0.451 0.000 2.313 409 L HA 0.523 4.873 4.340 0.016 0.000 0.283 409 L C -1.107 175.404 176.870 -0.598 0.000 1.013 409 L CA -0.451 54.165 54.840 -0.373 0.000 0.816 409 L CB 0.876 42.882 42.059 -0.087 0.000 1.236 409 L HN 0.628 nan 8.230 nan 0.000 0.419 410 Y N 0.789 120.938 120.300 -0.251 0.000 2.332 410 Y HA 0.315 4.874 4.550 0.016 0.000 0.326 410 Y C -0.852 174.842 175.900 -0.343 0.000 0.978 410 Y CA -0.644 57.352 58.100 -0.173 0.000 1.205 410 Y CB 1.232 39.619 38.460 -0.123 0.000 1.131 410 Y HN 0.461 nan 8.280 nan 0.000 0.462 411 W N 3.692 125.020 121.300 0.047 0.000 2.331 411 W HA 0.638 5.307 4.660 0.015 0.000 0.306 411 W C -0.963 175.509 176.519 -0.078 0.000 1.162 411 W CA -0.760 56.545 57.345 -0.065 0.000 1.232 411 W CB 1.155 30.586 29.460 -0.049 0.000 1.235 411 W HN 0.130 nan 8.180 nan 0.000 0.479 412 V N 5.275 125.153 119.914 -0.061 0.000 2.444 412 V HA 0.408 4.538 4.120 0.016 0.000 0.294 412 V C -0.575 175.360 176.094 -0.266 0.000 1.022 412 V CA -1.156 61.085 62.300 -0.098 0.000 0.850 412 V CB 0.557 32.316 31.823 -0.107 0.000 0.992 412 V HN 0.265 nan 8.190 nan 0.000 0.426 413 F N 4.704 124.520 119.950 -0.223 0.000 2.421 413 F HA 0.712 5.249 4.527 0.016 0.000 0.337 413 F C 0.381 176.264 175.800 0.140 0.000 1.105 413 F CA -0.444 57.434 58.000 -0.202 0.000 1.049 413 F CB 1.674 40.424 39.000 -0.416 0.000 1.139 413 F HN 0.280 nan 8.300 nan 0.000 0.479 414 M N 2.056 121.966 119.600 0.516 0.000 2.662 414 M HA 0.309 4.799 4.480 0.016 0.000 0.310 414 M C 0.551 177.252 176.300 0.668 0.000 1.204 414 M CA -0.583 55.038 55.300 0.536 0.000 0.891 414 M CB 2.169 34.935 32.600 0.277 0.000 1.732 414 M HN 0.595 nan 8.290 nan 0.000 0.467 415 Q N 0.719 120.792 119.800 0.456 0.000 2.472 415 Q HA -0.103 4.246 4.340 0.016 0.000 0.208 415 Q C 0.502 176.608 176.000 0.177 0.000 0.958 415 Q CA 0.715 56.676 55.803 0.262 0.000 0.932 415 Q CB 0.061 28.878 28.738 0.132 0.000 1.007 415 Q HN 0.675 nan 8.270 nan 0.000 0.508 416 D N -1.139 119.373 120.400 0.187 0.000 2.340 416 D HA 0.014 4.663 4.640 0.016 0.000 0.220 416 D C 1.135 177.461 176.300 0.044 0.000 1.039 416 D CA 0.780 54.831 54.000 0.085 0.000 0.866 416 D CB 0.136 40.996 40.800 0.100 0.000 0.913 416 D HN 0.234 nan 8.370 nan 0.000 0.523 417 G N -0.370 108.550 108.800 0.201 0.000 2.176 417 G HA2 -0.169 3.800 3.960 0.016 0.000 0.253 417 G HA3 -0.169 3.800 3.960 0.016 0.000 0.253 417 G C 0.497 175.719 174.900 0.537 0.000 0.979 417 G CA 0.185 45.452 45.100 0.279 0.000 0.641 417 G HN 0.826 nan 8.290 nan 0.000 0.530 418 A N -0.231 122.810 122.820 0.368 0.000 2.322 418 A HA 0.787 5.116 4.320 0.016 0.000 0.269 418 A C 0.213 177.917 177.584 0.200 0.000 1.094 418 A CA 0.021 52.216 52.037 0.263 0.000 0.807 418 A CB 0.500 19.573 19.000 0.121 0.000 1.047 418 A HN 0.821 nan 8.150 nan 0.000 0.487 419 I N 0.946 121.557 120.570 0.069 0.000 2.465 419 I HA 0.500 4.679 4.170 0.016 0.000 0.291 419 I C 0.174 176.191 176.117 -0.166 0.000 1.014 419 I CA -0.390 60.764 61.300 -0.243 0.000 1.093 419 I CB 1.921 39.694 38.000 -0.378 0.000 1.267 419 I HN 0.802 nan 8.210 nan 0.000 0.431 420 R N 5.078 125.441 120.500 -0.229 0.000 2.740 420 R HA 0.712 5.061 4.340 0.016 0.000 0.282 420 R C -1.907 174.231 176.300 -0.270 0.000 0.969 420 R CA -0.799 55.183 56.100 -0.197 0.000 0.918 420 R CB 2.050 32.261 30.300 -0.148 0.000 1.175 420 R HN 0.514 nan 8.270 nan 0.000 0.464 421 L N 3.241 124.254 121.223 -0.350 0.000 2.325 421 L HA 0.483 4.833 4.340 0.016 0.000 0.281 421 L C -1.572 175.068 176.870 -0.384 0.000 1.004 421 L CA -0.225 54.296 54.840 -0.533 0.000 0.823 421 L CB 1.687 43.276 42.059 -0.784 0.000 1.236 421 L HN 0.608 nan 8.230 nan 0.000 0.415 422 D N 6.070 126.301 120.400 -0.283 0.000 2.256 422 D HA 0.541 5.190 4.640 0.016 0.000 0.246 422 D C -0.482 175.782 176.300 -0.059 0.000 1.042 422 D CA 0.170 54.082 54.000 -0.147 0.000 0.841 422 D CB 2.302 43.032 40.800 -0.116 0.000 1.223 422 D HN 0.438 nan 8.370 nan 0.000 0.470 423 I N 1.488 122.018 120.570 -0.067 0.000 2.608 423 I HA 0.387 4.566 4.170 0.016 0.000 0.295 423 I C 0.035 176.156 176.117 0.006 0.000 1.049 423 I CA -0.795 60.477 61.300 -0.047 0.000 1.063 423 I CB 2.096 39.974 38.000 -0.205 0.000 1.248 423 I HN -0.054 nan 8.210 nan 0.000 0.424 424 R N 6.122 126.656 120.500 0.056 0.000 2.480 424 R HA 0.624 4.974 4.340 0.016 0.000 0.306 424 R C -1.344 174.902 176.300 -0.089 0.000 0.958 424 R CA -0.844 55.255 56.100 -0.002 0.000 0.861 424 R CB 2.154 32.490 30.300 0.060 0.000 1.171 424 R HN 0.483 nan 8.270 nan 0.000 0.445 425 L N 2.264 123.388 121.223 -0.164 0.000 2.275 425 L HA 0.462 4.811 4.340 0.016 0.000 0.288 425 L C 0.577 177.290 176.870 -0.261 0.000 1.046 425 L CA -0.181 54.471 54.840 -0.313 0.000 0.805 425 L CB 1.598 43.422 42.059 -0.392 0.000 1.193 425 L HN 0.683 nan 8.230 nan 0.000 0.426 426 T N 1.141 115.518 114.554 -0.295 0.000 2.572 426 T HA 0.835 5.195 4.350 0.016 0.000 0.274 426 T C 0.013 174.563 174.700 -0.249 0.000 0.949 426 T CA 0.405 62.370 62.100 -0.225 0.000 1.126 426 T CB 1.485 70.245 68.868 -0.180 0.000 1.478 426 T HN 0.965 nan 8.240 nan 0.000 0.492 427 G N 0.309 108.969 108.800 -0.233 0.000 2.466 427 G HA2 -0.033 3.936 3.960 0.016 0.000 0.218 427 G HA3 -0.033 3.936 3.960 0.016 0.000 0.218 427 G C -1.033 173.723 174.900 -0.239 0.000 1.237 427 G CA -0.164 44.793 45.100 -0.239 0.000 0.954 427 G HN 0.937 nan 8.290 nan 0.000 0.580 428 I N 0.713 121.133 120.570 -0.249 0.000 2.608 428 I HA 0.440 4.620 4.170 0.016 0.000 0.295 428 I C 0.625 176.626 176.117 -0.192 0.000 1.049 428 I CA -0.924 60.214 61.300 -0.270 0.000 1.063 428 I CB 1.882 39.592 38.000 -0.483 0.000 1.248 428 I HN 0.520 nan 8.210 nan 0.000 0.424 429 L N 4.798 126.016 121.223 -0.009 0.000 2.525 429 L HA 0.027 4.376 4.340 0.016 0.000 0.278 429 L C 0.892 177.762 176.870 -0.000 0.000 1.218 429 L CA 0.246 55.125 54.840 0.066 0.000 0.878 429 L CB -0.094 42.072 42.059 0.179 0.000 1.127 429 L HN 0.662 nan 8.230 nan 0.000 0.492 430 N N 2.083 120.817 118.700 0.056 0.000 2.497 430 N HA 0.072 4.822 4.740 0.016 0.000 0.268 430 N C -0.700 174.881 175.510 0.119 0.000 1.171 430 N CA -0.134 52.992 53.050 0.127 0.000 0.948 430 N CB 0.891 39.449 38.487 0.118 0.000 1.069 430 N HN 0.701 nan 8.380 nan 0.000 0.460 431 T N 0.776 115.477 114.554 0.245 0.000 2.907 431 T HA 0.435 4.795 4.350 0.016 0.000 0.292 431 T C -1.027 173.745 174.700 0.120 0.000 1.043 431 T CA -0.743 61.438 62.100 0.134 0.000 1.003 431 T CB 1.615 70.613 68.868 0.217 0.000 1.084 431 T HN 0.506 nan 8.240 nan 0.000 0.483 432 Y N 0.972 121.133 120.300 -0.231 0.000 2.605 432 Y HA 0.687 5.247 4.550 0.016 0.000 0.343 432 Y C -0.582 175.226 175.900 -0.154 0.000 1.036 432 Y CA -2.111 55.844 58.100 -0.241 0.000 1.065 432 Y CB 1.524 39.753 38.460 -0.385 0.000 1.288 432 Y HN 0.992 nan 8.280 nan 0.000 0.481 433 I N 4.183 124.140 120.570 -1.022 0.000 2.696 433 I HA 0.284 4.463 4.170 0.016 0.000 0.284 433 I C -1.357 174.520 176.117 -0.399 0.000 1.129 433 I CA -0.348 60.579 61.300 -0.622 0.000 1.410 433 I CB 0.578 38.218 38.000 -0.600 0.000 1.399 433 I HN 0.600 nan 8.210 nan 0.000 0.579 434 L N 7.178 128.281 121.223 -0.200 0.000 2.381 434 L HA 0.629 4.979 4.340 0.016 0.000 0.274 434 L C 0.058 176.888 176.870 -0.066 0.000 0.988 434 L CA -0.103 54.688 54.840 -0.083 0.000 0.824 434 L CB 1.479 43.502 42.059 -0.061 0.000 1.263 434 L HN 0.644 nan 8.230 nan 0.000 0.410 435 G N 2.359 111.144 108.800 -0.026 0.000 2.594 435 G HA2 0.100 4.070 3.960 0.016 0.000 0.243 435 G HA3 0.100 4.070 3.960 0.016 0.000 0.243 435 G C 0.340 175.233 174.900 -0.011 0.000 1.229 435 G CA -0.187 44.904 45.100 -0.015 0.000 0.843 435 G HN 0.785 nan 8.290 nan 0.000 0.578 436 D N 0.105 120.501 120.400 -0.006 0.000 2.133 436 D HA -0.101 4.548 4.640 0.016 0.000 0.195 436 D C 1.383 177.681 176.300 -0.003 0.000 0.997 436 D CA 1.375 55.375 54.000 -0.000 0.000 0.840 436 D CB 0.210 41.014 40.800 0.006 0.000 0.947 436 D HN 0.427 nan 8.370 nan 0.000 0.452 437 D N 0.127 120.528 120.400 0.001 0.000 2.363 437 D HA 0.012 4.661 4.640 0.016 0.000 0.214 437 D C 0.287 176.591 176.300 0.008 0.000 1.093 437 D CA -0.064 53.938 54.000 0.003 0.000 0.837 437 D CB 0.477 41.279 40.800 0.004 0.000 0.948 437 D HN 0.315 nan 8.370 nan 0.000 0.507 438 E N 1.671 121.878 120.200 0.013 0.000 2.283 438 E HA 0.106 4.465 4.350 0.016 0.000 0.278 438 E C -0.396 176.217 176.600 0.021 0.000 1.027 438 E CA -0.459 55.958 56.400 0.028 0.000 0.843 438 E CB 1.075 30.802 29.700 0.046 0.000 1.062 438 E HN -0.183 nan 8.360 nan 0.000 0.401 439 E N 3.034 123.249 120.200 0.025 0.000 2.259 439 E HA 0.249 4.608 4.350 0.016 0.000 0.281 439 E C -0.183 176.438 176.600 0.034 0.000 1.027 439 E CA 0.144 56.551 56.400 0.011 0.000 0.838 439 E CB 1.508 31.203 29.700 -0.010 0.000 1.066 439 E HN 0.529 nan 8.360 nan 0.000 0.401 440 A N 4.027 126.864 122.820 0.029 0.000 1.935 440 A HA 0.228 4.557 4.320 0.016 0.000 0.214 440 A C 1.286 178.900 177.584 0.050 0.000 1.178 440 A CA 0.838 52.919 52.037 0.073 0.000 0.640 440 A CB -0.741 18.294 19.000 0.058 0.000 0.825 440 A HN 0.639 nan 8.150 nan 0.000 0.447 441 G N -0.461 108.319 108.800 -0.032 0.000 2.606 441 G HA2 0.393 4.363 3.960 0.016 0.000 0.252 441 G HA3 0.393 4.363 3.960 0.016 0.000 0.252 441 G C -1.238 173.472 174.900 -0.316 0.000 1.206 441 G CA -0.363 44.658 45.100 -0.133 0.000 0.861 441 G HN 0.202 nan 8.290 nan 0.000 0.561 442 P HA 0.066 nan 4.420 nan 0.000 0.249 442 P C 0.442 177.516 177.300 -0.377 0.000 1.229 442 P CA 0.446 63.183 63.100 -0.604 0.000 0.788 442 P CB 0.151 31.319 31.700 -0.888 0.000 1.072 443 W N 0.411 121.768 121.300 0.095 0.000 3.197 443 W HA 0.430 5.100 4.660 0.016 0.000 0.274 443 W C 0.989 177.617 176.519 0.181 0.000 1.297 443 W CA -0.158 57.252 57.345 0.110 0.000 1.662 443 W CB 0.451 29.931 29.460 0.033 0.000 1.106 443 W HN -0.026 nan 8.180 nan 0.000 0.663 444 G N -0.520 108.478 108.800 0.329 0.000 2.606 444 G HA2 0.522 4.491 3.960 0.016 0.000 0.300 444 G HA3 0.522 4.491 3.960 0.016 0.000 0.300 444 G C -1.454 173.544 174.900 0.163 0.000 1.360 444 G CA -0.599 44.682 45.100 0.302 0.000 0.783 444 G HN -0.301 nan 8.290 nan 0.000 0.484 445 T N 0.063 114.685 114.554 0.114 0.000 2.861 445 T HA 0.469 4.829 4.350 0.016 0.000 0.287 445 T C -0.057 174.642 174.700 -0.002 0.000 1.003 445 T CA -0.616 61.517 62.100 0.054 0.000 0.977 445 T CB 1.887 70.794 68.868 0.065 0.000 0.996 445 T HN 0.553 nan 8.240 nan 0.000 0.448 446 R N 2.837 123.326 120.500 -0.019 0.000 2.351 446 R HA 0.269 4.619 4.340 0.016 0.000 0.321 446 R C 1.125 177.382 176.300 -0.072 0.000 1.182 446 R CA -0.185 55.878 56.100 -0.061 0.000 1.011 446 R CB -0.234 30.032 30.300 -0.057 0.000 1.048 446 R HN 0.578 nan 8.270 nan 0.000 0.490 447 V N 2.287 122.120 119.914 -0.135 0.000 3.608 447 V HA 0.245 4.375 4.120 0.016 0.000 0.269 447 V C -0.183 175.887 176.094 -0.041 0.000 1.245 447 V CA 0.143 62.367 62.300 -0.127 0.000 1.138 447 V CB -0.854 30.820 31.823 -0.248 0.000 0.841 447 V HN 0.681 nan 8.190 nan 0.000 0.451 448 Y N -0.692 119.455 120.300 -0.256 0.000 2.620 448 Y HA 0.580 5.140 4.550 0.016 0.000 0.331 448 Y C -3.176 172.590 175.900 -0.223 0.000 1.173 448 Y CA -2.257 55.743 58.100 -0.166 0.000 1.076 448 Y CB 1.625 40.027 38.460 -0.096 0.000 1.336 448 Y HN -0.119 nan 8.280 nan 0.000 0.459 449 P HA 0.204 nan 4.420 nan 0.000 0.265 449 P C -0.731 176.335 177.300 -0.389 0.000 1.193 449 P CA 1.175 63.892 63.100 -0.640 0.000 0.765 449 P CB 0.226 31.214 31.700 -1.188 0.000 0.823 450 N N -1.007 117.567 118.700 -0.211 0.000 2.753 450 N HA -0.136 4.614 4.740 0.016 0.000 0.251 450 N C -0.934 174.495 175.510 -0.136 0.000 1.097 450 N CA 0.287 53.261 53.050 -0.127 0.000 0.786 450 N CB -1.380 37.064 38.487 -0.072 0.000 1.137 450 N HN 0.117 nan 8.380 nan 0.000 0.566 451 V N 0.678 120.510 119.914 -0.138 0.000 2.444 451 V HA 0.405 4.535 4.120 0.016 0.000 0.294 451 V C -0.184 175.812 176.094 -0.163 0.000 1.022 451 V CA -0.777 61.429 62.300 -0.157 0.000 0.850 451 V CB 1.813 33.507 31.823 -0.215 0.000 0.992 451 V HN 0.193 nan 8.190 nan 0.000 0.426 452 N N 3.793 122.405 118.700 -0.146 0.000 2.476 452 N HA 0.579 5.328 4.740 0.016 0.000 0.257 452 N C -0.424 174.969 175.510 -0.195 0.000 0.970 452 N CA -0.282 52.698 53.050 -0.117 0.000 0.938 452 N CB 1.848 40.313 38.487 -0.036 0.000 1.144 452 N HN 0.812 nan 8.380 nan 0.000 0.500 453 A N 3.822 126.570 122.820 -0.119 0.000 2.253 453 A HA 0.325 4.654 4.320 0.016 0.000 0.316 453 A C -0.366 177.268 177.584 0.084 0.000 1.327 453 A CA -0.484 51.516 52.037 -0.063 0.000 0.917 453 A CB -0.264 18.711 19.000 -0.042 0.000 1.162 453 A HN 0.853 nan 8.150 nan 0.000 0.535 454 H N 2.097 121.273 119.070 0.178 0.000 2.707 454 H HA 0.091 4.656 4.556 0.016 0.000 0.359 454 H C 0.176 175.678 175.328 0.290 0.000 1.113 454 H CA -0.515 55.679 56.048 0.244 0.000 1.422 454 H CB 0.689 30.614 29.762 0.272 0.000 1.443 454 H HN 0.665 nan 8.280 nan 0.000 0.591 455 N N 2.901 121.813 118.700 0.353 0.000 2.441 455 N HA -0.005 4.745 4.740 0.016 0.000 0.251 455 N C -0.232 175.251 175.510 -0.044 0.000 1.242 455 N CA 0.474 53.577 53.050 0.089 0.000 0.898 455 N CB 0.364 38.948 38.487 0.161 0.000 1.100 455 N HN 0.678 nan 8.380 nan 0.000 0.443 456 H N -1.715 117.078 119.070 -0.462 0.000 3.003 456 H HA 0.342 4.907 4.556 0.016 0.000 0.327 456 H C -1.316 173.721 175.328 -0.486 0.000 1.353 456 H CA -0.788 54.865 56.048 -0.659 0.000 1.142 456 H CB 0.862 29.755 29.762 -1.449 0.000 1.864 456 H HN 0.396 nan 8.280 nan 0.000 0.529 457 Q N 0.704 120.282 119.800 -0.370 0.000 2.257 457 Q HA 0.367 4.716 4.340 0.016 0.000 0.262 457 Q C -0.706 175.142 176.000 -0.253 0.000 0.997 457 Q CA -0.933 54.712 55.803 -0.264 0.000 0.873 457 Q CB 2.253 30.892 28.738 -0.166 0.000 1.312 457 Q HN 0.524 nan 8.270 nan 0.000 0.450 458 H N 1.903 120.946 119.070 -0.046 0.000 2.638 458 H HA 0.423 4.988 4.556 0.016 0.000 0.317 458 H C -0.835 174.345 175.328 -0.246 0.000 1.006 458 H CA -0.283 55.710 56.048 -0.091 0.000 1.222 458 H CB 0.862 30.685 29.762 0.102 0.000 1.419 458 H HN 0.351 nan 8.280 nan 0.000 0.489 459 L N 3.806 124.838 121.223 -0.318 0.000 2.362 459 L HA 0.497 4.846 4.340 0.016 0.000 0.271 459 L C -0.859 175.728 176.870 -0.471 0.000 1.002 459 L CA -0.775 53.918 54.840 -0.245 0.000 0.818 459 L CB 1.636 43.658 42.059 -0.062 0.000 1.298 459 L HN 0.375 nan 8.230 nan 0.000 0.420 460 F N -0.054 119.762 119.950 -0.223 0.000 2.576 460 F HA 0.423 4.959 4.527 0.015 0.000 0.313 460 F C 0.203 175.851 175.800 -0.254 0.000 1.078 460 F CA -0.723 57.062 58.000 -0.358 0.000 0.921 460 F CB 2.273 40.749 39.000 -0.872 0.000 1.232 460 F HN 0.240 nan 8.300 nan 0.000 0.459 461 S N 3.171 118.768 115.700 -0.172 0.000 2.601 461 S HA 0.485 4.964 4.470 0.016 0.000 0.312 461 S C -1.146 173.514 174.600 0.099 0.000 1.107 461 S CA -0.541 57.542 58.200 -0.195 0.000 1.129 461 S CB 0.154 62.795 63.200 -0.932 0.000 0.982 461 S HN 0.557 nan 8.310 nan 0.000 0.469 462 L N 5.887 127.294 121.223 0.308 0.000 2.319 462 L HA 0.535 4.884 4.340 0.016 0.000 0.280 462 L C 0.198 177.104 176.870 0.060 0.000 1.099 462 L CA 0.225 55.221 54.840 0.260 0.000 0.828 462 L CB 0.611 42.857 42.059 0.311 0.000 1.150 462 L HN 0.690 nan 8.230 nan 0.000 0.442 463 R N 6.335 126.758 120.500 -0.128 0.000 2.310 463 R HA 0.564 4.914 4.340 0.016 0.000 0.324 463 R C -1.439 174.613 176.300 -0.412 0.000 0.955 463 R CA -0.537 55.244 56.100 -0.530 0.000 0.830 463 R CB 0.606 30.543 30.300 -0.604 0.000 1.154 463 R HN 0.777 nan 8.270 nan 0.000 0.458 464 I N 3.536 123.864 120.570 -0.404 0.000 2.362 464 I HA 0.177 4.357 4.170 0.016 0.000 0.289 464 I C -0.544 175.425 176.117 -0.247 0.000 0.994 464 I CA -0.740 60.328 61.300 -0.387 0.000 1.158 464 I CB 1.844 39.566 38.000 -0.464 0.000 1.315 464 I HN 0.506 nan 8.210 nan 0.000 0.451 465 D N 9.560 129.851 120.400 -0.182 0.000 2.473 465 D HA 0.318 4.968 4.640 0.016 0.000 0.226 465 D C -2.510 173.832 176.300 0.070 0.000 1.089 465 D CA -2.108 51.882 54.000 -0.016 0.000 0.883 465 D CB 1.283 42.114 40.800 0.051 0.000 1.029 465 D HN 0.146 nan 8.370 nan 0.000 0.517 466 P HA 0.330 nan 4.420 nan 0.000 0.279 466 P C -0.468 176.919 177.300 0.145 0.000 1.252 466 P CA -0.592 62.649 63.100 0.235 0.000 0.811 466 P CB 1.249 33.063 31.700 0.190 0.000 1.035 467 R N 1.796 122.376 120.500 0.133 0.000 2.593 467 R HA 0.260 4.609 4.340 0.016 0.000 0.258 467 R C -0.383 175.950 176.300 0.054 0.000 1.410 467 R CA -0.382 55.760 56.100 0.071 0.000 1.537 467 R CB 0.033 30.384 30.300 0.085 0.000 1.362 467 R HN 0.329 nan 8.270 nan 0.000 0.734 468 I N 2.672 123.284 120.570 0.069 0.000 2.576 468 I HA -0.004 4.176 4.170 0.016 0.000 0.288 468 I C 0.604 176.827 176.117 0.175 0.000 1.126 468 I CA 0.800 62.175 61.300 0.126 0.000 1.362 468 I CB 0.141 38.252 38.000 0.185 0.000 1.419 468 I HN 0.604 nan 8.210 nan 0.000 0.533 469 D N 4.983 125.527 120.400 0.241 0.000 2.911 469 D HA -0.163 4.487 4.640 0.016 0.000 0.227 469 D C 0.645 176.966 176.300 0.035 0.000 1.164 469 D CA 1.629 55.681 54.000 0.086 0.000 0.782 469 D CB -0.646 40.101 40.800 -0.088 0.000 1.094 469 D HN 1.156 nan 8.370 nan 0.000 0.425 470 G N -1.153 107.679 108.800 0.053 0.000 2.396 470 G HA2 -0.063 3.906 3.960 0.016 0.000 0.254 470 G HA3 -0.063 3.906 3.960 0.016 0.000 0.254 470 G C -1.153 173.756 174.900 0.016 0.000 1.248 470 G CA -0.195 44.920 45.100 0.027 0.000 1.033 470 G HN 0.201 nan 8.290 nan 0.000 0.502 471 D N 1.134 121.533 120.400 -0.002 0.000 2.255 471 D HA 0.541 5.190 4.640 0.016 0.000 0.249 471 D C 0.776 177.069 176.300 -0.012 0.000 1.078 471 D CA 1.449 55.439 54.000 -0.016 0.000 0.896 471 D CB 1.138 41.921 40.800 -0.029 0.000 1.194 471 D HN 2.042 nan 8.370 nan 0.000 0.429 472 G N 1.706 110.495 108.800 -0.018 0.000 2.897 472 G HA2 -0.171 3.799 3.960 0.016 0.000 0.436 472 G HA3 -0.171 3.799 3.960 0.016 0.000 0.436 472 G C -0.700 174.179 174.900 -0.035 0.000 1.079 472 G CA -0.754 44.335 45.100 -0.019 0.000 1.090 472 G HN 0.577 nan 8.290 nan 0.000 0.480 473 N N -0.108 118.558 118.700 -0.057 0.000 2.380 473 N HA 0.834 5.583 4.740 0.016 0.000 0.290 473 N C -0.375 175.001 175.510 -0.223 0.000 1.236 473 N CA -0.780 52.195 53.050 -0.124 0.000 0.780 473 N CB 1.990 40.448 38.487 -0.049 0.000 1.438 473 N HN 0.409 nan 8.380 nan 0.000 0.491 474 S N -0.213 115.178 115.700 -0.516 0.000 2.685 474 S HA 0.839 5.318 4.470 0.016 0.000 0.282 474 S C -1.293 173.000 174.600 -0.512 0.000 1.159 474 S CA -0.694 57.176 58.200 -0.550 0.000 0.833 474 S CB 1.972 64.685 63.200 -0.812 0.000 1.151 474 S HN 0.680 nan 8.310 nan 0.000 0.485 475 A N 0.196 122.956 122.820 -0.100 0.000 2.479 475 A HA 1.017 5.346 4.320 0.016 0.000 0.296 475 A C -1.026 176.501 177.584 -0.094 0.000 1.121 475 A CA -0.567 51.567 52.037 0.163 0.000 0.743 475 A CB 1.528 20.839 19.000 0.518 0.000 1.323 475 A HN 1.460 nan 8.150 nan 0.000 0.415 476 A N -0.474 122.243 122.820 -0.173 0.000 2.606 476 A HA 0.864 5.193 4.320 0.016 0.000 0.293 476 A C -0.405 177.002 177.584 -0.294 0.000 1.082 476 A CA 0.041 51.735 52.037 -0.572 0.000 0.685 476 A CB 0.910 19.875 19.000 -0.059 0.000 1.284 476 A HN 2.463 nan 8.150 nan 0.000 0.408 477 A N -0.162 122.493 122.820 -0.275 0.000 2.306 477 A HA 0.623 4.952 4.320 0.016 0.000 0.314 477 A C -0.366 177.135 177.584 -0.138 0.000 1.164 477 A CA -0.334 51.634 52.037 -0.115 0.000 0.822 477 A CB 0.285 19.331 19.000 0.077 0.000 1.130 477 A HN 1.280 nan 8.150 nan 0.000 0.496 478 C N 2.107 121.287 119.300 -0.200 0.000 2.340 478 C HA 0.626 5.096 4.460 0.016 0.000 0.323 478 C C -0.906 173.986 174.990 -0.164 0.000 1.260 478 C CA -0.790 58.149 59.018 -0.132 0.000 1.464 478 C CB 0.395 28.084 27.740 -0.084 0.000 2.156 478 C HN 0.798 nan 8.230 nan 0.000 0.476 479 D N 2.234 122.551 120.400 -0.138 0.000 2.492 479 D HA 0.476 5.126 4.640 0.016 0.000 0.248 479 D C -0.276 175.917 176.300 -0.178 0.000 1.101 479 D CA 0.112 54.016 54.000 -0.160 0.000 0.840 479 D CB 2.137 42.852 40.800 -0.142 0.000 1.209 479 D HN 0.684 nan 8.370 nan 0.000 0.524 480 A N 3.108 125.831 122.820 -0.161 0.000 2.454 480 A HA 0.357 4.687 4.320 0.016 0.000 0.260 480 A C 0.158 177.604 177.584 -0.229 0.000 1.106 480 A CA 0.151 52.087 52.037 -0.167 0.000 0.780 480 A CB 0.333 19.247 19.000 -0.143 0.000 1.044 480 A HN 0.416 nan 8.150 nan 0.000 0.498 481 K N 1.995 122.198 120.400 -0.329 0.000 2.464 481 K HA 0.417 4.747 4.320 0.016 0.000 0.253 481 K C -0.639 175.900 176.600 -0.101 0.000 0.933 481 K CA -0.610 55.501 56.287 -0.293 0.000 0.801 481 K CB 2.221 34.464 32.500 -0.428 0.000 1.271 481 K HN 0.646 nan 8.250 nan 0.000 0.430 482 S N 1.008 116.730 115.700 0.036 0.000 2.568 482 S HA -0.018 4.462 4.470 0.016 0.000 0.282 482 S C 0.372 175.155 174.600 0.305 0.000 1.338 482 S CA -0.214 58.097 58.200 0.186 0.000 1.045 482 S CB 0.991 64.263 63.200 0.120 0.000 0.873 482 S HN 0.602 nan 8.310 nan 0.000 0.516 483 S N 2.833 118.754 115.700 0.369 0.000 2.558 483 S HA 0.048 4.527 4.470 0.016 0.000 0.291 483 S C -1.140 173.594 174.600 0.224 0.000 1.306 483 S CA -1.026 57.382 58.200 0.346 0.000 1.056 483 S CB 0.279 63.647 63.200 0.281 0.000 0.836 483 S HN 0.554 nan 8.310 nan 0.000 0.504 484 P HA 0.017 nan 4.420 nan 0.000 0.233 484 P C -0.350 176.866 177.300 -0.141 0.000 1.167 484 P CA 0.558 63.634 63.100 -0.041 0.000 0.770 484 P CB -0.094 31.509 31.700 -0.160 0.000 0.837 485 Y N 2.617 122.944 120.300 0.045 0.000 2.425 485 Y HA 0.195 4.754 4.550 0.015 0.000 0.331 485 Y C -1.361 174.559 175.900 0.033 0.000 1.157 485 Y CA -2.317 55.799 58.100 0.027 0.000 1.372 485 Y CB -0.429 38.039 38.460 0.013 0.000 1.253 485 Y HN 0.023 nan 8.280 nan 0.000 0.536 486 P HA 0.060 nan 4.420 nan 0.000 0.276 486 P C -0.683 176.669 177.300 0.086 0.000 1.252 486 P CA -0.581 62.575 63.100 0.093 0.000 0.802 486 P CB 1.085 32.822 31.700 0.061 0.000 1.035 487 L N 1.242 122.501 121.223 0.060 0.000 2.578 487 L HA 0.211 4.560 4.340 0.016 0.000 0.279 487 L C 1.421 178.292 176.870 0.002 0.000 1.227 487 L CA 2.215 57.076 54.840 0.035 0.000 0.900 487 L CB -1.111 40.967 42.059 0.031 0.000 1.144 487 L HN 0.861 nan 8.230 nan 0.000 0.496 488 G N 2.199 110.973 108.800 -0.043 0.000 2.176 488 G HA2 -0.277 3.693 3.960 0.016 0.000 0.253 488 G HA3 -0.277 3.693 3.960 0.016 0.000 0.253 488 G C 0.299 175.167 174.900 -0.053 0.000 0.979 488 G CA 0.392 45.444 45.100 -0.078 0.000 0.641 488 G HN 1.210 nan 8.290 nan 0.000 0.530 489 S N 0.190 115.883 115.700 -0.013 0.000 2.603 489 S HA 0.608 5.088 4.470 0.016 0.000 0.268 489 S C -0.839 173.733 174.600 -0.047 0.000 1.317 489 S CA -0.568 57.632 58.200 -0.001 0.000 1.012 489 S CB 2.093 65.338 63.200 0.075 0.000 0.926 489 S HN -0.009 nan 8.310 nan 0.000 0.539 490 P HA -0.057 nan 4.420 nan 0.000 0.219 490 P C 0.735 177.966 177.300 -0.115 0.000 1.146 490 P CA 1.121 64.171 63.100 -0.083 0.000 0.808 490 P CB -0.002 31.648 31.700 -0.083 0.000 0.779 491 E N -1.741 118.345 120.200 -0.189 0.000 2.358 491 E HA -0.028 4.332 4.350 0.016 0.000 0.195 491 E C 0.716 177.245 176.600 -0.118 0.000 1.010 491 E CA 0.622 56.848 56.400 -0.289 0.000 0.856 491 E CB -0.296 28.922 29.700 -0.804 0.000 0.795 491 E HN 0.093 nan 8.360 nan 0.000 0.504 492 N N -0.434 118.250 118.700 -0.027 0.000 2.639 492 N HA 0.068 4.817 4.740 0.016 0.000 0.265 492 N C 0.144 175.676 175.510 0.037 0.000 1.689 492 N CA -0.012 53.070 53.050 0.053 0.000 0.813 492 N CB -0.002 38.560 38.487 0.125 0.000 1.353 492 N HN -0.066 nan 8.380 nan 0.000 0.510 493 M N 0.329 119.926 119.600 -0.005 0.000 2.082 493 M HA -0.043 4.446 4.480 0.016 0.000 0.258 493 M C 0.183 176.327 176.300 -0.260 0.000 1.069 493 M CA 2.044 57.243 55.300 -0.168 0.000 1.102 493 M CB -0.291 32.147 32.600 -0.270 0.000 1.336 493 M HN 0.376 nan 8.290 nan 0.000 0.404 494 Y N -0.711 119.605 120.300 0.026 0.000 2.524 494 Y HA 0.441 5.000 4.550 0.016 0.000 0.266 494 Y C 1.460 177.387 175.900 0.046 0.000 1.180 494 Y CA 0.073 58.192 58.100 0.031 0.000 1.244 494 Y CB -0.242 38.234 38.460 0.027 0.000 1.125 494 Y HN 0.455 nan 8.280 nan 0.000 0.524 495 G N 1.346 110.239 108.800 0.155 0.000 2.168 495 G HA2 -0.389 3.580 3.960 0.016 0.000 0.257 495 G HA3 -0.389 3.580 3.960 0.016 0.000 0.257 495 G C 0.984 175.978 174.900 0.157 0.000 0.997 495 G CA 0.756 45.936 45.100 0.133 0.000 0.708 495 G HN 0.571 nan 8.290 nan 0.000 0.520 496 N N 0.188 118.995 118.700 0.178 0.000 2.353 496 N HA 0.384 5.134 4.740 0.016 0.000 0.185 496 N C 1.054 176.702 175.510 0.229 0.000 1.098 496 N CA 0.755 53.920 53.050 0.191 0.000 0.872 496 N CB -0.034 38.547 38.487 0.156 0.000 0.970 496 N HN 1.014 nan 8.380 nan 0.000 0.467 497 A N 0.955 123.885 122.820 0.182 0.000 2.477 497 A HA 0.446 4.776 4.320 0.016 0.000 0.246 497 A C -0.378 177.377 177.584 0.285 0.000 1.078 497 A CA -0.307 51.817 52.037 0.145 0.000 0.770 497 A CB -0.490 18.581 19.000 0.118 0.000 1.011 497 A HN 0.482 nan 8.150 nan 0.000 0.494 498 F N 0.667 120.706 119.950 0.148 0.000 2.668 498 F HA 0.788 5.324 4.527 0.015 0.000 0.309 498 F C -0.991 174.948 175.800 0.232 0.000 1.117 498 F CA -1.368 56.736 58.000 0.174 0.000 0.951 498 F CB 1.119 40.156 39.000 0.062 0.000 1.323 498 F HN 0.767 nan 8.300 nan 0.000 0.451 499 Y N -0.672 119.787 120.300 0.264 0.000 2.689 499 Y HA 0.764 5.323 4.550 0.015 0.000 0.333 499 Y C -1.432 174.571 175.900 0.172 0.000 1.190 499 Y CA -1.770 56.401 58.100 0.118 0.000 1.063 499 Y CB 1.061 39.548 38.460 0.045 0.000 1.294 499 Y HN 0.799 nan 8.280 nan 0.000 0.466 500 S N 0.913 116.679 115.700 0.110 0.000 2.438 500 S HA 0.266 4.745 4.470 0.016 0.000 0.316 500 S C -0.944 173.678 174.600 0.037 0.000 1.084 500 S CA -0.597 57.594 58.200 -0.016 0.000 1.107 500 S CB 0.215 63.442 63.200 0.046 0.000 0.981 500 S HN 0.713 nan 8.310 nan 0.000 0.466 501 E N 4.144 124.275 120.200 -0.114 0.000 2.152 501 E HA 0.192 4.551 4.350 0.016 0.000 0.285 501 E C -0.542 176.061 176.600 0.006 0.000 1.043 501 E CA -0.367 56.057 56.400 0.041 0.000 0.839 501 E CB 0.509 30.207 29.700 -0.004 0.000 1.069 501 E HN 0.519 nan 8.360 nan 0.000 0.399 502 K N 3.603 124.017 120.400 0.023 0.000 2.240 502 K HA 0.219 4.548 4.320 0.016 0.000 0.271 502 K C -1.191 175.406 176.600 -0.004 0.000 1.018 502 K CA -0.374 55.896 56.287 -0.029 0.000 0.874 502 K CB 1.171 33.624 32.500 -0.079 0.000 1.098 502 K HN 0.340 nan 8.250 nan 0.000 0.458 503 T N 3.445 117.996 114.554 -0.006 0.000 2.853 503 T HA 0.141 4.500 4.350 0.016 0.000 0.317 503 T C -0.501 174.187 174.700 -0.021 0.000 1.059 503 T CA -0.417 61.712 62.100 0.049 0.000 0.954 503 T CB 1.018 69.966 68.868 0.133 0.000 0.994 503 T HN 0.477 nan 8.240 nan 0.000 0.479 504 T N 4.559 119.135 114.554 0.037 0.000 2.851 504 T HA 0.296 4.655 4.350 0.016 0.000 0.298 504 T C 0.072 174.882 174.700 0.183 0.000 0.977 504 T CA -0.256 61.884 62.100 0.066 0.000 1.126 504 T CB -0.102 68.889 68.868 0.207 0.000 0.916 504 T HN 0.254 nan 8.240 nan 0.000 0.529 505 F N 3.091 123.169 119.950 0.214 0.000 2.472 505 F HA 0.311 4.846 4.527 0.013 0.000 0.364 505 F C 1.449 177.321 175.800 0.119 0.000 1.090 505 F CA -1.130 56.962 58.000 0.153 0.000 1.188 505 F CB 0.489 39.581 39.000 0.153 0.000 1.105 505 F HN 0.558 nan 8.300 nan 0.000 0.536 506 K N 0.609 121.179 120.400 0.283 0.000 2.168 506 K HA 0.064 4.394 4.320 0.016 0.000 0.201 506 K C 0.745 177.428 176.600 0.138 0.000 1.049 506 K CA 0.932 57.325 56.287 0.177 0.000 0.974 506 K CB 0.248 32.830 32.500 0.136 0.000 0.792 506 K HN 0.719 nan 8.250 nan 0.000 0.463 507 T N -2.950 111.676 114.554 0.121 0.000 2.926 507 T HA 0.243 4.603 4.350 0.016 0.000 0.289 507 T C 1.280 176.003 174.700 0.039 0.000 1.054 507 T CA -0.932 61.212 62.100 0.073 0.000 1.015 507 T CB 1.727 70.624 68.868 0.049 0.000 1.167 507 T HN -0.229 nan 8.240 nan 0.000 0.526 508 V N 1.339 121.263 119.914 0.017 0.000 2.278 508 V HA -0.206 3.924 4.120 0.016 0.000 0.251 508 V C 2.873 178.907 176.094 -0.100 0.000 1.062 508 V CA 2.484 64.768 62.300 -0.026 0.000 1.038 508 V CB -0.896 30.925 31.823 -0.003 0.000 0.646 508 V HN 1.043 nan 8.190 nan 0.000 0.447 509 K N -0.237 120.119 120.400 -0.073 0.000 2.113 509 K HA -0.259 4.071 4.320 0.016 0.000 0.208 509 K C 1.782 178.292 176.600 -0.149 0.000 1.047 509 K CA 1.955 58.180 56.287 -0.104 0.000 0.928 509 K CB -0.272 32.197 32.500 -0.050 0.000 0.716 509 K HN 0.508 nan 8.250 nan 0.000 0.446 510 D N -0.047 120.286 120.400 -0.113 0.000 2.218 510 D HA -0.127 4.523 4.640 0.016 0.000 0.204 510 D C 1.874 177.862 176.300 -0.520 0.000 0.976 510 D CA 1.508 55.437 54.000 -0.118 0.000 0.853 510 D CB -0.069 40.785 40.800 0.090 0.000 0.939 510 D HN 0.367 nan 8.370 nan 0.000 0.481 511 S N -0.112 115.130 115.700 -0.762 0.000 2.489 511 S HA -0.013 4.467 4.470 0.016 0.000 0.228 511 S C 1.213 175.350 174.600 -0.772 0.000 0.995 511 S CA -0.128 57.210 58.200 -1.438 0.000 0.934 511 S CB -0.382 62.341 63.200 -0.795 0.000 0.771 511 S HN 0.154 nan 8.310 nan 0.000 0.522 512 L N 3.792 124.712 121.223 -0.505 0.000 2.462 512 L HA 0.302 4.651 4.340 0.016 0.000 0.283 512 L C 0.153 176.876 176.870 -0.247 0.000 1.166 512 L CA -0.235 54.288 54.840 -0.528 0.000 0.964 512 L CB -0.693 40.888 42.059 -0.796 0.000 1.294 512 L HN 0.367 nan 8.230 nan 0.000 0.449 513 T N -1.309 113.260 114.554 0.024 0.000 2.906 513 T HA 0.527 4.886 4.350 0.016 0.000 0.295 513 T C -0.360 174.627 174.700 0.479 0.000 1.061 513 T CA -1.084 61.203 62.100 0.312 0.000 1.000 513 T CB 2.371 71.527 68.868 0.480 0.000 1.103 513 T HN 0.169 nan 8.240 nan 0.000 0.486 514 N N 0.287 119.271 118.700 0.474 0.000 2.404 514 N HA 0.354 5.104 4.740 0.016 0.000 0.297 514 N C -1.120 174.756 175.510 0.610 0.000 1.163 514 N CA -0.668 52.677 53.050 0.491 0.000 0.864 514 N CB 1.185 39.850 38.487 0.297 0.000 1.247 514 N HN 0.765 nan 8.380 nan 0.000 0.510 515 Y N 0.996 121.648 120.300 0.586 0.000 2.597 515 Y HA 0.006 4.566 4.550 0.016 0.000 0.336 515 Y C -0.200 175.832 175.900 0.221 0.000 1.216 515 Y CA 0.605 58.986 58.100 0.469 0.000 1.463 515 Y CB 0.513 39.266 38.460 0.488 0.000 1.303 515 Y HN 0.308 nan 8.280 nan 0.000 0.576 516 E N 3.543 123.226 120.200 -0.863 0.000 2.255 516 E HA 0.132 4.491 4.350 0.016 0.000 0.256 516 E C 0.374 176.461 176.600 -0.855 0.000 0.887 516 E CA 0.017 56.048 56.400 -0.615 0.000 0.782 516 E CB 1.606 31.130 29.700 -0.294 0.000 1.214 516 E HN 0.787 nan 8.360 nan 0.000 0.417 517 S N 1.574 116.952 115.700 -0.536 0.000 2.399 517 S HA -0.155 4.324 4.470 0.016 0.000 0.231 517 S C 1.859 176.359 174.600 -0.166 0.000 1.022 517 S CA 0.934 58.988 58.200 -0.244 0.000 0.983 517 S CB -0.076 63.123 63.200 -0.002 0.000 0.803 517 S HN 0.478 nan 8.310 nan 0.000 0.480 518 A N 1.887 124.612 122.820 -0.160 0.000 2.024 518 A HA -0.022 4.307 4.320 0.016 0.000 0.220 518 A C 2.302 179.807 177.584 -0.132 0.000 1.164 518 A CA 1.850 53.819 52.037 -0.114 0.000 0.643 518 A CB -0.975 17.971 19.000 -0.090 0.000 0.806 518 A HN 0.794 nan 8.150 nan 0.000 0.451 519 T N -5.426 109.021 114.554 -0.178 0.000 3.043 519 T HA 0.431 4.790 4.350 0.016 0.000 0.272 519 T C 1.079 175.678 174.700 -0.168 0.000 0.990 519 T CA 0.880 62.877 62.100 -0.171 0.000 0.897 519 T CB -0.045 68.718 68.868 -0.175 0.000 1.111 519 T HN 1.623 nan 8.240 nan 0.000 0.529 520 G N 2.822 111.525 108.800 -0.163 0.000 2.395 520 G HA2 -0.345 3.624 3.960 0.016 0.000 0.300 520 G HA3 -0.345 3.624 3.960 0.016 0.000 0.300 520 G C 0.020 174.896 174.900 -0.041 0.000 0.998 520 G CA 0.335 45.408 45.100 -0.045 0.000 1.046 520 G HN 0.921 nan 8.290 nan 0.000 0.513 521 R N 0.063 120.437 120.500 -0.210 0.000 2.585 521 R HA 0.362 4.712 4.340 0.016 0.000 0.275 521 R C 0.896 177.052 176.300 -0.242 0.000 1.018 521 R CA 0.843 56.758 56.100 -0.309 0.000 1.072 521 R CB 0.252 30.244 30.300 -0.513 0.000 0.953 521 R HN 0.603 nan 8.270 nan 0.000 0.419 522 S N 3.726 119.223 115.700 -0.339 0.000 2.709 522 S HA 0.606 5.086 4.470 0.016 0.000 0.302 522 S C -1.096 173.316 174.600 -0.313 0.000 1.127 522 S CA -1.033 57.053 58.200 -0.191 0.000 0.905 522 S CB 1.396 64.610 63.200 0.023 0.000 1.151 522 S HN 0.626 nan 8.310 nan 0.000 0.510 523 W N 0.409 121.816 121.300 0.179 0.000 2.844 523 W HA 0.446 5.115 4.660 0.014 0.000 0.340 523 W C -1.317 175.296 176.519 0.157 0.000 1.093 523 W CA -0.471 57.010 57.345 0.226 0.000 1.212 523 W CB 2.056 31.780 29.460 0.441 0.000 1.422 523 W HN 0.608 nan 8.180 nan 0.000 0.515 524 D N 1.873 122.501 120.400 0.381 0.000 2.185 524 D HA 0.543 5.193 4.640 0.016 0.000 0.247 524 D C -0.502 176.037 176.300 0.398 0.000 1.027 524 D CA -0.391 53.803 54.000 0.324 0.000 0.861 524 D CB 2.236 43.198 40.800 0.269 0.000 1.202 524 D HN 0.085 nan 8.370 nan 0.000 0.453 525 I N 2.652 123.409 120.570 0.312 0.000 2.389 525 I HA 0.451 4.631 4.170 0.016 0.000 0.288 525 I C -0.615 175.702 176.117 0.332 0.000 0.999 525 I CA -0.938 60.511 61.300 0.248 0.000 1.129 525 I CB 0.651 38.712 38.000 0.103 0.000 1.288 525 I HN 0.231 nan 8.210 nan 0.000 0.444 526 F N 3.729 123.761 119.950 0.137 0.000 2.664 526 F HA 0.587 5.122 4.527 0.013 0.000 0.317 526 F C -0.965 174.896 175.800 0.101 0.000 1.108 526 F CA -1.084 56.990 58.000 0.122 0.000 0.957 526 F CB 1.307 40.360 39.000 0.088 0.000 1.365 526 F HN 0.223 nan 8.300 nan 0.000 0.475 527 N N 2.585 121.452 118.700 0.279 0.000 2.546 527 N HA 0.382 5.132 4.740 0.016 0.000 0.238 527 N C -2.163 173.481 175.510 0.223 0.000 0.984 527 N CA -2.655 50.475 53.050 0.134 0.000 0.935 527 N CB 1.559 40.103 38.487 0.097 0.000 1.122 527 N HN 0.423 nan 8.380 nan 0.000 0.510 528 P HA 0.029 nan 4.420 nan 0.000 0.242 528 P C 0.154 177.527 177.300 0.122 0.000 1.197 528 P CA 0.559 63.812 63.100 0.255 0.000 0.765 528 P CB 0.478 32.319 31.700 0.235 0.000 0.936 529 N N 0.002 118.748 118.700 0.075 0.000 2.398 529 N HA 0.051 4.800 4.740 0.016 0.000 0.188 529 N C 0.525 176.049 175.510 0.023 0.000 1.122 529 N CA 0.572 53.645 53.050 0.039 0.000 0.866 529 N CB 0.496 38.996 38.487 0.021 0.000 0.970 529 N HN 0.350 nan 8.380 nan 0.000 0.462 530 K N 0.315 120.733 120.400 0.030 0.000 2.444 530 K HA 0.559 4.889 4.320 0.016 0.000 0.252 530 K C -0.909 175.689 176.600 -0.002 0.000 0.993 530 K CA -0.850 55.435 56.287 -0.003 0.000 0.847 530 K CB 3.190 35.672 32.500 -0.031 0.000 1.340 530 K HN -0.205 nan 8.250 nan 0.000 0.446 531 V N -1.333 118.563 119.914 -0.029 0.000 2.808 531 V HA 0.431 4.560 4.120 0.016 0.000 0.308 531 V C -0.753 175.311 176.094 -0.050 0.000 1.099 531 V CA -1.075 61.206 62.300 -0.032 0.000 0.920 531 V CB 1.810 33.618 31.823 -0.024 0.000 1.014 531 V HN 0.786 nan 8.190 nan 0.000 0.425 532 N N 5.679 124.357 118.700 -0.036 0.000 2.452 532 N HA 0.260 5.009 4.740 0.016 0.000 0.266 532 N C -1.448 174.052 175.510 -0.017 0.000 1.175 532 N CA -1.248 51.782 53.050 -0.034 0.000 0.945 532 N CB 1.979 40.498 38.487 0.053 0.000 1.063 532 N HN 0.646 nan 8.380 nan 0.000 0.472 533 P HA -0.086 nan 4.420 nan 0.000 0.229 533 P C 0.571 177.966 177.300 0.157 0.000 1.160 533 P CA 0.967 64.062 63.100 -0.010 0.000 0.777 533 P CB 0.197 31.846 31.700 -0.086 0.000 0.814 534 Y N 1.449 121.755 120.300 0.010 0.000 2.190 534 Y HA -0.031 4.528 4.550 0.015 0.000 0.290 534 Y C 2.876 178.791 175.900 0.025 0.000 1.115 534 Y CA 1.093 59.201 58.100 0.014 0.000 1.107 534 Y CB -1.392 37.078 38.460 0.017 0.000 1.033 534 Y HN 0.068 nan 8.280 nan 0.000 0.502 535 S N -1.195 114.647 115.700 0.237 0.000 2.496 535 S HA 0.212 4.691 4.470 0.016 0.000 0.224 535 S C 1.869 176.504 174.600 0.058 0.000 0.996 535 S CA 0.633 58.933 58.200 0.167 0.000 0.927 535 S CB -0.237 63.154 63.200 0.318 0.000 0.774 535 S HN 0.639 nan 8.310 nan 0.000 0.524 536 G N 1.081 109.904 108.800 0.038 0.000 2.184 536 G HA2 -0.220 3.749 3.960 0.016 0.000 0.264 536 G HA3 -0.220 3.749 3.960 0.016 0.000 0.264 536 G C -0.018 174.834 174.900 -0.080 0.000 0.975 536 G CA 0.415 45.506 45.100 -0.016 0.000 0.642 536 G HN 0.517 nan 8.290 nan 0.000 0.536 537 K N 0.809 121.121 120.400 -0.146 0.000 2.123 537 K HA 0.547 4.877 4.320 0.016 0.000 0.248 537 K C -2.411 174.085 176.600 -0.173 0.000 0.969 537 K CA -2.205 53.912 56.287 -0.284 0.000 0.882 537 K CB 1.733 33.793 32.500 -0.733 0.000 1.080 537 K HN 0.105 nan 8.250 nan 0.000 0.441 538 P HA 0.147 nan 4.420 nan 0.000 0.271 538 P C -2.518 174.813 177.300 0.051 0.000 1.218 538 P CA -1.409 61.683 63.100 -0.012 0.000 0.780 538 P CB -0.346 31.402 31.700 0.080 0.000 0.901 539 P HA 0.042 nan 4.420 nan 0.000 0.268 539 P C -0.263 177.216 177.300 0.299 0.000 1.204 539 P CA 0.447 63.621 63.100 0.123 0.000 0.768 539 P CB 0.440 32.086 31.700 -0.089 0.000 0.842 540 S N 2.267 118.178 115.700 0.351 0.000 2.579 540 S HA 0.585 5.064 4.470 0.016 0.000 0.272 540 S C -1.541 173.215 174.600 0.260 0.000 1.141 540 S CA -0.732 57.679 58.200 0.351 0.000 0.843 540 S CB 1.116 64.483 63.200 0.278 0.000 1.122 540 S HN 0.312 nan 8.310 nan 0.000 0.468 541 Y N 0.825 121.179 120.300 0.089 0.000 2.377 541 Y HA 0.579 5.138 4.550 0.015 0.000 0.339 541 Y C 0.274 176.218 175.900 0.074 0.000 1.011 541 Y CA -0.535 57.575 58.100 0.017 0.000 1.093 541 Y CB 1.873 40.310 38.460 -0.038 0.000 1.201 541 Y HN 0.795 nan 8.280 nan 0.000 0.455 542 K N 4.295 124.752 120.400 0.094 0.000 2.274 542 K HA 0.421 4.751 4.320 0.016 0.000 0.262 542 K C -1.607 175.055 176.600 0.104 0.000 0.961 542 K CA -0.939 55.415 56.287 0.112 0.000 0.833 542 K CB 1.034 33.577 32.500 0.073 0.000 1.102 542 K HN 0.620 nan 8.250 nan 0.000 0.436 543 L N 5.615 126.915 121.223 0.128 0.000 2.315 543 L HA 0.259 4.608 4.340 0.016 0.000 0.283 543 L C -1.366 175.604 176.870 0.166 0.000 1.089 543 L CA -0.003 54.887 54.840 0.084 0.000 0.833 543 L CB 1.119 43.184 42.059 0.010 0.000 1.170 543 L HN 0.374 nan 8.230 nan 0.000 0.442 544 V N 5.004 124.964 119.914 0.077 0.000 2.313 544 V HA 0.585 4.714 4.120 0.016 0.000 0.278 544 V C -0.056 176.059 176.094 0.036 0.000 1.017 544 V CA -0.239 62.108 62.300 0.078 0.000 0.823 544 V CB 0.973 32.820 31.823 0.039 0.000 1.010 544 V HN 0.845 nan 8.190 nan 0.000 0.443 545 S N 2.824 118.570 115.700 0.078 0.000 2.706 545 S HA 0.411 4.890 4.470 0.016 0.000 0.270 545 S C 0.524 175.062 174.600 -0.104 0.000 1.163 545 S CA 0.189 58.417 58.200 0.047 0.000 1.042 545 S CB 1.667 64.957 63.200 0.150 0.000 1.079 545 S HN 0.930 nan 8.310 nan 0.000 0.474 546 T N 1.368 115.791 114.554 -0.218 0.000 2.985 546 T HA 0.275 4.635 4.350 0.016 0.000 0.254 546 T C 0.461 175.023 174.700 -0.231 0.000 1.021 546 T CA -0.016 61.759 62.100 -0.541 0.000 0.957 546 T CB -0.129 68.527 68.868 -0.354 0.000 1.047 546 T HN 0.573 nan 8.240 nan 0.000 0.511 547 Q N 1.046 120.833 119.800 -0.021 0.000 2.837 547 Q HA 0.334 4.683 4.340 0.016 0.000 0.235 547 Q C -0.943 175.168 176.000 0.184 0.000 1.348 547 Q CA -0.436 55.425 55.803 0.096 0.000 0.990 547 Q CB -0.396 28.422 28.738 0.132 0.000 1.570 547 Q HN 0.456 nan 8.270 nan 0.000 0.575 548 C N 2.968 122.366 119.300 0.162 0.000 3.188 548 C HA 0.352 4.821 4.460 0.016 0.000 0.230 548 C C -2.139 172.986 174.990 0.225 0.000 1.239 548 C CA -1.798 57.361 59.018 0.236 0.000 1.494 548 C CB -0.317 27.634 27.740 0.351 0.000 1.798 548 C HN 0.555 nan 8.230 nan 0.000 0.458 549 P HA 0.281 nan 4.420 nan 0.000 0.274 549 P C -2.240 175.122 177.300 0.104 0.000 1.231 549 P CA -0.748 62.427 63.100 0.125 0.000 0.790 549 P CB 0.111 31.857 31.700 0.077 0.000 0.951 550 P HA 0.103 nan 4.420 nan 0.000 0.274 550 P C -0.697 176.597 177.300 -0.009 0.000 1.231 550 P CA -0.359 62.766 63.100 0.041 0.000 0.790 550 P CB 0.537 32.263 31.700 0.043 0.000 0.951 551 L N 2.947 124.133 121.223 -0.062 0.000 2.418 551 L HA 0.064 4.414 4.340 0.016 0.000 0.274 551 L C 1.129 177.947 176.870 -0.086 0.000 1.135 551 L CA 0.363 55.139 54.840 -0.107 0.000 0.870 551 L CB -0.442 41.510 42.059 -0.177 0.000 1.154 551 L HN 0.335 nan 8.230 nan 0.000 0.462 552 L N 4.749 125.929 121.223 -0.072 0.000 2.209 552 L HA 0.191 4.540 4.340 0.016 0.000 0.207 552 L C 1.389 178.221 176.870 -0.064 0.000 1.094 552 L CA 0.371 55.187 54.840 -0.040 0.000 0.790 552 L CB -0.412 41.643 42.059 -0.007 0.000 0.932 552 L HN 0.832 nan 8.230 nan 0.000 0.447 553 A N 1.101 123.859 122.820 -0.103 0.000 2.531 553 A HA 0.101 4.431 4.320 0.016 0.000 0.236 553 A C 0.266 177.775 177.584 -0.125 0.000 1.062 553 A CA 0.009 51.970 52.037 -0.126 0.000 0.760 553 A CB 0.095 18.994 19.000 -0.169 0.000 0.995 553 A HN 0.084 nan 8.150 nan 0.000 0.501 554 K N 1.906 122.237 120.400 -0.115 0.000 2.219 554 K HA 0.113 4.443 4.320 0.016 0.000 0.258 554 K C 0.093 176.620 176.600 -0.122 0.000 1.008 554 K CA -0.173 56.053 56.287 -0.102 0.000 0.928 554 K CB 0.474 32.922 32.500 -0.086 0.000 0.983 554 K HN 0.786 nan 8.250 nan 0.000 0.484 555 E N -0.138 119.998 120.200 -0.107 0.000 2.529 555 E HA -0.038 4.322 4.350 0.016 0.000 0.259 555 E C 0.831 177.363 176.600 -0.114 0.000 0.966 555 E CA 0.940 57.273 56.400 -0.112 0.000 0.937 555 E CB 0.072 29.721 29.700 -0.086 0.000 0.923 555 E HN 0.831 nan 8.360 nan 0.000 0.468 556 G N 2.711 111.431 108.800 -0.134 0.000 2.179 556 G HA2 -0.351 3.619 3.960 0.016 0.000 0.260 556 G HA3 -0.351 3.619 3.960 0.016 0.000 0.260 556 G C 0.399 175.204 174.900 -0.157 0.000 0.977 556 G CA 0.403 45.421 45.100 -0.137 0.000 0.641 556 G HN 0.706 nan 8.290 nan 0.000 0.533 557 S N -0.109 115.488 115.700 -0.170 0.000 2.584 557 S HA 0.519 4.999 4.470 0.016 0.000 0.270 557 S C 1.560 176.010 174.600 -0.250 0.000 1.346 557 S CA 0.161 58.247 58.200 -0.191 0.000 1.018 557 S CB 1.528 64.612 63.200 -0.193 0.000 0.899 557 S HN 1.052 nan 8.310 nan 0.000 0.542 558 L N 2.770 123.836 121.223 -0.263 0.000 2.043 558 L HA -0.076 4.273 4.340 0.016 0.000 0.212 558 L C 2.417 179.017 176.870 -0.450 0.000 1.075 558 L CA 1.684 56.323 54.840 -0.335 0.000 0.752 558 L CB -1.117 40.781 42.059 -0.269 0.000 0.891 558 L HN 0.740 nan 8.230 nan 0.000 0.432 559 V N -0.107 119.514 119.914 -0.489 0.000 2.255 559 V HA -0.318 3.811 4.120 0.016 0.000 0.247 559 V C 2.752 178.628 176.094 -0.363 0.000 1.051 559 V CA 1.820 63.850 62.300 -0.450 0.000 1.018 559 V CB -1.381 30.230 31.823 -0.354 0.000 0.641 559 V HN 0.611 nan 8.190 nan 0.000 0.445 560 A N -0.621 122.005 122.820 -0.322 0.000 1.969 560 A HA -0.191 4.139 4.320 0.016 0.000 0.218 560 A C 2.268 179.663 177.584 -0.315 0.000 1.169 560 A CA 1.737 53.590 52.037 -0.306 0.000 0.635 560 A CB -0.351 18.503 19.000 -0.244 0.000 0.810 560 A HN 0.575 nan 8.150 nan 0.000 0.445 561 K N -0.657 119.539 120.400 -0.341 0.000 2.076 561 K HA -0.002 4.327 4.320 0.016 0.000 0.204 561 K C 2.086 178.379 176.600 -0.512 0.000 1.051 561 K CA 1.107 57.156 56.287 -0.396 0.000 0.949 561 K CB -0.097 32.138 32.500 -0.443 0.000 0.726 561 K HN 0.338 nan 8.250 nan 0.000 0.443 562 R N 0.058 120.263 120.500 -0.492 0.000 2.240 562 R HA 0.098 4.447 4.340 0.016 0.000 0.203 562 R C 0.387 176.623 176.300 -0.106 0.000 1.011 562 R CA 0.550 56.406 56.100 -0.406 0.000 1.007 562 R CB 0.421 30.586 30.300 -0.224 0.000 0.911 562 R HN 0.002 nan 8.270 nan 0.000 0.468 563 A N 1.368 124.013 122.820 -0.292 0.000 3.204 563 A HA 0.298 4.627 4.320 0.016 0.000 0.327 563 A C -2.041 175.098 177.584 -0.742 0.000 0.998 563 A CA -1.227 50.454 52.037 -0.594 0.000 0.891 563 A CB 0.549 19.037 19.000 -0.853 0.000 1.061 563 A HN -0.079 nan 8.150 nan 0.000 0.478 564 P HA -0.176 nan 4.420 nan 0.000 0.219 564 P C 1.462 178.662 177.300 -0.167 0.000 1.146 564 P CA 1.124 64.099 63.100 -0.209 0.000 0.808 564 P CB -0.236 31.423 31.700 -0.069 0.000 0.779 565 W N 0.142 121.395 121.300 -0.078 0.000 2.465 565 W HA 0.197 4.866 4.660 0.015 0.000 0.268 565 W C 1.483 177.999 176.519 -0.004 0.000 1.242 565 W CA 0.659 57.973 57.345 -0.051 0.000 1.248 565 W CB -1.714 27.698 29.460 -0.079 0.000 1.118 565 W HN -0.081 nan 8.180 nan 0.000 0.587 566 A N 1.543 123.970 122.820 -0.656 0.000 2.167 566 A HA -0.068 4.261 4.320 0.016 0.000 0.214 566 A C 2.134 179.559 177.584 -0.265 0.000 1.151 566 A CA 1.459 53.157 52.037 -0.565 0.000 0.735 566 A CB -0.850 17.512 19.000 -1.064 0.000 0.802 566 A HN 0.315 nan 8.150 nan 0.000 0.467 567 S N -0.945 114.606 115.700 -0.248 0.000 2.522 567 S HA 0.062 4.542 4.470 0.016 0.000 0.227 567 S C 0.380 174.711 174.600 -0.448 0.000 0.986 567 S CA 0.153 58.166 58.200 -0.311 0.000 0.929 567 S CB -0.367 62.632 63.200 -0.334 0.000 0.769 567 S HN 0.654 nan 8.310 nan 0.000 0.529 568 H N -0.432 118.641 119.070 0.005 0.000 2.821 568 H HA 0.549 5.115 4.556 0.017 0.000 0.373 568 H C 0.555 175.940 175.328 0.095 0.000 1.165 568 H CA -0.432 55.651 56.048 0.057 0.000 1.154 568 H CB 1.850 31.632 29.762 0.033 0.000 1.765 568 H HN -0.039 nan 8.280 nan 0.000 0.549 569 S N 0.509 116.368 115.700 0.266 0.000 2.402 569 S HA 0.022 4.502 4.470 0.016 0.000 0.229 569 S C 0.455 175.120 174.600 0.110 0.000 1.021 569 S CA 0.581 58.911 58.200 0.217 0.000 0.974 569 S CB 0.325 63.754 63.200 0.381 0.000 0.800 569 S HN 0.245 nan 8.310 nan 0.000 0.484 570 V N 2.534 122.450 119.914 0.004 0.000 2.709 570 V HA 0.433 4.562 4.120 0.016 0.000 0.308 570 V C -1.107 174.870 176.094 -0.195 0.000 1.062 570 V CA -0.960 61.178 62.300 -0.269 0.000 0.901 570 V CB 2.086 33.481 31.823 -0.712 0.000 1.003 570 V HN 0.267 nan 8.190 nan 0.000 0.425 571 N N 3.002 121.577 118.700 -0.209 0.000 2.430 571 N HA 0.564 5.313 4.740 0.016 0.000 0.290 571 N C -1.498 173.943 175.510 -0.116 0.000 1.063 571 N CA -0.327 52.650 53.050 -0.122 0.000 0.883 571 N CB 2.759 41.270 38.487 0.039 0.000 1.465 571 N HN 0.334 nan 8.380 nan 0.000 0.493 572 V N 1.973 121.812 119.914 -0.125 0.000 2.448 572 V HA 0.529 4.658 4.120 0.016 0.000 0.295 572 V C 0.213 176.353 176.094 0.077 0.000 1.025 572 V CA -0.774 61.531 62.300 0.008 0.000 0.859 572 V CB 1.602 33.463 31.823 0.063 0.000 0.988 572 V HN 0.493 nan 8.190 nan 0.000 0.431 573 V N 3.197 123.201 119.914 0.150 0.000 3.040 573 V HA 0.786 4.916 4.120 0.016 0.000 0.312 573 V C -2.929 173.221 176.094 0.093 0.000 1.115 573 V CA -3.059 59.314 62.300 0.121 0.000 0.998 573 V CB 2.190 34.111 31.823 0.163 0.000 1.042 573 V HN 0.618 nan 8.190 nan 0.000 0.433 574 P HA 0.139 nan 4.420 nan 0.000 0.269 574 P C -1.097 176.196 177.300 -0.012 0.000 1.209 574 P CA 0.238 63.364 63.100 0.044 0.000 0.776 574 P CB 0.008 31.723 31.700 0.025 0.000 0.876 575 Y N 3.341 123.607 120.300 -0.056 0.000 2.526 575 Y HA 0.175 4.734 4.550 0.015 0.000 0.330 575 Y C 0.200 176.024 175.900 -0.126 0.000 1.156 575 Y CA 0.833 58.871 58.100 -0.103 0.000 1.419 575 Y CB 0.277 38.691 38.460 -0.077 0.000 1.250 575 Y HN 0.238 nan 8.280 nan 0.000 0.540 576 K N 3.910 123.693 120.400 -1.029 0.000 2.482 576 K HA 0.289 4.619 4.320 0.016 0.000 0.257 576 K C -1.346 174.575 176.600 -1.130 0.000 0.969 576 K CA -0.815 54.995 56.287 -0.795 0.000 0.842 576 K CB 1.138 33.379 32.500 -0.431 0.000 1.359 576 K HN 0.565 nan 8.250 nan 0.000 0.441 577 D N 1.914 122.011 120.400 -0.505 0.000 2.423 577 D HA 0.032 4.682 4.640 0.016 0.000 0.238 577 D C -0.094 176.012 176.300 -0.323 0.000 1.142 577 D CA 0.764 54.595 54.000 -0.282 0.000 0.884 577 D CB 0.338 41.108 40.800 -0.050 0.000 1.199 577 D HN 0.519 nan 8.370 nan 0.000 0.438 578 N N 1.154 119.692 118.700 -0.270 0.000 2.747 578 N HA -0.232 4.518 4.740 0.016 0.000 0.249 578 N C -0.532 174.783 175.510 -0.326 0.000 1.107 578 N CA 0.489 53.381 53.050 -0.263 0.000 0.707 578 N CB -0.935 37.440 38.487 -0.185 0.000 1.054 578 N HN 0.450 nan 8.380 nan 0.000 0.555 579 R N 0.692 120.885 120.500 -0.511 0.000 3.256 579 R HA 0.343 4.693 4.340 0.016 0.000 0.263 579 R C 1.209 177.176 176.300 -0.554 0.000 1.388 579 R CA -0.222 55.411 56.100 -0.780 0.000 1.580 579 R CB 0.359 29.829 30.300 -1.383 0.000 1.255 579 R HN 0.205 nan 8.270 nan 0.000 0.640 580 L N 0.243 121.244 121.223 -0.370 0.000 2.349 580 L HA 0.190 4.540 4.340 0.016 0.000 0.200 580 L C -0.131 176.620 176.870 -0.198 0.000 1.064 580 L CA 0.640 55.166 54.840 -0.524 0.000 0.821 580 L CB 0.252 41.538 42.059 -1.287 0.000 1.027 580 L HN 0.314 nan 8.230 nan 0.000 0.476 581 Y N 0.672 121.151 120.300 0.298 0.000 2.402 581 Y HA 0.295 4.855 4.550 0.016 0.000 0.332 581 Y C -1.704 174.207 175.900 0.019 0.000 0.960 581 Y CA -3.343 54.827 58.100 0.116 0.000 1.228 581 Y CB 0.233 38.670 38.460 -0.038 0.000 1.120 581 Y HN -0.068 nan 8.280 nan 0.000 0.491 582 P HA -0.012 nan 4.420 nan 0.000 0.233 582 P C 0.518 177.733 177.300 -0.142 0.000 1.167 582 P CA 0.763 63.620 63.100 -0.405 0.000 0.770 582 P CB 0.571 31.965 31.700 -0.510 0.000 0.837 583 S N -0.577 115.158 115.700 0.057 0.000 2.582 583 S HA 0.477 4.956 4.470 0.016 0.000 0.234 583 S C 0.904 175.433 174.600 -0.119 0.000 0.961 583 S CA 0.307 58.617 58.200 0.182 0.000 0.953 583 S CB -0.297 63.146 63.200 0.406 0.000 0.800 583 S HN 0.489 nan 8.310 nan 0.000 0.471 584 G N 1.505 110.159 108.800 -0.242 0.000 2.707 584 G HA2 -0.155 3.814 3.960 0.016 0.000 0.686 584 G HA3 -0.155 3.814 3.960 0.016 0.000 0.686 584 G C -0.381 174.421 174.900 -0.163 0.000 1.315 584 G CA -0.386 44.520 45.100 -0.323 0.000 0.832 584 G HN 0.213 nan 8.290 nan 0.000 0.573 585 D N -0.096 120.183 120.400 -0.201 0.000 2.149 585 D HA 0.046 4.695 4.640 0.016 0.000 0.201 585 D C 0.828 176.827 176.300 -0.502 0.000 0.972 585 D CA 1.415 55.241 54.000 -0.289 0.000 0.835 585 D CB -0.005 40.569 40.800 -0.377 0.000 0.966 585 D HN 0.477 nan 8.370 nan 0.000 0.476 586 H N 0.276 119.313 119.070 -0.056 0.000 2.792 586 H HA 0.259 4.825 4.556 0.016 0.000 0.298 586 H C 0.885 176.196 175.328 -0.028 0.000 1.042 586 H CA -0.312 55.720 56.048 -0.026 0.000 1.300 586 H CB 1.670 31.427 29.762 -0.007 0.000 1.431 586 H HN -0.207 nan 8.280 nan 0.000 0.496 587 V N 4.075 124.034 119.914 0.076 0.000 2.379 587 V HA -0.003 4.127 4.120 0.016 0.000 0.243 587 V C -1.623 174.573 176.094 0.170 0.000 1.035 587 V CA 0.467 62.834 62.300 0.113 0.000 1.035 587 V CB -0.882 30.974 31.823 0.055 0.000 0.673 587 V HN 0.458 nan 8.190 nan 0.000 0.457 588 P HA 0.038 nan 4.420 nan 0.000 0.262 588 P C 0.268 177.680 177.300 0.186 0.000 1.182 588 P CA 0.882 64.040 63.100 0.097 0.000 0.761 588 P CB 0.119 31.842 31.700 0.038 0.000 0.795 589 Q N -1.506 118.437 119.800 0.238 0.000 2.324 589 Q HA -0.230 4.119 4.340 0.016 0.000 0.200 589 Q C -0.227 176.038 176.000 0.441 0.000 0.645 589 Q CA 0.509 56.519 55.803 0.345 0.000 1.377 589 Q CB -1.856 27.028 28.738 0.243 0.000 1.486 589 Q HN 0.525 nan 8.270 nan 0.000 0.796 590 W N 2.328 123.704 121.300 0.127 0.000 2.251 590 W HA 0.226 4.895 4.660 0.015 0.000 0.327 590 W C 1.270 177.675 176.519 -0.190 0.000 1.361 590 W CA 0.291 57.645 57.345 0.014 0.000 1.234 590 W CB 0.489 29.944 29.460 -0.007 0.000 1.212 590 W HN 0.155 nan 8.180 nan 0.000 0.557 591 S N 3.586 118.855 115.700 -0.718 0.000 2.481 591 S HA 0.079 4.559 4.470 0.016 0.000 0.231 591 S C 1.629 175.429 174.600 -1.333 0.000 0.996 591 S CA 0.835 58.171 58.200 -1.440 0.000 0.942 591 S CB -0.424 62.195 63.200 -0.969 0.000 0.768 591 S HN 1.703 nan 8.310 nan 0.000 0.520 592 G N 0.803 108.330 108.800 -2.122 0.000 2.175 592 G HA2 -0.180 3.789 3.960 0.016 0.000 0.244 592 G HA3 -0.180 3.789 3.960 0.016 0.000 0.244 592 G C -0.463 173.831 174.900 -1.010 0.000 0.982 592 G CA 0.103 43.969 45.100 -2.057 0.000 0.641 592 G HN 0.582 nan 8.290 nan 0.000 0.527 593 D N 1.137 121.183 120.400 -0.591 0.000 2.225 593 D HA 0.552 5.201 4.640 0.016 0.000 0.248 593 D C 0.722 177.167 176.300 0.241 0.000 1.096 593 D CA 1.395 55.322 54.000 -0.121 0.000 0.863 593 D CB 1.369 42.107 40.800 -0.102 0.000 1.156 593 D HN 1.366 nan 8.370 nan 0.000 0.450 594 G N 0.175 109.098 108.800 0.205 0.000 2.375 594 G HA2 -0.071 3.898 3.960 0.016 0.000 0.663 594 G HA3 -0.071 3.898 3.960 0.016 0.000 0.663 594 G C -1.011 173.986 174.900 0.162 0.000 1.391 594 G CA -1.004 44.220 45.100 0.207 0.000 0.949 594 G HN 0.331 nan 8.290 nan 0.000 0.646 595 V N 2.292 122.237 119.914 0.052 0.000 2.299 595 V HA 0.610 4.740 4.120 0.016 0.000 0.255 595 V C 0.807 176.851 176.094 -0.084 0.000 1.100 595 V CA 0.573 62.868 62.300 -0.009 0.000 0.938 595 V CB -0.383 31.434 31.823 -0.009 0.000 1.139 595 V HN 1.008 nan 8.190 nan 0.000 0.490 596 R N 2.640 123.041 120.500 -0.165 0.000 2.781 596 R HA 0.835 5.185 4.340 0.016 0.000 0.269 596 R C 0.496 176.498 176.300 -0.497 0.000 1.025 596 R CA -0.125 55.779 56.100 -0.328 0.000 0.914 596 R CB 1.199 31.216 30.300 -0.472 0.000 1.236 596 R HN 0.729 nan 8.270 nan 0.000 0.465 597 G N 1.259 109.660 108.800 -0.664 0.000 2.594 597 G HA2 -0.439 3.531 3.960 0.016 0.000 0.297 597 G HA3 -0.439 3.531 3.960 0.016 0.000 0.297 597 G C 0.574 174.373 174.900 -1.836 0.000 1.273 597 G CA 0.896 45.309 45.100 -1.145 0.000 0.974 597 G HN 0.759 nan 8.290 nan 0.000 0.552 598 M N 0.537 119.304 119.600 -1.388 0.000 2.202 598 M HA -0.009 4.480 4.480 0.016 0.000 0.262 598 M C 2.396 178.422 176.300 -0.457 0.000 1.063 598 M CA 2.754 57.516 55.300 -0.897 0.000 1.097 598 M CB -0.551 31.820 32.600 -0.382 0.000 1.382 598 M HN 0.619 nan 8.290 nan 0.000 0.413 599 R N -0.444 119.854 120.500 -0.337 0.000 2.092 599 R HA -0.181 4.169 4.340 0.016 0.000 0.231 599 R C 2.223 178.430 176.300 -0.155 0.000 1.119 599 R CA 1.873 57.876 56.100 -0.163 0.000 0.970 599 R CB -0.352 29.909 30.300 -0.066 0.000 0.864 599 R HN 0.659 nan 8.270 nan 0.000 0.440 600 E N -0.408 119.637 120.200 -0.257 0.000 2.047 600 E HA -0.188 4.171 4.350 0.016 0.000 0.191 600 E C 1.413 178.042 176.600 0.049 0.000 0.987 600 E CA 1.228 57.559 56.400 -0.115 0.000 0.799 600 E CB -0.091 29.534 29.700 -0.125 0.000 0.752 600 E HN 0.410 nan 8.360 nan 0.000 0.449 601 W N 0.611 121.863 121.300 -0.080 0.000 2.388 601 W HA -0.042 4.627 4.660 0.015 0.000 0.294 601 W C 2.110 178.591 176.519 -0.063 0.000 1.212 601 W CA 0.247 57.542 57.345 -0.084 0.000 1.271 601 W CB -0.881 28.506 29.460 -0.123 0.000 1.126 601 W HN 0.168 nan 8.180 nan 0.000 0.535 602 I N 0.011 120.653 120.570 0.120 0.000 2.353 602 I HA -0.080 4.099 4.170 0.016 0.000 0.248 602 I C 2.162 178.299 176.117 0.034 0.000 1.119 602 I CA 1.311 62.640 61.300 0.049 0.000 1.417 602 I CB -1.075 36.920 38.000 -0.008 0.000 1.078 602 I HN 0.081 nan 8.210 nan 0.000 0.421 603 G N 2.359 111.175 108.800 0.027 0.000 2.634 603 G HA2 -0.439 3.531 3.960 0.016 0.000 0.309 603 G HA3 -0.439 3.531 3.960 0.016 0.000 0.309 603 G C 0.533 175.438 174.900 0.009 0.000 1.265 603 G CA 0.750 45.863 45.100 0.021 0.000 0.998 603 G HN 0.533 nan 8.290 nan 0.000 0.551 604 D N 1.228 121.635 120.400 0.011 0.000 2.340 604 D HA 0.377 5.027 4.640 0.016 0.000 0.220 604 D C 1.802 178.104 176.300 0.003 0.000 1.039 604 D CA 1.196 55.199 54.000 0.006 0.000 0.866 604 D CB -0.407 40.399 40.800 0.009 0.000 0.913 604 D HN 2.180 nan 8.370 nan 0.000 0.523 605 G N 0.190 108.992 108.800 0.003 0.000 2.179 605 G HA2 -0.358 3.612 3.960 0.016 0.000 0.260 605 G HA3 -0.358 3.612 3.960 0.016 0.000 0.260 605 G C 1.110 176.013 174.900 0.004 0.000 0.977 605 G CA 0.811 45.907 45.100 -0.006 0.000 0.641 605 G HN 0.711 nan 8.290 nan 0.000 0.533 606 S N -0.598 115.111 115.700 0.014 0.000 2.524 606 S HA 0.326 4.805 4.470 0.016 0.000 0.216 606 S C 0.623 175.241 174.600 0.029 0.000 0.987 606 S CA 0.639 58.852 58.200 0.021 0.000 0.909 606 S CB 0.397 63.609 63.200 0.020 0.000 0.781 606 S HN 0.608 nan 8.310 nan 0.000 0.521 607 E N 2.456 122.675 120.200 0.031 0.000 2.392 607 E HA 0.177 4.536 4.350 0.016 0.000 0.264 607 E C -0.277 176.350 176.600 0.045 0.000 1.024 607 E CA -0.413 56.009 56.400 0.037 0.000 0.903 607 E CB 0.276 29.998 29.700 0.037 0.000 0.963 607 E HN 0.386 nan 8.360 nan 0.000 0.432 608 N N 2.458 121.187 118.700 0.047 0.000 2.454 608 N HA -0.018 4.731 4.740 0.016 0.000 0.260 608 N C 0.012 175.562 175.510 0.066 0.000 1.218 608 N CA 0.330 53.414 53.050 0.057 0.000 0.904 608 N CB 0.367 38.884 38.487 0.050 0.000 1.065 608 N HN 0.534 nan 8.380 nan 0.000 0.462 609 I N -1.746 118.875 120.570 0.085 0.000 4.102 609 I HA 0.421 4.601 4.170 0.016 0.000 0.325 609 I C -0.326 175.845 176.117 0.090 0.000 1.471 609 I CA -0.533 60.825 61.300 0.098 0.000 1.133 609 I CB 0.281 38.358 38.000 0.128 0.000 1.184 609 I HN 0.244 nan 8.210 nan 0.000 0.451 610 D N 2.607 123.052 120.400 0.076 0.000 2.274 610 D HA 0.176 4.825 4.640 0.016 0.000 0.239 610 D C 0.264 176.576 176.300 0.020 0.000 1.104 610 D CA 0.090 54.121 54.000 0.051 0.000 0.840 610 D CB 0.567 41.416 40.800 0.083 0.000 1.100 610 D HN 0.244 nan 8.370 nan 0.000 0.477 611 N N 2.436 121.118 118.700 -0.029 0.000 2.681 611 N HA -0.221 4.529 4.740 0.016 0.000 0.259 611 N C -1.369 174.139 175.510 -0.004 0.000 1.066 611 N CA 1.218 54.253 53.050 -0.025 0.000 0.717 611 N CB -0.924 37.566 38.487 0.005 0.000 0.885 611 N HN 0.524 nan 8.380 nan 0.000 0.547 612 T N -0.748 113.803 114.554 -0.004 0.000 2.648 612 T HA 0.319 4.678 4.350 0.016 0.000 0.304 612 T C -1.896 172.813 174.700 0.014 0.000 1.312 612 T CA -0.582 61.525 62.100 0.012 0.000 1.023 612 T CB 0.706 69.592 68.868 0.030 0.000 1.612 612 T HN 0.065 nan 8.240 nan 0.000 0.487 613 D N 2.373 122.789 120.400 0.027 0.000 2.316 613 D HA 0.477 5.127 4.640 0.016 0.000 0.245 613 D C 0.188 176.551 176.300 0.105 0.000 1.171 613 D CA 0.047 54.065 54.000 0.030 0.000 0.856 613 D CB 0.432 41.231 40.800 -0.000 0.000 1.090 613 D HN 0.625 nan 8.370 nan 0.000 0.476 614 I N -1.757 118.878 120.570 0.108 0.000 3.108 614 I HA 0.621 4.801 4.170 0.016 0.000 0.312 614 I C -1.141 175.081 176.117 0.174 0.000 1.095 614 I CA -1.177 60.210 61.300 0.145 0.000 1.000 614 I CB 1.914 39.998 38.000 0.140 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.566 123.897 121.223 0.180 0.000 2.386 615 L HA 0.517 4.866 4.340 0.016 0.000 0.271 615 L C -1.453 175.555 176.870 0.231 0.000 0.993 615 L CA -0.447 54.482 54.840 0.149 0.000 0.819 615 L CB 2.473 44.617 42.059 0.143 0.000 1.294 615 L HN 0.573 nan 8.230 nan 0.000 0.414 616 F N 3.103 123.021 119.950 -0.053 0.000 2.445 616 F HA 0.542 5.078 4.527 0.015 0.000 0.348 616 F C -1.159 174.580 175.800 -0.101 0.000 1.125 616 F CA -0.457 57.558 58.000 0.025 0.000 0.983 616 F CB 0.823 39.825 39.000 0.003 0.000 1.198 616 F HN 0.165 nan 8.300 nan 0.000 0.436 617 F N 5.186 125.182 119.950 0.077 0.000 2.411 617 F HA 0.291 4.827 4.527 0.015 0.000 0.352 617 F C -0.303 175.578 175.800 0.136 0.000 1.123 617 F CA -0.663 57.420 58.000 0.138 0.000 1.044 617 F CB 0.943 40.011 39.000 0.112 0.000 1.135 617 F HN 0.455 nan 8.300 nan 0.000 0.461 618 H N 1.609 120.853 119.070 0.290 0.000 2.481 618 H HA 0.451 5.017 4.556 0.016 0.000 0.333 618 H C -0.890 174.661 175.328 0.371 0.000 1.066 618 H CA -0.649 55.545 56.048 0.243 0.000 1.209 618 H CB 1.320 31.240 29.762 0.262 0.000 1.445 618 H HN 0.499 nan 8.280 nan 0.000 0.488 619 T N 7.363 121.902 114.554 -0.026 0.000 2.767 619 T HA 0.429 4.788 4.350 0.016 0.000 0.288 619 T C -0.854 173.764 174.700 -0.138 0.000 0.963 619 T CA -0.314 61.835 62.100 0.083 0.000 1.019 619 T CB -0.285 68.730 68.868 0.245 0.000 0.923 619 T HN 0.487 nan 8.240 nan 0.000 0.468 620 F N 0.265 120.144 119.950 -0.118 0.000 2.715 620 F HA 0.962 5.498 4.527 0.015 0.000 0.318 620 F C 0.161 176.101 175.800 0.233 0.000 1.141 620 F CA -0.820 57.158 58.000 -0.036 0.000 0.950 620 F CB 1.077 40.021 39.000 -0.093 0.000 1.374 620 F HN 0.885 nan 8.300 nan 0.000 0.477 621 G N 0.327 109.256 108.800 0.215 0.000 2.334 621 G HA2 0.418 4.388 3.960 0.016 0.000 0.249 621 G HA3 0.418 4.388 3.960 0.016 0.000 0.249 621 G C -1.960 173.060 174.900 0.201 0.000 1.327 621 G CA -0.329 44.910 45.100 0.231 0.000 0.979 621 G HN 1.580 nan 8.290 nan 0.000 0.471 622 I N -3.009 117.670 120.570 0.182 0.000 3.095 622 I HA 0.864 5.043 4.170 0.016 0.000 0.310 622 I C -0.729 175.417 176.117 0.048 0.000 1.196 622 I CA -1.055 60.313 61.300 0.113 0.000 0.985 622 I CB 2.293 40.345 38.000 0.087 0.000 1.250 622 I HN 0.487 nan 8.210 nan 0.000 0.446 623 T N 1.197 115.737 114.554 -0.023 0.000 2.770 623 T HA 0.338 4.698 4.350 0.016 0.000 0.283 623 T C -1.021 173.510 174.700 -0.282 0.000 0.988 623 T CA -0.164 61.822 62.100 -0.190 0.000 0.957 623 T CB 0.183 68.959 68.868 -0.153 0.000 0.930 623 T HN 0.642 nan 8.240 nan 0.000 0.443 624 H N 2.898 121.595 119.070 -0.622 0.000 2.581 624 H HA 0.432 4.998 4.556 0.016 0.000 0.308 624 H C -1.162 173.743 175.328 -0.705 0.000 1.040 624 H CA -1.117 54.595 56.048 -0.559 0.000 1.231 624 H CB 0.312 29.694 29.762 -0.635 0.000 1.396 624 H HN 0.428 nan 8.280 nan 0.000 0.467 625 F N 6.704 126.751 119.950 0.162 0.000 2.308 625 F HA 0.285 4.821 4.527 0.016 0.000 0.370 625 F C -1.979 173.914 175.800 0.155 0.000 1.100 625 F CA -2.487 55.566 58.000 0.088 0.000 1.108 625 F CB 0.768 39.808 39.000 0.067 0.000 1.293 625 F HN 0.521 nan 8.300 nan 0.000 0.478 626 P HA 0.272 nan 4.420 nan 0.000 0.267 626 P C -0.689 176.719 177.300 0.180 0.000 1.200 626 P CA 0.006 63.189 63.100 0.138 0.000 0.772 626 P CB 0.865 32.573 31.700 0.013 0.000 0.855 627 A N 3.886 126.820 122.820 0.189 0.000 2.527 627 A HA 0.619 4.949 4.320 0.016 0.000 0.293 627 A C -2.112 175.556 177.584 0.139 0.000 1.117 627 A CA -1.472 50.648 52.037 0.137 0.000 0.723 627 A CB 0.698 19.774 19.000 0.128 0.000 1.313 627 A HN 0.249 nan 8.150 nan 0.000 0.411 628 P HA -0.129 nan 4.420 nan 0.000 0.219 628 P C 0.729 178.134 177.300 0.175 0.000 1.146 628 P CA 1.436 64.627 63.100 0.152 0.000 0.808 628 P CB 0.252 32.024 31.700 0.121 0.000 0.779 629 E N -0.579 119.699 120.200 0.130 0.000 2.267 629 E HA -0.173 4.187 4.350 0.016 0.000 0.197 629 E C 1.262 177.930 176.600 0.112 0.000 0.998 629 E CA 1.070 57.532 56.400 0.103 0.000 0.830 629 E CB -0.709 29.036 29.700 0.075 0.000 0.751 629 E HN 0.329 nan 8.360 nan 0.000 0.491 630 D N -1.061 119.438 120.400 0.165 0.000 2.355 630 D HA 0.002 4.651 4.640 0.016 0.000 0.218 630 D C -0.327 176.098 176.300 0.208 0.000 1.004 630 D CA 0.396 54.504 54.000 0.180 0.000 0.880 630 D CB 0.135 41.098 40.800 0.272 0.000 0.911 630 D HN 0.060 nan 8.370 nan 0.000 0.528 631 F N 0.932 120.902 119.950 0.033 0.000 2.546 631 F HA 0.321 4.857 4.527 0.016 0.000 0.320 631 F C -1.725 174.083 175.800 0.014 0.000 1.076 631 F CA -2.353 55.658 58.000 0.019 0.000 0.928 631 F CB 2.129 41.157 39.000 0.048 0.000 1.189 631 F HN -0.306 nan 8.300 nan 0.000 0.465 632 P HA 0.051 nan 4.420 nan 0.000 0.241 632 P C -0.701 176.237 177.300 -0.602 0.000 1.191 632 P CA 0.714 63.067 63.100 -1.246 0.000 0.771 632 P CB 0.661 31.896 31.700 -0.775 0.000 0.929 633 L N -0.299 120.679 121.223 -0.409 0.000 2.436 633 L HA 0.511 4.861 4.340 0.016 0.000 0.268 633 L C -0.777 175.939 176.870 -0.257 0.000 0.974 633 L CA -1.320 53.240 54.840 -0.467 0.000 0.826 633 L CB 2.186 43.733 42.059 -0.854 0.000 1.291 633 L HN -0.247 nan 8.230 nan 0.000 0.406 634 M N 6.811 126.297 119.600 -0.190 0.000 2.146 634 M HA 0.513 5.003 4.480 0.016 0.000 0.357 634 M C -2.244 173.987 176.300 -0.116 0.000 1.261 634 M CA -1.394 53.853 55.300 -0.088 0.000 1.106 634 M CB 1.179 33.767 32.600 -0.020 0.000 1.612 634 M HN 0.437 nan 8.290 nan 0.000 0.470 635 P HA 0.083 nan 4.420 nan 0.000 0.268 635 P C -1.195 176.050 177.300 -0.092 0.000 1.205 635 P CA -0.124 62.925 63.100 -0.085 0.000 0.771 635 P CB 0.455 32.121 31.700 -0.056 0.000 0.858 636 A N 2.473 125.236 122.820 -0.095 0.000 2.546 636 A HA 0.043 4.373 4.320 0.016 0.000 0.243 636 A C 0.400 177.926 177.584 -0.097 0.000 1.063 636 A CA 0.274 52.252 52.037 -0.099 0.000 0.757 636 A CB -0.553 18.401 19.000 -0.077 0.000 0.991 636 A HN 0.605 nan 8.150 nan 0.000 0.503 637 E N 3.786 123.914 120.200 -0.121 0.000 2.133 637 E HA 0.491 4.851 4.350 0.016 0.000 0.274 637 E C -2.618 173.924 176.600 -0.098 0.000 0.930 637 E CA -2.209 54.118 56.400 -0.121 0.000 0.770 637 E CB 1.515 31.107 29.700 -0.180 0.000 1.104 637 E HN 0.487 nan 8.360 nan 0.000 0.403 638 P HA 0.322 nan 4.420 nan 0.000 0.286 638 P C -0.760 176.516 177.300 -0.039 0.000 1.261 638 P CA -0.284 62.781 63.100 -0.059 0.000 0.821 638 P CB 1.202 32.865 31.700 -0.062 0.000 1.013 639 I N 0.645 121.195 120.570 -0.033 0.000 2.619 639 I HA 0.532 4.711 4.170 0.016 0.000 0.292 639 I C -0.016 176.076 176.117 -0.042 0.000 1.100 639 I CA -0.505 60.799 61.300 0.006 0.000 1.043 639 I CB 2.607 40.644 38.000 0.061 0.000 1.239 639 I HN 0.260 nan 8.210 nan 0.000 0.420 640 T N 5.794 120.314 114.554 -0.056 0.000 2.894 640 T HA 0.823 5.183 4.350 0.016 0.000 0.309 640 T C -1.730 172.855 174.700 -0.193 0.000 1.208 640 T CA -0.474 61.540 62.100 -0.145 0.000 1.016 640 T CB 1.563 70.359 68.868 -0.119 0.000 1.192 640 T HN 0.535 nan 8.240 nan 0.000 0.491 641 L N 1.181 122.235 121.223 -0.282 0.000 2.469 641 L HA 0.926 5.275 4.340 0.016 0.000 0.256 641 L C -1.131 175.615 176.870 -0.208 0.000 1.006 641 L CA -1.011 53.674 54.840 -0.258 0.000 0.832 641 L CB 2.176 43.989 42.059 -0.410 0.000 1.421 641 L HN 0.811 nan 8.230 nan 0.000 0.410 642 M N 1.926 121.446 119.600 -0.133 0.000 2.501 642 M HA 0.689 5.178 4.480 0.016 0.000 0.293 642 M C -2.143 174.136 176.300 -0.035 0.000 1.192 642 M CA -0.600 54.649 55.300 -0.085 0.000 0.886 642 M CB 2.411 34.981 32.600 -0.049 0.000 1.710 642 M HN 0.737 nan 8.290 nan 0.000 0.457 643 L N 4.226 125.467 121.223 0.030 0.000 2.316 643 L HA 0.573 4.923 4.340 0.016 0.000 0.280 643 L C -0.799 176.198 176.870 0.213 0.000 1.006 643 L CA -0.407 54.533 54.840 0.166 0.000 0.836 643 L CB 1.563 43.796 42.059 0.290 0.000 1.221 643 L HN 0.687 nan 8.230 nan 0.000 0.418 644 R N 4.293 124.816 120.500 0.037 0.000 2.514 644 R HA 0.480 4.830 4.340 0.016 0.000 0.301 644 R C -2.557 173.400 176.300 -0.571 0.000 0.962 644 R CA -1.909 54.097 56.100 -0.156 0.000 0.882 644 R CB 1.612 31.860 30.300 -0.086 0.000 1.143 644 R HN 0.256 nan 8.270 nan 0.000 0.452 645 P HA 0.100 nan 4.420 nan 0.000 0.271 645 P C -0.950 176.140 177.300 -0.351 0.000 1.220 645 P CA -0.151 62.343 63.100 -1.009 0.000 0.768 645 P CB 0.847 32.172 31.700 -0.625 0.000 0.848 646 R N 3.030 123.404 120.500 -0.211 0.000 2.514 646 R HA 0.265 4.614 4.340 0.016 0.000 0.296 646 R C 0.613 176.928 176.300 0.024 0.000 1.012 646 R CA -0.661 55.370 56.100 -0.116 0.000 0.897 646 R CB 0.328 30.611 30.300 -0.029 0.000 1.184 646 R HN 0.671 nan 8.270 nan 0.000 0.440 647 H N 0.940 120.025 119.070 0.025 0.000 3.395 647 H HA -0.233 4.334 4.556 0.017 0.000 0.222 647 H C 0.809 176.135 175.328 -0.004 0.000 1.099 647 H CA 1.302 57.360 56.048 0.017 0.000 1.182 647 H CB -1.157 28.605 29.762 -0.001 0.000 1.188 647 H HN 0.545 nan 8.280 nan 0.000 0.317 648 F N 0.589 120.459 119.950 -0.133 0.000 2.149 648 F HA 0.114 4.651 4.527 0.015 0.000 0.294 648 F C 1.025 176.549 175.800 -0.460 0.000 1.095 648 F CA 0.848 58.651 58.000 -0.330 0.000 1.276 648 F CB 0.191 38.870 39.000 -0.536 0.000 1.023 648 F HN -0.060 nan 8.300 nan 0.000 0.480 649 F N -0.459 119.548 119.950 0.094 0.000 2.450 649 F HA 0.254 4.791 4.527 0.017 0.000 0.328 649 F C 1.610 177.372 175.800 -0.063 0.000 1.068 649 F CA -0.248 57.745 58.000 -0.012 0.000 1.007 649 F CB 0.761 39.765 39.000 0.006 0.000 1.251 649 F HN -0.235 nan 8.300 nan 0.000 0.492 650 T N -3.120 111.494 114.554 0.099 0.000 3.060 650 T HA 0.225 4.584 4.350 0.016 0.000 0.249 650 T C -0.095 174.665 174.700 0.101 0.000 1.079 650 T CA 0.186 62.261 62.100 -0.042 0.000 1.013 650 T CB -0.583 68.033 68.868 -0.421 0.000 0.975 650 T HN 0.730 nan 8.240 nan 0.000 0.518 651 E N 0.223 120.485 120.200 0.102 0.000 2.429 651 E HA 0.295 4.655 4.350 0.016 0.000 0.280 651 E C -1.359 175.227 176.600 -0.023 0.000 1.068 651 E CA -1.202 55.230 56.400 0.053 0.000 0.837 651 E CB 0.161 29.887 29.700 0.044 0.000 1.357 651 E HN -0.107 nan 8.360 nan 0.000 0.455 652 N N 2.098 120.748 118.700 -0.084 0.000 2.315 652 N HA -0.014 4.735 4.740 0.016 0.000 0.270 652 N C -1.373 174.022 175.510 -0.193 0.000 1.329 652 N CA -1.125 51.836 53.050 -0.149 0.000 0.860 652 N CB 0.698 39.055 38.487 -0.215 0.000 1.095 652 N HN 0.394 nan 8.380 nan 0.000 0.487 653 P HA 0.053 nan 4.420 nan 0.000 0.237 653 P C 0.802 178.017 177.300 -0.141 0.000 1.178 653 P CA 0.541 63.392 63.100 -0.415 0.000 0.766 653 P CB 0.071 31.115 31.700 -1.094 0.000 0.876 654 G N -0.216 108.570 108.800 -0.022 0.000 3.042 654 G HA2 0.028 3.997 3.960 0.016 0.000 0.212 654 G HA3 0.028 3.997 3.960 0.016 0.000 0.212 654 G C 1.306 176.353 174.900 0.246 0.000 1.166 654 G CA -0.143 45.053 45.100 0.159 0.000 0.767 654 G HN 0.195 nan 8.290 nan 0.000 0.546 655 L N 1.154 122.424 121.223 0.079 0.000 2.362 655 L HA 0.015 4.364 4.340 0.016 0.000 0.219 655 L C 1.916 178.847 176.870 0.102 0.000 1.134 655 L CA 0.923 55.790 54.840 0.045 0.000 0.807 655 L CB -0.040 41.953 42.059 -0.111 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.151 120.310 120.400 0.102 0.000 2.328 656 D HA 0.015 4.664 4.640 0.016 0.000 0.226 656 D C 0.677 177.020 176.300 0.072 0.000 1.066 656 D CA -0.021 54.033 54.000 0.090 0.000 0.861 656 D CB -0.178 40.700 40.800 0.130 0.000 0.912 656 D HN 0.205 nan 8.370 nan 0.000 0.521 657 I N 1.738 122.365 120.570 0.095 0.000 2.496 657 I HA -0.020 4.159 4.170 0.016 0.000 0.285 657 I C 0.777 176.931 176.117 0.063 0.000 1.080 657 I CA -0.500 60.834 61.300 0.056 0.000 1.404 657 I CB 0.674 38.700 38.000 0.042 0.000 1.403 657 I HN -0.201 nan 8.210 nan 0.000 0.539 658 Q N 7.031 126.849 119.800 0.030 0.000 2.263 658 Q HA 0.117 4.466 4.340 0.016 0.000 0.289 658 Q C -2.131 173.886 176.000 0.028 0.000 1.061 658 Q CA -1.245 54.575 55.803 0.028 0.000 0.927 658 Q CB -0.057 28.689 28.738 0.013 0.000 1.154 658 Q HN 0.318 nan 8.270 nan 0.000 0.378 659 P HA 0.034 nan 4.420 nan 0.000 0.269 659 P C 0.278 177.599 177.300 0.034 0.000 1.215 659 P CA 0.052 63.178 63.100 0.044 0.000 0.780 659 P CB 0.689 32.423 31.700 0.058 0.000 0.898 660 S N -0.176 115.548 115.700 0.042 0.000 2.406 660 S HA -0.034 4.445 4.470 0.016 0.000 0.228 660 S C 0.132 174.826 174.600 0.157 0.000 1.020 660 S CA 1.141 59.383 58.200 0.069 0.000 0.965 660 S CB -0.405 62.822 63.200 0.046 0.000 0.798 660 S HN 0.588 nan 8.310 nan 0.000 0.488 661 Y N -0.088 120.218 120.300 0.010 0.000 2.482 661 Y HA 0.575 5.134 4.550 0.016 0.000 0.334 661 Y C -1.547 174.373 175.900 0.033 0.000 1.091 661 Y CA -1.181 56.929 58.100 0.018 0.000 1.027 661 Y CB 1.111 39.579 38.460 0.014 0.000 1.306 661 Y HN -0.030 nan 8.280 nan 0.000 0.446 662 A N 5.869 128.298 122.820 -0.651 0.000 2.465 662 A HA 0.745 5.075 4.320 0.016 0.000 0.292 662 A C -2.022 175.216 177.584 -0.577 0.000 1.041 662 A CA -0.496 51.287 52.037 -0.423 0.000 0.718 662 A CB 1.363 20.265 19.000 -0.162 0.000 1.266 662 A HN 0.733 nan 8.150 nan 0.000 0.403 663 M N 2.684 122.068 119.600 -0.359 0.000 2.213 663 M HA 0.537 5.026 4.480 0.016 0.000 0.286 663 M C 0.155 176.416 176.300 -0.065 0.000 1.008 663 M CA 0.016 55.197 55.300 -0.199 0.000 0.937 663 M CB 1.871 34.410 32.600 -0.100 0.000 1.600 663 M HN 0.941 nan 8.290 nan 0.000 0.450 664 T N 0.575 115.097 114.554 -0.052 0.000 2.788 664 T HA 0.360 4.719 4.350 0.016 0.000 0.280 664 T C 0.878 175.568 174.700 -0.016 0.000 0.984 664 T CA -0.159 61.926 62.100 -0.025 0.000 0.972 664 T CB 0.614 69.466 68.868 -0.027 0.000 1.039 664 T HN 0.697 nan 8.240 nan 0.000 0.530 665 T N 1.352 115.897 114.554 -0.016 0.000 2.746 665 T HA -0.139 4.220 4.350 0.016 0.000 0.267 665 T C 2.399 177.087 174.700 -0.021 0.000 1.039 665 T CA 1.877 63.963 62.100 -0.022 0.000 1.142 665 T CB -0.731 68.118 68.868 -0.032 0.000 0.866 665 T HN 0.873 nan 8.240 nan 0.000 0.444 666 S N 1.719 117.407 115.700 -0.020 0.000 2.368 666 S HA -0.126 4.353 4.470 0.016 0.000 0.225 666 S C 1.889 176.479 174.600 -0.016 0.000 1.030 666 S CA 1.145 59.334 58.200 -0.018 0.000 0.999 666 S CB -0.451 62.738 63.200 -0.018 0.000 0.844 666 S HN 0.576 nan 8.310 nan 0.000 0.459 667 E N 1.731 121.921 120.200 -0.018 0.000 2.072 667 E HA 0.003 4.362 4.350 0.016 0.000 0.191 667 E C 2.418 179.015 176.600 -0.005 0.000 0.985 667 E CA 0.999 57.389 56.400 -0.016 0.000 0.801 667 E CB -0.414 29.268 29.700 -0.030 0.000 0.750 667 E HN 0.718 nan 8.360 nan 0.000 0.452 668 A N 1.391 124.211 122.820 -0.001 0.000 1.969 668 A HA -0.194 4.135 4.320 0.016 0.000 0.218 668 A C 1.902 179.488 177.584 0.002 0.000 1.169 668 A CA 1.256 53.299 52.037 0.010 0.000 0.635 668 A CB -0.189 18.819 19.000 0.013 0.000 0.810 668 A HN 0.033 nan 8.150 nan 0.000 0.445 669 K N -0.671 119.725 120.400 -0.007 0.000 2.057 669 K HA -0.064 4.265 4.320 0.016 0.000 0.206 669 K C 2.308 178.904 176.600 -0.005 0.000 1.050 669 K CA 1.207 57.488 56.287 -0.009 0.000 0.935 669 K CB -0.176 32.316 32.500 -0.014 0.000 0.715 669 K HN 0.346 nan 8.250 nan 0.000 0.439 670 R N 0.413 120.910 120.500 -0.005 0.000 2.096 670 R HA -0.056 4.293 4.340 0.016 0.000 0.235 670 R C 2.029 178.330 176.300 0.002 0.000 1.127 670 R CA 1.096 57.195 56.100 -0.003 0.000 0.968 670 R CB -0.249 30.049 30.300 -0.004 0.000 0.861 670 R HN 0.144 nan 8.270 nan 0.000 0.440 671 A N 0.938 123.762 122.820 0.007 0.000 2.264 671 A HA 0.104 4.434 4.320 0.016 0.000 0.207 671 A C 0.520 178.111 177.584 0.012 0.000 1.196 671 A CA 0.395 52.440 52.037 0.014 0.000 0.778 671 A CB -0.307 18.708 19.000 0.025 0.000 0.779 671 A HN 0.108 nan 8.150 nan 0.000 0.483 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.129 4.120 0.016 0.000 0.244 672 V CA 0.000 62.302 62.300 0.004 0.000 1.235 672 V CB 0.000 31.826 31.823 0.004 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556