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 1t6p_1_B DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAGSH LPTTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXSADTRTED DATA SEQUENCE AISLQKALLE HQLCGVLPSS FDSFRLGRGL ENSLPLEVVR GAXTIRVNSL DATA SEQUENCE TRGHSAVRLV VLEALTNFLN HGITPIVPLR GTISXXXDLS PLSYIAAAIS DATA SEQUENCE GHPDSKVHVV HEGKEKILYA REAXALFNLE PVVLGPKEGL GLVNGTAVSA DATA SEQUENCE SXATLALHDA HXLSLLSQSL TAXTVEAXVG HAGSFHPFLH DVTRPHPTQI DATA SEQUENCE EVAGNIRKLL EGSRFAVHHE XXXXXXXXXX XXXXDRYPLR TSPQWLGPLV DATA SEQUENCE SDLIHAHAVL TIEAGQSTTD NPLIDVENKT SHHGGNFQAA AVANTXEKTR DATA SEQUENCE LGLAQIGKLN FTQLTEXLNA GXNRGLPSCL AAEDPSLSYH CKGLDIAAAA DATA SEQUENCE YTSELGHLAN PVTTHVQPAE XANQAVNSLA LISARRTTES NDVLSLLLAT DATA SEQUENCE HLYCVLQAID LRAIEFEFKK QFGPAIVSLI DQHFGSAXTG SNLRDELVEK DATA SEQUENCE VNKTLAKRLE QTNSYDLVPR WHDAFSFAAG TVVEVLSSTS LSLAAVNAWK DATA SEQUENCE VAAAESAISL TRQVRETFWS AASTSSPALS YLSPRTQILY AFVREELGVK DATA SEQUENCE ARRGDVFLGK QEVTIGSNVS KIYEAIKSGR INNVLLKXLA 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.613 174.600 0.021 0.000 1.055 27 S CA 0.000 58.217 58.200 0.029 0.000 1.107 27 S CB 0.000 63.222 63.200 0.036 0.000 0.593 28 T N 1.905 116.467 114.554 0.013 0.000 3.374 28 T HA 0.394 4.744 4.350 -0.000 0.000 0.267 28 T C 0.204 174.905 174.700 0.001 0.000 0.996 28 T CA -0.224 61.880 62.100 0.007 0.000 0.977 28 T CB -0.332 68.541 68.868 0.007 0.000 1.149 28 T HN 0.320 nan 8.240 nan 0.000 0.517 29 N N 0.945 119.645 118.700 -0.000 0.000 2.250 29 N HA 0.174 4.914 4.740 -0.000 0.000 0.190 29 N C 1.504 177.004 175.510 -0.017 0.000 1.116 29 N CA 0.176 53.222 53.050 -0.007 0.000 0.881 29 N CB 0.226 38.711 38.487 -0.004 0.000 1.006 29 N HN 0.550 nan 8.380 nan 0.000 0.491 30 L N -0.718 120.494 121.223 -0.018 0.000 4.894 30 L HA -0.385 3.955 4.340 -0.000 0.000 0.391 30 L C 1.591 178.428 176.870 -0.055 0.000 0.780 30 L CA 1.467 56.286 54.840 -0.035 0.000 2.289 30 L CB -1.441 40.597 42.059 -0.036 0.000 1.102 30 L HN 0.179 nan 8.230 nan 0.000 0.635 31 A N -0.928 121.860 122.820 -0.052 0.000 1.970 31 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 31 A C 1.853 179.395 177.584 -0.070 0.000 1.170 31 A CA 1.764 53.753 52.037 -0.080 0.000 0.645 31 A CB -0.118 18.845 19.000 -0.061 0.000 0.816 31 A HN 0.324 nan 8.150 nan 0.000 0.447 32 V N -1.507 118.401 119.914 -0.010 0.000 3.506 32 V HA 0.521 4.641 4.120 -0.000 0.000 0.263 32 V C 0.710 176.877 176.094 0.121 0.000 1.203 32 V CA 1.127 63.458 62.300 0.052 0.000 1.133 32 V CB 0.052 31.899 31.823 0.040 0.000 0.802 32 V HN 0.595 nan 8.190 nan 0.000 0.459 33 A N -0.448 122.414 122.820 0.069 0.000 2.411 33 A HA 0.759 5.079 4.320 -0.000 0.000 0.285 33 A C 0.489 178.094 177.584 0.035 0.000 1.129 33 A CA 0.075 52.164 52.037 0.086 0.000 0.736 33 A CB 0.862 19.878 19.000 0.026 0.000 1.186 33 A HN 0.491 nan 8.150 nan 0.000 0.445 34 G N 1.442 110.308 108.800 0.110 0.000 2.379 34 G HA2 0.451 4.411 3.960 -0.000 0.000 0.287 34 G HA3 0.451 4.411 3.960 -0.000 0.000 0.287 34 G C 0.459 175.289 174.900 -0.117 0.000 1.422 34 G CA 0.657 45.741 45.100 -0.026 0.000 1.081 34 G HN 1.944 nan 8.290 nan 0.000 0.569 35 S N -2.790 112.819 115.700 -0.152 0.000 2.607 35 S HA 0.539 5.009 4.470 -0.000 0.000 0.273 35 S C -1.001 173.462 174.600 -0.228 0.000 1.148 35 S CA -0.977 57.079 58.200 -0.240 0.000 0.833 35 S CB 1.754 64.900 63.200 -0.091 0.000 1.130 35 S HN 0.684 nan 8.310 nan 0.000 0.470 36 H N 0.918 120.010 119.070 0.037 0.000 2.495 36 H HA 0.657 5.213 4.556 -0.000 0.000 0.350 36 H C 0.122 175.541 175.328 0.153 0.000 1.202 36 H CA -0.282 55.864 56.048 0.163 0.000 1.322 36 H CB 0.534 30.358 29.762 0.102 0.000 1.544 36 H HN 0.761 nan 8.280 nan 0.000 0.565 37 L N -0.446 120.954 121.223 0.295 0.000 0.622 37 L HA -0.261 4.079 4.340 -0.000 0.000 0.357 37 L C -1.525 175.412 176.870 0.112 0.000 1.005 37 L CA -0.688 54.244 54.840 0.154 0.000 1.222 37 L CB -0.550 41.583 42.059 0.124 0.000 0.023 37 L HN 0.492 nan 8.230 nan 0.000 0.106 38 P HA -0.200 nan 4.420 nan 0.000 0.212 38 P C 0.180 177.512 177.300 0.054 0.000 1.128 38 P CA 2.090 65.234 63.100 0.074 0.000 0.961 38 P CB -0.057 31.692 31.700 0.082 0.000 0.782 39 T N -1.466 113.114 114.554 0.044 0.000 0.554 39 T HA -0.109 4.241 4.350 -0.000 0.000 0.772 39 T C 0.676 175.387 174.700 0.019 0.000 0.992 39 T CA 1.076 63.192 62.100 0.027 0.000 4.069 39 T CB -0.936 67.945 68.868 0.022 0.000 2.298 39 T HN 0.460 nan 8.240 nan 0.000 0.397 40 T N 0.335 114.897 114.554 0.014 0.000 3.235 40 T HA 0.129 4.479 4.350 -0.000 0.000 0.251 40 T C 1.312 176.012 174.700 -0.001 0.000 1.060 40 T CA -0.169 61.936 62.100 0.008 0.000 0.949 40 T CB 0.331 69.206 68.868 0.010 0.000 1.020 40 T HN 0.555 nan 8.240 nan 0.000 0.564 41 Q N 0.543 120.341 119.800 -0.004 0.000 2.392 41 Q HA 0.321 4.660 4.340 -0.000 0.000 0.203 41 Q C 0.213 176.200 176.000 -0.022 0.000 0.917 41 Q CA 0.151 55.947 55.803 -0.010 0.000 0.939 41 Q CB 0.902 29.635 28.738 -0.008 0.000 1.063 41 Q HN 0.510 nan 8.270 nan 0.000 0.516 42 V N 0.952 120.850 119.914 -0.027 0.000 2.697 42 V HA 0.361 4.481 4.120 -0.000 0.000 0.300 42 V C -0.806 175.256 176.094 -0.054 0.000 1.115 42 V CA -0.347 61.925 62.300 -0.047 0.000 0.912 42 V CB 1.866 33.653 31.823 -0.059 0.000 1.024 42 V HN 0.283 nan 8.190 nan 0.000 0.431 43 T N 1.969 116.484 114.554 -0.065 0.000 2.944 43 T HA 0.364 4.714 4.350 -0.000 0.000 0.284 43 T C 0.828 175.460 174.700 -0.114 0.000 1.010 43 T CA 0.211 62.270 62.100 -0.068 0.000 1.025 43 T CB 1.788 70.624 68.868 -0.054 0.000 1.079 43 T HN 0.754 nan 8.240 nan 0.000 0.516 44 Q N -0.058 119.678 119.800 -0.107 0.000 2.096 44 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 44 Q C 2.238 178.115 176.000 -0.205 0.000 0.982 44 Q CA 2.230 57.930 55.803 -0.171 0.000 0.850 44 Q CB -0.493 28.193 28.738 -0.086 0.000 0.901 44 Q HN 0.761 nan 8.270 nan 0.000 0.422 45 V N -1.472 118.362 119.914 -0.133 0.000 2.407 45 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 45 V C 1.497 177.511 176.094 -0.133 0.000 1.055 45 V CA 2.083 64.308 62.300 -0.124 0.000 1.049 45 V CB -0.761 31.012 31.823 -0.083 0.000 0.662 45 V HN 0.183 nan 8.190 nan 0.000 0.455 46 D N 0.869 121.194 120.400 -0.124 0.000 2.116 46 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 46 D C 2.086 178.293 176.300 -0.155 0.000 0.998 46 D CA 2.147 56.077 54.000 -0.116 0.000 0.836 46 D CB -0.308 40.431 40.800 -0.102 0.000 0.951 46 D HN 0.538 nan 8.370 nan 0.000 0.449 47 I N 0.257 120.685 120.570 -0.238 0.000 2.142 47 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 47 I C 2.382 178.328 176.117 -0.284 0.000 1.078 47 I CA 0.661 61.755 61.300 -0.344 0.000 1.343 47 I CB -0.189 37.447 38.000 -0.607 0.000 1.046 47 I HN -0.104 nan 8.210 nan 0.000 0.405 48 V N 0.717 120.450 119.914 -0.301 0.000 2.490 48 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 48 V C 2.430 178.454 176.094 -0.117 0.000 1.061 48 V CA 2.028 64.199 62.300 -0.216 0.000 1.064 48 V CB -0.747 30.953 31.823 -0.206 0.000 0.670 48 V HN 0.502 nan 8.190 nan 0.000 0.461 49 E N 0.204 120.340 120.200 -0.106 0.000 2.051 49 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 49 E C 1.366 177.941 176.600 -0.043 0.000 0.991 49 E CA 0.727 57.087 56.400 -0.066 0.000 0.799 49 E CB 0.120 29.782 29.700 -0.064 0.000 0.748 49 E HN 0.369 nan 8.360 nan 0.000 0.449 53 A N 0.758 123.588 122.820 0.016 0.000 2.345 53 A HA 0.666 4.986 4.320 -0.000 0.000 0.225 53 A C 1.083 178.674 177.584 0.012 0.000 1.243 53 A CA 0.559 52.601 52.037 0.008 0.000 0.875 53 A CB -0.105 18.895 19.000 0.001 0.000 0.929 53 A HN 0.237 nan 8.150 nan 0.000 0.502 54 A N 1.505 124.337 122.820 0.020 0.000 2.454 54 A HA 0.543 4.862 4.320 -0.000 0.000 0.260 54 A C -2.277 175.312 177.584 0.010 0.000 1.106 54 A CA -1.036 51.010 52.037 0.016 0.000 0.780 54 A CB -0.418 18.594 19.000 0.019 0.000 1.044 54 A HN 0.264 nan 8.150 nan 0.000 0.498 55 P HA 0.125 nan 4.420 nan 0.000 0.267 55 P C 0.957 178.259 177.300 0.003 0.000 1.200 55 P CA 0.413 63.517 63.100 0.005 0.000 0.772 55 P CB 0.714 32.418 31.700 0.005 0.000 0.855 56 T N -3.722 110.835 114.554 0.004 0.000 2.969 56 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 56 T C 0.752 175.455 174.700 0.006 0.000 1.021 56 T CA 0.218 62.320 62.100 0.003 0.000 1.003 56 T CB -0.120 68.751 68.868 0.004 0.000 1.040 56 T HN 0.085 nan 8.240 nan 0.000 0.492 57 D N 2.014 122.418 120.400 0.007 0.000 2.414 57 D HA 0.194 4.834 4.640 -0.000 0.000 0.237 57 D C 1.274 177.579 176.300 0.008 0.000 0.975 57 D CA 0.508 54.514 54.000 0.010 0.000 0.917 57 D CB -0.535 40.271 40.800 0.011 0.000 1.061 57 D HN 0.436 nan 8.370 nan 0.000 0.480 58 S N 0.253 115.958 115.700 0.007 0.000 2.560 58 S HA 0.007 4.477 4.470 -0.000 0.000 0.276 58 S C 0.266 174.869 174.600 0.004 0.000 1.350 58 S CA 0.042 58.246 58.200 0.006 0.000 1.024 58 S CB 0.295 63.498 63.200 0.006 0.000 0.864 58 S HN 0.051 nan 8.310 nan 0.000 0.536 59 T N 4.494 119.050 114.554 0.004 0.000 2.869 59 T HA 0.268 4.618 4.350 -0.000 0.000 0.295 59 T C -0.037 174.664 174.700 0.000 0.000 0.987 59 T CA -0.415 61.686 62.100 0.001 0.000 1.109 59 T CB 0.423 69.292 68.868 0.002 0.000 0.932 59 T HN 0.597 nan 8.240 nan 0.000 0.518 60 L N 3.809 125.030 121.223 -0.003 0.000 2.260 60 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 60 L C -0.058 176.810 176.870 -0.003 0.000 1.057 60 L CA -0.395 54.444 54.840 -0.003 0.000 0.811 60 L CB 0.427 42.482 42.059 -0.007 0.000 1.184 60 L HN 0.704 nan 8.230 nan 0.000 0.429 61 E N 5.720 125.921 120.200 0.002 0.000 2.073 61 E HA 0.253 4.603 4.350 -0.000 0.000 0.269 61 E C -1.058 175.546 176.600 0.006 0.000 0.917 61 E CA -0.952 55.451 56.400 0.004 0.000 0.757 61 E CB 1.668 31.372 29.700 0.007 0.000 1.111 61 E HN 0.362 nan 8.360 nan 0.000 0.410 62 L N 3.651 124.875 121.223 0.001 0.000 2.360 62 L HA 0.091 4.431 4.340 -0.000 0.000 0.276 62 L C 0.796 177.675 176.870 0.014 0.000 1.121 62 L CA 0.356 55.197 54.840 0.001 0.000 0.845 62 L CB 0.305 42.357 42.059 -0.012 0.000 1.143 62 L HN 0.571 nan 8.230 nan 0.000 0.452 63 D N -0.460 119.960 120.400 0.035 0.000 2.500 63 D HA 0.245 4.885 4.640 -0.000 0.000 0.217 63 D C 1.147 177.518 176.300 0.119 0.000 1.159 63 D CA 0.431 54.474 54.000 0.072 0.000 0.828 63 D CB 0.495 41.346 40.800 0.085 0.000 1.039 63 D HN 0.641 nan 8.370 nan 0.000 0.512 64 G N -0.330 108.481 108.800 0.018 0.000 2.159 64 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.256 64 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.256 64 G C 0.291 174.917 174.900 -0.458 0.000 0.977 64 G CA 0.670 45.676 45.100 -0.157 0.000 0.652 64 G HN 0.404 nan 8.290 nan 0.000 0.531 65 Y N -0.655 119.643 120.300 -0.002 0.000 2.449 65 Y HA 0.251 4.801 4.550 -0.000 0.000 0.278 65 Y C 2.116 178.016 175.900 -0.000 0.000 1.066 65 Y CA 0.676 58.778 58.100 0.002 0.000 1.166 65 Y CB 0.252 38.713 38.460 0.002 0.000 1.346 65 Y HN 0.520 nan 8.280 nan 0.000 0.562 66 S N -0.274 115.497 115.700 0.118 0.000 2.554 66 S HA 0.227 4.696 4.470 -0.000 0.000 0.226 66 S C 0.075 174.694 174.600 0.033 0.000 0.980 66 S CA -0.294 57.949 58.200 0.072 0.000 0.939 66 S CB -0.124 63.117 63.200 0.067 0.000 0.832 66 S HN 0.156 nan 8.310 nan 0.000 0.486 67 L N 4.280 125.510 121.223 0.011 0.000 2.455 67 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 67 L C -0.324 176.542 176.870 -0.007 0.000 1.174 67 L CA 0.102 54.939 54.840 -0.005 0.000 0.869 67 L CB 0.113 42.157 42.059 -0.025 0.000 1.130 67 L HN 0.505 nan 8.230 nan 0.000 0.474 68 N N 3.163 121.863 118.700 -0.000 0.000 2.457 68 N HA 0.344 5.083 4.740 -0.000 0.000 0.290 68 N C 0.387 175.892 175.510 -0.007 0.000 1.232 68 N CA -0.844 52.207 53.050 0.002 0.000 0.852 68 N CB 0.435 38.942 38.487 0.032 0.000 1.313 68 N HN 0.340 nan 8.380 nan 0.000 0.522 69 L N 0.097 121.309 121.223 -0.019 0.000 2.079 69 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 69 L C 2.363 179.250 176.870 0.029 0.000 1.081 69 L CA 2.231 57.059 54.840 -0.020 0.000 0.752 69 L CB -1.354 40.658 42.059 -0.078 0.000 0.896 69 L HN 0.948 nan 8.230 nan 0.000 0.433 70 G N -1.017 107.824 108.800 0.068 0.000 2.418 70 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 70 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 70 G C 1.289 176.196 174.900 0.011 0.000 1.158 70 G CA 0.825 45.963 45.100 0.063 0.000 0.771 70 G HN 0.348 nan 8.290 nan 0.000 0.545 71 D N 0.356 120.760 120.400 0.006 0.000 2.104 71 D HA -0.107 4.533 4.640 -0.000 0.000 0.194 71 D C 2.786 179.070 176.300 -0.025 0.000 0.994 71 D CA 0.894 54.889 54.000 -0.008 0.000 0.830 71 D CB -0.623 40.175 40.800 -0.004 0.000 0.959 71 D HN 0.199 nan 8.370 nan 0.000 0.452 72 V N 0.893 120.788 119.914 -0.032 0.000 2.287 72 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 72 V C 2.709 178.763 176.094 -0.068 0.000 1.053 72 V CA 1.214 63.487 62.300 -0.046 0.000 1.027 72 V CB -0.556 31.238 31.823 -0.048 0.000 0.646 72 V HN 0.058 nan 8.190 nan 0.000 0.447 73 V N 1.031 120.887 119.914 -0.096 0.000 2.295 73 V HA -0.256 3.863 4.120 -0.000 0.000 0.246 73 V C 2.739 178.757 176.094 -0.127 0.000 1.049 73 V CA 2.340 64.536 62.300 -0.173 0.000 1.024 73 V CB -1.035 30.576 31.823 -0.352 0.000 0.648 73 V HN 0.779 nan 8.190 nan 0.000 0.447 74 S N 1.206 116.857 115.700 -0.082 0.000 2.383 74 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 74 S C 2.061 176.637 174.600 -0.041 0.000 1.030 74 S CA 1.554 59.724 58.200 -0.051 0.000 1.002 74 S CB -0.580 62.604 63.200 -0.026 0.000 0.829 74 S HN 0.598 nan 8.310 nan 0.000 0.467 75 A N 2.124 124.920 122.820 -0.040 0.000 1.872 75 A HA 0.445 4.765 4.320 -0.000 0.000 0.214 75 A C 2.580 180.143 177.584 -0.035 0.000 1.187 75 A CA 1.565 53.583 52.037 -0.031 0.000 0.614 75 A CB -1.501 17.482 19.000 -0.029 0.000 0.826 75 A HN 0.870 nan 8.150 nan 0.000 0.442 76 A N -0.395 122.396 122.820 -0.049 0.000 1.902 76 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 76 A C 2.273 179.827 177.584 -0.051 0.000 1.181 76 A CA 1.668 53.675 52.037 -0.050 0.000 0.623 76 A CB -0.306 18.656 19.000 -0.063 0.000 0.818 76 A HN 0.537 nan 8.150 nan 0.000 0.443 77 R N -1.536 118.926 120.500 -0.063 0.000 2.221 77 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 77 R C 0.270 176.549 176.300 -0.035 0.000 0.956 77 R CA 0.352 56.419 56.100 -0.055 0.000 1.064 77 R CB 0.214 30.468 30.300 -0.077 0.000 1.049 77 R HN 0.072 nan 8.270 nan 0.000 0.534 78 K N 0.723 121.103 120.400 -0.033 0.000 2.811 78 K HA 0.196 4.516 4.320 -0.000 0.000 0.217 78 K C 0.323 176.919 176.600 -0.006 0.000 1.115 78 K CA -0.011 56.266 56.287 -0.016 0.000 1.179 78 K CB 0.604 33.094 32.500 -0.017 0.000 0.994 78 K HN 0.320 nan 8.250 nan 0.000 0.464 79 G N 2.246 111.043 108.800 -0.004 0.000 2.453 79 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.313 79 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.313 79 G C 0.377 175.278 174.900 0.003 0.000 0.948 79 G CA 0.652 45.755 45.100 0.005 0.000 0.846 79 G HN 0.469 nan 8.290 nan 0.000 0.512 80 R N 0.287 120.784 120.500 -0.005 0.000 2.570 80 R HA 0.268 4.608 4.340 -0.000 0.000 0.277 80 R C -2.101 174.195 176.300 -0.008 0.000 1.039 80 R CA -1.225 54.873 56.100 -0.004 0.000 1.065 80 R CB 0.420 30.715 30.300 -0.008 0.000 0.964 80 R HN 0.047 nan 8.270 nan 0.000 0.428 81 P HA -0.014 nan 4.420 nan 0.000 0.271 81 P C -1.116 176.175 177.300 -0.016 0.000 1.216 81 P CA -0.214 62.877 63.100 -0.014 0.000 0.771 81 P CB 1.117 32.812 31.700 -0.008 0.000 0.864 82 V N 2.238 122.138 119.914 -0.023 0.000 2.914 82 V HA 0.899 5.018 4.120 -0.000 0.000 0.314 82 V C -0.901 175.180 176.094 -0.021 0.000 1.084 82 V CA -1.006 61.282 62.300 -0.019 0.000 0.963 82 V CB 2.348 34.160 31.823 -0.019 0.000 1.025 82 V HN 0.659 nan 8.190 nan 0.000 0.432 83 R N 2.985 123.476 120.500 -0.015 0.000 2.604 83 R HA 0.603 4.943 4.340 -0.000 0.000 0.261 83 R C -1.874 174.422 176.300 -0.007 0.000 1.080 83 R CA -0.308 55.784 56.100 -0.012 0.000 0.917 83 R CB 2.060 32.355 30.300 -0.009 0.000 1.252 83 R HN 1.434 nan 8.270 nan 0.000 0.456 84 V N 3.643 123.554 119.914 -0.006 0.000 2.585 84 V HA 0.139 4.258 4.120 -0.000 0.000 0.296 84 V C 0.213 176.308 176.094 0.003 0.000 1.035 84 V CA 0.111 62.409 62.300 -0.003 0.000 1.084 84 V CB 0.678 32.499 31.823 -0.004 0.000 0.953 84 V HN 0.850 nan 8.190 nan 0.000 0.483 85 K N 4.872 125.276 120.400 0.007 0.000 2.491 85 K HA -0.053 4.266 4.320 -0.000 0.000 0.279 85 K C 0.020 176.625 176.600 0.009 0.000 1.026 85 K CA 0.030 56.323 56.287 0.010 0.000 1.070 85 K CB 0.143 32.652 32.500 0.016 0.000 0.887 85 K HN 0.923 nan 8.250 nan 0.000 0.481 86 D N 3.299 123.704 120.400 0.008 0.000 2.348 86 D HA 0.034 4.673 4.640 -0.000 0.000 0.259 86 D C -1.209 175.095 176.300 0.007 0.000 1.296 86 D CA 0.285 54.290 54.000 0.007 0.000 0.931 86 D CB 0.048 40.853 40.800 0.008 0.000 1.067 86 D HN 0.525 nan 8.370 nan 0.000 0.503 87 S N 2.312 118.016 115.700 0.006 0.000 2.558 87 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 87 S C 0.243 174.844 174.600 0.003 0.000 1.143 87 S CA -0.915 57.288 58.200 0.004 0.000 0.865 87 S CB 1.386 64.588 63.200 0.004 0.000 1.102 87 S HN 0.147 nan 8.310 nan 0.000 0.454 88 D N 1.651 122.052 120.400 0.002 0.000 2.149 88 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 88 D C 1.420 177.720 176.300 -0.001 0.000 0.972 88 D CA 1.626 55.626 54.000 0.001 0.000 0.835 88 D CB -0.071 40.730 40.800 0.001 0.000 0.966 88 D HN 0.757 nan 8.370 nan 0.000 0.476 89 E N 1.108 121.305 120.200 -0.004 0.000 2.070 89 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 89 E C 2.259 178.855 176.600 -0.006 0.000 1.004 89 E CA 0.637 57.032 56.400 -0.009 0.000 0.805 89 E CB -0.349 29.343 29.700 -0.014 0.000 0.744 89 E HN 0.360 nan 8.360 nan 0.000 0.451 90 I N 0.421 120.991 120.570 -0.000 0.000 2.133 90 I HA -0.257 3.913 4.170 -0.000 0.000 0.238 90 I C 2.438 178.554 176.117 -0.002 0.000 1.074 90 I CA 1.200 62.502 61.300 0.002 0.000 1.342 90 I CB -0.229 37.777 38.000 0.010 0.000 1.053 90 I HN 0.021 nan 8.210 nan 0.000 0.404 91 R N 0.111 120.612 120.500 0.001 0.000 2.127 91 R HA -0.188 4.151 4.340 -0.000 0.000 0.238 91 R C 2.528 178.829 176.300 0.002 0.000 1.134 91 R CA 1.663 57.764 56.100 0.002 0.000 0.975 91 R CB -0.436 29.867 30.300 0.005 0.000 0.865 91 R HN 0.324 nan 8.270 nan 0.000 0.447 92 S N 1.341 117.041 115.700 -0.000 0.000 2.343 92 S HA -0.197 4.273 4.470 -0.000 0.000 0.219 92 S C 1.851 176.449 174.600 -0.002 0.000 1.033 92 S CA 1.849 60.049 58.200 0.000 0.000 1.014 92 S CB -0.029 63.169 63.200 -0.002 0.000 0.915 92 S HN 0.432 nan 8.310 nan 0.000 0.435 93 K N 0.554 120.947 120.400 -0.012 0.000 2.147 93 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 93 K C 2.093 178.681 176.600 -0.021 0.000 1.049 93 K CA 1.620 57.893 56.287 -0.023 0.000 0.936 93 K CB -0.512 31.963 32.500 -0.043 0.000 0.722 93 K HN 0.425 nan 8.250 nan 0.000 0.446 94 I N 1.903 122.464 120.570 -0.015 0.000 2.394 94 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 94 I C 1.340 177.463 176.117 0.010 0.000 1.136 94 I CA 1.154 62.450 61.300 -0.007 0.000 1.425 94 I CB -0.269 37.728 38.000 -0.006 0.000 1.079 94 I HN 0.202 nan 8.210 nan 0.000 0.425 95 D N 1.021 121.429 120.400 0.013 0.000 2.120 95 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 95 D C 2.094 178.417 176.300 0.038 0.000 0.972 95 D CA 1.005 55.019 54.000 0.023 0.000 0.837 95 D CB -0.164 40.648 40.800 0.019 0.000 0.989 95 D HN 0.215 nan 8.370 nan 0.000 0.469 96 K N 0.766 121.186 120.400 0.034 0.000 2.280 96 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 96 K C 2.121 178.771 176.600 0.084 0.000 1.047 96 K CA 1.082 57.400 56.287 0.052 0.000 0.942 96 K CB -0.017 32.500 32.500 0.027 0.000 0.739 96 K HN 0.165 nan 8.250 nan 0.000 0.457 97 S N 0.454 116.192 115.700 0.064 0.000 2.371 97 S HA -0.051 4.419 4.470 -0.000 0.000 0.221 97 S C 2.216 176.903 174.600 0.145 0.000 1.036 97 S CA 0.502 58.759 58.200 0.095 0.000 0.965 97 S CB -0.576 62.651 63.200 0.044 0.000 0.845 97 S HN -0.017 nan 8.310 nan 0.000 0.475 98 V N 3.381 123.349 119.914 0.089 0.000 2.287 98 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 98 V C 3.022 179.164 176.094 0.081 0.000 1.053 98 V CA 2.318 64.663 62.300 0.074 0.000 1.027 98 V CB -0.881 30.968 31.823 0.044 0.000 0.646 98 V HN 0.675 nan 8.190 nan 0.000 0.447 99 E N -0.197 120.054 120.200 0.085 0.000 2.118 99 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 99 E C 2.174 178.832 176.600 0.097 0.000 0.992 99 E CA 1.865 58.310 56.400 0.075 0.000 0.804 99 E CB -0.290 29.453 29.700 0.073 0.000 0.741 99 E HN 0.568 nan 8.360 nan 0.000 0.458 100 F N 1.096 121.051 119.950 0.009 0.000 2.102 100 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 100 F C 1.460 177.265 175.800 0.009 0.000 1.105 100 F CA 0.797 58.803 58.000 0.010 0.000 1.239 100 F CB -0.086 38.923 39.000 0.014 0.000 0.991 100 F HN 0.015 nan 8.300 nan 0.000 0.474 101 L N 1.539 122.799 121.223 0.061 0.000 2.727 101 L HA 0.230 4.570 4.340 -0.000 0.000 0.237 101 L C 1.231 178.075 176.870 -0.043 0.000 1.370 101 L CA 0.568 55.388 54.840 -0.034 0.000 1.248 101 L CB -0.702 41.410 42.059 0.088 0.000 1.556 101 L HN 0.244 nan 8.230 nan 0.000 0.420 102 R N -1.806 118.640 120.500 -0.090 0.000 2.769 102 R HA 0.055 4.395 4.340 -0.000 0.000 0.191 102 R C 1.457 177.704 176.300 -0.089 0.000 0.881 102 R CA 0.960 57.026 56.100 -0.057 0.000 1.133 102 R CB 0.340 30.626 30.300 -0.023 0.000 1.607 102 R HN 0.403 nan 8.270 nan 0.000 0.613 103 S N 0.730 116.342 115.700 -0.146 0.000 2.575 103 S HA 0.160 4.630 4.470 -0.000 0.000 0.215 103 S C 0.015 174.490 174.600 -0.209 0.000 0.966 103 S CA -0.221 57.886 58.200 -0.155 0.000 0.911 103 S CB 0.205 63.311 63.200 -0.158 0.000 0.780 103 S HN 0.329 nan 8.310 nan 0.000 0.514 120 A N 0.519 123.331 122.820 -0.013 0.000 2.066 120 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 120 A C 1.559 179.135 177.584 -0.013 0.000 1.157 120 A CA 1.741 53.769 52.037 -0.015 0.000 0.670 120 A CB -0.968 18.022 19.000 -0.017 0.000 0.804 120 A HN 0.782 nan 8.150 nan 0.000 0.453 121 D N -0.295 120.099 120.400 -0.011 0.000 2.097 121 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 121 D C 2.000 178.295 176.300 -0.008 0.000 0.984 121 D CA 1.913 55.907 54.000 -0.009 0.000 0.826 121 D CB -0.436 40.360 40.800 -0.007 0.000 0.973 121 D HN 0.377 nan 8.370 nan 0.000 0.460 122 T N 0.935 115.484 114.554 -0.008 0.000 2.867 122 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 122 T C 1.659 176.354 174.700 -0.008 0.000 1.057 122 T CA 0.961 63.056 62.100 -0.007 0.000 1.136 122 T CB -0.134 68.730 68.868 -0.007 0.000 0.874 122 T HN 0.349 nan 8.240 nan 0.000 0.466 123 R N 0.994 121.488 120.500 -0.010 0.000 2.328 123 R HA 0.161 4.501 4.340 -0.000 0.000 0.200 123 R C 1.269 177.563 176.300 -0.010 0.000 0.983 123 R CA 0.680 56.774 56.100 -0.010 0.000 1.062 123 R CB -0.423 29.869 30.300 -0.014 0.000 0.956 123 R HN 0.144 nan 8.270 nan 0.000 0.479 124 T N 0.182 114.730 114.554 -0.009 0.000 3.018 124 T HA -0.021 4.329 4.350 -0.000 0.000 0.246 124 T C 1.254 175.951 174.700 -0.005 0.000 1.026 124 T CA 0.457 62.553 62.100 -0.008 0.000 1.081 124 T CB 0.282 69.144 68.868 -0.009 0.000 0.970 124 T HN 0.224 nan 8.240 nan 0.000 0.475 125 E N 2.192 122.389 120.200 -0.005 0.000 2.077 125 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 125 E C 1.342 177.940 176.600 -0.003 0.000 0.989 125 E CA 1.471 57.868 56.400 -0.004 0.000 0.800 125 E CB -0.224 29.473 29.700 -0.005 0.000 0.746 125 E HN 0.265 nan 8.360 nan 0.000 0.452 126 D N -0.302 120.096 120.400 -0.003 0.000 2.277 126 D HA 0.021 4.661 4.640 -0.000 0.000 0.208 126 D C 1.598 177.899 176.300 0.000 0.000 0.962 126 D CA 1.047 55.046 54.000 -0.002 0.000 0.865 126 D CB -0.249 40.549 40.800 -0.003 0.000 0.939 126 D HN 0.309 nan 8.370 nan 0.000 0.510 127 A N 0.610 123.430 122.820 -0.000 0.000 1.898 127 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 127 A C 2.105 179.692 177.584 0.004 0.000 1.181 127 A CA 0.824 52.862 52.037 0.002 0.000 0.620 127 A CB -0.502 18.498 19.000 -0.000 0.000 0.819 127 A HN 0.092 nan 8.150 nan 0.000 0.442 128 I N 0.167 120.739 120.570 0.003 0.000 2.226 128 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 128 I C 2.700 178.821 176.117 0.006 0.000 1.100 128 I CA 1.694 62.996 61.300 0.003 0.000 1.374 128 I CB -0.463 37.537 38.000 0.000 0.000 1.057 128 I HN 0.202 nan 8.210 nan 0.000 0.413 129 S N 0.250 115.952 115.700 0.005 0.000 2.359 129 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 129 S C 1.944 176.552 174.600 0.013 0.000 1.035 129 S CA 1.196 59.400 58.200 0.007 0.000 1.018 129 S CB -0.572 62.630 63.200 0.004 0.000 0.876 129 S HN 0.332 nan 8.310 nan 0.000 0.448 130 L N 1.800 123.030 121.223 0.012 0.000 2.187 130 L HA -0.105 4.234 4.340 -0.000 0.000 0.213 130 L C 2.120 179.006 176.870 0.028 0.000 1.100 130 L CA 1.680 56.530 54.840 0.018 0.000 0.765 130 L CB -0.717 41.350 42.059 0.013 0.000 0.904 130 L HN 0.319 nan 8.230 nan 0.000 0.437 131 Q N -1.353 118.461 119.800 0.023 0.000 2.163 131 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 131 Q C 2.110 178.128 176.000 0.031 0.000 0.954 131 Q CA 0.818 56.636 55.803 0.024 0.000 0.851 131 Q CB 0.013 28.759 28.738 0.014 0.000 0.928 131 Q HN 0.446 nan 8.270 nan 0.000 0.459 132 K N 0.668 121.085 120.400 0.028 0.000 2.032 132 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 132 K C 2.076 178.708 176.600 0.053 0.000 1.048 132 K CA 1.297 57.605 56.287 0.035 0.000 0.927 132 K CB -0.201 32.313 32.500 0.023 0.000 0.712 132 K HN 0.130 nan 8.250 nan 0.000 0.441 133 A N 1.092 123.945 122.820 0.056 0.000 1.972 133 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 133 A C 2.069 179.759 177.584 0.177 0.000 1.169 133 A CA 1.156 53.243 52.037 0.084 0.000 0.635 133 A CB -0.301 18.727 19.000 0.047 0.000 0.810 133 A HN 0.083 nan 8.150 nan 0.000 0.446 134 L N -1.266 120.045 121.223 0.146 0.000 2.044 134 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 134 L C 2.322 179.192 176.870 0.001 0.000 1.075 134 L CA 1.281 56.231 54.840 0.185 0.000 0.747 134 L CB -1.008 41.106 42.059 0.092 0.000 0.903 134 L HN 0.335 nan 8.230 nan 0.000 0.435 135 L N -0.295 120.921 121.223 -0.012 0.000 2.131 135 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 135 L C 2.570 179.387 176.870 -0.089 0.000 1.092 135 L CA 1.548 56.342 54.840 -0.077 0.000 0.759 135 L CB -0.627 41.421 42.059 -0.018 0.000 0.903 135 L HN 0.459 nan 8.230 nan 0.000 0.435 136 E N -1.045 119.164 120.200 0.015 0.000 2.031 136 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 136 E C 2.054 178.679 176.600 0.041 0.000 0.994 136 E CA 1.543 57.969 56.400 0.045 0.000 0.800 136 E CB -0.293 29.462 29.700 0.092 0.000 0.752 136 E HN 0.760 nan 8.360 nan 0.000 0.447 137 H N -0.951 118.111 119.070 -0.013 0.000 2.535 137 H HA 0.033 4.588 4.556 -0.000 0.000 0.273 137 H C 1.677 177.001 175.328 -0.006 0.000 0.983 137 H CA 0.909 56.953 56.048 -0.006 0.000 1.238 137 H CB 0.128 29.889 29.762 -0.002 0.000 1.412 137 H HN 0.154 nan 8.280 nan 0.000 0.562 138 Q N 0.787 120.275 119.800 -0.520 0.000 2.212 138 Q HA 0.117 4.457 4.340 -0.000 0.000 0.199 138 Q C 0.583 176.483 176.000 -0.167 0.000 0.950 138 Q CA 0.229 55.795 55.803 -0.396 0.000 0.863 138 Q CB 0.013 28.503 28.738 -0.414 0.000 0.944 138 Q HN 0.286 nan 8.270 nan 0.000 0.465 139 L N 1.077 122.161 121.223 -0.231 0.000 2.391 139 L HA 0.070 4.410 4.340 -0.000 0.000 0.249 139 L C 0.204 177.056 176.870 -0.031 0.000 1.308 139 L CA 0.143 54.787 54.840 -0.325 0.000 1.209 139 L CB -0.315 41.405 42.059 -0.565 0.000 1.401 139 L HN 0.375 nan 8.230 nan 0.000 0.416 140 C N -2.044 117.326 119.300 0.117 0.000 3.240 140 C HA 0.684 5.144 4.460 -0.000 0.000 0.271 140 C C 1.037 176.104 174.990 0.129 0.000 1.534 140 C CA -0.519 58.566 59.018 0.110 0.000 1.796 140 C CB -0.868 26.914 27.740 0.070 0.000 2.892 140 C HN 0.542 nan 8.230 nan 0.000 0.566 141 G N 0.885 109.797 108.800 0.187 0.000 2.504 141 G HA2 0.495 4.455 3.960 -0.000 0.000 0.288 141 G HA3 0.495 4.455 3.960 -0.000 0.000 0.288 141 G C -0.324 174.600 174.900 0.039 0.000 1.182 141 G CA 0.254 45.384 45.100 0.049 0.000 0.894 141 G HN 1.078 nan 8.290 nan 0.000 0.521 142 V N 0.493 120.406 119.914 -0.003 0.000 2.539 142 V HA 0.837 4.957 4.120 -0.000 0.000 0.292 142 V C -0.830 175.253 176.094 -0.017 0.000 1.045 142 V CA -0.645 61.661 62.300 0.009 0.000 0.945 142 V CB 1.237 33.066 31.823 0.010 0.000 0.993 142 V HN 0.550 nan 8.190 nan 0.000 0.464 143 L N 5.422 126.654 121.223 0.015 0.000 2.540 143 L HA 0.704 5.044 4.340 -0.000 0.000 0.256 143 L C -2.416 174.493 176.870 0.065 0.000 1.001 143 L CA -1.453 53.398 54.840 0.019 0.000 0.843 143 L CB 2.245 44.316 42.059 0.020 0.000 1.436 143 L HN 0.724 nan 8.230 nan 0.000 0.410 144 P HA 0.119 nan 4.420 nan 0.000 0.266 144 P C 0.314 177.709 177.300 0.159 0.000 1.195 144 P CA -0.013 63.180 63.100 0.155 0.000 0.768 144 P CB 0.564 32.437 31.700 0.287 0.000 0.838 145 S N 0.924 116.707 115.700 0.139 0.000 2.489 145 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 145 S C 0.931 175.611 174.600 0.133 0.000 0.995 145 S CA 0.608 58.880 58.200 0.121 0.000 0.934 145 S CB -0.437 62.821 63.200 0.096 0.000 0.771 145 S HN 0.807 nan 8.310 nan 0.000 0.522 146 S N -0.852 114.950 115.700 0.171 0.000 2.862 146 S HA 0.569 5.039 4.470 -0.000 0.000 0.300 146 S C -0.677 174.075 174.600 0.254 0.000 1.240 146 S CA -0.649 57.665 58.200 0.189 0.000 1.025 146 S CB -0.527 62.742 63.200 0.116 0.000 1.340 146 S HN 0.011 nan 8.310 nan 0.000 0.544 147 F N 1.659 121.478 119.950 -0.218 0.000 2.695 147 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 147 F C 0.936 176.682 175.800 -0.089 0.000 1.091 147 F CA -0.634 57.134 58.000 -0.387 0.000 1.300 147 F CB -0.066 38.710 39.000 -0.374 0.000 1.071 147 F HN 0.461 nan 8.300 nan 0.000 0.578 148 D N -0.749 119.755 120.400 0.174 0.000 2.323 148 D HA 0.004 4.644 4.640 -0.000 0.000 0.239 148 D C 1.633 178.028 176.300 0.159 0.000 1.129 148 D CA 0.579 54.664 54.000 0.141 0.000 0.865 148 D CB -0.059 40.801 40.800 0.099 0.000 0.913 148 D HN 0.284 nan 8.370 nan 0.000 0.517 149 S N -1.100 114.746 115.700 0.244 0.000 2.687 149 S HA 0.132 4.602 4.470 -0.000 0.000 0.247 149 S C 0.318 175.087 174.600 0.281 0.000 1.050 149 S CA -0.572 57.766 58.200 0.230 0.000 1.063 149 S CB -0.062 63.269 63.200 0.218 0.000 1.039 149 S HN -0.105 nan 8.310 nan 0.000 0.580 150 F N 4.313 124.248 119.950 -0.026 0.000 2.405 150 F HA 0.546 5.073 4.527 -0.000 0.000 0.358 150 F C 1.034 176.815 175.800 -0.032 0.000 1.151 150 F CA -1.156 56.802 58.000 -0.070 0.000 1.161 150 F CB 0.263 39.161 39.000 -0.169 0.000 1.245 150 F HN -0.055 nan 8.300 nan 0.000 0.545 151 R N 1.721 122.269 120.500 0.079 0.000 2.553 151 R HA 0.370 4.710 4.340 -0.000 0.000 0.263 151 R C -0.583 175.735 176.300 0.030 0.000 1.066 151 R CA -1.410 54.721 56.100 0.051 0.000 1.135 151 R CB 1.051 31.361 30.300 0.018 0.000 1.148 151 R HN 0.461 nan 8.270 nan 0.000 0.558 152 L N 1.221 122.461 121.223 0.029 0.000 2.559 152 L HA 0.088 4.428 4.340 -0.000 0.000 0.274 152 L C 1.101 177.968 176.870 -0.005 0.000 1.205 152 L CA 1.764 56.616 54.840 0.021 0.000 0.907 152 L CB 0.029 42.100 42.059 0.021 0.000 1.153 152 L HN 0.939 nan 8.230 nan 0.000 0.490 153 G N 3.209 112.002 108.800 -0.011 0.000 2.168 153 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 153 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 153 G C 0.459 175.317 174.900 -0.070 0.000 0.997 153 G CA 0.619 45.700 45.100 -0.031 0.000 0.708 153 G HN 0.669 nan 8.290 nan 0.000 0.520 154 R N -2.267 118.169 120.500 -0.107 0.000 2.906 154 R HA 0.789 5.129 4.340 -0.000 0.000 0.258 154 R C 1.040 177.116 176.300 -0.373 0.000 1.156 154 R CA 0.160 56.152 56.100 -0.180 0.000 0.996 154 R CB 0.860 31.083 30.300 -0.128 0.000 1.259 154 R HN 1.159 nan 8.270 nan 0.000 0.462 155 G N -0.352 108.137 108.800 -0.518 0.000 2.697 155 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.200 155 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.200 155 G C 0.124 174.381 174.900 -1.071 0.000 1.106 155 G CA -0.153 44.255 45.100 -1.153 0.000 0.748 155 G HN 0.323 nan 8.290 nan 0.000 0.503 156 L N 1.536 122.356 121.223 -0.673 0.000 2.984 156 L HA 0.382 4.722 4.340 -0.000 0.000 0.246 156 L C 1.733 178.477 176.870 -0.210 0.000 1.268 156 L CA -0.103 54.519 54.840 -0.364 0.000 1.054 156 L CB 0.633 42.551 42.059 -0.234 0.000 1.393 156 L HN 0.251 nan 8.230 nan 0.000 0.532 157 E N 0.250 120.330 120.200 -0.200 0.000 2.085 157 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 157 E C 1.252 177.790 176.600 -0.102 0.000 0.994 157 E CA 1.125 57.446 56.400 -0.131 0.000 0.801 157 E CB 0.026 29.657 29.700 -0.116 0.000 0.743 157 E HN 0.348 nan 8.360 nan 0.000 0.453 158 N N 0.321 118.962 118.700 -0.098 0.000 2.501 158 N HA -0.013 4.727 4.740 -0.000 0.000 0.195 158 N C -0.342 175.114 175.510 -0.090 0.000 1.213 158 N CA 0.211 53.213 53.050 -0.080 0.000 0.864 158 N CB 0.386 38.836 38.487 -0.062 0.000 0.999 158 N HN -0.039 nan 8.380 nan 0.000 0.454 159 S N 0.455 116.098 115.700 -0.095 0.000 2.509 159 S HA 0.384 4.854 4.470 -0.000 0.000 0.297 159 S C -0.273 174.271 174.600 -0.093 0.000 1.118 159 S CA -0.738 57.405 58.200 -0.095 0.000 1.074 159 S CB 0.967 64.122 63.200 -0.075 0.000 1.038 159 S HN 0.048 nan 8.310 nan 0.000 0.498 160 L N 6.021 127.184 121.223 -0.099 0.000 2.416 160 L HA 0.412 4.752 4.340 -0.000 0.000 0.272 160 L C -1.838 174.985 176.870 -0.077 0.000 1.161 160 L CA -1.236 53.553 54.840 -0.085 0.000 0.845 160 L CB 0.183 42.189 42.059 -0.088 0.000 1.119 160 L HN 0.554 nan 8.230 nan 0.000 0.464 161 P HA -0.019 nan 4.420 nan 0.000 0.266 161 P C 0.958 178.211 177.300 -0.078 0.000 1.195 161 P CA -0.024 63.032 63.100 -0.074 0.000 0.768 161 P CB 0.639 32.302 31.700 -0.062 0.000 0.838 162 L N 2.140 123.302 121.223 -0.102 0.000 2.042 162 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 162 L C 2.587 179.412 176.870 -0.074 0.000 1.076 162 L CA 2.136 56.911 54.840 -0.109 0.000 0.749 162 L CB -1.055 40.889 42.059 -0.192 0.000 0.893 162 L HN 0.493 nan 8.230 nan 0.000 0.432 163 E N 0.061 120.219 120.200 -0.070 0.000 2.160 163 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 163 E C 2.081 178.651 176.600 -0.050 0.000 0.991 163 E CA 1.382 57.748 56.400 -0.056 0.000 0.810 163 E CB -0.461 29.204 29.700 -0.058 0.000 0.742 163 E HN 0.292 nan 8.360 nan 0.000 0.466 164 V N 1.528 121.413 119.914 -0.049 0.000 2.307 164 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 164 V C 2.431 178.503 176.094 -0.037 0.000 1.045 164 V CA 1.554 63.828 62.300 -0.043 0.000 1.024 164 V CB -0.006 31.790 31.823 -0.044 0.000 0.651 164 V HN 0.385 nan 8.190 nan 0.000 0.449 165 V N 0.201 120.094 119.914 -0.035 0.000 2.626 165 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 165 V C 2.515 178.601 176.094 -0.014 0.000 1.067 165 V CA 1.803 64.090 62.300 -0.022 0.000 1.081 165 V CB -0.515 31.300 31.823 -0.013 0.000 0.686 165 V HN 0.500 nan 8.190 nan 0.000 0.468 166 R N 0.190 120.680 120.500 -0.017 0.000 2.090 166 R HA 0.047 4.386 4.340 -0.000 0.000 0.228 166 R C 2.418 178.705 176.300 -0.021 0.000 1.110 166 R CA 1.187 57.281 56.100 -0.010 0.000 0.973 166 R CB -0.823 29.469 30.300 -0.013 0.000 0.869 166 R HN 0.601 nan 8.270 nan 0.000 0.440 167 G N 1.483 110.264 108.800 -0.031 0.000 2.402 167 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 167 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 167 G C 0.761 175.642 174.900 -0.032 0.000 1.162 167 G CA 0.652 45.730 45.100 -0.036 0.000 0.777 167 G HN 0.417 nan 8.290 nan 0.000 0.539 171 I N 1.330 121.878 120.570 -0.036 0.000 2.315 171 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 171 I C 2.823 178.916 176.117 -0.039 0.000 1.117 171 I CA 1.036 62.312 61.300 -0.040 0.000 1.404 171 I CB -0.181 37.796 38.000 -0.038 0.000 1.071 171 I HN 0.091 nan 8.210 nan 0.000 0.419 172 R N 0.705 121.185 120.500 -0.035 0.000 2.080 172 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 172 R C 2.326 178.605 176.300 -0.035 0.000 1.137 172 R CA 1.423 57.504 56.100 -0.033 0.000 0.943 172 R CB -0.823 29.456 30.300 -0.035 0.000 0.846 172 R HN 0.220 nan 8.270 nan 0.000 0.431 173 V N 1.629 121.520 119.914 -0.038 0.000 2.287 173 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 173 V C 2.189 178.261 176.094 -0.037 0.000 1.053 173 V CA 2.149 64.428 62.300 -0.036 0.000 1.027 173 V CB -0.760 31.042 31.823 -0.034 0.000 0.646 173 V HN 0.415 nan 8.190 nan 0.000 0.447 174 N N 0.811 119.486 118.700 -0.042 0.000 2.104 174 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 174 N C 1.921 177.386 175.510 -0.076 0.000 1.024 174 N CA 1.984 55.001 53.050 -0.054 0.000 0.853 174 N CB -0.227 38.224 38.487 -0.059 0.000 1.008 174 N HN 0.594 nan 8.380 nan 0.000 0.424 175 S N -0.485 115.175 115.700 -0.068 0.000 2.436 175 S HA 0.020 4.490 4.470 -0.000 0.000 0.228 175 S C 2.003 176.579 174.600 -0.041 0.000 1.014 175 S CA 0.383 58.543 58.200 -0.068 0.000 0.950 175 S CB -0.490 62.685 63.200 -0.043 0.000 0.784 175 S HN 0.324 nan 8.310 nan 0.000 0.504 176 L N 2.205 123.409 121.223 -0.032 0.000 2.201 176 L HA -0.032 4.307 4.340 -0.000 0.000 0.212 176 L C 2.895 179.744 176.870 -0.036 0.000 1.105 176 L CA 1.456 56.282 54.840 -0.022 0.000 0.775 176 L CB -1.072 40.976 42.059 -0.019 0.000 0.913 176 L HN 0.579 nan 8.230 nan 0.000 0.440 177 T N -3.467 111.062 114.554 -0.042 0.000 3.163 177 T HA -0.136 4.213 4.350 -0.000 0.000 0.260 177 T C 1.754 176.423 174.700 -0.052 0.000 1.156 177 T CA 0.458 62.537 62.100 -0.035 0.000 1.072 177 T CB -0.194 68.664 68.868 -0.017 0.000 0.937 177 T HN 0.134 nan 8.240 nan 0.000 0.528 178 R N 0.495 120.932 120.500 -0.106 0.000 2.275 178 R HA 0.328 4.668 4.340 -0.000 0.000 0.199 178 R C 1.762 177.821 176.300 -0.402 0.000 0.989 178 R CA 0.766 56.737 56.100 -0.214 0.000 1.016 178 R CB -0.406 29.741 30.300 -0.255 0.000 0.918 178 R HN 0.567 nan 8.270 nan 0.000 0.473 179 G N -0.328 108.333 108.800 -0.231 0.000 2.198 179 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 179 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 179 G C 0.110 174.914 174.900 -0.159 0.000 1.042 179 G CA 0.699 45.697 45.100 -0.171 0.000 0.791 179 G HN 0.603 nan 8.290 nan 0.000 0.502 180 H N -0.703 118.373 119.070 0.011 0.000 2.654 180 H HA 0.246 4.802 4.556 -0.000 0.000 0.264 180 H C 2.483 177.819 175.328 0.012 0.000 0.954 180 H CA 0.946 56.998 56.048 0.007 0.000 1.199 180 H CB 0.668 30.433 29.762 0.005 0.000 1.446 180 H HN 0.559 nan 8.280 nan 0.000 0.516 181 S N -0.151 115.617 115.700 0.114 0.000 2.505 181 S HA 0.384 4.854 4.470 -0.000 0.000 0.216 181 S C 1.265 175.904 174.600 0.064 0.000 1.018 181 S CA 0.130 58.377 58.200 0.078 0.000 0.911 181 S CB 0.853 64.087 63.200 0.056 0.000 0.818 181 S HN 0.390 nan 8.310 nan 0.000 0.497 182 A N 0.017 122.871 122.820 0.058 0.000 2.917 182 A HA -0.016 4.304 4.320 -0.000 0.000 0.286 182 A C 0.000 177.607 177.584 0.039 0.000 1.435 182 A CA 0.506 52.579 52.037 0.059 0.000 0.737 182 A CB -2.295 16.760 19.000 0.092 0.000 1.049 182 A HN 1.409 nan 8.150 nan 0.000 0.483 183 V N 0.996 120.924 119.914 0.024 0.000 2.540 183 V HA 0.686 4.806 4.120 -0.000 0.000 0.302 183 V C 0.782 176.881 176.094 0.008 0.000 1.035 183 V CA -0.864 61.444 62.300 0.013 0.000 0.873 183 V CB 1.376 33.201 31.823 0.004 0.000 0.992 183 V HN 0.726 nan 8.190 nan 0.000 0.428 184 R N 3.437 123.942 120.500 0.008 0.000 2.758 184 R HA 0.030 4.370 4.340 -0.000 0.000 0.263 184 R C 1.091 177.393 176.300 0.002 0.000 1.010 184 R CA 0.271 56.375 56.100 0.007 0.000 1.114 184 R CB 0.240 30.545 30.300 0.008 0.000 0.985 184 R HN 0.784 nan 8.270 nan 0.000 0.439 185 L N 3.940 125.166 121.223 0.004 0.000 2.131 185 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 185 L C 1.847 178.718 176.870 0.003 0.000 1.092 185 L CA 1.521 56.362 54.840 0.002 0.000 0.759 185 L CB -0.282 41.779 42.059 0.005 0.000 0.903 185 L HN 0.582 nan 8.230 nan 0.000 0.435 186 V N -1.238 118.680 119.914 0.007 0.000 2.867 186 V HA -0.184 3.936 4.120 -0.000 0.000 0.260 186 V C 2.218 178.315 176.094 0.005 0.000 1.099 186 V CA 1.675 63.982 62.300 0.012 0.000 1.122 186 V CB -0.071 31.762 31.823 0.016 0.000 0.708 186 V HN 0.369 nan 8.190 nan 0.000 0.490 187 V N -0.440 119.471 119.914 -0.006 0.000 2.446 187 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 187 V C 2.326 178.398 176.094 -0.036 0.000 1.039 187 V CA 1.403 63.689 62.300 -0.022 0.000 1.045 187 V CB -0.454 31.355 31.823 -0.023 0.000 0.681 187 V HN 0.448 nan 8.190 nan 0.000 0.459 188 L N 0.194 121.401 121.223 -0.026 0.000 2.083 188 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 188 L C 2.382 179.237 176.870 -0.024 0.000 1.083 188 L CA 1.688 56.510 54.840 -0.030 0.000 0.752 188 L CB -1.089 40.958 42.059 -0.020 0.000 0.899 188 L HN 0.405 nan 8.230 nan 0.000 0.433 189 E N -0.714 119.481 120.200 -0.009 0.000 2.208 189 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 189 E C 2.268 178.881 176.600 0.022 0.000 0.988 189 E CA 0.833 57.237 56.400 0.007 0.000 0.828 189 E CB -0.106 29.605 29.700 0.019 0.000 0.763 189 E HN 0.500 nan 8.360 nan 0.000 0.478 190 A N 1.268 124.091 122.820 0.005 0.000 1.902 190 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 190 A C 2.165 179.723 177.584 -0.043 0.000 1.181 190 A CA 0.995 53.040 52.037 0.014 0.000 0.623 190 A CB -0.504 18.465 19.000 -0.052 0.000 0.818 190 A HN 0.111 nan 8.150 nan 0.000 0.443 191 L N -0.254 120.902 121.223 -0.111 0.000 2.005 191 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 191 L C 3.051 179.915 176.870 -0.009 0.000 1.072 191 L CA 1.870 56.631 54.840 -0.132 0.000 0.744 191 L CB -1.161 40.830 42.059 -0.113 0.000 0.895 191 L HN 0.610 nan 8.230 nan 0.000 0.433 192 T N -2.985 111.565 114.554 -0.008 0.000 2.803 192 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 192 T C 1.722 176.416 174.700 -0.010 0.000 1.052 192 T CA 1.492 63.587 62.100 -0.008 0.000 1.136 192 T CB -0.455 68.402 68.868 -0.018 0.000 0.864 192 T HN 0.236 nan 8.240 nan 0.000 0.467 193 N N 0.682 119.405 118.700 0.039 0.000 2.142 193 N HA 0.041 4.781 4.740 -0.000 0.000 0.186 193 N C 1.492 177.035 175.510 0.055 0.000 1.023 193 N CA 0.913 53.966 53.050 0.005 0.000 0.852 193 N CB -0.543 38.032 38.487 0.147 0.000 0.998 193 N HN 0.351 nan 8.380 nan 0.000 0.424 194 F N 1.716 121.619 119.950 -0.078 0.000 2.095 194 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 194 F C 2.346 178.091 175.800 -0.091 0.000 1.104 194 F CA 0.663 58.617 58.000 -0.076 0.000 1.232 194 F CB -0.802 38.172 39.000 -0.044 0.000 0.987 194 F HN -0.024 nan 8.300 nan 0.000 0.475 195 L N -0.302 120.993 121.223 0.121 0.000 2.012 195 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 195 L C 2.163 179.012 176.870 -0.034 0.000 1.073 195 L CA 1.428 56.287 54.840 0.031 0.000 0.748 195 L CB -0.668 41.397 42.059 0.011 0.000 0.891 195 L HN 0.138 nan 8.230 nan 0.000 0.431 196 N N -1.350 117.281 118.700 -0.114 0.000 2.396 196 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 196 N C 1.434 176.835 175.510 -0.182 0.000 1.028 196 N CA 0.946 53.889 53.050 -0.180 0.000 0.893 196 N CB -0.199 38.123 38.487 -0.274 0.000 0.967 196 N HN 0.412 nan 8.380 nan 0.000 0.440 197 H N -0.516 118.503 119.070 -0.086 0.000 2.529 197 H HA 0.257 4.813 4.556 -0.000 0.000 0.277 197 H C 0.963 176.143 175.328 -0.247 0.000 1.004 197 H CA 0.310 56.240 56.048 -0.197 0.000 1.167 197 H CB 0.143 29.604 29.762 -0.500 0.000 1.445 197 H HN 0.213 nan 8.280 nan 0.000 0.554 198 G N 1.552 110.328 108.800 -0.040 0.000 2.198 198 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 198 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 198 G C 0.069 174.937 174.900 -0.052 0.000 1.042 198 G CA 0.038 45.133 45.100 -0.009 0.000 0.791 198 G HN 0.366 nan 8.290 nan 0.000 0.502 199 I N 1.352 121.838 120.570 -0.141 0.000 2.312 199 I HA 0.355 4.524 4.170 -0.000 0.000 0.290 199 I C 0.089 176.245 176.117 0.064 0.000 1.008 199 I CA -0.279 60.910 61.300 -0.186 0.000 1.226 199 I CB 1.582 39.184 38.000 -0.664 0.000 1.371 199 I HN 0.017 nan 8.210 nan 0.000 0.468 200 T N 7.649 122.281 114.554 0.129 0.000 2.912 200 T HA 0.308 4.657 4.350 -0.000 0.000 0.326 200 T C -2.401 172.398 174.700 0.166 0.000 1.080 200 T CA -1.342 60.849 62.100 0.150 0.000 1.000 200 T CB 1.120 70.031 68.868 0.072 0.000 1.008 200 T HN 0.337 nan 8.240 nan 0.000 0.473 201 P HA 0.098 nan 4.420 nan 0.000 0.267 201 P C -0.475 176.892 177.300 0.112 0.000 1.201 201 P CA -0.394 62.811 63.100 0.175 0.000 0.775 201 P CB 0.735 32.544 31.700 0.182 0.000 0.854 202 I N 3.064 123.700 120.570 0.110 0.000 2.297 202 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 202 I C 0.676 176.794 176.117 0.001 0.000 1.033 202 I CA -0.478 60.856 61.300 0.057 0.000 1.253 202 I CB 0.713 38.758 38.000 0.075 0.000 1.396 202 I HN 0.129 nan 8.210 nan 0.000 0.476 203 V N 6.704 126.560 119.914 -0.098 0.000 2.667 203 V HA 0.705 4.825 4.120 -0.000 0.000 0.308 203 V C -2.529 173.357 176.094 -0.347 0.000 1.048 203 V CA -2.273 59.840 62.300 -0.311 0.000 0.928 203 V CB 1.663 33.369 31.823 -0.194 0.000 1.004 203 V HN 0.465 nan 8.190 nan 0.000 0.444 204 P HA 0.110 nan 4.420 nan 0.000 0.271 204 P C 0.478 177.650 177.300 -0.213 0.000 1.218 204 P CA -0.219 62.683 63.100 -0.331 0.000 0.780 204 P CB 1.575 33.049 31.700 -0.376 0.000 0.901 205 L N 2.873 124.012 121.223 -0.140 0.000 2.072 205 L HA 0.011 4.350 4.340 -0.000 0.000 0.205 205 L C 1.193 178.014 176.870 -0.081 0.000 1.079 205 L CA 1.709 56.489 54.840 -0.100 0.000 0.752 205 L CB -0.304 41.707 42.059 -0.080 0.000 0.906 205 L HN 0.339 nan 8.230 nan 0.000 0.436 206 R N -2.056 118.399 120.500 -0.074 0.000 2.787 206 R HA 0.600 4.940 4.340 -0.000 0.000 0.271 206 R C 0.313 176.586 176.300 -0.045 0.000 0.993 206 R CA 0.006 56.076 56.100 -0.050 0.000 0.993 206 R CB 1.298 31.575 30.300 -0.037 0.000 1.155 206 R HN 0.149 nan 8.270 nan 0.000 0.486 207 G N 0.063 108.848 108.800 -0.025 0.000 2.901 207 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.194 207 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.194 207 G C 0.049 174.949 174.900 0.001 0.000 1.020 207 G CA -0.108 44.986 45.100 -0.010 0.000 0.787 207 G HN 0.593 nan 8.290 nan 0.000 0.477 208 T N 1.149 115.700 114.554 -0.005 0.000 2.907 208 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 208 T C 1.338 176.045 174.700 0.012 0.000 1.004 208 T CA -0.063 62.040 62.100 0.006 0.000 1.063 208 T CB 0.755 69.624 68.868 0.002 0.000 0.992 208 T HN 0.831 nan 8.240 nan 0.000 0.483 209 I N 1.187 121.771 120.570 0.024 0.000 3.877 209 I HA 0.410 4.580 4.170 -0.000 0.000 0.332 209 I C 0.531 176.673 176.117 0.042 0.000 1.525 209 I CA -0.791 60.528 61.300 0.031 0.000 1.146 209 I CB -0.474 37.548 38.000 0.037 0.000 1.137 209 I HN 0.525 nan 8.210 nan 0.000 0.424 215 L N 0.453 121.672 121.223 -0.006 0.000 1.976 215 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 215 L C 2.621 179.486 176.870 -0.009 0.000 1.071 215 L CA 1.714 56.539 54.840 -0.024 0.000 0.746 215 L CB -1.496 40.532 42.059 -0.051 0.000 0.890 215 L HN 0.279 nan 8.230 nan 0.000 0.432 216 S N -0.194 115.510 115.700 0.007 0.000 2.359 216 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 216 S C -0.191 174.514 174.600 0.175 0.000 1.039 216 S CA 1.889 60.137 58.200 0.079 0.000 1.042 216 S CB -0.983 62.263 63.200 0.077 0.000 0.915 216 S HN 0.198 nan 8.310 nan 0.000 0.439 217 P HA -0.061 nan 4.420 nan 0.000 0.215 217 P C 1.458 178.817 177.300 0.097 0.000 1.157 217 P CA 1.121 64.250 63.100 0.048 0.000 0.868 217 P CB -0.152 31.541 31.700 -0.012 0.000 0.788 218 L N -1.300 119.952 121.223 0.050 0.000 2.191 218 L HA -0.137 4.202 4.340 -0.000 0.000 0.212 218 L C 2.308 179.191 176.870 0.021 0.000 1.103 218 L CA 1.297 56.152 54.840 0.024 0.000 0.769 218 L CB -0.916 41.143 42.059 -0.000 0.000 0.908 218 L HN 0.000 nan 8.230 nan 0.000 0.438 219 S N -1.243 114.473 115.700 0.027 0.000 2.402 219 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 219 S C 1.838 176.386 174.600 -0.087 0.000 1.021 219 S CA 1.019 59.187 58.200 -0.053 0.000 0.974 219 S CB -0.242 62.889 63.200 -0.116 0.000 0.800 219 S HN 0.340 nan 8.310 nan 0.000 0.484 220 Y N 1.585 121.840 120.300 -0.074 0.000 2.200 220 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 220 Y C 2.057 177.927 175.900 -0.049 0.000 1.137 220 Y CA 0.556 58.617 58.100 -0.066 0.000 1.163 220 Y CB -0.465 37.964 38.460 -0.050 0.000 0.988 220 Y HN 0.212 nan 8.280 nan 0.000 0.518 221 I N -0.643 119.983 120.570 0.093 0.000 2.179 221 I HA -0.353 3.817 4.170 -0.000 0.000 0.242 221 I C 2.600 178.678 176.117 -0.065 0.000 1.088 221 I CA 1.223 62.526 61.300 0.005 0.000 1.357 221 I CB -0.734 37.251 38.000 -0.025 0.000 1.051 221 I HN 0.178 nan 8.210 nan 0.000 0.409 222 A N 0.939 123.723 122.820 -0.060 0.000 1.883 222 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 222 A C 2.544 180.094 177.584 -0.056 0.000 1.186 222 A CA 2.082 54.075 52.037 -0.074 0.000 0.624 222 A CB -0.971 17.994 19.000 -0.059 0.000 0.822 222 A HN 0.447 nan 8.150 nan 0.000 0.444 223 A N -0.537 122.248 122.820 -0.058 0.000 2.019 223 A HA 0.180 4.500 4.320 -0.000 0.000 0.219 223 A C 2.380 179.999 177.584 0.058 0.000 1.164 223 A CA 1.991 54.017 52.037 -0.019 0.000 0.644 223 A CB -0.753 18.131 19.000 -0.194 0.000 0.805 223 A HN 1.036 nan 8.150 nan 0.000 0.449 224 A N 0.452 123.299 122.820 0.044 0.000 1.930 224 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 224 A C 2.052 179.730 177.584 0.157 0.000 1.176 224 A CA 1.203 53.328 52.037 0.146 0.000 0.632 224 A CB -0.595 18.526 19.000 0.202 0.000 0.819 224 A HN 0.945 nan 8.150 nan 0.000 0.445 225 I N -3.762 116.744 120.570 -0.106 0.000 3.059 225 I HA 0.057 4.227 4.170 -0.000 0.000 0.270 225 I C 1.368 177.496 176.117 0.019 0.000 1.238 225 I CA 1.375 62.567 61.300 -0.180 0.000 1.478 225 I CB 0.075 37.787 38.000 -0.479 0.000 1.097 225 I HN 0.036 nan 8.210 nan 0.000 0.455 226 S N 1.191 116.911 115.700 0.034 0.000 2.575 226 S HA 0.295 4.765 4.470 -0.000 0.000 0.215 226 S C 1.433 176.083 174.600 0.084 0.000 0.966 226 S CA 0.558 58.788 58.200 0.050 0.000 0.911 226 S CB 0.157 63.379 63.200 0.037 0.000 0.780 226 S HN 0.835 nan 8.310 nan 0.000 0.514 227 G N 2.570 111.448 108.800 0.130 0.000 2.225 227 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 227 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 227 G C -0.030 174.952 174.900 0.136 0.000 1.060 227 G CA -0.054 45.130 45.100 0.139 0.000 0.833 227 G HN 0.610 nan 8.290 nan 0.000 0.498 228 H N 1.147 120.253 119.070 0.059 0.000 3.016 228 H HA 0.077 4.633 4.556 -0.000 0.000 0.345 228 H C -0.331 175.047 175.328 0.083 0.000 1.066 228 H CA 0.033 56.107 56.048 0.043 0.000 1.390 228 H CB 1.290 31.058 29.762 0.011 0.000 1.344 228 H HN 0.222 nan 8.280 nan 0.000 0.605 229 P HA -0.127 nan 4.420 nan 0.000 0.217 229 P C 0.843 178.365 177.300 0.371 0.000 1.151 229 P CA 1.116 64.292 63.100 0.127 0.000 0.828 229 P CB 0.371 32.048 31.700 -0.038 0.000 0.788 230 D N -0.191 120.532 120.400 0.538 0.000 2.336 230 D HA 0.029 4.669 4.640 -0.000 0.000 0.228 230 D C -0.126 176.326 176.300 0.253 0.000 1.120 230 D CA 0.024 54.274 54.000 0.417 0.000 0.839 230 D CB -0.399 40.575 40.800 0.289 0.000 0.932 230 D HN -0.058 nan 8.370 nan 0.000 0.509 231 S N 0.576 116.442 115.700 0.276 0.000 2.410 231 S HA 0.277 4.747 4.470 -0.000 0.000 0.304 231 S C -0.291 174.353 174.600 0.074 0.000 1.095 231 S CA -0.647 57.632 58.200 0.132 0.000 1.089 231 S CB 0.266 63.550 63.200 0.140 0.000 0.968 231 S HN -0.078 nan 8.310 nan 0.000 0.480 232 K N 3.263 123.651 120.400 -0.020 0.000 2.138 232 K HA 0.556 4.876 4.320 -0.000 0.000 0.263 232 K C 0.059 176.683 176.600 0.038 0.000 0.965 232 K CA -0.618 55.607 56.287 -0.104 0.000 0.868 232 K CB 1.481 33.874 32.500 -0.177 0.000 1.083 232 K HN 0.518 nan 8.250 nan 0.000 0.443 233 V N -1.270 118.673 119.914 0.048 0.000 3.155 233 V HA 0.539 4.659 4.120 -0.000 0.000 0.313 233 V C -0.613 175.550 176.094 0.115 0.000 1.162 233 V CA -0.838 61.525 62.300 0.104 0.000 1.048 233 V CB 2.234 34.121 31.823 0.107 0.000 1.092 233 V HN 0.862 nan 8.190 nan 0.000 0.447 234 H N 0.314 119.406 119.070 0.036 0.000 2.524 234 H HA 0.872 5.428 4.556 -0.000 0.000 0.353 234 H C -1.537 173.800 175.328 0.014 0.000 1.136 234 H CA -0.211 55.861 56.048 0.039 0.000 1.193 234 H CB 1.920 31.708 29.762 0.044 0.000 1.558 234 H HN 0.835 nan 8.280 nan 0.000 0.515 235 V N 4.722 124.423 119.914 -0.356 0.000 3.204 235 V HA 0.310 4.430 4.120 -0.000 0.000 0.298 235 V C -1.521 174.463 176.094 -0.183 0.000 1.328 235 V CA -0.649 61.570 62.300 -0.136 0.000 1.035 235 V CB 2.464 34.251 31.823 -0.059 0.000 1.095 235 V HN 0.546 nan 8.190 nan 0.000 0.442 236 V N 4.688 124.622 119.914 0.033 0.000 2.311 236 V HA 0.444 4.564 4.120 -0.000 0.000 0.275 236 V C -0.600 175.611 176.094 0.195 0.000 1.022 236 V CA -0.492 61.859 62.300 0.085 0.000 0.830 236 V CB 0.835 32.730 31.823 0.120 0.000 1.012 236 V HN 0.886 nan 8.190 nan 0.000 0.452 237 H N 4.764 123.858 119.070 0.040 0.000 2.597 237 H HA 0.338 4.894 4.556 -0.000 0.000 0.303 237 H C 0.459 175.792 175.328 0.007 0.000 1.057 237 H CA -0.453 55.615 56.048 0.033 0.000 1.261 237 H CB 0.542 30.311 29.762 0.012 0.000 1.397 237 H HN 0.677 nan 8.280 nan 0.000 0.461 238 E N 3.903 124.052 120.200 -0.085 0.000 2.173 238 E HA -0.260 4.090 4.350 -0.000 0.000 0.160 238 E C 1.085 177.626 176.600 -0.097 0.000 1.581 238 E CA 1.476 57.783 56.400 -0.156 0.000 0.618 238 E CB -1.347 28.158 29.700 -0.326 0.000 1.049 238 E HN 1.185 nan 8.360 nan 0.000 0.311 239 G N 1.618 110.406 108.800 -0.021 0.000 4.391 239 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.210 239 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.210 239 G C 0.373 175.284 174.900 0.018 0.000 1.547 239 G CA 0.373 45.470 45.100 -0.004 0.000 1.103 239 G HN 0.509 nan 8.290 nan 0.000 0.637 240 K N 2.385 122.793 120.400 0.013 0.000 2.087 240 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 240 K C 0.165 176.791 176.600 0.045 0.000 0.988 240 K CA -0.051 56.257 56.287 0.034 0.000 0.915 240 K CB 0.621 33.139 32.500 0.030 0.000 1.043 240 K HN 0.626 nan 8.250 nan 0.000 0.457 241 E N 3.035 123.257 120.200 0.037 0.000 2.191 241 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 241 E C -0.767 175.807 176.600 -0.043 0.000 0.972 241 E CA -0.969 55.409 56.400 -0.036 0.000 0.804 241 E CB 1.732 31.424 29.700 -0.012 0.000 1.110 241 E HN 0.216 nan 8.360 nan 0.000 0.394 242 K N 2.313 122.651 120.400 -0.104 0.000 2.279 242 K HA 0.583 4.903 4.320 -0.000 0.000 0.238 242 K C -0.463 176.110 176.600 -0.045 0.000 1.084 242 K CA -1.046 55.237 56.287 -0.007 0.000 0.885 242 K CB 1.615 34.138 32.500 0.039 0.000 1.319 242 K HN 0.590 nan 8.250 nan 0.000 0.494 243 I N 3.152 123.780 120.570 0.095 0.000 2.595 243 I HA 0.145 4.314 4.170 -0.000 0.000 0.276 243 I C -0.984 175.162 176.117 0.047 0.000 1.109 243 I CA -0.547 60.820 61.300 0.111 0.000 1.084 243 I CB 0.853 39.005 38.000 0.253 0.000 1.206 243 I HN 0.080 nan 8.210 nan 0.000 0.486 244 L N 3.710 124.935 121.223 0.003 0.000 2.335 244 L HA 0.524 4.864 4.340 -0.000 0.000 0.268 244 L C 0.015 176.874 176.870 -0.019 0.000 1.016 244 L CA -0.995 53.851 54.840 0.009 0.000 0.805 244 L CB -0.070 42.015 42.059 0.043 0.000 1.311 244 L HN 0.242 nan 8.230 nan 0.000 0.456 245 Y N -0.125 120.190 120.300 0.025 0.000 2.357 245 Y HA 0.221 4.771 4.550 -0.000 0.000 0.340 245 Y C 1.574 177.506 175.900 0.054 0.000 1.260 245 Y CA 0.769 58.899 58.100 0.050 0.000 1.425 245 Y CB 0.498 38.981 38.460 0.039 0.000 1.326 245 Y HN 0.744 nan 8.280 nan 0.000 0.580 246 A N 3.276 126.231 122.820 0.226 0.000 1.852 246 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 246 A C 2.350 180.022 177.584 0.148 0.000 1.215 246 A CA 2.461 54.612 52.037 0.189 0.000 0.641 246 A CB -0.744 18.398 19.000 0.237 0.000 0.838 246 A HN 0.862 nan 8.150 nan 0.000 0.450 247 R N 0.310 120.904 120.500 0.156 0.000 2.115 247 R HA -0.247 4.093 4.340 -0.000 0.000 0.239 247 R C 1.870 178.215 176.300 0.074 0.000 1.133 247 R CA 2.171 58.333 56.100 0.103 0.000 0.935 247 R CB -1.370 28.976 30.300 0.076 0.000 0.853 247 R HN 0.724 nan 8.270 nan 0.000 0.433 248 E N 1.530 121.783 120.200 0.088 0.000 2.273 248 E HA -0.095 4.255 4.350 -0.000 0.000 0.198 248 E C 0.522 177.142 176.600 0.034 0.000 1.002 248 E CA 0.987 57.423 56.400 0.059 0.000 0.828 248 E CB 0.024 29.782 29.700 0.097 0.000 0.747 248 E HN 0.533 nan 8.360 nan 0.000 0.491 252 L N -0.850 120.377 121.223 0.006 0.000 2.558 252 L HA 0.456 4.796 4.340 -0.000 0.000 0.225 252 L C 0.604 177.228 176.870 -0.409 0.000 1.128 252 L CA 1.647 56.380 54.840 -0.178 0.000 0.868 252 L CB -0.178 41.753 42.059 -0.213 0.000 1.006 252 L HN 0.360 nan 8.230 nan 0.000 0.454 253 F N -1.712 118.134 119.950 -0.174 0.000 2.856 253 F HA 0.312 4.839 4.527 -0.000 0.000 0.338 253 F C 0.840 176.544 175.800 -0.160 0.000 1.100 253 F CA -0.779 57.081 58.000 -0.232 0.000 1.150 253 F CB -0.372 38.400 39.000 -0.381 0.000 1.101 253 F HN -0.064 nan 8.300 nan 0.000 0.548 254 N N 1.216 119.946 118.700 0.049 0.000 2.815 254 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 254 N C -1.101 174.455 175.510 0.076 0.000 1.110 254 N CA 0.292 53.367 53.050 0.041 0.000 0.699 254 N CB -1.146 37.355 38.487 0.023 0.000 1.040 254 N HN 0.166 nan 8.380 nan 0.000 0.555 255 L N -0.284 120.996 121.223 0.094 0.000 2.325 255 L HA 0.581 4.921 4.340 -0.000 0.000 0.278 255 L C 0.454 177.383 176.870 0.099 0.000 1.023 255 L CA -0.731 54.177 54.840 0.112 0.000 0.811 255 L CB 1.614 43.745 42.059 0.120 0.000 1.249 255 L HN 0.045 nan 8.230 nan 0.000 0.431 256 E N 2.841 123.103 120.200 0.104 0.000 2.158 256 E HA 0.416 4.766 4.350 -0.000 0.000 0.271 256 E C -2.377 174.286 176.600 0.104 0.000 0.911 256 E CA -1.785 54.666 56.400 0.086 0.000 0.767 256 E CB 1.320 31.059 29.700 0.064 0.000 1.120 256 E HN 0.209 nan 8.360 nan 0.000 0.405 257 P HA -0.037 nan 4.420 nan 0.000 0.266 257 P C -0.998 176.345 177.300 0.072 0.000 1.193 257 P CA -0.177 62.987 63.100 0.107 0.000 0.770 257 P CB 0.584 32.338 31.700 0.091 0.000 0.836 258 V N 3.801 123.750 119.914 0.058 0.000 2.539 258 V HA 0.284 4.404 4.120 -0.000 0.000 0.292 258 V C -0.140 175.967 176.094 0.021 0.000 1.045 258 V CA -0.629 61.691 62.300 0.033 0.000 0.945 258 V CB 1.749 33.583 31.823 0.018 0.000 0.993 258 V HN 0.398 nan 8.190 nan 0.000 0.464 259 V N 6.441 126.365 119.914 0.017 0.000 2.432 259 V HA 0.442 4.561 4.120 -0.000 0.000 0.275 259 V C 0.769 176.866 176.094 0.006 0.000 1.043 259 V CA -0.203 62.103 62.300 0.011 0.000 0.925 259 V CB 0.854 32.683 31.823 0.010 0.000 0.985 259 V HN 0.832 nan 8.190 nan 0.000 0.466 260 L N 4.464 125.689 121.223 0.004 0.000 1.863 260 L HA 0.508 4.848 4.340 -0.000 0.000 0.225 260 L C 1.338 178.209 176.870 0.003 0.000 1.098 260 L CA 1.464 56.305 54.840 0.001 0.000 0.814 260 L CB -0.704 41.355 42.059 0.000 0.000 0.888 260 L HN 1.152 nan 8.230 nan 0.000 0.431 261 G N -2.192 106.610 108.800 0.003 0.000 2.375 261 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.663 261 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.663 261 G C -3.029 171.874 174.900 0.005 0.000 1.391 261 G CA -1.284 43.818 45.100 0.004 0.000 0.949 261 G HN 0.059 nan 8.290 nan 0.000 0.646 262 P HA 0.097 nan 4.420 nan 0.000 0.259 262 P C 0.461 177.766 177.300 0.009 0.000 1.163 262 P CA 0.804 63.906 63.100 0.004 0.000 0.760 262 P CB 0.383 32.082 31.700 -0.001 0.000 0.762 263 K N 1.809 122.216 120.400 0.011 0.000 3.495 263 K HA -0.279 4.041 4.320 -0.000 0.000 0.315 263 K C 1.203 177.812 176.600 0.015 0.000 1.301 263 K CA 1.630 57.926 56.287 0.016 0.000 0.985 263 K CB -1.697 30.816 32.500 0.022 0.000 1.244 263 K HN 0.585 nan 8.250 nan 0.000 0.433 264 E N 0.188 120.395 120.200 0.011 0.000 2.274 264 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 264 E C 1.951 178.552 176.600 0.001 0.000 0.996 264 E CA 1.216 57.621 56.400 0.007 0.000 0.840 264 E CB -0.086 29.616 29.700 0.005 0.000 0.772 264 E HN 0.481 nan 8.360 nan 0.000 0.491 265 G N 0.568 109.369 108.800 0.001 0.000 2.411 265 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.213 265 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.213 265 G C 1.394 176.291 174.900 -0.005 0.000 1.166 265 G CA 0.366 45.464 45.100 -0.004 0.000 0.802 265 G HN 0.295 nan 8.290 nan 0.000 0.533 266 L N 1.533 122.757 121.223 0.003 0.000 2.291 266 L HA 0.273 4.613 4.340 -0.000 0.000 0.214 266 L C 2.432 179.304 176.870 0.003 0.000 1.120 266 L CA 1.766 56.607 54.840 0.002 0.000 0.799 266 L CB -0.371 41.693 42.059 0.009 0.000 0.925 266 L HN 0.126 nan 8.230 nan 0.000 0.446 267 G N -1.359 107.446 108.800 0.008 0.000 2.880 267 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.209 267 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.209 267 G C 1.245 176.148 174.900 0.005 0.000 1.157 267 G CA 0.579 45.687 45.100 0.014 0.000 0.779 267 G HN 0.368 nan 8.290 nan 0.000 0.539 268 L N 0.710 121.930 121.223 -0.006 0.000 2.467 268 L HA 0.255 4.594 4.340 -0.000 0.000 0.213 268 L C 2.625 179.483 176.870 -0.019 0.000 1.053 268 L CA 1.122 55.952 54.840 -0.016 0.000 0.847 268 L CB 0.161 42.204 42.059 -0.026 0.000 1.075 268 L HN 0.051 nan 8.230 nan 0.000 0.479 269 V N -2.308 117.593 119.914 -0.021 0.000 2.788 269 V HA -0.002 4.118 4.120 -0.000 0.000 0.251 269 V C 1.260 177.344 176.094 -0.017 0.000 1.068 269 V CA 0.565 62.851 62.300 -0.024 0.000 1.090 269 V CB -1.322 30.479 31.823 -0.037 0.000 0.710 269 V HN 0.536 nan 8.190 nan 0.000 0.467 270 N N 0.592 119.284 118.700 -0.013 0.000 2.344 270 N HA 0.401 5.141 4.740 -0.000 0.000 0.236 270 N C 0.381 175.904 175.510 0.021 0.000 1.279 270 N CA 1.179 54.226 53.050 -0.005 0.000 0.882 270 N CB 0.274 38.763 38.487 0.003 0.000 1.110 270 N HN 0.887 nan 8.380 nan 0.000 0.436 271 G N -0.250 108.582 108.800 0.053 0.000 2.434 271 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.671 271 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.671 271 G C -0.281 174.658 174.900 0.066 0.000 1.280 271 G CA -0.120 45.021 45.100 0.069 0.000 0.975 271 G HN 0.586 nan 8.290 nan 0.000 0.510 272 T N -0.252 114.332 114.554 0.050 0.000 3.442 272 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 272 T C 1.758 176.465 174.700 0.011 0.000 1.007 272 T CA 1.369 63.492 62.100 0.038 0.000 0.962 272 T CB -0.575 68.323 68.868 0.050 0.000 1.187 272 T HN 1.806 nan 8.240 nan 0.000 0.490 273 A N 0.283 123.105 122.820 0.003 0.000 2.019 273 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 273 A C 2.156 179.731 177.584 -0.014 0.000 1.164 273 A CA 1.595 53.626 52.037 -0.011 0.000 0.644 273 A CB -0.559 18.431 19.000 -0.016 0.000 0.805 273 A HN 0.491 nan 8.150 nan 0.000 0.449 274 V N 0.753 120.661 119.914 -0.010 0.000 2.307 274 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 274 V C 2.935 179.019 176.094 -0.017 0.000 1.045 274 V CA 2.274 64.564 62.300 -0.016 0.000 1.024 274 V CB -0.958 30.856 31.823 -0.015 0.000 0.651 274 V HN 0.781 nan 8.190 nan 0.000 0.449 275 S N 1.092 116.786 115.700 -0.010 0.000 2.406 275 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 275 S C 2.063 176.654 174.600 -0.015 0.000 1.020 275 S CA 1.080 59.274 58.200 -0.010 0.000 0.965 275 S CB -0.391 62.808 63.200 -0.001 0.000 0.798 275 S HN 0.539 nan 8.310 nan 0.000 0.488 276 A N 1.658 124.469 122.820 -0.016 0.000 1.930 276 A HA 0.137 4.456 4.320 -0.000 0.000 0.217 276 A C 1.699 179.265 177.584 -0.030 0.000 1.175 276 A CA 1.117 53.140 52.037 -0.024 0.000 0.627 276 A CB -1.044 17.940 19.000 -0.027 0.000 0.815 276 A HN 0.554 nan 8.150 nan 0.000 0.443 280 T N 1.292 115.831 114.554 -0.026 0.000 2.684 280 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 280 T C 1.780 176.489 174.700 0.016 0.000 1.036 280 T CA 1.980 64.067 62.100 -0.022 0.000 1.148 280 T CB -0.332 68.513 68.868 -0.039 0.000 0.863 280 T HN 0.185 nan 8.240 nan 0.000 0.436 281 L N 1.125 122.345 121.223 -0.005 0.000 2.042 281 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 281 L C 2.773 179.677 176.870 0.057 0.000 1.076 281 L CA 1.588 56.429 54.840 0.003 0.000 0.749 281 L CB -1.420 40.621 42.059 -0.030 0.000 0.893 281 L HN 0.253 nan 8.230 nan 0.000 0.432 282 A N -1.115 121.720 122.820 0.025 0.000 1.898 282 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 282 A C 2.253 179.842 177.584 0.008 0.000 1.181 282 A CA 1.524 53.571 52.037 0.017 0.000 0.620 282 A CB -0.789 18.208 19.000 -0.005 0.000 0.819 282 A HN 0.323 nan 8.150 nan 0.000 0.442 283 L N -0.474 120.745 121.223 -0.006 0.000 2.017 283 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 283 L C 2.320 179.160 176.870 -0.050 0.000 1.073 283 L CA 2.880 57.670 54.840 -0.083 0.000 0.745 283 L CB -1.104 40.913 42.059 -0.070 0.000 0.894 283 L HN 0.659 nan 8.230 nan 0.000 0.432 284 H N -0.538 118.542 119.070 0.017 0.000 2.289 284 H HA -0.222 4.334 4.556 -0.000 0.000 0.294 284 H C 1.747 177.121 175.328 0.077 0.000 1.095 284 H CA 2.527 58.640 56.048 0.109 0.000 1.256 284 H CB -0.131 29.671 29.762 0.066 0.000 1.359 284 H HN 0.429 nan 8.280 nan 0.000 0.487 285 D N -0.034 120.437 120.400 0.118 0.000 2.178 285 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 285 D C 2.243 178.535 176.300 -0.013 0.000 0.974 285 D CA 1.153 55.179 54.000 0.044 0.000 0.841 285 D CB -0.641 40.204 40.800 0.074 0.000 0.953 285 D HN 0.586 nan 8.370 nan 0.000 0.478 286 A N 1.156 123.953 122.820 -0.039 0.000 1.902 286 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 286 A C 1.243 178.797 177.584 -0.049 0.000 1.181 286 A CA 1.018 53.016 52.037 -0.065 0.000 0.623 286 A CB -0.622 18.305 19.000 -0.122 0.000 0.818 286 A HN 0.233 nan 8.150 nan 0.000 0.443 290 S N 0.222 115.951 115.700 0.048 0.000 2.353 290 S HA -0.093 4.377 4.470 -0.000 0.000 0.222 290 S C 1.947 176.575 174.600 0.045 0.000 1.035 290 S CA 1.889 60.126 58.200 0.060 0.000 1.025 290 S CB -0.139 63.108 63.200 0.079 0.000 0.902 290 S HN 0.329 nan 8.310 nan 0.000 0.440 291 L N 0.844 122.083 121.223 0.026 0.000 2.083 291 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 291 L C 2.515 179.383 176.870 -0.004 0.000 1.083 291 L CA 0.908 55.748 54.840 0.000 0.000 0.752 291 L CB -0.611 41.434 42.059 -0.024 0.000 0.899 291 L HN 0.370 nan 8.230 nan 0.000 0.433 292 L N -0.712 120.512 121.223 0.002 0.000 2.201 292 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 292 L C 2.630 179.503 176.870 0.005 0.000 1.105 292 L CA 1.689 56.528 54.840 -0.001 0.000 0.775 292 L CB -0.442 41.623 42.059 0.010 0.000 0.913 292 L HN 0.143 nan 8.230 nan 0.000 0.440 293 S N -1.242 114.478 115.700 0.034 0.000 2.387 293 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 293 S C 1.913 176.540 174.600 0.044 0.000 1.026 293 S CA 1.230 59.467 58.200 0.061 0.000 0.972 293 S CB -0.152 63.108 63.200 0.101 0.000 0.814 293 S HN 0.685 nan 8.310 nan 0.000 0.477 294 Q N 0.468 120.285 119.800 0.029 0.000 2.119 294 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 294 Q C 2.437 178.419 176.000 -0.031 0.000 0.972 294 Q CA 1.640 57.449 55.803 0.009 0.000 0.847 294 Q CB -0.168 28.569 28.738 -0.002 0.000 0.903 294 Q HN 0.537 nan 8.270 nan 0.000 0.433 295 S N 0.915 116.593 115.700 -0.036 0.000 2.355 295 S HA -0.112 4.357 4.470 -0.000 0.000 0.222 295 S C 1.756 176.313 174.600 -0.071 0.000 1.031 295 S CA 0.770 58.940 58.200 -0.051 0.000 0.993 295 S CB -0.167 63.009 63.200 -0.040 0.000 0.859 295 S HN 0.171 nan 8.310 nan 0.000 0.453 296 L N 1.798 122.964 121.223 -0.094 0.000 2.191 296 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 296 L C 2.343 179.145 176.870 -0.113 0.000 1.103 296 L CA 1.581 56.296 54.840 -0.208 0.000 0.769 296 L CB -1.504 40.350 42.059 -0.341 0.000 0.908 296 L HN 0.285 nan 8.230 nan 0.000 0.438 297 T N -0.783 113.759 114.554 -0.021 0.000 2.896 297 T HA 0.093 4.443 4.350 -0.000 0.000 0.263 297 T C 1.102 175.795 174.700 -0.012 0.000 1.050 297 T CA 0.684 62.807 62.100 0.038 0.000 1.140 297 T CB -0.148 68.763 68.868 0.071 0.000 0.877 297 T HN 0.394 nan 8.240 nan 0.000 0.457 301 V N 2.254 122.160 119.914 -0.013 0.000 2.295 301 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 301 V C 2.381 178.438 176.094 -0.062 0.000 1.049 301 V CA 2.247 64.546 62.300 -0.002 0.000 1.024 301 V CB -0.422 31.427 31.823 0.044 0.000 0.648 301 V HN 0.536 nan 8.190 nan 0.000 0.447 302 E N 0.511 120.661 120.200 -0.084 0.000 2.031 302 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 302 E C 1.409 177.785 176.600 -0.373 0.000 0.994 302 E CA 0.929 57.247 56.400 -0.137 0.000 0.800 302 E CB -0.282 29.367 29.700 -0.085 0.000 0.752 302 E HN 0.628 nan 8.360 nan 0.000 0.447 306 G N -0.590 108.109 108.800 -0.169 0.000 2.543 306 G HA2 0.538 4.498 3.960 -0.000 0.000 0.290 306 G HA3 0.538 4.498 3.960 -0.000 0.000 0.290 306 G C -0.537 174.157 174.900 -0.343 0.000 1.310 306 G CA -0.437 44.484 45.100 -0.297 0.000 1.025 306 G HN 0.474 nan 8.290 nan 0.000 0.502 307 H N -0.147 118.960 119.070 0.060 0.000 2.552 307 H HA 0.412 4.968 4.556 -0.000 0.000 0.311 307 H C 0.791 176.205 175.328 0.144 0.000 1.071 307 H CA -0.051 56.031 56.048 0.056 0.000 1.307 307 H CB 1.572 31.359 29.762 0.043 0.000 1.416 307 H HN 0.503 nan 8.280 nan 0.000 0.464 308 A N 2.898 125.844 122.820 0.211 0.000 2.252 308 A HA 0.055 4.375 4.320 -0.000 0.000 0.207 308 A C 2.187 180.032 177.584 0.434 0.000 1.194 308 A CA 0.700 52.948 52.037 0.350 0.000 0.809 308 A CB -0.434 18.659 19.000 0.155 0.000 0.814 308 A HN 0.808 nan 8.150 nan 0.000 0.482 309 G N -0.066 108.918 108.800 0.306 0.000 2.572 309 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.216 309 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.216 309 G C 1.517 176.508 174.900 0.152 0.000 1.133 309 G CA 1.002 46.251 45.100 0.248 0.000 0.791 309 G HN 0.690 nan 8.290 nan 0.000 0.538 310 S N 0.076 115.757 115.700 -0.032 0.000 2.603 310 S HA 0.137 4.607 4.470 -0.000 0.000 0.229 310 S C 1.083 175.452 174.600 -0.385 0.000 0.972 310 S CA 0.080 58.098 58.200 -0.304 0.000 0.935 310 S CB -0.363 62.538 63.200 -0.499 0.000 0.769 310 S HN 0.267 nan 8.310 nan 0.000 0.536 311 F N 0.597 120.729 119.950 0.305 0.000 2.683 311 F HA 0.357 4.884 4.527 -0.000 0.000 0.306 311 F C 1.002 177.013 175.800 0.351 0.000 1.102 311 F CA -1.014 57.199 58.000 0.355 0.000 1.244 311 F CB -0.169 38.931 39.000 0.166 0.000 1.029 311 F HN 0.255 nan 8.300 nan 0.000 0.545 312 H N 5.086 124.357 119.070 0.334 0.000 2.964 312 H HA 0.036 4.592 4.556 -0.000 0.000 0.328 312 H C -1.493 174.005 175.328 0.283 0.000 1.030 312 H CA -1.253 54.956 56.048 0.268 0.000 1.445 312 H CB 1.468 31.346 29.762 0.193 0.000 1.449 312 H HN -0.015 nan 8.280 nan 0.000 0.581 313 P HA -0.207 nan 4.420 nan 0.000 0.222 313 P C 1.500 178.966 177.300 0.276 0.000 1.142 313 P CA 1.000 64.212 63.100 0.188 0.000 0.788 313 P CB -0.210 31.517 31.700 0.045 0.000 0.767 314 F N 0.903 121.092 119.950 0.400 0.000 2.186 314 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 314 F C 2.048 177.861 175.800 0.021 0.000 1.090 314 F CA 1.135 59.254 58.000 0.198 0.000 1.307 314 F CB -0.604 38.479 39.000 0.138 0.000 1.019 314 F HN -0.288 nan 8.300 nan 0.000 0.489 315 L N -0.566 120.632 121.223 -0.042 0.000 2.551 315 L HA -0.087 4.252 4.340 -0.000 0.000 0.228 315 L C 1.538 178.004 176.870 -0.674 0.000 1.153 315 L CA 0.366 54.964 54.840 -0.403 0.000 0.851 315 L CB -0.521 41.255 42.059 -0.473 0.000 0.959 315 L HN 0.317 nan 8.230 nan 0.000 0.451 316 H N -2.091 116.978 119.070 -0.002 0.000 2.010 316 H HA 0.096 4.652 4.556 -0.000 0.000 0.175 316 H C 1.220 176.533 175.328 -0.024 0.000 0.966 316 H CA 0.266 56.317 56.048 0.005 0.000 1.080 316 H CB -0.314 29.483 29.762 0.058 0.000 1.072 316 H HN 0.051 nan 8.280 nan 0.000 0.373 317 D N 1.242 121.726 120.400 0.139 0.000 2.190 317 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 317 D C 2.015 178.303 176.300 -0.020 0.000 0.992 317 D CA 1.420 55.455 54.000 0.058 0.000 0.854 317 D CB 0.233 41.075 40.800 0.070 0.000 0.936 317 D HN 0.080 nan 8.370 nan 0.000 0.462 318 V N -0.241 119.612 119.914 -0.101 0.000 2.521 318 V HA -0.070 4.050 4.120 -0.000 0.000 0.239 318 V C 2.449 178.379 176.094 -0.273 0.000 1.053 318 V CA 1.621 63.803 62.300 -0.196 0.000 1.073 318 V CB -0.549 31.093 31.823 -0.301 0.000 0.746 318 V HN 0.314 nan 8.190 nan 0.000 0.476 319 T N -1.928 112.392 114.554 -0.389 0.000 3.043 319 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 319 T C 1.189 175.786 174.700 -0.173 0.000 1.094 319 T CA 0.580 62.488 62.100 -0.321 0.000 1.127 319 T CB 0.144 68.762 68.868 -0.417 0.000 0.905 319 T HN 0.296 nan 8.240 nan 0.000 0.490 320 R N 1.629 122.057 120.500 -0.119 0.000 2.837 320 R HA 0.220 4.560 4.340 -0.000 0.000 0.245 320 R C -2.709 173.569 176.300 -0.037 0.000 1.712 320 R CA -1.358 54.707 56.100 -0.058 0.000 1.539 320 R CB 1.192 31.510 30.300 0.030 0.000 1.490 320 R HN 0.110 nan 8.270 nan 0.000 0.667 321 P HA -0.113 nan 4.420 nan 0.000 0.311 321 P C -0.611 176.637 177.300 -0.087 0.000 1.543 321 P CA 0.347 63.401 63.100 -0.078 0.000 0.766 321 P CB -0.335 31.311 31.700 -0.090 0.000 1.711 322 H N 0.861 119.945 119.070 0.023 0.000 3.017 322 H HA 0.084 4.640 4.556 -0.000 0.000 0.276 322 H C -1.254 174.087 175.328 0.021 0.000 1.062 322 H CA -1.404 54.655 56.048 0.019 0.000 1.486 322 H CB 0.457 30.231 29.762 0.020 0.000 1.507 322 H HN 0.090 nan 8.280 nan 0.000 0.508 323 P HA -0.251 nan 4.420 nan 0.000 0.218 323 P C 1.655 178.993 177.300 0.064 0.000 1.165 323 P CA 2.789 65.931 63.100 0.071 0.000 0.922 323 P CB 0.109 31.844 31.700 0.058 0.000 0.794 324 T N -3.429 111.164 114.554 0.065 0.000 2.915 324 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 324 T C 1.949 176.669 174.700 0.034 0.000 1.071 324 T CA 1.119 63.243 62.100 0.038 0.000 1.132 324 T CB -0.901 67.983 68.868 0.027 0.000 0.878 324 T HN 0.187 nan 8.240 nan 0.000 0.479 325 Q N 0.583 120.421 119.800 0.063 0.000 2.084 325 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 325 Q C 2.317 178.308 176.000 -0.015 0.000 0.978 325 Q CA 1.381 57.213 55.803 0.047 0.000 0.844 325 Q CB -0.321 28.500 28.738 0.139 0.000 0.898 325 Q HN 0.632 nan 8.270 nan 0.000 0.426 326 I N 0.580 121.173 120.570 0.038 0.000 2.163 326 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 326 I C 2.506 178.617 176.117 -0.009 0.000 1.085 326 I CA 1.570 62.886 61.300 0.028 0.000 1.347 326 I CB -0.443 37.590 38.000 0.056 0.000 1.044 326 I HN 0.391 nan 8.210 nan 0.000 0.408 327 E N 1.027 121.227 120.200 0.001 0.000 2.038 327 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 327 E C 2.282 178.871 176.600 -0.018 0.000 1.000 327 E CA 1.984 58.380 56.400 -0.007 0.000 0.803 327 E CB 0.066 29.764 29.700 -0.002 0.000 0.750 327 E HN 0.267 nan 8.360 nan 0.000 0.448 328 V N 1.331 121.234 119.914 -0.017 0.000 2.295 328 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 328 V C 2.532 178.612 176.094 -0.023 0.000 1.049 328 V CA 1.826 64.120 62.300 -0.009 0.000 1.024 328 V CB -0.923 30.912 31.823 0.020 0.000 0.648 328 V HN 0.485 nan 8.190 nan 0.000 0.447 329 A N 0.679 123.445 122.820 -0.090 0.000 1.883 329 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 329 A C 2.446 180.032 177.584 0.004 0.000 1.186 329 A CA 2.122 54.110 52.037 -0.082 0.000 0.624 329 A CB -1.350 17.329 19.000 -0.536 0.000 0.822 329 A HN 0.539 nan 8.150 nan 0.000 0.444 330 G N -0.155 108.636 108.800 -0.015 0.000 2.442 330 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 330 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 330 G C 1.448 176.330 174.900 -0.030 0.000 1.141 330 G CA 1.105 46.203 45.100 -0.004 0.000 0.763 330 G HN 0.544 nan 8.290 nan 0.000 0.554 331 N N 0.663 119.337 118.700 -0.044 0.000 2.106 331 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 331 N C 2.269 177.716 175.510 -0.104 0.000 1.029 331 N CA 0.902 53.916 53.050 -0.060 0.000 0.848 331 N CB -0.229 38.228 38.487 -0.050 0.000 1.007 331 N HN 0.349 nan 8.380 nan 0.000 0.423 332 I N 0.834 121.303 120.570 -0.168 0.000 2.315 332 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 332 I C 2.603 178.508 176.117 -0.352 0.000 1.117 332 I CA 0.611 61.703 61.300 -0.347 0.000 1.404 332 I CB -0.170 37.435 38.000 -0.658 0.000 1.071 332 I HN 0.085 nan 8.210 nan 0.000 0.419 333 R N 1.642 122.016 120.500 -0.209 0.000 2.120 333 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 333 R C 2.287 178.566 176.300 -0.035 0.000 1.123 333 R CA 1.522 57.585 56.100 -0.062 0.000 0.975 333 R CB -0.092 30.247 30.300 0.065 0.000 0.866 333 R HN 0.275 nan 8.270 nan 0.000 0.446 334 K N 0.544 120.916 120.400 -0.047 0.000 2.103 334 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 334 K C 2.059 178.641 176.600 -0.029 0.000 1.052 334 K CA 0.993 57.263 56.287 -0.028 0.000 0.945 334 K CB -0.026 32.456 32.500 -0.030 0.000 0.722 334 K HN 0.200 nan 8.250 nan 0.000 0.443 335 L N 0.807 121.996 121.223 -0.057 0.000 2.201 335 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 335 L C 2.031 178.891 176.870 -0.018 0.000 1.105 335 L CA 0.255 55.069 54.840 -0.044 0.000 0.775 335 L CB -0.205 41.811 42.059 -0.072 0.000 0.913 335 L HN 0.177 nan 8.230 nan 0.000 0.440 336 L N -0.351 120.859 121.223 -0.022 0.000 2.270 336 L HA 0.018 4.358 4.340 -0.000 0.000 0.210 336 L C 1.019 177.980 176.870 0.151 0.000 1.104 336 L CA 0.756 55.627 54.840 0.052 0.000 0.804 336 L CB -0.564 41.511 42.059 0.027 0.000 0.937 336 L HN 0.161 nan 8.230 nan 0.000 0.450 337 E N -0.236 120.020 120.200 0.093 0.000 2.558 337 E HA 0.202 4.552 4.350 -0.000 0.000 0.255 337 E C 1.176 177.801 176.600 0.040 0.000 0.968 337 E CA 0.787 57.219 56.400 0.053 0.000 0.939 337 E CB -0.106 29.599 29.700 0.010 0.000 0.921 337 E HN 0.395 nan 8.360 nan 0.000 0.477 338 G N 2.910 111.712 108.800 0.002 0.000 2.176 338 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.253 338 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.253 338 G C 0.364 175.320 174.900 0.094 0.000 0.979 338 G CA 0.270 45.380 45.100 0.016 0.000 0.641 338 G HN 0.553 nan 8.290 nan 0.000 0.530 339 S N -0.295 115.527 115.700 0.204 0.000 2.499 339 S HA 0.573 5.043 4.470 -0.000 0.000 0.275 339 S C 1.355 176.108 174.600 0.254 0.000 1.257 339 S CA -0.152 58.178 58.200 0.217 0.000 1.050 339 S CB 0.627 63.957 63.200 0.216 0.000 0.937 339 S HN 0.352 nan 8.310 nan 0.000 0.490 340 R N 3.481 124.073 120.500 0.153 0.000 2.388 340 R HA 0.310 4.650 4.340 -0.000 0.000 0.247 340 R C 0.261 176.643 176.300 0.136 0.000 0.931 340 R CA 0.291 56.478 56.100 0.146 0.000 1.082 340 R CB -0.133 30.267 30.300 0.168 0.000 1.135 340 R HN 0.565 nan 8.270 nan 0.000 0.525 341 F N -0.083 119.961 119.950 0.157 0.000 2.437 341 F HA 0.416 4.943 4.527 -0.000 0.000 0.288 341 F C 1.129 176.945 175.800 0.027 0.000 1.085 341 F CA -0.554 57.497 58.000 0.084 0.000 1.430 341 F CB -0.099 38.880 39.000 -0.035 0.000 1.120 341 F HN -0.096 nan 8.300 nan 0.000 0.556 342 A N 0.435 123.344 122.820 0.149 0.000 2.303 342 A HA 0.590 4.910 4.320 -0.000 0.000 0.317 342 A C -0.454 176.993 177.584 -0.228 0.000 1.149 342 A CA -0.469 51.535 52.037 -0.054 0.000 0.822 342 A CB 0.450 19.387 19.000 -0.105 0.000 1.131 342 A HN -0.094 nan 8.150 nan 0.000 0.493 343 V N 2.893 122.706 119.914 -0.169 0.000 2.614 343 V HA 0.126 4.246 4.120 -0.000 0.000 0.291 343 V C 0.922 176.871 176.094 -0.242 0.000 1.049 343 V CA 0.109 62.343 62.300 -0.110 0.000 1.038 343 V CB 0.475 32.359 31.823 0.102 0.000 0.980 343 V HN 1.006 nan 8.190 nan 0.000 0.481 344 H N 3.086 122.129 119.070 -0.045 0.000 2.855 344 H HA 0.205 4.761 4.556 -0.000 0.000 0.259 344 H C -0.218 175.037 175.328 -0.121 0.000 0.972 344 H CA 0.680 56.649 56.048 -0.132 0.000 1.213 344 H CB 0.723 30.302 29.762 -0.305 0.000 1.451 344 H HN 0.992 nan 8.280 nan 0.000 0.484 345 H N -1.399 117.790 119.070 0.199 0.000 3.179 345 H HA 0.267 4.823 4.556 -0.000 0.000 0.301 345 H C -0.974 174.401 175.328 0.079 0.000 1.382 345 H CA -0.634 55.486 56.048 0.120 0.000 1.605 345 H CB -0.361 29.466 29.762 0.109 0.000 2.343 345 H HN -0.041 nan 8.280 nan 0.000 0.372 362 R N 1.303 121.858 120.500 0.092 0.000 2.707 362 R HA 0.268 4.608 4.340 -0.000 0.000 0.270 362 R C 0.885 177.307 176.300 0.203 0.000 1.083 362 R CA -0.035 56.138 56.100 0.122 0.000 1.182 362 R CB 0.198 30.513 30.300 0.026 0.000 1.084 362 R HN 0.385 nan 8.270 nan 0.000 0.528 363 Y N 1.770 122.039 120.300 -0.052 0.000 2.114 363 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 363 Y C -0.799 175.042 175.900 -0.098 0.000 1.165 363 Y CA 1.420 59.480 58.100 -0.067 0.000 1.148 363 Y CB -1.551 36.858 38.460 -0.085 0.000 0.972 363 Y HN 0.648 nan 8.280 nan 0.000 0.504 364 P HA -0.176 nan 4.420 nan 0.000 0.219 364 P C 1.331 178.633 177.300 0.003 0.000 1.144 364 P CA 1.709 64.773 63.100 -0.061 0.000 0.806 364 P CB -0.058 31.586 31.700 -0.093 0.000 0.771 365 L N -2.585 118.666 121.223 0.047 0.000 2.515 365 L HA 0.192 4.532 4.340 -0.000 0.000 0.202 365 L C 2.620 179.526 176.870 0.060 0.000 1.056 365 L CA 0.100 55.003 54.840 0.105 0.000 0.847 365 L CB -0.426 41.700 42.059 0.111 0.000 1.131 365 L HN -0.294 nan 8.230 nan 0.000 0.484 366 R N 0.420 120.919 120.500 -0.001 0.000 2.096 366 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 366 R C 1.622 177.846 176.300 -0.128 0.000 1.127 366 R CA 1.938 57.977 56.100 -0.103 0.000 0.968 366 R CB -0.063 30.200 30.300 -0.063 0.000 0.861 366 R HN 0.415 nan 8.270 nan 0.000 0.440 367 T N -2.116 112.386 114.554 -0.086 0.000 3.223 367 T HA 0.080 4.430 4.350 -0.000 0.000 0.259 367 T C 1.385 176.142 174.700 0.094 0.000 1.015 367 T CA 0.299 62.372 62.100 -0.046 0.000 0.908 367 T CB 0.491 69.280 68.868 -0.131 0.000 1.054 367 T HN 0.183 nan 8.240 nan 0.000 0.567 368 S N 2.051 117.820 115.700 0.114 0.000 2.382 368 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 368 S C -0.752 173.994 174.600 0.243 0.000 1.027 368 S CA 0.579 58.903 58.200 0.206 0.000 0.991 368 S CB -1.592 61.750 63.200 0.236 0.000 0.823 368 S HN 0.419 nan 8.310 nan 0.000 0.469 369 P HA -0.092 nan 4.420 nan 0.000 0.216 369 P C 1.598 178.976 177.300 0.130 0.000 1.153 369 P CA 1.183 64.360 63.100 0.129 0.000 0.848 369 P CB -0.203 31.490 31.700 -0.012 0.000 0.787 370 Q N -1.651 118.245 119.800 0.160 0.000 2.472 370 Q HA -0.122 4.218 4.340 -0.000 0.000 0.208 370 Q C 1.765 177.854 176.000 0.149 0.000 0.958 370 Q CA 0.891 56.771 55.803 0.128 0.000 0.932 370 Q CB -1.142 27.667 28.738 0.117 0.000 1.007 370 Q HN 0.502 nan 8.270 nan 0.000 0.508 371 W N 1.064 122.375 121.300 0.019 0.000 2.640 371 W HA 0.165 4.825 4.660 -0.000 0.000 0.271 371 W C 1.169 177.703 176.519 0.025 0.000 1.218 371 W CA 0.259 57.619 57.345 0.025 0.000 1.382 371 W CB 0.321 29.810 29.460 0.048 0.000 1.067 371 W HN 0.080 nan 8.180 nan 0.000 0.590 372 L N 0.194 121.561 121.223 0.240 0.000 2.416 372 L HA 0.154 4.494 4.340 -0.000 0.000 0.216 372 L C 2.671 179.560 176.870 0.032 0.000 1.098 372 L CA 0.744 55.665 54.840 0.134 0.000 0.840 372 L CB -1.222 40.941 42.059 0.173 0.000 0.981 372 L HN -0.082 nan 8.230 nan 0.000 0.462 373 G N 1.832 110.646 108.800 0.023 0.000 2.553 373 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 373 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 373 G C -0.702 174.165 174.900 -0.056 0.000 1.195 373 G CA 0.969 46.062 45.100 -0.011 0.000 0.779 373 G HN 0.294 nan 8.290 nan 0.000 0.577 374 P HA -0.031 nan 4.420 nan 0.000 0.216 374 P C 1.847 179.085 177.300 -0.103 0.000 1.150 374 P CA 0.569 63.583 63.100 -0.143 0.000 0.837 374 P CB -0.030 31.543 31.700 -0.212 0.000 0.786 375 L N -1.309 119.857 121.223 -0.094 0.000 2.056 375 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 375 L C 2.397 179.262 176.870 -0.010 0.000 1.078 375 L CA 1.657 56.464 54.840 -0.056 0.000 0.749 375 L CB -1.671 40.367 42.059 -0.037 0.000 0.901 375 L HN -0.133 nan 8.230 nan 0.000 0.433 376 V N -1.705 118.214 119.914 0.007 0.000 2.427 376 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 376 V C 2.663 178.783 176.094 0.044 0.000 1.051 376 V CA 1.707 64.030 62.300 0.038 0.000 1.048 376 V CB -0.636 31.210 31.823 0.037 0.000 0.666 376 V HN 0.488 nan 8.190 nan 0.000 0.456 377 S N -0.378 115.335 115.700 0.021 0.000 2.383 377 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 377 S C 1.764 176.399 174.600 0.057 0.000 1.026 377 S CA 1.586 59.808 58.200 0.036 0.000 0.981 377 S CB -0.392 62.814 63.200 0.011 0.000 0.818 377 S HN 0.626 nan 8.310 nan 0.000 0.472 378 D N 1.120 121.534 120.400 0.022 0.000 2.144 378 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 378 D C 1.913 178.268 176.300 0.092 0.000 0.978 378 D CA 0.771 54.789 54.000 0.030 0.000 0.833 378 D CB -0.297 40.489 40.800 -0.022 0.000 0.961 378 D HN 0.384 nan 8.370 nan 0.000 0.470 379 L N 0.360 121.625 121.223 0.071 0.000 2.093 379 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 379 L C 2.448 179.428 176.870 0.183 0.000 1.085 379 L CA 0.604 55.487 54.840 0.072 0.000 0.755 379 L CB -0.151 41.929 42.059 0.035 0.000 0.904 379 L HN -0.001 nan 8.230 nan 0.000 0.435 380 I N -1.240 119.438 120.570 0.180 0.000 2.353 380 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 380 I C 2.643 178.852 176.117 0.153 0.000 1.119 380 I CA 0.899 62.293 61.300 0.157 0.000 1.417 380 I CB -0.420 37.626 38.000 0.076 0.000 1.078 380 I HN 0.361 nan 8.210 nan 0.000 0.421 381 H N 1.415 120.526 119.070 0.069 0.000 2.395 381 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 381 H C 2.155 177.537 175.328 0.090 0.000 1.070 381 H CA 1.608 57.699 56.048 0.072 0.000 1.356 381 H CB 0.301 30.117 29.762 0.090 0.000 1.401 381 H HN 0.306 nan 8.280 nan 0.000 0.524 382 A N 0.981 123.927 122.820 0.211 0.000 1.902 382 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 382 A C 2.371 179.996 177.584 0.068 0.000 1.181 382 A CA 1.533 53.645 52.037 0.126 0.000 0.623 382 A CB -1.064 17.989 19.000 0.088 0.000 0.818 382 A HN 0.595 nan 8.150 nan 0.000 0.443 383 H N 0.047 119.138 119.070 0.035 0.000 2.422 383 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 383 H C 2.194 177.504 175.328 -0.031 0.000 1.098 383 H CA 1.578 57.655 56.048 0.048 0.000 1.315 383 H CB -0.092 29.755 29.762 0.142 0.000 1.382 383 H HN 0.430 nan 8.280 nan 0.000 0.523 384 A N 0.041 122.875 122.820 0.022 0.000 1.970 384 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 384 A C 2.785 180.303 177.584 -0.109 0.000 1.170 384 A CA 1.059 53.023 52.037 -0.123 0.000 0.645 384 A CB -0.460 18.277 19.000 -0.438 0.000 0.816 384 A HN 0.265 nan 8.150 nan 0.000 0.447 385 V N -0.498 119.362 119.914 -0.091 0.000 2.323 385 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 385 V C 2.387 178.454 176.094 -0.045 0.000 1.041 385 V CA 1.489 63.770 62.300 -0.032 0.000 1.025 385 V CB -0.669 31.143 31.823 -0.018 0.000 0.656 385 V HN 0.448 nan 8.190 nan 0.000 0.451 386 L N 0.905 122.083 121.223 -0.074 0.000 2.141 386 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 386 L C 2.829 179.627 176.870 -0.119 0.000 1.094 386 L CA 2.571 57.353 54.840 -0.096 0.000 0.763 386 L CB -1.199 40.788 42.059 -0.120 0.000 0.908 386 L HN 0.668 nan 8.230 nan 0.000 0.437 387 T N -3.273 111.193 114.554 -0.146 0.000 2.777 387 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 387 T C 2.023 176.687 174.700 -0.060 0.000 1.040 387 T CA 1.306 63.340 62.100 -0.110 0.000 1.141 387 T CB -0.594 68.227 68.868 -0.079 0.000 0.868 387 T HN 0.248 nan 8.240 nan 0.000 0.444 388 I N 1.363 121.908 120.570 -0.042 0.000 2.286 388 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 388 I C 2.885 178.980 176.117 -0.037 0.000 1.115 388 I CA 1.833 63.120 61.300 -0.023 0.000 1.392 388 I CB -0.365 37.636 38.000 0.001 0.000 1.065 388 I HN 0.344 nan 8.210 nan 0.000 0.418 389 E N 1.259 121.433 120.200 -0.043 0.000 2.072 389 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 389 E C 2.021 178.590 176.600 -0.051 0.000 0.982 389 E CA 1.575 57.949 56.400 -0.044 0.000 0.803 389 E CB -0.070 29.606 29.700 -0.039 0.000 0.755 389 E HN 0.400 nan 8.360 nan 0.000 0.453 390 A N -0.793 121.992 122.820 -0.058 0.000 2.132 390 A HA 0.267 4.587 4.320 -0.000 0.000 0.213 390 A C 1.984 179.530 177.584 -0.064 0.000 1.154 390 A CA 0.927 52.929 52.037 -0.059 0.000 0.753 390 A CB -0.037 18.926 19.000 -0.061 0.000 0.826 390 A HN 0.341 nan 8.150 nan 0.000 0.469 391 G N -1.878 106.882 108.800 -0.067 0.000 3.104 391 G HA2 0.322 4.282 3.960 -0.000 0.000 0.237 391 G HA3 0.322 4.282 3.960 -0.000 0.000 0.237 391 G C 0.871 175.704 174.900 -0.112 0.000 1.035 391 G CA 0.310 45.366 45.100 -0.074 0.000 0.844 391 G HN 0.451 nan 8.290 nan 0.000 0.531 392 Q N -0.230 119.503 119.800 -0.112 0.000 2.081 392 Q HA 0.264 4.604 4.340 -0.000 0.000 0.220 392 Q C -0.104 175.808 176.000 -0.147 0.000 0.775 392 Q CA -0.019 55.689 55.803 -0.159 0.000 0.983 392 Q CB 1.623 30.337 28.738 -0.040 0.000 1.188 392 Q HN 0.195 nan 8.270 nan 0.000 0.458 393 S N 0.729 116.368 115.700 -0.103 0.000 2.509 393 S HA 0.445 4.915 4.470 -0.000 0.000 0.297 393 S C -0.351 174.212 174.600 -0.062 0.000 1.118 393 S CA -0.468 57.687 58.200 -0.075 0.000 1.074 393 S CB 1.748 64.914 63.200 -0.056 0.000 1.038 393 S HN -0.031 nan 8.310 nan 0.000 0.498 394 T N 2.301 116.827 114.554 -0.046 0.000 2.762 394 T HA 0.273 4.623 4.350 -0.000 0.000 0.303 394 T C 1.008 175.696 174.700 -0.019 0.000 0.977 394 T CA -0.537 61.555 62.100 -0.013 0.000 0.961 394 T CB 0.383 69.256 68.868 0.008 0.000 0.944 394 T HN 0.709 nan 8.240 nan 0.000 0.481 395 T N -0.155 114.402 114.554 0.004 0.000 3.287 395 T HA 0.235 4.585 4.350 -0.000 0.000 0.253 395 T C 0.031 174.787 174.700 0.093 0.000 0.975 395 T CA -0.642 61.474 62.100 0.028 0.000 0.912 395 T CB -0.123 68.761 68.868 0.028 0.000 1.071 395 T HN 0.267 nan 8.240 nan 0.000 0.578 396 D N 1.791 122.239 120.400 0.080 0.000 2.529 396 D HA 0.612 5.252 4.640 -0.000 0.000 0.273 396 D C -0.309 176.080 176.300 0.147 0.000 1.197 396 D CA -0.518 53.547 54.000 0.108 0.000 1.070 396 D CB 0.918 41.758 40.800 0.066 0.000 1.134 396 D HN 0.372 nan 8.370 nan 0.000 0.590 397 N N -0.743 118.030 118.700 0.123 0.000 2.864 397 N HA 0.274 5.014 4.740 -0.000 0.000 0.247 397 N C -3.010 172.521 175.510 0.035 0.000 1.071 397 N CA -0.810 52.309 53.050 0.115 0.000 1.056 397 N CB 1.326 39.990 38.487 0.295 0.000 1.661 397 N HN -0.044 nan 8.380 nan 0.000 0.570 398 P HA 0.365 nan 4.420 nan 0.000 0.274 398 P C -0.810 176.463 177.300 -0.045 0.000 1.256 398 P CA -0.378 62.644 63.100 -0.130 0.000 0.795 398 P CB 0.750 32.229 31.700 -0.368 0.000 1.038 399 L N 1.044 122.244 121.223 -0.038 0.000 2.346 399 L HA 0.490 4.830 4.340 -0.000 0.000 0.276 399 L C -0.092 176.799 176.870 0.034 0.000 1.006 399 L CA -0.766 54.077 54.840 0.005 0.000 0.817 399 L CB 1.265 43.296 42.059 -0.048 0.000 1.272 399 L HN 0.222 nan 8.230 nan 0.000 0.421 400 I N 2.330 122.938 120.570 0.064 0.000 2.304 400 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 400 I C -0.045 176.088 176.117 0.026 0.000 1.018 400 I CA -0.126 61.187 61.300 0.022 0.000 1.260 400 I CB 1.162 39.171 38.000 0.016 0.000 1.390 400 I HN 0.500 nan 8.210 nan 0.000 0.475 401 D N 7.039 127.425 120.400 -0.023 0.000 2.563 401 D HA 0.130 4.769 4.640 -0.000 0.000 0.222 401 D C 1.113 177.303 176.300 -0.183 0.000 1.145 401 D CA -0.203 53.798 54.000 0.000 0.000 1.001 401 D CB 0.831 41.697 40.800 0.110 0.000 1.049 401 D HN 0.287 nan 8.370 nan 0.000 0.515 402 V N 3.331 123.114 119.914 -0.218 0.000 2.231 402 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 402 V C 1.554 177.519 176.094 -0.215 0.000 1.058 402 V CA 2.202 64.301 62.300 -0.335 0.000 1.022 402 V CB -0.863 30.855 31.823 -0.174 0.000 0.640 402 V HN 0.649 nan 8.190 nan 0.000 0.445 403 E N 0.897 121.040 120.200 -0.096 0.000 2.860 403 E HA 0.081 4.431 4.350 -0.000 0.000 0.318 403 E C 0.370 176.947 176.600 -0.038 0.000 1.481 403 E CA 0.557 56.927 56.400 -0.050 0.000 1.613 403 E CB -0.482 29.205 29.700 -0.021 0.000 1.279 403 E HN 0.623 nan 8.360 nan 0.000 0.489 404 N N 1.064 119.725 118.700 -0.065 0.000 1.926 404 N HA -0.047 4.693 4.740 -0.000 0.000 0.236 404 N C -1.147 174.333 175.510 -0.050 0.000 1.483 404 N CA -0.111 52.921 53.050 -0.030 0.000 0.857 404 N CB 0.133 38.622 38.487 0.003 0.000 1.084 404 N HN 0.228 nan 8.380 nan 0.000 0.647 405 K N 0.498 120.820 120.400 -0.131 0.000 3.311 405 K HA -0.174 4.146 4.320 -0.000 0.000 0.270 405 K C -1.030 175.554 176.600 -0.026 0.000 0.927 405 K CA 1.309 57.537 56.287 -0.098 0.000 0.706 405 K CB -1.941 30.660 32.500 0.167 0.000 1.418 405 K HN 0.261 nan 8.250 nan 0.000 0.459 406 T N -0.378 114.067 114.554 -0.182 0.000 2.903 406 T HA 0.454 4.804 4.350 -0.000 0.000 0.299 406 T C -0.593 174.004 174.700 -0.171 0.000 1.093 406 T CA -0.858 61.166 62.100 -0.126 0.000 1.002 406 T CB 2.069 70.812 68.868 -0.207 0.000 1.127 406 T HN 0.029 nan 8.240 nan 0.000 0.488 407 S N 1.713 117.319 115.700 -0.158 0.000 2.519 407 S HA 0.472 4.942 4.470 -0.000 0.000 0.309 407 S C -0.995 173.445 174.600 -0.268 0.000 1.100 407 S CA -0.838 57.285 58.200 -0.128 0.000 1.059 407 S CB 0.505 63.713 63.200 0.013 0.000 1.008 407 S HN 0.585 nan 8.310 nan 0.000 0.478 408 H N 2.279 121.303 119.070 -0.076 0.000 2.459 408 H HA 0.318 4.874 4.556 -0.000 0.000 0.332 408 H C -0.754 174.490 175.328 -0.140 0.000 1.094 408 H CA -0.340 55.692 56.048 -0.026 0.000 1.224 408 H CB 0.962 30.711 29.762 -0.022 0.000 1.449 408 H HN 0.606 nan 8.280 nan 0.000 0.484 409 H N 1.499 120.657 119.070 0.146 0.000 2.597 409 H HA 0.424 4.980 4.556 -0.000 0.000 0.303 409 H C 0.661 176.057 175.328 0.114 0.000 1.057 409 H CA -0.257 55.863 56.048 0.120 0.000 1.261 409 H CB 1.427 31.243 29.762 0.090 0.000 1.397 409 H HN 0.897 nan 8.280 nan 0.000 0.461 410 G N 0.938 109.847 108.800 0.181 0.000 3.214 410 G HA2 0.495 4.455 3.960 -0.000 0.000 0.188 410 G HA3 0.495 4.455 3.960 -0.000 0.000 0.188 410 G C 0.013 174.949 174.900 0.060 0.000 1.126 410 G CA -0.474 44.682 45.100 0.094 0.000 0.796 410 G HN 0.635 nan 8.290 nan 0.000 0.631 411 G N 0.017 108.710 108.800 -0.178 0.000 5.077 411 G HA2 0.227 4.187 3.960 -0.000 0.000 0.230 411 G HA3 0.227 4.187 3.960 -0.000 0.000 0.230 411 G C 0.092 174.481 174.900 -0.852 0.000 0.924 411 G CA -0.233 44.435 45.100 -0.720 0.000 0.770 411 G HN 0.259 nan 8.290 nan 0.000 0.512 412 N N 0.998 119.435 118.700 -0.439 0.000 2.567 412 N HA 0.006 4.746 4.740 -0.000 0.000 0.195 412 N C 1.222 176.597 175.510 -0.225 0.000 1.242 412 N CA 0.210 53.094 53.050 -0.276 0.000 0.884 412 N CB -0.146 38.268 38.487 -0.122 0.000 1.007 412 N HN 0.657 nan 8.380 nan 0.000 0.450 413 F N -0.599 119.347 119.950 -0.007 0.000 2.727 413 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 413 F C 0.945 176.744 175.800 -0.002 0.000 1.097 413 F CA -0.755 57.243 58.000 -0.005 0.000 1.330 413 F CB -0.443 38.559 39.000 0.003 0.000 1.084 413 F HN -0.225 nan 8.300 nan 0.000 0.578 414 Q N 2.454 122.042 119.800 -0.354 0.000 2.664 414 Q HA 0.422 4.762 4.340 -0.000 0.000 0.223 414 Q C 0.762 176.721 176.000 -0.069 0.000 1.298 414 Q CA -0.064 55.654 55.803 -0.141 0.000 0.965 414 Q CB 0.439 29.031 28.738 -0.244 0.000 1.510 414 Q HN 0.382 nan 8.270 nan 0.000 0.567 415 A N 3.151 125.971 122.820 -0.000 0.000 2.088 415 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 415 A C 1.592 179.172 177.584 -0.007 0.000 1.420 415 A CA 0.793 52.828 52.037 -0.003 0.000 1.371 415 A CB -0.796 18.214 19.000 0.017 0.000 0.788 415 A HN 0.815 nan 8.150 nan 0.000 0.575 416 A N -0.050 122.759 122.820 -0.019 0.000 1.972 416 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 416 A C 2.431 180.011 177.584 -0.008 0.000 1.169 416 A CA 1.764 53.794 52.037 -0.013 0.000 0.635 416 A CB -0.677 18.310 19.000 -0.021 0.000 0.810 416 A HN 1.123 nan 8.150 nan 0.000 0.446 417 A N -0.224 122.588 122.820 -0.013 0.000 1.851 417 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 417 A C 2.417 180.005 177.584 0.007 0.000 1.195 417 A CA 2.261 54.297 52.037 -0.001 0.000 0.622 417 A CB -1.290 17.703 19.000 -0.012 0.000 0.831 417 A HN 1.202 nan 8.150 nan 0.000 0.444 418 V N -0.892 119.020 119.914 -0.002 0.000 2.515 418 V HA -0.026 4.094 4.120 -0.000 0.000 0.250 418 V C 2.499 178.595 176.094 0.002 0.000 1.058 418 V CA 2.204 64.503 62.300 -0.002 0.000 1.064 418 V CB -0.932 30.885 31.823 -0.009 0.000 0.675 418 V HN 0.605 nan 8.190 nan 0.000 0.461 419 A N 0.630 123.452 122.820 0.003 0.000 1.933 419 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 419 A C 2.062 179.650 177.584 0.006 0.000 1.175 419 A CA 2.242 54.282 52.037 0.005 0.000 0.628 419 A CB -1.158 17.846 19.000 0.006 0.000 0.814 419 A HN 0.728 nan 8.150 nan 0.000 0.444 420 N N -0.028 118.678 118.700 0.011 0.000 2.104 420 N HA -0.104 4.636 4.740 -0.000 0.000 0.190 420 N C 1.248 176.773 175.510 0.026 0.000 1.024 420 N CA 1.821 54.881 53.050 0.017 0.000 0.853 420 N CB -0.573 37.931 38.487 0.028 0.000 1.008 420 N HN 0.593 nan 8.380 nan 0.000 0.424 424 K N 1.190 121.582 120.400 -0.015 0.000 2.032 424 K HA -0.066 4.253 4.320 -0.000 0.000 0.209 424 K C 2.041 178.627 176.600 -0.023 0.000 1.048 424 K CA 2.132 58.405 56.287 -0.023 0.000 0.927 424 K CB -0.258 32.230 32.500 -0.020 0.000 0.712 424 K HN 0.048 nan 8.250 nan 0.000 0.441 425 T N 0.920 115.464 114.554 -0.017 0.000 2.720 425 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 425 T C 1.885 176.575 174.700 -0.016 0.000 1.037 425 T CA 1.413 63.500 62.100 -0.022 0.000 1.144 425 T CB -0.170 68.680 68.868 -0.030 0.000 0.864 425 T HN 0.271 nan 8.240 nan 0.000 0.444 426 R N 0.204 120.696 120.500 -0.014 0.000 2.096 426 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 426 R C 2.315 178.613 176.300 -0.004 0.000 1.127 426 R CA 1.001 57.096 56.100 -0.008 0.000 0.968 426 R CB -0.391 29.902 30.300 -0.012 0.000 0.861 426 R HN 0.270 nan 8.270 nan 0.000 0.440 427 L N -0.097 121.118 121.223 -0.013 0.000 2.109 427 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 427 L C 2.054 178.917 176.870 -0.012 0.000 1.086 427 L CA 2.165 56.996 54.840 -0.014 0.000 0.760 427 L CB -0.891 41.149 42.059 -0.030 0.000 0.910 427 L HN 0.236 nan 8.230 nan 0.000 0.437 428 G N -0.417 108.371 108.800 -0.020 0.000 2.432 428 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 428 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 428 G C 1.599 176.512 174.900 0.022 0.000 1.135 428 G CA 0.993 46.082 45.100 -0.017 0.000 0.767 428 G HN 0.431 nan 8.290 nan 0.000 0.550 429 L N 0.429 121.667 121.223 0.025 0.000 2.141 429 L HA 0.006 4.346 4.340 -0.000 0.000 0.209 429 L C 3.308 180.223 176.870 0.074 0.000 1.094 429 L CA 0.805 55.673 54.840 0.047 0.000 0.763 429 L CB -0.241 41.836 42.059 0.030 0.000 0.908 429 L HN 0.317 nan 8.230 nan 0.000 0.437 430 A N -0.662 122.197 122.820 0.066 0.000 1.929 430 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 430 A C 2.244 179.917 177.584 0.149 0.000 1.176 430 A CA 0.884 52.975 52.037 0.089 0.000 0.628 430 A CB -0.196 18.843 19.000 0.065 0.000 0.816 430 A HN 0.379 nan 8.150 nan 0.000 0.444 431 Q N -0.028 119.860 119.800 0.147 0.000 2.046 431 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 431 Q C 2.144 178.386 176.000 0.403 0.000 0.975 431 Q CA 1.367 57.331 55.803 0.268 0.000 0.836 431 Q CB -0.518 28.246 28.738 0.043 0.000 0.896 431 Q HN 0.744 nan 8.270 nan 0.000 0.428 432 I N 0.895 121.619 120.570 0.257 0.000 2.208 432 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 432 I C 2.360 178.621 176.117 0.241 0.000 1.097 432 I CA 1.302 62.754 61.300 0.253 0.000 1.363 432 I CB -0.694 37.406 38.000 0.166 0.000 1.051 432 I HN 0.245 nan 8.210 nan 0.000 0.413 433 G N 0.528 109.452 108.800 0.207 0.000 2.418 433 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 433 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 433 G C 1.785 176.821 174.900 0.226 0.000 1.158 433 G CA 0.445 45.663 45.100 0.195 0.000 0.771 433 G HN 0.126 nan 8.290 nan 0.000 0.545 434 K N -0.081 120.464 120.400 0.242 0.000 2.026 434 K HA -0.000 4.320 4.320 -0.000 0.000 0.208 434 K C 2.485 179.183 176.600 0.163 0.000 1.048 434 K CA 0.816 57.250 56.287 0.245 0.000 0.929 434 K CB -0.682 31.990 32.500 0.286 0.000 0.713 434 K HN 0.315 nan 8.250 nan 0.000 0.439 435 L N 1.806 123.091 121.223 0.104 0.000 1.955 435 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 435 L C 1.537 178.413 176.870 0.009 0.000 1.072 435 L CA 2.034 56.822 54.840 -0.087 0.000 0.755 435 L CB -0.958 41.084 42.059 -0.028 0.000 0.888 435 L HN 0.228 nan 8.230 nan 0.000 0.432 436 N N -1.598 117.177 118.700 0.125 0.000 2.223 436 N HA -0.231 4.509 4.740 -0.000 0.000 0.185 436 N C 1.652 177.159 175.510 -0.005 0.000 1.016 436 N CA 1.442 54.576 53.050 0.139 0.000 0.863 436 N CB -0.351 38.320 38.487 0.306 0.000 0.983 436 N HN 0.430 nan 8.380 nan 0.000 0.429 437 F N 1.789 121.711 119.950 -0.047 0.000 2.075 437 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 437 F C 2.543 178.267 175.800 -0.126 0.000 1.113 437 F CA 1.730 59.682 58.000 -0.080 0.000 1.218 437 F CB -1.116 37.870 39.000 -0.024 0.000 0.984 437 F HN 0.048 nan 8.300 nan 0.000 0.472 438 T N -1.462 112.871 114.554 -0.368 0.000 2.833 438 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 438 T C 1.766 176.241 174.700 -0.376 0.000 1.054 438 T CA 1.578 63.394 62.100 -0.473 0.000 1.135 438 T CB -0.763 67.961 68.868 -0.240 0.000 0.869 438 T HN 0.544 nan 8.240 nan 0.000 0.466 439 Q N 0.446 120.083 119.800 -0.272 0.000 2.084 439 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 439 Q C 2.370 178.185 176.000 -0.308 0.000 0.978 439 Q CA 1.362 57.040 55.803 -0.210 0.000 0.844 439 Q CB -0.384 28.306 28.738 -0.079 0.000 0.898 439 Q HN 0.457 nan 8.270 nan 0.000 0.426 440 L N 0.349 121.278 121.223 -0.490 0.000 2.027 440 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 440 L C 2.377 179.033 176.870 -0.358 0.000 1.074 440 L CA 2.159 56.715 54.840 -0.473 0.000 0.745 440 L CB -0.994 40.742 42.059 -0.538 0.000 0.898 440 L HN 0.103 nan 8.230 nan 0.000 0.433 441 T N -0.886 113.363 114.554 -0.508 0.000 2.833 441 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 441 T C 1.011 175.535 174.700 -0.292 0.000 1.054 441 T CA 0.857 62.686 62.100 -0.452 0.000 1.135 441 T CB -0.232 68.179 68.868 -0.762 0.000 0.869 441 T HN 0.506 nan 8.240 nan 0.000 0.466 445 N N 1.229 119.880 118.700 -0.083 0.000 2.411 445 N HA 0.366 5.106 4.740 -0.000 0.000 0.259 445 N C 1.159 176.638 175.510 -0.052 0.000 1.103 445 N CA 0.803 53.813 53.050 -0.066 0.000 0.954 445 N CB 1.995 40.433 38.487 -0.081 0.000 1.085 445 N HN 0.219 nan 8.380 nan 0.000 0.485 446 A N 3.271 126.071 122.820 -0.033 0.000 2.019 446 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 446 A C 1.195 178.760 177.584 -0.031 0.000 1.164 446 A CA 1.203 53.224 52.037 -0.027 0.000 0.644 446 A CB -0.652 18.345 19.000 -0.004 0.000 0.805 446 A HN 0.643 nan 8.150 nan 0.000 0.449 450 R N 0.695 121.161 120.500 -0.057 0.000 3.301 450 R HA -0.131 4.209 4.340 -0.000 0.000 0.249 450 R C 0.902 177.174 176.300 -0.047 0.000 0.964 450 R CA 1.143 57.215 56.100 -0.046 0.000 0.653 450 R CB -1.999 28.276 30.300 -0.042 0.000 1.043 450 R HN 0.904 nan 8.270 nan 0.000 0.454 451 G N -1.151 107.614 108.800 -0.058 0.000 2.179 451 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 451 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 451 G C 0.222 175.076 174.900 -0.076 0.000 0.990 451 G CA -0.051 45.009 45.100 -0.066 0.000 0.646 451 G HN 0.236 nan 8.290 nan 0.000 0.517 452 L N 1.463 122.638 121.223 -0.079 0.000 2.436 452 L HA 0.392 4.731 4.340 -0.000 0.000 0.265 452 L C -1.576 175.255 176.870 -0.065 0.000 1.168 452 L CA -1.946 52.843 54.840 -0.086 0.000 0.815 452 L CB 0.568 42.567 42.059 -0.100 0.000 1.109 452 L HN -0.109 nan 8.230 nan 0.000 0.462 453 P HA -0.067 nan 4.420 nan 0.000 0.265 453 P C 0.540 177.837 177.300 -0.005 0.000 1.187 453 P CA 0.148 63.231 63.100 -0.027 0.000 0.766 453 P CB 0.648 32.340 31.700 -0.014 0.000 0.820 454 S N 2.178 117.887 115.700 0.015 0.000 2.420 454 S HA -0.322 4.148 4.470 -0.000 0.000 0.278 454 S C 1.079 175.705 174.600 0.043 0.000 1.111 454 S CA 2.187 60.409 58.200 0.038 0.000 1.315 454 S CB -1.638 61.605 63.200 0.073 0.000 1.226 454 S HN 0.573 nan 8.310 nan 0.000 0.444 455 C N 0.938 120.283 119.300 0.075 0.000 2.557 455 C HA 0.670 5.130 4.460 -0.000 0.000 0.281 455 C C 0.402 175.430 174.990 0.063 0.000 1.490 455 C CA -0.422 58.643 59.018 0.078 0.000 1.771 455 C CB -1.318 26.515 27.740 0.154 0.000 2.887 455 C HN 0.693 nan 8.230 nan 0.000 0.527 456 L N 0.172 121.416 121.223 0.034 0.000 4.291 456 L HA -0.221 4.119 4.340 -0.000 0.000 0.413 456 L C 1.069 178.029 176.870 0.151 0.000 1.162 456 L CA 1.061 55.921 54.840 0.033 0.000 0.961 456 L CB -1.843 40.189 42.059 -0.045 0.000 2.095 456 L HN 0.608 nan 8.230 nan 0.000 0.838 457 A N -0.491 122.412 122.820 0.139 0.000 2.451 457 A HA 0.630 4.950 4.320 -0.000 0.000 0.266 457 A C 1.616 179.257 177.584 0.094 0.000 1.119 457 A CA 0.473 52.593 52.037 0.139 0.000 0.786 457 A CB 0.586 19.625 19.000 0.064 0.000 1.061 457 A HN 0.682 nan 8.150 nan 0.000 0.503 458 A N 2.480 125.369 122.820 0.114 0.000 1.933 458 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 458 A C 1.192 178.797 177.584 0.034 0.000 1.175 458 A CA 1.337 53.455 52.037 0.135 0.000 0.628 458 A CB -0.196 18.990 19.000 0.311 0.000 0.814 458 A HN 0.782 nan 8.150 nan 0.000 0.444 459 E N -0.082 120.097 120.200 -0.036 0.000 2.568 459 E HA 0.275 4.625 4.350 -0.000 0.000 0.242 459 E C -1.049 175.571 176.600 0.033 0.000 0.945 459 E CA -1.049 55.331 56.400 -0.034 0.000 0.918 459 E CB -0.261 29.387 29.700 -0.087 0.000 1.386 459 E HN 0.136 nan 8.360 nan 0.000 0.426 460 D N 2.125 122.576 120.400 0.085 0.000 2.662 460 D HA -0.038 4.602 4.640 -0.000 0.000 0.233 460 D C -1.700 174.595 176.300 -0.009 0.000 1.129 460 D CA -0.491 53.541 54.000 0.054 0.000 0.851 460 D CB 0.199 41.043 40.800 0.073 0.000 1.152 460 D HN 0.018 nan 8.370 nan 0.000 0.507 461 P HA -0.031 nan 4.420 nan 0.000 0.239 461 P C 0.899 178.134 177.300 -0.109 0.000 1.184 461 P CA 0.558 63.628 63.100 -0.050 0.000 0.760 461 P CB 0.394 32.107 31.700 0.021 0.000 0.884 462 S N -0.626 115.025 115.700 -0.083 0.000 2.368 462 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 462 S C 1.062 175.553 174.600 -0.181 0.000 1.029 462 S CA 0.966 59.123 58.200 -0.072 0.000 0.988 462 S CB -0.336 62.844 63.200 -0.034 0.000 0.838 462 S HN 0.183 nan 8.310 nan 0.000 0.462 463 L N 1.110 122.194 121.223 -0.231 0.000 2.960 463 L HA 0.475 4.815 4.340 -0.000 0.000 0.274 463 L C -0.340 176.320 176.870 -0.350 0.000 1.327 463 L CA -0.225 54.449 54.840 -0.277 0.000 0.860 463 L CB 0.867 42.857 42.059 -0.115 0.000 1.239 463 L HN 0.014 nan 8.230 nan 0.000 0.551 464 S N -0.530 114.788 115.700 -0.638 0.000 2.590 464 S HA 0.486 4.956 4.470 -0.000 0.000 0.286 464 S C -1.057 173.218 174.600 -0.541 0.000 1.147 464 S CA -0.275 57.673 58.200 -0.421 0.000 0.963 464 S CB 0.767 63.869 63.200 -0.164 0.000 1.124 464 S HN 0.280 nan 8.310 nan 0.000 0.458 465 Y N 3.820 124.169 120.300 0.083 0.000 2.738 465 Y HA 0.336 4.885 4.550 -0.000 0.000 0.249 465 Y C 1.408 177.396 175.900 0.147 0.000 1.157 465 Y CA -0.194 57.958 58.100 0.087 0.000 1.189 465 Y CB -0.850 37.642 38.460 0.053 0.000 1.262 465 Y HN 0.968 nan 8.280 nan 0.000 0.554 466 H N -0.110 119.040 119.070 0.133 0.000 1.497 466 H HA -0.432 4.124 4.556 -0.000 0.000 0.099 466 H C 0.973 176.393 175.328 0.153 0.000 1.162 466 H CA 2.469 58.597 56.048 0.133 0.000 1.883 466 H CB -0.426 29.407 29.762 0.118 0.000 2.239 466 H HN 0.411 nan 8.280 nan 0.000 0.955 467 C N 1.475 120.829 119.300 0.089 0.000 2.626 467 C HA 0.071 4.531 4.460 -0.000 0.000 0.266 467 C C 2.420 177.437 174.990 0.046 0.000 1.317 467 C CA 0.318 59.334 59.018 -0.003 0.000 1.716 467 C CB -0.874 26.802 27.740 -0.106 0.000 1.819 467 C HN 0.557 nan 8.230 nan 0.000 0.578 468 K N 1.900 122.353 120.400 0.088 0.000 2.074 468 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 468 K C 2.039 178.649 176.600 0.017 0.000 1.048 468 K CA 2.064 58.379 56.287 0.047 0.000 0.926 468 K CB -0.451 32.079 32.500 0.049 0.000 0.713 468 K HN 0.502 nan 8.250 nan 0.000 0.444 469 G N 0.902 109.723 108.800 0.034 0.000 2.422 469 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 469 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 469 G C 1.432 176.320 174.900 -0.020 0.000 1.140 469 G CA 0.518 45.620 45.100 0.003 0.000 0.775 469 G HN 0.240 nan 8.290 nan 0.000 0.545 470 L N 0.303 121.526 121.223 -0.000 0.000 2.240 470 L HA 0.043 4.383 4.340 -0.000 0.000 0.211 470 L C 2.367 179.230 176.870 -0.012 0.000 1.106 470 L CA 0.873 55.709 54.840 -0.007 0.000 0.793 470 L CB -0.183 41.897 42.059 0.035 0.000 0.927 470 L HN 0.127 nan 8.230 nan 0.000 0.446 471 D N 0.909 121.307 120.400 -0.003 0.000 2.144 471 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 471 D C 2.135 178.452 176.300 0.028 0.000 0.978 471 D CA 1.321 55.330 54.000 0.015 0.000 0.833 471 D CB 0.098 40.894 40.800 -0.007 0.000 0.961 471 D HN 0.274 nan 8.370 nan 0.000 0.470 472 I N 0.240 120.792 120.570 -0.030 0.000 2.353 472 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 472 I C 2.465 178.474 176.117 -0.180 0.000 1.119 472 I CA 0.821 62.078 61.300 -0.071 0.000 1.417 472 I CB -0.276 37.680 38.000 -0.073 0.000 1.078 472 I HN 0.010 nan 8.210 nan 0.000 0.421 473 A N 1.005 123.675 122.820 -0.250 0.000 1.873 473 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 473 A C 2.573 179.634 177.584 -0.872 0.000 1.186 473 A CA 1.739 53.431 52.037 -0.575 0.000 0.616 473 A CB -0.841 17.877 19.000 -0.471 0.000 0.823 473 A HN 0.400 nan 8.150 nan 0.000 0.442 474 A N -0.200 122.393 122.820 -0.379 0.000 1.978 474 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 474 A C 2.422 179.876 177.584 -0.217 0.000 1.170 474 A CA 2.166 54.140 52.037 -0.104 0.000 0.636 474 A CB -0.850 18.289 19.000 0.232 0.000 0.810 474 A HN 1.063 nan 8.150 nan 0.000 0.448 475 A N -0.495 122.176 122.820 -0.248 0.000 1.968 475 A HA 0.298 4.618 4.320 -0.000 0.000 0.217 475 A C 2.433 179.777 177.584 -0.400 0.000 1.169 475 A CA 1.635 53.358 52.037 -0.525 0.000 0.638 475 A CB -0.782 18.099 19.000 -0.199 0.000 0.812 475 A HN 0.971 nan 8.150 nan 0.000 0.446 476 A N -0.984 121.630 122.820 -0.343 0.000 1.930 476 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 476 A C 2.078 179.606 177.584 -0.093 0.000 1.175 476 A CA 1.312 53.206 52.037 -0.239 0.000 0.627 476 A CB -0.797 18.043 19.000 -0.267 0.000 0.815 476 A HN 0.669 nan 8.150 nan 0.000 0.443 477 Y N 0.045 120.286 120.300 -0.099 0.000 2.163 477 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 477 Y C 2.996 178.844 175.900 -0.087 0.000 1.136 477 Y CA 1.003 59.063 58.100 -0.067 0.000 1.147 477 Y CB -0.698 37.745 38.460 -0.028 0.000 0.987 477 Y HN 0.249 nan 8.280 nan 0.000 0.509 478 T N -0.474 114.064 114.554 -0.027 0.000 2.684 478 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 478 T C 2.081 176.726 174.700 -0.092 0.000 1.036 478 T CA 1.618 63.647 62.100 -0.119 0.000 1.148 478 T CB -0.453 68.151 68.868 -0.439 0.000 0.863 478 T HN 0.264 nan 8.240 nan 0.000 0.436 479 S N 0.806 116.426 115.700 -0.134 0.000 2.359 479 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 479 S C 2.074 176.676 174.600 0.004 0.000 1.039 479 S CA 1.456 59.612 58.200 -0.072 0.000 1.042 479 S CB -0.367 62.780 63.200 -0.089 0.000 0.915 479 S HN 0.595 nan 8.310 nan 0.000 0.439 480 E N 0.654 120.869 120.200 0.024 0.000 2.085 480 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 480 E C 2.031 178.683 176.600 0.087 0.000 0.994 480 E CA 0.870 57.309 56.400 0.065 0.000 0.801 480 E CB -0.166 29.577 29.700 0.071 0.000 0.743 480 E HN 0.409 nan 8.360 nan 0.000 0.453 481 L N -0.092 121.171 121.223 0.066 0.000 2.079 481 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 481 L C 2.505 179.409 176.870 0.057 0.000 1.081 481 L CA 1.219 56.095 54.840 0.060 0.000 0.752 481 L CB -0.564 41.532 42.059 0.063 0.000 0.896 481 L HN 0.305 nan 8.230 nan 0.000 0.433 482 G N -1.491 107.344 108.800 0.059 0.000 2.433 482 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 482 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 482 G C 1.529 176.470 174.900 0.068 0.000 1.186 482 G CA 0.770 45.906 45.100 0.059 0.000 0.779 482 G HN 0.452 nan 8.290 nan 0.000 0.543 483 H N 0.477 119.551 119.070 0.006 0.000 2.421 483 H HA 0.099 4.655 4.556 -0.000 0.000 0.298 483 H C 2.526 177.858 175.328 0.007 0.000 1.087 483 H CA 0.997 57.048 56.048 0.005 0.000 1.330 483 H CB -0.052 29.709 29.762 -0.002 0.000 1.388 483 H HN 0.293 nan 8.280 nan 0.000 0.526 484 L N 0.392 121.600 121.223 -0.025 0.000 2.141 484 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 484 L C 2.937 179.755 176.870 -0.086 0.000 1.094 484 L CA 0.839 55.638 54.840 -0.068 0.000 0.763 484 L CB -0.381 41.686 42.059 0.014 0.000 0.908 484 L HN 0.280 nan 8.230 nan 0.000 0.437 485 A N -0.539 122.250 122.820 -0.051 0.000 2.125 485 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 485 A C 0.934 178.488 177.584 -0.050 0.000 1.156 485 A CA 0.496 52.512 52.037 -0.035 0.000 0.671 485 A CB -0.649 18.347 19.000 -0.008 0.000 0.794 485 A HN 0.408 nan 8.150 nan 0.000 0.459 486 N N 1.188 119.836 118.700 -0.088 0.000 2.416 486 N HA 0.150 4.890 4.740 -0.000 0.000 0.246 486 N C -2.573 172.919 175.510 -0.031 0.000 1.260 486 N CA -0.705 52.309 53.050 -0.060 0.000 0.897 486 N CB 0.016 38.453 38.487 -0.082 0.000 1.110 486 N HN 0.270 nan 8.380 nan 0.000 0.439 487 P HA 0.061 nan 4.420 nan 0.000 0.271 487 P C 0.430 177.776 177.300 0.077 0.000 1.218 487 P CA -0.228 62.880 63.100 0.014 0.000 0.780 487 P CB 1.103 32.798 31.700 -0.008 0.000 0.901 488 V N 1.927 121.882 119.914 0.069 0.000 2.672 488 V HA -0.097 4.023 4.120 -0.000 0.000 0.242 488 V C 2.535 178.712 176.094 0.139 0.000 1.059 488 V CA 2.207 64.580 62.300 0.123 0.000 1.081 488 V CB -1.528 30.323 31.823 0.047 0.000 0.752 488 V HN 0.689 nan 8.190 nan 0.000 0.472 489 T N -0.829 113.757 114.554 0.054 0.000 3.118 489 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 489 T C 1.405 176.096 174.700 -0.016 0.000 1.166 489 T CA 1.624 63.738 62.100 0.023 0.000 1.073 489 T CB -0.766 68.104 68.868 0.004 0.000 0.884 489 T HN 0.621 nan 8.240 nan 0.000 0.550 490 T N -2.169 112.339 114.554 -0.076 0.000 3.107 490 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 490 T C 0.740 175.249 174.700 -0.320 0.000 1.096 490 T CA -0.028 61.947 62.100 -0.208 0.000 1.012 490 T CB -0.464 68.227 68.868 -0.296 0.000 0.977 490 T HN 0.627 nan 8.240 nan 0.000 0.527 491 H N 0.396 119.462 119.070 -0.007 0.000 2.503 491 H HA 0.517 5.073 4.556 -0.000 0.000 0.296 491 H C -0.127 175.202 175.328 0.001 0.000 1.097 491 H CA -0.506 55.540 56.048 -0.003 0.000 1.055 491 H CB 0.036 29.795 29.762 -0.005 0.000 1.580 491 H HN 0.150 nan 8.280 nan 0.000 0.546 492 V N 2.527 122.479 119.914 0.063 0.000 2.485 492 V HA -0.033 4.087 4.120 -0.000 0.000 0.287 492 V C 0.210 176.330 176.094 0.044 0.000 1.022 492 V CA 0.083 62.412 62.300 0.048 0.000 1.067 492 V CB 0.666 32.504 31.823 0.026 0.000 0.967 492 V HN 0.463 nan 8.190 nan 0.000 0.479 493 Q N 7.258 127.085 119.800 0.045 0.000 2.226 493 Q HA 0.390 4.730 4.340 -0.000 0.000 0.256 493 Q C -2.244 173.775 176.000 0.032 0.000 0.962 493 Q CA -2.283 53.542 55.803 0.038 0.000 0.887 493 Q CB 1.170 29.930 28.738 0.038 0.000 1.282 493 Q HN 0.457 nan 8.270 nan 0.000 0.449 494 P HA 0.142 nan 4.420 nan 0.000 0.256 494 P C -0.708 176.607 177.300 0.027 0.000 1.688 494 P CA 0.099 63.215 63.100 0.026 0.000 1.162 494 P CB -0.257 31.456 31.700 0.021 0.000 1.870 495 A N 2.351 125.190 122.820 0.031 0.000 2.386 495 A HA 0.179 4.499 4.320 -0.000 0.000 0.246 495 A C 0.693 178.294 177.584 0.028 0.000 1.089 495 A CA -0.119 51.937 52.037 0.030 0.000 0.790 495 A CB -0.256 18.765 19.000 0.035 0.000 1.042 495 A HN 0.602 nan 8.150 nan 0.000 0.497 499 N N 0.235 118.949 118.700 0.024 0.000 2.300 499 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 499 N C 0.516 176.053 175.510 0.045 0.000 1.016 499 N CA 0.772 53.839 53.050 0.029 0.000 0.876 499 N CB 0.007 38.506 38.487 0.019 0.000 0.979 499 N HN 0.559 nan 8.380 nan 0.000 0.432 500 Q N 0.381 120.207 119.800 0.045 0.000 2.923 500 Q HA 0.364 4.703 4.340 -0.000 0.000 0.363 500 Q C 0.189 176.220 176.000 0.052 0.000 1.159 500 Q CA -0.413 55.427 55.803 0.062 0.000 1.073 500 Q CB 1.167 29.940 28.738 0.058 0.000 1.364 500 Q HN 0.276 nan 8.270 nan 0.000 0.466 501 A N 0.772 123.619 122.820 0.046 0.000 2.067 501 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 501 A C 1.032 178.637 177.584 0.035 0.000 1.158 501 A CA 0.740 52.798 52.037 0.035 0.000 0.661 501 A CB 0.210 19.226 19.000 0.028 0.000 0.801 501 A HN 0.378 nan 8.150 nan 0.000 0.452 502 V N -0.899 119.041 119.914 0.044 0.000 2.588 502 V HA 0.714 4.834 4.120 -0.000 0.000 0.304 502 V C -1.303 174.825 176.094 0.057 0.000 1.042 502 V CA -0.800 61.523 62.300 0.038 0.000 0.877 502 V CB 1.106 32.945 31.823 0.026 0.000 0.996 502 V HN 0.557 nan 8.190 nan 0.000 0.425 503 N N 1.610 120.340 118.700 0.050 0.000 2.331 503 N HA 0.473 5.213 4.740 -0.000 0.000 0.280 503 N C 0.569 176.106 175.510 0.045 0.000 1.155 503 N CA -0.242 52.847 53.050 0.064 0.000 0.822 503 N CB 2.054 40.581 38.487 0.068 0.000 1.619 503 N HN 0.637 nan 8.380 nan 0.000 0.476 504 S N 1.800 117.528 115.700 0.046 0.000 2.402 504 S HA -0.071 4.398 4.470 -0.000 0.000 0.229 504 S C 0.912 175.529 174.600 0.028 0.000 1.021 504 S CA 0.463 58.681 58.200 0.029 0.000 0.974 504 S CB -0.775 62.439 63.200 0.024 0.000 0.800 504 S HN 0.666 nan 8.310 nan 0.000 0.484 505 L N -0.313 120.929 121.223 0.033 0.000 3.865 505 L HA -0.272 4.068 4.340 -0.000 0.000 0.408 505 L C 1.686 178.567 176.870 0.018 0.000 1.209 505 L CA 0.095 54.951 54.840 0.027 0.000 0.940 505 L CB -2.493 39.585 42.059 0.032 0.000 1.971 505 L HN 0.502 nan 8.230 nan 0.000 0.899 506 A N 0.127 122.958 122.820 0.017 0.000 1.877 506 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 506 A C 1.916 179.502 177.584 0.003 0.000 1.186 506 A CA 1.880 53.922 52.037 0.009 0.000 0.620 506 A CB -0.150 18.856 19.000 0.009 0.000 0.822 506 A HN 0.441 nan 8.150 nan 0.000 0.443 507 L N 0.015 121.239 121.223 0.002 0.000 2.083 507 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 507 L C 2.224 179.088 176.870 -0.010 0.000 1.083 507 L CA 1.663 56.499 54.840 -0.007 0.000 0.752 507 L CB -0.345 41.708 42.059 -0.010 0.000 0.899 507 L HN 0.454 nan 8.230 nan 0.000 0.433 508 I N -1.660 118.906 120.570 -0.006 0.000 2.226 508 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 508 I C 2.633 178.745 176.117 -0.008 0.000 1.100 508 I CA 1.446 62.741 61.300 -0.008 0.000 1.374 508 I CB -0.514 37.484 38.000 -0.004 0.000 1.057 508 I HN 0.277 nan 8.210 nan 0.000 0.413 509 S N 0.446 116.144 115.700 -0.003 0.000 2.368 509 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 509 S C 2.208 176.804 174.600 -0.008 0.000 1.030 509 S CA 1.394 59.592 58.200 -0.003 0.000 0.999 509 S CB -0.188 63.013 63.200 0.001 0.000 0.844 509 S HN 0.477 nan 8.310 nan 0.000 0.459 510 A N 1.580 124.394 122.820 -0.009 0.000 1.902 510 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 510 A C 2.201 179.777 177.584 -0.013 0.000 1.181 510 A CA 1.452 53.482 52.037 -0.012 0.000 0.623 510 A CB -0.605 18.387 19.000 -0.014 0.000 0.818 510 A HN 0.582 nan 8.150 nan 0.000 0.443 511 R N -1.030 119.461 120.500 -0.015 0.000 2.083 511 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 511 R C 2.431 178.723 176.300 -0.013 0.000 1.137 511 R CA 1.455 57.544 56.100 -0.017 0.000 0.951 511 R CB -0.277 30.011 30.300 -0.021 0.000 0.851 511 R HN 0.308 nan 8.270 nan 0.000 0.434 512 R N -0.071 120.421 120.500 -0.013 0.000 2.081 512 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 512 R C 2.227 178.523 176.300 -0.008 0.000 1.131 512 R CA 1.642 57.735 56.100 -0.011 0.000 0.960 512 R CB -1.123 29.167 30.300 -0.017 0.000 0.856 512 R HN 0.266 nan 8.270 nan 0.000 0.436 513 T N 0.656 115.204 114.554 -0.009 0.000 2.788 513 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 513 T C 1.730 176.428 174.700 -0.004 0.000 1.044 513 T CA 1.837 63.932 62.100 -0.007 0.000 1.139 513 T CB -0.222 68.640 68.868 -0.010 0.000 0.867 513 T HN 0.311 nan 8.240 nan 0.000 0.454 514 T N 1.408 115.959 114.554 -0.005 0.000 2.833 514 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 514 T C 1.908 176.609 174.700 0.003 0.000 1.054 514 T CA 1.247 63.345 62.100 -0.002 0.000 1.135 514 T CB -0.155 68.708 68.868 -0.008 0.000 0.869 514 T HN 0.560 nan 8.240 nan 0.000 0.466 515 E N 0.542 120.743 120.200 0.001 0.000 2.107 515 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 515 E C 2.263 178.869 176.600 0.010 0.000 0.982 515 E CA 0.873 57.276 56.400 0.006 0.000 0.809 515 E CB -0.007 29.696 29.700 0.005 0.000 0.756 515 E HN 0.299 nan 8.360 nan 0.000 0.459 516 S N 0.982 116.688 115.700 0.011 0.000 2.356 516 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 516 S C 1.664 176.275 174.600 0.019 0.000 1.032 516 S CA 1.050 59.260 58.200 0.017 0.000 1.005 516 S CB -0.350 62.859 63.200 0.015 0.000 0.867 516 S HN 0.350 nan 8.310 nan 0.000 0.449 517 N N 1.425 120.135 118.700 0.016 0.000 2.137 517 N HA -0.140 4.599 4.740 -0.000 0.000 0.190 517 N C 1.407 176.935 175.510 0.030 0.000 1.017 517 N CA 1.276 54.338 53.050 0.020 0.000 0.859 517 N CB -0.601 37.894 38.487 0.014 0.000 1.002 517 N HN 0.396 nan 8.380 nan 0.000 0.428 518 D N 0.346 120.766 120.400 0.033 0.000 2.075 518 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 518 D C 2.070 178.393 176.300 0.039 0.000 0.985 518 D CA 1.482 55.521 54.000 0.065 0.000 0.834 518 D CB -0.095 40.737 40.800 0.053 0.000 0.987 518 D HN 0.096 nan 8.370 nan 0.000 0.452 519 V N -0.139 119.762 119.914 -0.021 0.000 2.392 519 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 519 V C 2.593 178.639 176.094 -0.080 0.000 1.059 519 V CA 1.349 63.587 62.300 -0.104 0.000 1.051 519 V CB -1.036 30.761 31.823 -0.044 0.000 0.658 519 V HN 0.282 nan 8.190 nan 0.000 0.455 520 L N 0.231 121.458 121.223 0.008 0.000 2.131 520 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 520 L C 2.627 179.533 176.870 0.059 0.000 1.092 520 L CA 1.953 56.823 54.840 0.050 0.000 0.759 520 L CB -0.300 41.796 42.059 0.063 0.000 0.903 520 L HN 0.453 nan 8.230 nan 0.000 0.435 521 S N -0.153 115.587 115.700 0.067 0.000 2.423 521 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 521 S C 1.843 176.557 174.600 0.189 0.000 1.014 521 S CA 0.793 59.069 58.200 0.127 0.000 0.965 521 S CB -0.021 63.255 63.200 0.127 0.000 0.785 521 S HN 0.362 nan 8.310 nan 0.000 0.495 522 L N 0.282 121.500 121.223 -0.007 0.000 2.095 522 L HA -0.001 4.339 4.340 -0.000 0.000 0.204 522 L C 2.292 179.110 176.870 -0.086 0.000 1.080 522 L CA 0.584 55.267 54.840 -0.260 0.000 0.759 522 L CB -0.432 41.040 42.059 -0.978 0.000 0.914 522 L HN 0.293 nan 8.230 nan 0.000 0.439 523 L N 0.134 121.355 121.223 -0.003 0.000 2.017 523 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 523 L C 2.244 179.277 176.870 0.272 0.000 1.073 523 L CA 1.811 56.833 54.840 0.304 0.000 0.745 523 L CB -0.421 41.809 42.059 0.285 0.000 0.894 523 L HN 0.103 nan 8.230 nan 0.000 0.432 524 L N -0.817 120.531 121.223 0.208 0.000 2.291 524 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 524 L C 2.541 179.529 176.870 0.195 0.000 1.120 524 L CA 0.755 55.719 54.840 0.207 0.000 0.799 524 L CB -0.842 41.303 42.059 0.143 0.000 0.925 524 L HN 0.363 nan 8.230 nan 0.000 0.446 525 A N -0.267 122.671 122.820 0.197 0.000 1.929 525 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 525 A C 2.352 180.073 177.584 0.229 0.000 1.176 525 A CA 1.935 54.093 52.037 0.203 0.000 0.628 525 A CB -0.642 18.498 19.000 0.233 0.000 0.816 525 A HN 0.311 nan 8.150 nan 0.000 0.444 526 T N -1.575 113.127 114.554 0.247 0.000 2.821 526 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 526 T C 1.789 176.679 174.700 0.316 0.000 1.046 526 T CA 1.469 63.728 62.100 0.265 0.000 1.139 526 T CB -0.398 68.642 68.868 0.287 0.000 0.871 526 T HN 0.768 nan 8.240 nan 0.000 0.454 527 H N 0.053 119.227 119.070 0.173 0.000 2.363 527 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 527 H C 2.301 177.694 175.328 0.107 0.000 1.074 527 H CA 0.715 56.837 56.048 0.125 0.000 1.354 527 H CB -0.058 29.770 29.762 0.110 0.000 1.397 527 H HN 0.128 nan 8.280 nan 0.000 0.516 528 L N 0.676 121.990 121.223 0.153 0.000 2.046 528 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 528 L C 2.213 179.144 176.870 0.102 0.000 1.077 528 L CA 1.686 56.558 54.840 0.053 0.000 0.747 528 L CB -1.216 40.884 42.059 0.069 0.000 0.896 528 L HN 0.360 nan 8.230 nan 0.000 0.432 529 Y N -0.448 119.892 120.300 0.065 0.000 2.070 529 Y HA -0.328 4.222 4.550 -0.000 0.000 0.280 529 Y C 2.679 178.599 175.900 0.034 0.000 1.148 529 Y CA 2.197 60.327 58.100 0.049 0.000 1.125 529 Y CB -0.903 37.595 38.460 0.064 0.000 0.975 529 Y HN 0.280 nan 8.280 nan 0.000 0.492 530 C N -1.009 118.341 119.300 0.083 0.000 2.429 530 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 530 C C 2.902 177.848 174.990 -0.074 0.000 1.262 530 C CA 1.207 60.199 59.018 -0.044 0.000 1.733 530 C CB -1.381 26.406 27.740 0.078 0.000 2.010 530 C HN 0.574 nan 8.230 nan 0.000 0.483 531 V N 0.339 120.266 119.914 0.021 0.000 2.759 531 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 531 V C 2.068 178.121 176.094 -0.070 0.000 1.080 531 V CA 1.609 63.901 62.300 -0.012 0.000 1.101 531 V CB -0.343 31.482 31.823 0.003 0.000 0.698 531 V HN 0.483 nan 8.190 nan 0.000 0.477 532 L N -0.343 120.826 121.223 -0.091 0.000 2.131 532 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 532 L C 2.362 179.179 176.870 -0.088 0.000 1.087 532 L CA 2.048 56.846 54.840 -0.070 0.000 0.767 532 L CB -0.827 41.148 42.059 -0.140 0.000 0.917 532 L HN 0.457 nan 8.230 nan 0.000 0.441 533 Q N -0.334 119.356 119.800 -0.185 0.000 2.079 533 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 533 Q C 2.214 178.146 176.000 -0.113 0.000 0.974 533 Q CA 1.928 57.652 55.803 -0.131 0.000 0.840 533 Q CB -0.272 28.361 28.738 -0.175 0.000 0.898 533 Q HN 0.402 nan 8.270 nan 0.000 0.430 534 A N 0.555 123.292 122.820 -0.138 0.000 1.883 534 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 534 A C 2.168 179.606 177.584 -0.243 0.000 1.186 534 A CA 1.720 53.656 52.037 -0.169 0.000 0.624 534 A CB -0.908 17.997 19.000 -0.160 0.000 0.822 534 A HN 0.511 nan 8.150 nan 0.000 0.444 535 I N -0.192 120.236 120.570 -0.237 0.000 2.264 535 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 535 I C 1.786 177.767 176.117 -0.227 0.000 1.111 535 I CA 1.486 62.584 61.300 -0.337 0.000 1.382 535 I CB -0.397 37.495 38.000 -0.179 0.000 1.060 535 I HN 0.283 nan 8.210 nan 0.000 0.418 536 D N 0.440 120.756 120.400 -0.140 0.000 2.149 536 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 536 D C 2.068 178.096 176.300 -0.453 0.000 0.972 536 D CA 1.055 54.895 54.000 -0.267 0.000 0.835 536 D CB -0.043 40.630 40.800 -0.211 0.000 0.966 536 D HN 0.163 nan 8.370 nan 0.000 0.476 537 L N 0.464 121.496 121.223 -0.318 0.000 2.275 537 L HA -0.038 4.301 4.340 -0.000 0.000 0.215 537 L C 2.249 178.962 176.870 -0.261 0.000 1.119 537 L CA 1.067 55.744 54.840 -0.272 0.000 0.790 537 L CB -0.420 41.539 42.059 -0.166 0.000 0.919 537 L HN -0.109 nan 8.230 nan 0.000 0.443 538 R N -0.941 119.368 120.500 -0.318 0.000 2.112 538 R HA 0.075 4.414 4.340 -0.000 0.000 0.216 538 R C 2.262 178.364 176.300 -0.329 0.000 1.080 538 R CA 0.995 56.858 56.100 -0.394 0.000 0.996 538 R CB -0.157 29.754 30.300 -0.650 0.000 0.902 538 R HN 0.226 nan 8.270 nan 0.000 0.449 539 A N 0.923 123.658 122.820 -0.142 0.000 1.940 539 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 539 A C 2.088 179.670 177.584 -0.003 0.000 1.176 539 A CA 1.463 53.531 52.037 0.052 0.000 0.631 539 A CB -0.580 18.490 19.000 0.116 0.000 0.814 539 A HN 0.370 nan 8.150 nan 0.000 0.446 540 I N -0.795 119.671 120.570 -0.174 0.000 2.439 540 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 540 I C 2.534 178.682 176.117 0.051 0.000 1.139 540 I CA 1.438 62.672 61.300 -0.110 0.000 1.438 540 I CB -0.266 37.577 38.000 -0.261 0.000 1.085 540 I HN 0.550 nan 8.210 nan 0.000 0.427 541 E N 1.564 121.779 120.200 0.025 0.000 2.047 541 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 541 E C 2.285 179.114 176.600 0.381 0.000 0.987 541 E CA 1.309 57.798 56.400 0.149 0.000 0.799 541 E CB -0.146 29.607 29.700 0.088 0.000 0.752 541 E HN 0.480 nan 8.360 nan 0.000 0.449 542 F N 0.844 120.804 119.950 0.017 0.000 2.269 542 F HA -0.123 4.404 4.527 -0.000 0.000 0.301 542 F C 2.391 178.244 175.800 0.088 0.000 1.082 542 F CA 0.140 58.114 58.000 -0.043 0.000 1.360 542 F CB 0.210 38.945 39.000 -0.441 0.000 1.041 542 F HN 0.049 nan 8.300 nan 0.000 0.512 543 E N -0.182 120.221 120.200 0.338 0.000 2.285 543 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 543 E C 1.700 178.440 176.600 0.233 0.000 0.997 543 E CA 0.611 57.171 56.400 0.266 0.000 0.845 543 E CB -0.419 29.416 29.700 0.226 0.000 0.782 543 E HN 0.426 nan 8.360 nan 0.000 0.491 544 F N 1.535 121.558 119.950 0.121 0.000 2.335 544 F HA 0.021 4.548 4.527 -0.000 0.000 0.296 544 F C 2.037 177.913 175.800 0.126 0.000 1.091 544 F CA 0.835 58.888 58.000 0.089 0.000 1.399 544 F CB 0.270 39.304 39.000 0.056 0.000 1.067 544 F HN -0.192 nan 8.300 nan 0.000 0.520 545 K N 1.570 122.182 120.400 0.354 0.000 2.031 545 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 545 K C 2.141 178.788 176.600 0.078 0.000 1.049 545 K CA 1.380 57.815 56.287 0.246 0.000 0.939 545 K CB -0.579 32.026 32.500 0.175 0.000 0.717 545 K HN 0.285 nan 8.250 nan 0.000 0.438 546 K N 0.508 120.945 120.400 0.062 0.000 2.228 546 K HA -0.216 4.103 4.320 -0.000 0.000 0.205 546 K C 1.867 178.462 176.600 -0.007 0.000 1.045 546 K CA 1.824 58.128 56.287 0.027 0.000 0.931 546 K CB 0.127 32.666 32.500 0.065 0.000 0.727 546 K HN 0.281 nan 8.250 nan 0.000 0.458 547 Q N -1.804 117.970 119.800 -0.043 0.000 2.423 547 Q HA 0.028 4.368 4.340 -0.000 0.000 0.231 547 Q C 1.596 177.538 176.000 -0.098 0.000 0.894 547 Q CA 0.174 55.929 55.803 -0.080 0.000 0.938 547 Q CB 0.104 28.780 28.738 -0.103 0.000 1.079 547 Q HN 0.172 nan 8.270 nan 0.000 0.552 548 F N 1.345 121.060 119.950 -0.393 0.000 2.259 548 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 548 F C 1.947 177.658 175.800 -0.148 0.000 1.088 548 F CA 1.310 59.076 58.000 -0.390 0.000 1.358 548 F CB -0.536 38.064 39.000 -0.666 0.000 1.040 548 F HN 0.053 nan 8.300 nan 0.000 0.505 549 G N 0.905 109.663 108.800 -0.070 0.000 2.553 549 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 549 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 549 G C -0.553 174.253 174.900 -0.156 0.000 1.195 549 G CA 1.084 46.128 45.100 -0.093 0.000 0.779 549 G HN 0.269 nan 8.290 nan 0.000 0.577 550 P HA -0.019 nan 4.420 nan 0.000 0.214 550 P C 2.292 179.496 177.300 -0.160 0.000 1.162 550 P CA 2.043 65.076 63.100 -0.111 0.000 0.879 550 P CB -0.254 31.399 31.700 -0.078 0.000 0.786 551 A N -0.742 121.948 122.820 -0.215 0.000 1.986 551 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 551 A C 2.194 179.572 177.584 -0.343 0.000 1.171 551 A CA 1.600 53.486 52.037 -0.251 0.000 0.640 551 A CB -1.726 17.137 19.000 -0.228 0.000 0.811 551 A HN 0.146 nan 8.150 nan 0.000 0.451 552 I N -0.671 119.615 120.570 -0.473 0.000 2.252 552 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 552 I C 2.276 178.339 176.117 -0.089 0.000 1.102 552 I CA 1.094 62.196 61.300 -0.330 0.000 1.385 552 I CB -0.242 37.585 38.000 -0.289 0.000 1.064 552 I HN 0.179 nan 8.210 nan 0.000 0.414 553 V N -0.135 119.726 119.914 -0.089 0.000 2.358 553 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 553 V C 2.488 178.565 176.094 -0.029 0.000 1.047 553 V CA 1.906 64.185 62.300 -0.035 0.000 1.035 553 V CB -0.623 31.177 31.823 -0.039 0.000 0.658 553 V HN 0.340 nan 8.190 nan 0.000 0.452 554 S N 0.291 115.961 115.700 -0.051 0.000 2.383 554 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 554 S C 1.864 176.460 174.600 -0.006 0.000 1.030 554 S CA 1.406 59.584 58.200 -0.036 0.000 1.002 554 S CB -0.327 62.843 63.200 -0.050 0.000 0.829 554 S HN 0.330 nan 8.310 nan 0.000 0.467 555 L N 1.246 122.477 121.223 0.013 0.000 2.072 555 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 555 L C 2.065 179.025 176.870 0.150 0.000 1.079 555 L CA 1.278 56.195 54.840 0.128 0.000 0.752 555 L CB -0.878 41.208 42.059 0.044 0.000 0.906 555 L HN 0.289 nan 8.230 nan 0.000 0.436 556 I N -0.426 120.191 120.570 0.079 0.000 2.208 556 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 556 I C 2.029 178.059 176.117 -0.146 0.000 1.097 556 I CA 1.287 62.489 61.300 -0.164 0.000 1.363 556 I CB -0.294 37.685 38.000 -0.036 0.000 1.051 556 I HN 0.301 nan 8.210 nan 0.000 0.413 557 D N 0.043 120.417 120.400 -0.042 0.000 2.103 557 D HA -0.200 4.439 4.640 -0.000 0.000 0.199 557 D C 2.026 178.308 176.300 -0.030 0.000 0.978 557 D CA 0.994 54.982 54.000 -0.020 0.000 0.829 557 D CB -0.257 40.535 40.800 -0.014 0.000 0.981 557 D HN 0.389 nan 8.370 nan 0.000 0.464 558 Q N -0.077 119.701 119.800 -0.038 0.000 2.002 558 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 558 Q C 1.939 177.846 176.000 -0.156 0.000 0.988 558 Q CA 1.636 57.385 55.803 -0.091 0.000 0.843 558 Q CB -0.057 28.620 28.738 -0.103 0.000 0.908 558 Q HN 0.396 nan 8.270 nan 0.000 0.420 559 H N -1.116 117.862 119.070 -0.153 0.000 2.395 559 H HA 0.073 4.629 4.556 -0.000 0.000 0.299 559 H C 0.487 175.840 175.328 0.042 0.000 1.070 559 H CA 1.392 57.347 56.048 -0.155 0.000 1.356 559 H CB 0.090 29.643 29.762 -0.348 0.000 1.401 559 H HN 0.189 nan 8.280 nan 0.000 0.524 560 F N -2.166 117.784 119.950 0.001 0.000 2.750 560 F HA 0.429 4.956 4.527 -0.000 0.000 0.295 560 F C 2.055 177.825 175.800 -0.051 0.000 1.251 560 F CA -0.465 57.496 58.000 -0.066 0.000 1.043 560 F CB 0.224 39.126 39.000 -0.163 0.000 1.928 560 F HN 0.220 nan 8.300 nan 0.000 0.526 561 G N 0.385 109.294 108.800 0.182 0.000 3.444 561 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.222 561 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.222 561 G C 1.287 176.215 174.900 0.047 0.000 1.358 561 G CA 0.841 45.987 45.100 0.075 0.000 0.880 561 G HN 0.594 nan 8.290 nan 0.000 0.555 562 S N 1.422 117.153 115.700 0.053 0.000 2.400 562 S HA 0.342 4.812 4.470 -0.000 0.000 0.232 562 S C 1.640 176.253 174.600 0.022 0.000 1.025 562 S CA 1.845 60.064 58.200 0.030 0.000 0.993 562 S CB -0.509 62.710 63.200 0.031 0.000 0.808 562 S HN 1.793 nan 8.310 nan 0.000 0.478 566 G N 1.876 110.672 108.800 -0.007 0.000 2.143 566 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 566 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 566 G C 0.833 175.727 174.900 -0.011 0.000 0.981 566 G CA 0.885 45.980 45.100 -0.008 0.000 0.665 566 G HN 2.079 nan 8.290 nan 0.000 0.528 567 S N -0.844 114.849 115.700 -0.012 0.000 2.527 567 S HA 0.256 4.726 4.470 -0.000 0.000 0.227 567 S C 0.948 175.540 174.600 -0.014 0.000 1.059 567 S CA 1.155 59.346 58.200 -0.015 0.000 0.919 567 S CB 0.119 63.306 63.200 -0.022 0.000 0.805 567 S HN 1.746 nan 8.310 nan 0.000 0.500 568 N N -0.020 118.674 118.700 -0.011 0.000 2.862 568 N HA -0.096 4.644 4.740 -0.000 0.000 0.246 568 N C -0.022 175.481 175.510 -0.011 0.000 1.111 568 N CA 0.721 53.765 53.050 -0.009 0.000 0.688 568 N CB -1.669 36.813 38.487 -0.009 0.000 1.018 568 N HN 0.422 nan 8.380 nan 0.000 0.556 569 L N -0.680 120.535 121.223 -0.013 0.000 2.803 569 L HA 0.282 4.622 4.340 -0.000 0.000 0.246 569 L C 2.174 179.039 176.870 -0.009 0.000 1.100 569 L CA 0.347 55.177 54.840 -0.017 0.000 0.919 569 L CB -0.610 41.429 42.059 -0.032 0.000 1.285 569 L HN 0.358 nan 8.230 nan 0.000 0.522 570 R N 0.737 121.236 120.500 -0.002 0.000 2.127 570 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 570 R C 1.271 177.576 176.300 0.008 0.000 1.134 570 R CA 1.857 57.962 56.100 0.008 0.000 0.975 570 R CB 0.254 30.560 30.300 0.010 0.000 0.865 570 R HN 0.304 nan 8.270 nan 0.000 0.447 571 D N -0.451 119.951 120.400 0.004 0.000 2.162 571 D HA -0.133 4.507 4.640 -0.000 0.000 0.203 571 D C 1.675 177.978 176.300 0.006 0.000 0.967 571 D CA 0.902 54.905 54.000 0.005 0.000 0.840 571 D CB -0.049 40.752 40.800 0.001 0.000 0.972 571 D HN 0.336 nan 8.370 nan 0.000 0.482 572 E N 0.267 120.468 120.200 0.003 0.000 2.110 572 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 572 E C 1.910 178.515 176.600 0.008 0.000 0.988 572 E CA 0.483 56.885 56.400 0.003 0.000 0.804 572 E CB 0.042 29.739 29.700 -0.003 0.000 0.745 572 E HN 0.165 nan 8.360 nan 0.000 0.458 573 L N 0.878 122.106 121.223 0.008 0.000 2.109 573 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 573 L C 2.260 179.153 176.870 0.039 0.000 1.086 573 L CA 1.035 55.885 54.840 0.016 0.000 0.760 573 L CB -0.472 41.591 42.059 0.008 0.000 0.910 573 L HN 0.121 nan 8.230 nan 0.000 0.437 574 V N 0.187 120.122 119.914 0.035 0.000 2.427 574 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 574 V C 2.545 178.664 176.094 0.042 0.000 1.051 574 V CA 1.813 64.140 62.300 0.045 0.000 1.048 574 V CB -0.510 31.329 31.823 0.027 0.000 0.666 574 V HN 0.504 nan 8.190 nan 0.000 0.456 575 E N 0.339 120.556 120.200 0.028 0.000 2.112 575 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 575 E C 2.185 178.798 176.600 0.022 0.000 0.979 575 E CA 0.909 57.321 56.400 0.021 0.000 0.814 575 E CB 0.063 29.770 29.700 0.012 0.000 0.762 575 E HN 0.570 nan 8.360 nan 0.000 0.460 576 K N 0.011 120.426 120.400 0.025 0.000 2.167 576 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 576 K C 2.080 178.700 176.600 0.033 0.000 1.052 576 K CA 0.754 57.053 56.287 0.020 0.000 0.956 576 K CB 0.268 32.780 32.500 0.020 0.000 0.735 576 K HN 0.016 nan 8.250 nan 0.000 0.451 577 V N 2.201 122.161 119.914 0.076 0.000 2.427 577 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 577 V C 1.822 177.976 176.094 0.100 0.000 1.051 577 V CA 1.517 63.901 62.300 0.139 0.000 1.048 577 V CB -0.431 31.541 31.823 0.250 0.000 0.666 577 V HN 0.338 nan 8.190 nan 0.000 0.456 578 N N 0.346 119.092 118.700 0.076 0.000 2.120 578 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 578 N C 1.852 177.369 175.510 0.011 0.000 1.024 578 N CA 1.310 54.394 53.050 0.056 0.000 0.852 578 N CB -0.204 38.310 38.487 0.045 0.000 1.003 578 N HN 0.515 nan 8.380 nan 0.000 0.424 579 K N 0.119 120.513 120.400 -0.008 0.000 2.026 579 K HA -0.092 4.227 4.320 -0.000 0.000 0.208 579 K C 2.165 178.703 176.600 -0.103 0.000 1.048 579 K CA 1.757 58.020 56.287 -0.041 0.000 0.929 579 K CB -0.387 32.092 32.500 -0.034 0.000 0.713 579 K HN 0.370 nan 8.250 nan 0.000 0.439 580 T N -0.157 114.308 114.554 -0.148 0.000 2.951 580 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 580 T C 1.878 176.376 174.700 -0.336 0.000 1.073 580 T CA 0.517 62.417 62.100 -0.333 0.000 1.134 580 T CB -0.089 68.529 68.868 -0.417 0.000 0.884 580 T HN -0.076 nan 8.240 nan 0.000 0.479 581 L N 1.824 122.943 121.223 -0.174 0.000 2.005 581 L HA 0.315 4.655 4.340 -0.000 0.000 0.207 581 L C 3.088 179.875 176.870 -0.138 0.000 1.072 581 L CA 1.824 56.572 54.840 -0.154 0.000 0.744 581 L CB -1.400 40.630 42.059 -0.048 0.000 0.895 581 L HN 0.402 nan 8.230 nan 0.000 0.433 582 A N -1.066 121.709 122.820 -0.075 0.000 1.972 582 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 582 A C 2.410 179.937 177.584 -0.094 0.000 1.169 582 A CA 1.894 53.897 52.037 -0.056 0.000 0.635 582 A CB -0.541 18.450 19.000 -0.014 0.000 0.810 582 A HN 0.441 nan 8.150 nan 0.000 0.446 583 K N -0.772 119.550 120.400 -0.129 0.000 2.057 583 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 583 K C 2.263 178.784 176.600 -0.132 0.000 1.050 583 K CA 1.569 57.779 56.287 -0.128 0.000 0.935 583 K CB -0.108 32.291 32.500 -0.169 0.000 0.715 583 K HN 0.291 nan 8.250 nan 0.000 0.439 584 R N 0.390 120.778 120.500 -0.186 0.000 2.100 584 R HA 0.033 4.372 4.340 -0.000 0.000 0.220 584 R C 2.010 178.193 176.300 -0.194 0.000 1.091 584 R CA 0.790 56.808 56.100 -0.136 0.000 0.986 584 R CB -0.602 29.638 30.300 -0.100 0.000 0.888 584 R HN 0.145 nan 8.270 nan 0.000 0.444 585 L N 1.522 122.601 121.223 -0.241 0.000 2.079 585 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 585 L C 2.037 178.770 176.870 -0.229 0.000 1.081 585 L CA 1.738 56.391 54.840 -0.311 0.000 0.752 585 L CB -0.895 40.987 42.059 -0.295 0.000 0.896 585 L HN 0.268 nan 8.230 nan 0.000 0.433 586 E N -0.400 119.710 120.200 -0.149 0.000 2.070 586 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 586 E C 1.390 177.929 176.600 -0.101 0.000 1.004 586 E CA 1.012 57.349 56.400 -0.105 0.000 0.805 586 E CB -0.049 29.610 29.700 -0.069 0.000 0.744 586 E HN 0.506 nan 8.360 nan 0.000 0.451 587 Q N -0.171 119.569 119.800 -0.101 0.000 2.242 587 Q HA 0.118 4.457 4.340 -0.000 0.000 0.246 587 Q C 0.333 176.268 176.000 -0.109 0.000 0.883 587 Q CA 0.217 55.977 55.803 -0.072 0.000 0.984 587 Q CB 0.777 29.495 28.738 -0.033 0.000 1.096 587 Q HN 0.076 nan 8.270 nan 0.000 0.452 588 T N -0.101 114.332 114.554 -0.202 0.000 3.087 588 T HA -0.016 4.334 4.350 -0.000 0.000 0.283 588 T C 1.168 175.752 174.700 -0.193 0.000 0.956 588 T CA -0.111 61.765 62.100 -0.374 0.000 0.894 588 T CB 0.223 68.685 68.868 -0.677 0.000 1.160 588 T HN 0.388 nan 8.240 nan 0.000 0.532 589 N N 2.118 120.742 118.700 -0.126 0.000 2.659 589 N HA -0.087 4.653 4.740 -0.000 0.000 0.194 589 N C 1.055 176.565 175.510 0.000 0.000 1.140 589 N CA 0.964 53.962 53.050 -0.087 0.000 0.936 589 N CB -0.388 38.051 38.487 -0.080 0.000 0.970 589 N HN 0.443 nan 8.380 nan 0.000 0.449 590 S N -2.631 113.128 115.700 0.098 0.000 2.663 590 S HA 0.230 4.700 4.470 -0.000 0.000 0.243 590 S C -0.321 174.383 174.600 0.173 0.000 1.009 590 S CA -0.862 57.408 58.200 0.116 0.000 0.988 590 S CB -0.270 62.986 63.200 0.094 0.000 0.896 590 S HN 0.086 nan 8.310 nan 0.000 0.502 591 Y N 2.427 122.688 120.300 -0.065 0.000 2.354 591 Y HA 0.515 5.065 4.550 -0.000 0.000 0.322 591 Y C 0.550 176.422 175.900 -0.047 0.000 1.253 591 Y CA -1.459 56.607 58.100 -0.056 0.000 1.272 591 Y CB 0.345 38.753 38.460 -0.086 0.000 1.255 591 Y HN 0.122 nan 8.280 nan 0.000 0.500 592 D N 1.285 121.760 120.400 0.125 0.000 2.362 592 D HA -0.007 4.633 4.640 -0.000 0.000 0.242 592 D C 1.164 177.533 176.300 0.115 0.000 1.132 592 D CA -0.158 53.897 54.000 0.091 0.000 0.907 592 D CB 1.041 41.882 40.800 0.069 0.000 1.195 592 D HN 0.473 nan 8.370 nan 0.000 0.429 593 L N 2.803 124.097 121.223 0.118 0.000 1.976 593 L HA -0.270 4.070 4.340 -0.000 0.000 0.223 593 L C 2.184 179.205 176.870 0.252 0.000 1.081 593 L CA 1.781 56.726 54.840 0.176 0.000 0.784 593 L CB -0.577 41.599 42.059 0.195 0.000 0.896 593 L HN 0.373 nan 8.230 nan 0.000 0.438 594 V N 0.850 120.901 119.914 0.229 0.000 2.231 594 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 594 V C -0.222 176.068 176.094 0.326 0.000 1.054 594 V CA 2.589 65.057 62.300 0.279 0.000 1.015 594 V CB -2.129 29.821 31.823 0.211 0.000 0.638 594 V HN 0.477 nan 8.190 nan 0.000 0.444 595 P HA -0.173 nan 4.420 nan 0.000 0.219 595 P C 1.625 179.068 177.300 0.238 0.000 1.150 595 P CA 1.434 64.685 63.100 0.251 0.000 0.814 595 P CB -0.087 31.733 31.700 0.200 0.000 0.787 596 R N -0.384 120.196 120.500 0.132 0.000 2.083 596 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 596 R C 2.163 178.266 176.300 -0.329 0.000 1.137 596 R CA 1.877 57.864 56.100 -0.188 0.000 0.951 596 R CB -0.795 29.300 30.300 -0.341 0.000 0.851 596 R HN 0.162 nan 8.270 nan 0.000 0.434 597 W N -0.545 120.762 121.300 0.013 0.000 2.476 597 W HA -0.039 4.621 4.660 -0.000 0.000 0.281 597 W C 2.325 178.880 176.519 0.060 0.000 1.230 597 W CA 0.414 57.757 57.345 -0.003 0.000 1.287 597 W CB -0.077 29.387 29.460 0.007 0.000 1.108 597 W HN 0.237 nan 8.180 nan 0.000 0.567 598 H N -0.624 118.630 119.070 0.306 0.000 2.462 598 H HA -0.114 4.442 4.556 -0.000 0.000 0.292 598 H C 1.354 176.792 175.328 0.184 0.000 1.049 598 H CA 1.939 58.135 56.048 0.248 0.000 1.334 598 H CB -0.276 29.592 29.762 0.176 0.000 1.404 598 H HN 0.256 nan 8.280 nan 0.000 0.544 599 D N 0.353 120.877 120.400 0.206 0.000 2.123 599 D HA -0.057 4.582 4.640 -0.000 0.000 0.200 599 D C 2.333 178.668 176.300 0.059 0.000 0.976 599 D CA 1.139 55.199 54.000 0.100 0.000 0.831 599 D CB 0.062 40.849 40.800 -0.021 0.000 0.974 599 D HN 0.225 nan 8.370 nan 0.000 0.469 600 A N -0.295 122.491 122.820 -0.057 0.000 1.858 600 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 600 A C 1.999 179.533 177.584 -0.083 0.000 1.190 600 A CA 1.061 53.001 52.037 -0.161 0.000 0.617 600 A CB -1.206 17.553 19.000 -0.401 0.000 0.827 600 A HN 0.389 nan 8.150 nan 0.000 0.443 601 F N -0.311 119.735 119.950 0.159 0.000 2.748 601 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 601 F C 2.657 178.560 175.800 0.173 0.000 1.154 601 F CA 0.844 58.907 58.000 0.104 0.000 1.446 601 F CB 0.113 39.052 39.000 -0.101 0.000 1.112 601 F HN 0.268 nan 8.300 nan 0.000 0.584 602 S N -0.323 115.571 115.700 0.323 0.000 2.425 602 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 602 S C 1.959 176.748 174.600 0.315 0.000 1.024 602 S CA 0.636 59.006 58.200 0.284 0.000 0.951 602 S CB -0.384 62.942 63.200 0.209 0.000 0.796 602 S HN 0.496 nan 8.310 nan 0.000 0.498 603 F N 1.470 121.491 119.950 0.118 0.000 2.293 603 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 603 F C 2.294 178.179 175.800 0.142 0.000 1.089 603 F CA 0.527 58.581 58.000 0.090 0.000 1.377 603 F CB -0.142 38.872 39.000 0.023 0.000 1.051 603 F HN 0.344 nan 8.300 nan 0.000 0.511 604 A N 0.431 123.491 122.820 0.400 0.000 1.898 604 A HA -0.113 4.206 4.320 -0.000 0.000 0.216 604 A C 2.286 180.172 177.584 0.503 0.000 1.181 604 A CA 1.407 53.687 52.037 0.404 0.000 0.620 604 A CB -1.241 18.080 19.000 0.534 0.000 0.819 604 A HN 0.417 nan 8.150 nan 0.000 0.442 605 A N -0.405 122.747 122.820 0.553 0.000 1.978 605 A HA 0.069 4.388 4.320 -0.000 0.000 0.220 605 A C 2.318 180.084 177.584 0.303 0.000 1.170 605 A CA 1.904 54.232 52.037 0.484 0.000 0.636 605 A CB -1.258 17.999 19.000 0.428 0.000 0.810 605 A HN 0.740 nan 8.150 nan 0.000 0.448 606 G N -1.519 107.462 108.800 0.302 0.000 2.443 606 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.219 606 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.219 606 G C 1.500 176.519 174.900 0.198 0.000 1.131 606 G CA 1.528 46.766 45.100 0.230 0.000 0.775 606 G HN 0.439 nan 8.290 nan 0.000 0.547 607 T N 0.736 115.422 114.554 0.221 0.000 2.770 607 T HA -0.068 4.281 4.350 -0.000 0.000 0.263 607 T C 2.579 177.328 174.700 0.082 0.000 1.039 607 T CA 1.017 63.201 62.100 0.141 0.000 1.142 607 T CB -0.243 68.701 68.868 0.127 0.000 0.868 607 T HN 0.039 nan 8.240 nan 0.000 0.435 608 V N 1.541 121.507 119.914 0.088 0.000 2.282 608 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 608 V C 2.670 178.724 176.094 -0.066 0.000 1.057 608 V CA 1.473 63.755 62.300 -0.031 0.000 1.032 608 V CB -0.799 30.990 31.823 -0.057 0.000 0.645 608 V HN 0.303 nan 8.190 nan 0.000 0.447 609 V N -0.340 119.574 119.914 -0.000 0.000 2.380 609 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 609 V C 2.400 178.482 176.094 -0.020 0.000 1.063 609 V CA 2.524 64.816 62.300 -0.013 0.000 1.055 609 V CB -0.483 31.359 31.823 0.033 0.000 0.657 609 V HN 0.699 nan 8.190 nan 0.000 0.455 610 E N -0.069 120.133 120.200 0.003 0.000 2.021 610 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 610 E C 2.257 178.844 176.600 -0.022 0.000 0.980 610 E CA 1.561 57.961 56.400 0.001 0.000 0.803 610 E CB 0.008 29.724 29.700 0.026 0.000 0.766 610 E HN 0.492 nan 8.360 nan 0.000 0.449 611 V N -0.270 119.627 119.914 -0.028 0.000 2.427 611 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 611 V C 1.763 177.812 176.094 -0.074 0.000 1.051 611 V CA 1.117 63.392 62.300 -0.041 0.000 1.048 611 V CB -0.282 31.521 31.823 -0.033 0.000 0.666 611 V HN 0.164 nan 8.190 nan 0.000 0.456 612 L N 1.328 122.480 121.223 -0.119 0.000 2.627 612 L HA 0.305 4.645 4.340 -0.000 0.000 0.232 612 L C 2.487 179.281 176.870 -0.126 0.000 1.150 612 L CA 1.351 56.092 54.840 -0.166 0.000 0.917 612 L CB -0.960 40.910 42.059 -0.315 0.000 1.104 612 L HN 0.505 nan 8.230 nan 0.000 0.445 613 S N 0.044 115.695 115.700 -0.082 0.000 2.428 613 S HA -0.207 4.263 4.470 -0.000 0.000 0.240 613 S C 1.862 176.430 174.600 -0.053 0.000 1.036 613 S CA 1.891 60.057 58.200 -0.057 0.000 1.009 613 S CB -0.016 63.163 63.200 -0.034 0.000 0.803 613 S HN 0.638 nan 8.310 nan 0.000 0.486 614 S N -0.724 114.943 115.700 -0.056 0.000 2.575 614 S HA 0.311 4.781 4.470 -0.000 0.000 0.237 614 S C 0.464 175.031 174.600 -0.056 0.000 0.975 614 S CA -0.297 57.875 58.200 -0.046 0.000 0.960 614 S CB 0.240 63.418 63.200 -0.036 0.000 0.822 614 S HN 0.347 nan 8.310 nan 0.000 0.472 615 T N 0.739 115.246 114.554 -0.079 0.000 2.833 615 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 615 T C 0.558 175.215 174.700 -0.072 0.000 1.031 615 T CA -0.401 61.646 62.100 -0.088 0.000 0.937 615 T CB 1.086 69.866 68.868 -0.145 0.000 1.256 615 T HN 0.205 nan 8.240 nan 0.000 0.551 616 S N 0.537 116.198 115.700 -0.066 0.000 2.754 616 S HA 0.375 4.845 4.470 -0.000 0.000 0.247 616 S C 0.100 174.674 174.600 -0.042 0.000 1.031 616 S CA -0.397 57.777 58.200 -0.044 0.000 1.014 616 S CB -0.218 62.966 63.200 -0.027 0.000 0.918 616 S HN 0.412 nan 8.310 nan 0.000 0.519 617 L N 2.681 123.859 121.223 -0.075 0.000 2.467 617 L HA 0.261 4.601 4.340 -0.000 0.000 0.270 617 L C 0.868 177.721 176.870 -0.029 0.000 1.205 617 L CA -0.240 54.562 54.840 -0.063 0.000 0.828 617 L CB 0.571 42.531 42.059 -0.166 0.000 1.101 617 L HN 0.259 nan 8.230 nan 0.000 0.479 618 S N 1.662 117.370 115.700 0.013 0.000 2.617 618 S HA 0.375 4.845 4.470 -0.000 0.000 0.283 618 S C 1.047 175.675 174.600 0.047 0.000 1.189 618 S CA -0.951 57.266 58.200 0.029 0.000 1.036 618 S CB 1.278 64.504 63.200 0.044 0.000 1.014 618 S HN 0.564 nan 8.310 nan 0.000 0.522 619 L N 1.118 122.369 121.223 0.047 0.000 2.127 619 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 619 L C 2.939 179.868 176.870 0.098 0.000 1.089 619 L CA 1.648 56.528 54.840 0.067 0.000 0.757 619 L CB -1.088 41.005 42.059 0.058 0.000 0.899 619 L HN 0.952 nan 8.230 nan 0.000 0.434 620 A N 0.055 122.930 122.820 0.092 0.000 1.930 620 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 620 A C 2.568 180.242 177.584 0.150 0.000 1.175 620 A CA 1.554 53.655 52.037 0.108 0.000 0.627 620 A CB -0.509 18.543 19.000 0.087 0.000 0.815 620 A HN 0.401 nan 8.150 nan 0.000 0.443 621 A N -0.506 122.409 122.820 0.158 0.000 1.902 621 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 621 A C 2.244 180.034 177.584 0.344 0.000 1.181 621 A CA 1.829 54.007 52.037 0.235 0.000 0.623 621 A CB -0.894 18.225 19.000 0.198 0.000 0.818 621 A HN 0.355 nan 8.150 nan 0.000 0.443 622 V N 0.719 120.809 119.914 0.293 0.000 2.244 622 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 622 V C 2.433 178.766 176.094 0.399 0.000 1.042 622 V CA 2.306 64.848 62.300 0.403 0.000 1.006 622 V CB -1.116 30.856 31.823 0.250 0.000 0.641 622 V HN 0.747 nan 8.190 nan 0.000 0.446 623 N N 0.520 119.378 118.700 0.264 0.000 2.192 623 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 623 N C 1.632 177.244 175.510 0.171 0.000 1.013 623 N CA 1.702 54.878 53.050 0.210 0.000 0.863 623 N CB -0.272 38.308 38.487 0.155 0.000 0.990 623 N HN 0.459 nan 8.380 nan 0.000 0.430 624 A N -0.462 122.467 122.820 0.182 0.000 1.858 624 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 624 A C 2.133 179.720 177.584 0.005 0.000 1.190 624 A CA 1.527 53.645 52.037 0.136 0.000 0.617 624 A CB -1.541 17.587 19.000 0.213 0.000 0.827 624 A HN 0.673 nan 8.150 nan 0.000 0.443 625 W N 1.042 122.173 121.300 -0.281 0.000 2.338 625 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 625 W C 2.172 178.438 176.519 -0.421 0.000 1.212 625 W CA 2.319 59.236 57.345 -0.713 0.000 1.264 625 W CB -0.102 28.975 29.460 -0.637 0.000 1.142 625 W HN 0.301 nan 8.180 nan 0.000 0.512 626 K N 0.047 120.344 120.400 -0.173 0.000 2.032 626 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 626 K C 1.771 178.149 176.600 -0.371 0.000 1.048 626 K CA 2.382 58.466 56.287 -0.337 0.000 0.927 626 K CB -0.633 31.930 32.500 0.106 0.000 0.712 626 K HN 0.167 nan 8.250 nan 0.000 0.441 627 V N 1.306 121.134 119.914 -0.145 0.000 2.295 627 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 627 V C 2.516 178.479 176.094 -0.218 0.000 1.049 627 V CA 2.019 64.285 62.300 -0.056 0.000 1.024 627 V CB -0.806 31.058 31.823 0.067 0.000 0.648 627 V HN 0.506 nan 8.190 nan 0.000 0.447 628 A N 0.044 122.684 122.820 -0.300 0.000 1.877 628 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 628 A C 2.460 179.760 177.584 -0.474 0.000 1.186 628 A CA 2.286 54.141 52.037 -0.303 0.000 0.620 628 A CB -0.954 17.894 19.000 -0.253 0.000 0.822 628 A HN 0.581 nan 8.150 nan 0.000 0.443 629 A N -0.125 122.165 122.820 -0.884 0.000 1.883 629 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 629 A C 2.552 179.630 177.584 -0.843 0.000 1.186 629 A CA 2.571 53.881 52.037 -1.211 0.000 0.624 629 A CB -1.179 16.327 19.000 -2.491 0.000 0.822 629 A HN 1.143 nan 8.150 nan 0.000 0.444 630 A N -0.617 121.800 122.820 -0.672 0.000 1.877 630 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 630 A C 1.936 179.372 177.584 -0.248 0.000 1.186 630 A CA 1.692 53.601 52.037 -0.213 0.000 0.620 630 A CB -0.535 18.167 19.000 -0.498 0.000 0.822 630 A HN 0.495 nan 8.150 nan 0.000 0.443 631 E N -0.056 119.993 120.200 -0.251 0.000 2.097 631 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 631 E C 2.328 178.853 176.600 -0.124 0.000 1.000 631 E CA 1.399 57.727 56.400 -0.120 0.000 0.804 631 E CB -0.565 29.091 29.700 -0.074 0.000 0.740 631 E HN 0.579 nan 8.360 nan 0.000 0.454 632 S N 0.387 115.992 115.700 -0.158 0.000 2.343 632 S HA -0.148 4.322 4.470 -0.000 0.000 0.219 632 S C 2.133 176.634 174.600 -0.165 0.000 1.033 632 S CA 1.564 59.705 58.200 -0.099 0.000 1.014 632 S CB -0.187 62.986 63.200 -0.045 0.000 0.915 632 S HN 0.318 nan 8.310 nan 0.000 0.435 633 A N 1.723 124.341 122.820 -0.335 0.000 1.892 633 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 633 A C 2.172 179.380 177.584 -0.627 0.000 1.188 633 A CA 1.859 53.294 52.037 -1.003 0.000 0.631 633 A CB -1.017 16.874 19.000 -1.848 0.000 0.822 633 A HN 0.656 nan 8.150 nan 0.000 0.447 634 I N -0.927 119.393 120.570 -0.416 0.000 2.208 634 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 634 I C 2.843 178.940 176.117 -0.033 0.000 1.097 634 I CA 1.673 62.898 61.300 -0.125 0.000 1.363 634 I CB -0.378 37.630 38.000 0.013 0.000 1.051 634 I HN 0.421 nan 8.210 nan 0.000 0.413 635 S N 0.817 116.489 115.700 -0.047 0.000 2.357 635 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 635 S C 2.087 176.694 174.600 0.013 0.000 1.031 635 S CA 0.939 59.138 58.200 -0.001 0.000 0.982 635 S CB -0.264 62.929 63.200 -0.011 0.000 0.853 635 S HN 0.346 nan 8.310 nan 0.000 0.458 636 L N 0.832 122.035 121.223 -0.033 0.000 2.079 636 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 636 L C 2.778 179.729 176.870 0.135 0.000 1.081 636 L CA 1.954 56.773 54.840 -0.034 0.000 0.752 636 L CB -0.585 41.327 42.059 -0.245 0.000 0.896 636 L HN 0.442 nan 8.230 nan 0.000 0.433 637 T N -1.061 113.662 114.554 0.282 0.000 2.812 637 T HA -0.171 4.179 4.350 -0.000 0.000 0.264 637 T C 1.926 176.736 174.700 0.183 0.000 1.042 637 T CA 1.004 63.298 62.100 0.323 0.000 1.140 637 T CB -0.061 68.843 68.868 0.061 0.000 0.870 637 T HN 0.348 nan 8.240 nan 0.000 0.445 638 R N 0.441 121.025 120.500 0.139 0.000 2.189 638 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 638 R C 2.615 179.001 176.300 0.144 0.000 1.092 638 R CA 1.097 57.282 56.100 0.141 0.000 0.989 638 R CB -0.211 30.167 30.300 0.130 0.000 0.876 638 R HN 0.580 nan 8.270 nan 0.000 0.457 639 Q N 0.680 120.556 119.800 0.126 0.000 2.089 639 Q HA -0.070 4.270 4.340 -0.000 0.000 0.195 639 Q C 2.122 178.204 176.000 0.137 0.000 0.963 639 Q CA 0.976 56.847 55.803 0.114 0.000 0.834 639 Q CB 0.120 28.905 28.738 0.077 0.000 0.906 639 Q HN 0.191 nan 8.270 nan 0.000 0.452 640 V N 0.928 120.934 119.914 0.154 0.000 2.490 640 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 640 V C 2.155 178.367 176.094 0.196 0.000 1.061 640 V CA 1.762 64.163 62.300 0.170 0.000 1.064 640 V CB -0.332 31.615 31.823 0.206 0.000 0.670 640 V HN 0.342 nan 8.190 nan 0.000 0.461 641 R N -0.443 120.184 120.500 0.212 0.000 2.061 641 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 641 R C 2.360 178.894 176.300 0.391 0.000 1.140 641 R CA 1.749 58.023 56.100 0.291 0.000 0.940 641 R CB -0.430 30.037 30.300 0.279 0.000 0.839 641 R HN 0.497 nan 8.270 nan 0.000 0.429 642 E N 0.131 120.510 120.200 0.298 0.000 2.130 642 E HA -0.168 4.181 4.350 -0.000 0.000 0.196 642 E C 1.998 178.727 176.600 0.214 0.000 0.998 642 E CA 1.611 58.171 56.400 0.267 0.000 0.806 642 E CB -0.323 29.485 29.700 0.180 0.000 0.738 642 E HN 0.340 nan 8.360 nan 0.000 0.459 643 T N 1.064 115.724 114.554 0.176 0.000 2.746 643 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 643 T C 1.552 176.316 174.700 0.108 0.000 1.039 643 T CA 1.142 63.317 62.100 0.125 0.000 1.142 643 T CB -0.375 68.564 68.868 0.118 0.000 0.866 643 T HN 0.170 nan 8.240 nan 0.000 0.444 644 F N 0.358 120.299 119.950 -0.017 0.000 2.113 644 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 644 F C 1.553 177.235 175.800 -0.197 0.000 1.103 644 F CA 0.836 58.740 58.000 -0.160 0.000 1.248 644 F CB -0.546 38.263 39.000 -0.318 0.000 0.999 644 F HN 0.198 nan 8.300 nan 0.000 0.475 645 W N -0.313 120.911 121.300 -0.126 0.000 2.825 645 W HA 0.019 4.679 4.660 -0.000 0.000 0.243 645 W C 2.680 179.099 176.519 -0.167 0.000 1.293 645 W CA 0.791 58.007 57.345 -0.215 0.000 1.403 645 W CB -0.469 28.964 29.460 -0.044 0.000 1.134 645 W HN -0.003 nan 8.180 nan 0.000 0.666 646 S N -0.281 115.447 115.700 0.047 0.000 2.456 646 S HA 0.297 4.767 4.470 -0.000 0.000 0.224 646 S C 1.226 175.804 174.600 -0.037 0.000 1.035 646 S CA 0.169 58.389 58.200 0.032 0.000 0.940 646 S CB -0.412 62.820 63.200 0.053 0.000 0.799 646 S HN -0.002 nan 8.310 nan 0.000 0.508 647 A N 1.388 124.142 122.820 -0.111 0.000 2.407 647 A HA 0.706 5.026 4.320 -0.000 0.000 0.248 647 A C 0.338 177.829 177.584 -0.155 0.000 1.082 647 A CA -0.016 51.949 52.037 -0.120 0.000 0.785 647 A CB 0.151 19.073 19.000 -0.130 0.000 1.020 647 A HN 0.568 nan 8.150 nan 0.000 0.489 648 A N 1.394 124.161 122.820 -0.088 0.000 2.322 648 A HA 0.486 4.806 4.320 -0.000 0.000 0.269 648 A C 1.615 179.158 177.584 -0.069 0.000 1.094 648 A CA 0.374 52.368 52.037 -0.070 0.000 0.807 648 A CB 0.173 19.154 19.000 -0.031 0.000 1.047 648 A HN 1.799 nan 8.150 nan 0.000 0.487 649 S N 0.940 116.608 115.700 -0.053 0.000 2.409 649 S HA -0.252 4.218 4.470 -0.000 0.000 0.237 649 S C 1.832 176.467 174.600 0.058 0.000 1.060 649 S CA 2.972 61.172 58.200 0.000 0.000 1.052 649 S CB -0.947 62.250 63.200 -0.005 0.000 0.871 649 S HN 1.320 nan 8.310 nan 0.000 0.465 650 T N -1.897 112.675 114.554 0.030 0.000 3.007 650 T HA 0.100 4.450 4.350 -0.000 0.000 0.270 650 T C 1.191 175.908 174.700 0.029 0.000 1.107 650 T CA 1.218 63.342 62.100 0.040 0.000 1.118 650 T CB -0.306 68.575 68.868 0.022 0.000 0.889 650 T HN 0.308 nan 8.240 nan 0.000 0.506 651 S N 1.189 116.895 115.700 0.009 0.000 2.592 651 S HA 0.429 4.899 4.470 -0.000 0.000 0.243 651 S C 0.137 174.735 174.600 -0.005 0.000 1.160 651 S CA -0.638 57.559 58.200 -0.006 0.000 1.145 651 S CB 0.462 63.653 63.200 -0.017 0.000 0.909 651 S HN 0.509 nan 8.310 nan 0.000 0.487 652 S N 3.642 119.360 115.700 0.031 0.000 2.531 652 S HA 0.204 4.674 4.470 -0.000 0.000 0.279 652 S C -0.990 173.646 174.600 0.060 0.000 1.305 652 S CA -1.442 56.811 58.200 0.088 0.000 1.058 652 S CB 0.732 64.061 63.200 0.215 0.000 0.899 652 S HN 0.225 nan 8.310 nan 0.000 0.493 653 P HA -0.113 nan 4.420 nan 0.000 0.218 653 P C 1.199 178.487 177.300 -0.021 0.000 1.148 653 P CA 1.374 64.507 63.100 0.054 0.000 0.822 653 P CB -0.133 31.668 31.700 0.167 0.000 0.784 654 A N 0.341 123.185 122.820 0.040 0.000 2.024 654 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 654 A C 2.358 179.834 177.584 -0.179 0.000 1.164 654 A CA 1.268 53.303 52.037 -0.003 0.000 0.643 654 A CB -1.583 17.331 19.000 -0.144 0.000 0.806 654 A HN 0.185 nan 8.150 nan 0.000 0.451 655 L N -0.408 120.672 121.223 -0.238 0.000 2.275 655 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 655 L C 2.295 179.032 176.870 -0.222 0.000 1.119 655 L CA 1.135 55.843 54.840 -0.221 0.000 0.790 655 L CB -0.327 41.649 42.059 -0.138 0.000 0.919 655 L HN 0.293 nan 8.230 nan 0.000 0.443 656 S N -1.391 114.106 115.700 -0.338 0.000 2.489 656 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 656 S C 1.257 175.458 174.600 -0.666 0.000 0.995 656 S CA 0.620 58.511 58.200 -0.514 0.000 0.934 656 S CB -0.038 62.749 63.200 -0.689 0.000 0.771 656 S HN 0.403 nan 8.310 nan 0.000 0.522 657 Y N 0.456 120.569 120.300 -0.312 0.000 2.526 657 Y HA 0.441 4.990 4.550 -0.000 0.000 0.265 657 Y C 0.601 176.287 175.900 -0.357 0.000 1.092 657 Y CA -0.880 56.890 58.100 -0.549 0.000 1.277 657 Y CB -0.145 37.474 38.460 -1.401 0.000 1.228 657 Y HN 0.049 nan 8.280 nan 0.000 0.507 658 L N 1.589 122.807 121.223 -0.007 0.000 2.456 658 L HA 0.111 4.450 4.340 -0.000 0.000 0.272 658 L C 0.999 177.907 176.870 0.063 0.000 1.189 658 L CA -0.353 54.566 54.840 0.131 0.000 0.846 658 L CB 0.494 42.590 42.059 0.062 0.000 1.111 658 L HN 0.174 nan 8.230 nan 0.000 0.475 659 S N 2.726 118.485 115.700 0.098 0.000 2.580 659 S HA 0.111 4.581 4.470 -0.000 0.000 0.266 659 S C -1.766 172.855 174.600 0.036 0.000 1.354 659 S CA -0.968 57.272 58.200 0.066 0.000 1.008 659 S CB 0.654 63.899 63.200 0.075 0.000 0.898 659 S HN 0.453 nan 8.310 nan 0.000 0.555 660 P HA -0.079 nan 4.420 nan 0.000 0.218 660 P C 1.570 178.882 177.300 0.020 0.000 1.148 660 P CA 0.985 64.093 63.100 0.013 0.000 0.822 660 P CB 0.102 31.806 31.700 0.005 0.000 0.784 661 R N -0.729 119.784 120.500 0.021 0.000 2.057 661 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 661 R C 2.260 178.578 176.300 0.031 0.000 1.136 661 R CA 2.147 58.257 56.100 0.017 0.000 0.952 661 R CB -2.245 28.058 30.300 0.004 0.000 0.848 661 R HN 0.306 nan 8.270 nan 0.000 0.430 662 T N -1.229 113.348 114.554 0.039 0.000 3.113 662 T HA -0.087 4.263 4.350 -0.000 0.000 0.263 662 T C 1.808 176.566 174.700 0.098 0.000 1.143 662 T CA 0.788 62.923 62.100 0.058 0.000 1.090 662 T CB 0.081 68.981 68.868 0.054 0.000 0.922 662 T HN 0.207 nan 8.240 nan 0.000 0.521 663 Q N 0.322 120.171 119.800 0.082 0.000 2.172 663 Q HA 0.080 4.420 4.340 -0.000 0.000 0.200 663 Q C 2.111 178.203 176.000 0.152 0.000 0.964 663 Q CA 0.943 56.806 55.803 0.100 0.000 0.855 663 Q CB -0.324 28.440 28.738 0.043 0.000 0.918 663 Q HN 0.651 nan 8.270 nan 0.000 0.444 664 I N 0.283 120.918 120.570 0.108 0.000 2.208 664 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 664 I C 2.126 178.336 176.117 0.156 0.000 1.097 664 I CA 0.689 62.053 61.300 0.107 0.000 1.363 664 I CB -0.207 37.825 38.000 0.054 0.000 1.051 664 I HN 0.291 nan 8.210 nan 0.000 0.413 665 L N -0.128 121.187 121.223 0.154 0.000 2.095 665 L HA -0.199 4.141 4.340 -0.000 0.000 0.204 665 L C 2.430 179.435 176.870 0.224 0.000 1.080 665 L CA 1.650 56.605 54.840 0.192 0.000 0.759 665 L CB -0.942 41.193 42.059 0.127 0.000 0.914 665 L HN 0.200 nan 8.230 nan 0.000 0.439 666 Y N 0.267 120.620 120.300 0.088 0.000 2.081 666 Y HA -0.353 4.197 4.550 -0.000 0.000 0.280 666 Y C 2.402 178.344 175.900 0.069 0.000 1.163 666 Y CA 2.391 60.531 58.100 0.066 0.000 1.135 666 Y CB -0.519 37.976 38.460 0.058 0.000 0.970 666 Y HN 0.249 nan 8.280 nan 0.000 0.498 667 A N -0.019 122.965 122.820 0.275 0.000 1.877 667 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 667 A C 2.177 179.815 177.584 0.089 0.000 1.186 667 A CA 1.652 53.793 52.037 0.173 0.000 0.620 667 A CB -1.639 17.474 19.000 0.188 0.000 0.822 667 A HN 0.671 nan 8.150 nan 0.000 0.443 668 F N 0.898 120.859 119.950 0.019 0.000 2.120 668 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 668 F C 2.061 177.848 175.800 -0.021 0.000 1.095 668 F CA 2.113 60.115 58.000 0.002 0.000 1.249 668 F CB -0.275 38.731 39.000 0.009 0.000 0.995 668 F HN 0.027 nan 8.300 nan 0.000 0.480 669 V N 0.401 120.154 119.914 -0.268 0.000 2.649 669 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 669 V C 2.494 178.410 176.094 -0.296 0.000 1.054 669 V CA 1.336 63.419 62.300 -0.361 0.000 1.073 669 V CB -0.522 31.203 31.823 -0.163 0.000 0.699 669 V HN 0.200 nan 8.190 nan 0.000 0.463 670 R N -0.277 120.048 120.500 -0.293 0.000 2.127 670 R HA 0.035 4.375 4.340 -0.000 0.000 0.217 670 R C 2.062 178.271 176.300 -0.153 0.000 1.074 670 R CA 0.838 56.780 56.100 -0.263 0.000 0.991 670 R CB -0.014 30.033 30.300 -0.422 0.000 0.895 670 R HN 0.476 nan 8.270 nan 0.000 0.450 671 E N 0.313 120.438 120.200 -0.125 0.000 2.121 671 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 671 E C 1.880 178.423 176.600 -0.097 0.000 0.940 671 E CA 0.422 56.779 56.400 -0.071 0.000 0.884 671 E CB -0.003 29.691 29.700 -0.010 0.000 0.874 671 E HN 0.242 nan 8.360 nan 0.000 0.471 672 E N 0.795 120.915 120.200 -0.132 0.000 2.051 672 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 672 E C 2.054 178.517 176.600 -0.229 0.000 0.991 672 E CA 0.778 57.092 56.400 -0.144 0.000 0.799 672 E CB 0.053 29.703 29.700 -0.084 0.000 0.748 672 E HN 0.109 nan 8.360 nan 0.000 0.449 673 L N -0.608 120.374 121.223 -0.402 0.000 2.558 673 L HA 0.129 4.469 4.340 -0.000 0.000 0.225 673 L C 1.263 178.038 176.870 -0.159 0.000 1.128 673 L CA 0.353 55.014 54.840 -0.298 0.000 0.868 673 L CB -0.121 41.699 42.059 -0.399 0.000 1.006 673 L HN 0.288 nan 8.230 nan 0.000 0.454 674 G N 1.289 110.002 108.800 -0.144 0.000 2.249 674 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 674 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 674 G C 0.054 174.926 174.900 -0.047 0.000 1.036 674 G CA 0.202 45.255 45.100 -0.078 0.000 0.824 674 G HN 0.163 nan 8.290 nan 0.000 0.504 675 V N 0.953 120.830 119.914 -0.062 0.000 2.370 675 V HA 0.560 4.679 4.120 -0.000 0.000 0.279 675 V C 0.279 176.364 176.094 -0.015 0.000 1.029 675 V CA -0.728 61.576 62.300 0.007 0.000 0.870 675 V CB 1.574 33.428 31.823 0.051 0.000 0.984 675 V HN 0.278 nan 8.190 nan 0.000 0.451 676 K N 2.707 123.133 120.400 0.043 0.000 2.238 676 K HA 0.780 5.100 4.320 -0.000 0.000 0.239 676 K C 0.077 176.748 176.600 0.118 0.000 0.987 676 K CA -0.649 55.667 56.287 0.048 0.000 0.857 676 K CB 2.163 34.709 32.500 0.078 0.000 1.154 676 K HN 0.695 nan 8.250 nan 0.000 0.439 677 A N 1.392 124.297 122.820 0.143 0.000 2.520 677 A HA 0.093 4.413 4.320 -0.000 0.000 0.235 677 A C 0.170 178.021 177.584 0.445 0.000 1.065 677 A CA 0.174 52.356 52.037 0.241 0.000 0.764 677 A CB 0.092 19.218 19.000 0.212 0.000 1.002 677 A HN 0.622 nan 8.150 nan 0.000 0.502 678 R N 1.019 121.750 120.500 0.385 0.000 2.294 678 R HA 0.369 4.709 4.340 -0.000 0.000 0.319 678 R C 0.900 177.264 176.300 0.107 0.000 0.984 678 R CA -0.574 55.626 56.100 0.167 0.000 0.861 678 R CB 0.856 31.075 30.300 -0.136 0.000 1.104 678 R HN 0.917 nan 8.270 nan 0.000 0.451 679 R N 2.153 122.464 120.500 -0.315 0.000 2.066 679 R HA 0.144 4.484 4.340 -0.000 0.000 0.224 679 R C -0.218 175.860 176.300 -0.369 0.000 1.122 679 R CA 1.286 56.958 56.100 -0.713 0.000 0.974 679 R CB 0.298 29.802 30.300 -1.327 0.000 0.871 679 R HN 0.846 nan 8.270 nan 0.000 0.435 680 G N 0.025 108.666 108.800 -0.265 0.000 2.873 680 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.507 680 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.507 680 G C -0.964 173.898 174.900 -0.063 0.000 1.440 680 G CA -0.344 44.669 45.100 -0.145 0.000 1.016 680 G HN 0.133 nan 8.290 nan 0.000 0.615 681 D N 0.895 121.264 120.400 -0.053 0.000 2.103 681 D HA -0.145 4.495 4.640 -0.000 0.000 0.190 681 D C 2.763 179.058 176.300 -0.009 0.000 0.997 681 D CA 1.832 55.815 54.000 -0.028 0.000 0.833 681 D CB -0.176 40.611 40.800 -0.023 0.000 0.961 681 D HN 0.435 nan 8.370 nan 0.000 0.447 682 V N 0.268 120.175 119.914 -0.011 0.000 3.284 682 V HA -0.194 3.926 4.120 -0.000 0.000 0.273 682 V C 1.643 177.726 176.094 -0.018 0.000 1.178 682 V CA 1.027 63.313 62.300 -0.023 0.000 1.177 682 V CB -0.694 31.107 31.823 -0.037 0.000 0.793 682 V HN 0.123 nan 8.190 nan 0.000 0.536 683 F N -0.608 119.275 119.950 -0.111 0.000 2.419 683 F HA 0.199 4.726 4.527 -0.000 0.000 0.283 683 F C 1.848 177.576 175.800 -0.120 0.000 1.044 683 F CA 0.719 58.648 58.000 -0.118 0.000 1.376 683 F CB 0.261 39.167 39.000 -0.156 0.000 1.131 683 F HN -0.033 nan 8.300 nan 0.000 0.585 684 L N 0.180 121.488 121.223 0.142 0.000 2.456 684 L HA 0.090 4.429 4.340 -0.000 0.000 0.224 684 L C 1.770 178.629 176.870 -0.018 0.000 1.148 684 L CA 0.945 55.813 54.840 0.047 0.000 0.825 684 L CB -1.122 40.928 42.059 -0.015 0.000 0.937 684 L HN 0.498 nan 8.230 nan 0.000 0.450 685 G N 1.059 109.835 108.800 -0.040 0.000 2.155 685 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 685 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 685 G C 0.217 175.097 174.900 -0.033 0.000 0.983 685 G CA 0.873 45.943 45.100 -0.050 0.000 0.676 685 G HN 0.551 nan 8.290 nan 0.000 0.528 686 K N -1.017 119.368 120.400 -0.025 0.000 2.477 686 K HA 0.670 4.990 4.320 -0.000 0.000 0.255 686 K C -0.623 175.966 176.600 -0.019 0.000 0.952 686 K CA -1.097 55.178 56.287 -0.020 0.000 0.826 686 K CB 1.457 33.946 32.500 -0.018 0.000 1.331 686 K HN 0.070 nan 8.250 nan 0.000 0.437 687 Q N 2.299 122.090 119.800 -0.013 0.000 2.509 687 Q HA 0.124 4.464 4.340 -0.000 0.000 0.230 687 Q C -0.823 175.173 176.000 -0.007 0.000 1.089 687 Q CA -0.373 55.424 55.803 -0.010 0.000 0.901 687 Q CB 1.103 29.838 28.738 -0.005 0.000 1.208 687 Q HN 0.531 nan 8.270 nan 0.000 0.529 688 E N 0.574 120.768 120.200 -0.010 0.000 2.435 688 E HA 0.123 4.473 4.350 -0.000 0.000 0.254 688 E C 0.279 176.883 176.600 0.006 0.000 1.289 688 E CA -0.587 55.811 56.400 -0.003 0.000 0.983 688 E CB 0.440 30.137 29.700 -0.006 0.000 1.010 688 E HN 0.362 nan 8.360 nan 0.000 0.509 689 V N -0.611 119.311 119.914 0.012 0.000 2.617 689 V HA -0.005 4.115 4.120 -0.000 0.000 0.304 689 V C 0.526 176.632 176.094 0.020 0.000 1.040 689 V CA -0.362 61.948 62.300 0.016 0.000 1.149 689 V CB -0.226 31.609 31.823 0.020 0.000 0.914 689 V HN 0.769 nan 8.190 nan 0.000 0.487 690 T N 3.488 118.049 114.554 0.013 0.000 2.906 690 T HA 0.161 4.511 4.350 -0.000 0.000 0.320 690 T C 1.200 175.903 174.700 0.005 0.000 1.088 690 T CA -0.072 62.035 62.100 0.011 0.000 1.120 690 T CB 0.457 69.326 68.868 0.001 0.000 1.000 690 T HN 0.539 nan 8.240 nan 0.000 0.550 691 I N 2.571 123.144 120.570 0.005 0.000 2.118 691 I HA -0.131 4.039 4.170 -0.000 0.000 0.241 691 I C 2.897 178.916 176.117 -0.164 0.000 1.070 691 I CA 2.118 63.381 61.300 -0.062 0.000 1.327 691 I CB -2.250 35.734 38.000 -0.028 0.000 1.034 691 I HN 0.975 nan 8.210 nan 0.000 0.405 692 G N 0.080 108.821 108.800 -0.100 0.000 2.505 692 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.220 692 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.220 692 G C 1.876 176.735 174.900 -0.069 0.000 1.145 692 G CA 1.424 46.470 45.100 -0.090 0.000 0.761 692 G HN 0.453 nan 8.290 nan 0.000 0.571 693 S N 0.329 116.005 115.700 -0.040 0.000 2.399 693 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 693 S C 2.285 176.880 174.600 -0.009 0.000 1.022 693 S CA 1.596 59.787 58.200 -0.015 0.000 0.983 693 S CB -0.339 62.861 63.200 -0.001 0.000 0.803 693 S HN 0.433 nan 8.310 nan 0.000 0.480 694 N N 0.732 119.416 118.700 -0.027 0.000 2.207 694 N HA 0.005 4.744 4.740 -0.000 0.000 0.182 694 N C 1.800 177.302 175.510 -0.014 0.000 1.020 694 N CA 1.238 54.292 53.050 0.007 0.000 0.858 694 N CB -0.554 37.981 38.487 0.080 0.000 0.991 694 N HN 0.258 nan 8.380 nan 0.000 0.427 695 V N 1.426 121.257 119.914 -0.139 0.000 2.343 695 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 695 V C 2.153 178.275 176.094 0.046 0.000 1.051 695 V CA 1.474 63.725 62.300 -0.081 0.000 1.036 695 V CB -0.628 31.100 31.823 -0.159 0.000 0.654 695 V HN 0.262 nan 8.190 nan 0.000 0.451 696 S N -0.569 115.145 115.700 0.025 0.000 2.419 696 S HA -0.219 4.251 4.470 -0.000 0.000 0.235 696 S C 1.921 176.611 174.600 0.150 0.000 1.019 696 S CA 1.366 59.621 58.200 0.092 0.000 0.982 696 S CB -0.256 62.967 63.200 0.038 0.000 0.789 696 S HN 0.615 nan 8.310 nan 0.000 0.490 697 K N 0.765 121.218 120.400 0.088 0.000 2.062 697 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 697 K C 1.977 178.623 176.600 0.078 0.000 1.051 697 K CA 0.914 57.242 56.287 0.068 0.000 0.941 697 K CB -0.290 32.228 32.500 0.030 0.000 0.719 697 K HN 0.363 nan 8.250 nan 0.000 0.440 698 I N 0.340 120.971 120.570 0.101 0.000 2.252 698 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 698 I C 2.457 178.658 176.117 0.140 0.000 1.102 698 I CA 1.159 62.529 61.300 0.117 0.000 1.385 698 I CB -0.353 37.735 38.000 0.147 0.000 1.064 698 I HN 0.111 nan 8.210 nan 0.000 0.414 699 Y N 2.214 122.540 120.300 0.042 0.000 2.128 699 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 699 Y C 2.379 178.297 175.900 0.030 0.000 1.154 699 Y CA 1.839 59.955 58.100 0.027 0.000 1.149 699 Y CB -0.312 38.147 38.460 -0.001 0.000 0.976 699 Y HN 0.193 nan 8.280 nan 0.000 0.505 700 E N -0.093 120.076 120.200 -0.050 0.000 2.204 700 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 700 E C 2.269 178.815 176.600 -0.091 0.000 0.989 700 E CA 0.737 57.060 56.400 -0.130 0.000 0.824 700 E CB -0.265 29.450 29.700 0.025 0.000 0.756 700 E HN 0.589 nan 8.360 nan 0.000 0.477 701 A N 0.974 123.793 122.820 -0.002 0.000 2.014 701 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 701 A C 2.074 179.677 177.584 0.033 0.000 1.163 701 A CA 0.706 52.792 52.037 0.082 0.000 0.652 701 A CB -0.308 18.823 19.000 0.218 0.000 0.808 701 A HN 0.108 nan 8.150 nan 0.000 0.449 702 I N -0.741 119.800 120.570 -0.047 0.000 2.206 702 I HA -0.148 4.022 4.170 -0.000 0.000 0.239 702 I C 2.101 178.142 176.117 -0.128 0.000 1.078 702 I CA 0.917 62.173 61.300 -0.072 0.000 1.367 702 I CB -0.226 37.724 38.000 -0.085 0.000 1.078 702 I HN 0.089 nan 8.210 nan 0.000 0.413 703 K N 0.943 121.179 120.400 -0.273 0.000 2.209 703 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 703 K C 2.177 178.706 176.600 -0.119 0.000 1.048 703 K CA 1.655 57.798 56.287 -0.240 0.000 0.940 703 K CB -0.481 31.771 32.500 -0.413 0.000 0.729 703 K HN 0.432 nan 8.250 nan 0.000 0.451 704 S N -0.883 114.764 115.700 -0.090 0.000 2.470 704 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 704 S C 1.543 176.140 174.600 -0.006 0.000 1.006 704 S CA 0.969 59.148 58.200 -0.034 0.000 0.934 704 S CB 0.101 63.294 63.200 -0.011 0.000 0.778 704 S HN 0.395 nan 8.310 nan 0.000 0.517 705 G N 1.642 110.439 108.800 -0.004 0.000 2.175 705 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 705 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 705 G C 0.847 175.745 174.900 -0.004 0.000 0.982 705 G CA 0.401 45.510 45.100 0.014 0.000 0.641 705 G HN 0.552 nan 8.290 nan 0.000 0.527 706 R N 0.226 120.732 120.500 0.010 0.000 2.127 706 R HA 0.117 4.457 4.340 -0.000 0.000 0.238 706 R C 2.464 178.690 176.300 -0.123 0.000 1.134 706 R CA 1.718 57.824 56.100 0.010 0.000 0.975 706 R CB -0.283 30.094 30.300 0.128 0.000 0.865 706 R HN 0.582 nan 8.270 nan 0.000 0.447 707 I N 1.155 121.655 120.570 -0.117 0.000 2.546 707 I HA -0.251 3.919 4.170 -0.000 0.000 0.255 707 I C 0.956 176.933 176.117 -0.233 0.000 1.163 707 I CA 0.877 62.013 61.300 -0.275 0.000 1.457 707 I CB -0.142 37.815 38.000 -0.073 0.000 1.092 707 I HN 0.280 nan 8.210 nan 0.000 0.434 708 N N 1.410 120.031 118.700 -0.131 0.000 2.060 708 N HA -0.265 4.475 4.740 -0.000 0.000 0.195 708 N C 1.391 176.829 175.510 -0.121 0.000 1.028 708 N CA 1.998 54.986 53.050 -0.104 0.000 0.861 708 N CB -0.948 37.507 38.487 -0.053 0.000 1.029 708 N HN 0.533 nan 8.380 nan 0.000 0.428 709 N N 0.169 118.789 118.700 -0.134 0.000 2.188 709 N HA -0.103 4.636 4.740 -0.000 0.000 0.184 709 N C 1.815 177.233 175.510 -0.152 0.000 1.018 709 N CA 0.887 53.865 53.050 -0.120 0.000 0.858 709 N CB 0.027 38.453 38.487 -0.100 0.000 0.989 709 N HN 0.096 nan 8.380 nan 0.000 0.426 710 V N 0.623 120.387 119.914 -0.251 0.000 2.626 710 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 710 V C 1.629 177.629 176.094 -0.157 0.000 1.067 710 V CA 1.266 63.419 62.300 -0.246 0.000 1.081 710 V CB -0.393 31.154 31.823 -0.459 0.000 0.686 710 V HN 0.258 nan 8.190 nan 0.000 0.468 711 L N -0.636 120.498 121.223 -0.148 0.000 2.005 711 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 711 L C 2.557 179.380 176.870 -0.079 0.000 1.072 711 L CA 1.918 56.701 54.840 -0.096 0.000 0.744 711 L CB -0.709 41.298 42.059 -0.086 0.000 0.895 711 L HN 0.455 nan 8.230 nan 0.000 0.433 712 L N 0.365 121.538 121.223 -0.083 0.000 2.127 712 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 712 L C 1.632 178.467 176.870 -0.059 0.000 1.089 712 L CA 1.641 56.439 54.840 -0.070 0.000 0.757 712 L CB -0.517 41.501 42.059 -0.069 0.000 0.899 712 L HN 0.081 nan 8.230 nan 0.000 0.434 716 A N 0.000 122.797 122.820 -0.038 0.000 2.254 716 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 716 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 716 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486