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 1c2o_1_A DATA FIRST_RESID 5 DATA SEQUENCE DPQLLVRVRG GQLRGIRLKA PGGPVSAFLG IPFAEPPVGS RRFMPPEPKR DATA SEQUENCE PWSGVLDATT FQNVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPASPTPV LIWIYGGGFY SGAASLDVYD GRFLAQVEGA VLVSMNYRVG DATA SEQUENCE TFGFLALPGS REAPGNVGLL DQRLALQWVQ ENIAAFGGDP MSVTLFGESA DATA SEQUENCE GAASVGMHIL SLPSRSLFHR AVLQSGTPNG PWATVSAGEA RRRATLLARL DATA SEQUENCE VGcPPGGAGG NDTELIAcLR TRPAQDLVDH EWHVLPQESI FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINTGDFQDL QVLVGVVKDE GSYFLVYGVP GFSKDNESLI DATA SEQUENCE SRAQFLAGVR IGVPQASDLA AEAVVLHYTD WLHPEDPTHL RDAMSAVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYIFEHRA STLTWPLWMG VPHGYEIEFI DATA SEQUENCE FGLPLDPSLN YTTEERIFAQ RLMKYWTNFA RTGDPNDPRD SKSPQWPPYT DATA SEQUENCE TAAQQYVSLN LKPLEVRRGL RAQTcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.351 176.300 0.085 0.000 2.045 5 D CA 0.000 54.044 54.000 0.074 0.000 0.868 5 D CB 0.000 40.856 40.800 0.094 0.000 0.688 6 P HA -0.089 nan 4.420 nan 0.000 0.226 6 P C 1.114 178.481 177.300 0.111 0.000 1.153 6 P CA 0.609 63.751 63.100 0.071 0.000 0.777 6 P CB 0.618 32.342 31.700 0.039 0.000 0.794 7 Q N 0.232 120.129 119.800 0.161 0.000 2.050 7 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 7 Q C 2.136 178.327 176.000 0.318 0.000 0.980 7 Q CA 1.161 57.116 55.803 0.254 0.000 0.840 7 Q CB -0.682 28.318 28.738 0.436 0.000 0.898 7 Q HN 0.398 nan 8.270 nan 0.000 0.424 8 L N 0.298 121.646 121.223 0.209 0.000 2.612 8 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 8 L C 0.393 177.371 176.870 0.181 0.000 1.140 8 L CA -0.107 54.790 54.840 0.094 0.000 0.896 8 L CB 0.067 42.078 42.059 -0.081 0.000 1.065 8 L HN 0.058 nan 8.230 nan 0.000 0.447 9 L N 1.581 122.932 121.223 0.214 0.000 2.316 9 L HA 0.529 4.869 4.340 -0.000 0.000 0.280 9 L C -0.634 176.327 176.870 0.152 0.000 1.006 9 L CA -0.172 54.775 54.840 0.179 0.000 0.836 9 L CB 1.809 43.926 42.059 0.096 0.000 1.221 9 L HN -0.246 nan 8.230 nan 0.000 0.418 10 V N 4.453 124.468 119.914 0.168 0.000 2.789 10 V HA 0.533 4.653 4.120 -0.000 0.000 0.311 10 V C -0.174 175.901 176.094 -0.030 0.000 1.073 10 V CA -1.033 61.225 62.300 -0.070 0.000 0.921 10 V CB 2.499 34.027 31.823 -0.492 0.000 1.009 10 V HN 0.744 nan 8.190 nan 0.000 0.426 11 R N 3.190 123.636 120.500 -0.090 0.000 2.265 11 R HA 0.709 5.049 4.340 -0.000 0.000 0.319 11 R C -1.210 175.038 176.300 -0.086 0.000 1.006 11 R CA -0.047 56.018 56.100 -0.058 0.000 0.880 11 R CB 1.343 31.599 30.300 -0.073 0.000 1.077 11 R HN 0.493 nan 8.270 nan 0.000 0.454 12 V N 5.158 125.063 119.914 -0.015 0.000 3.093 12 V HA 0.347 4.467 4.120 -0.000 0.000 0.320 12 V C 1.490 177.530 176.094 -0.090 0.000 1.093 12 V CA -0.870 61.436 62.300 0.010 0.000 1.016 12 V CB 1.704 33.709 31.823 0.303 0.000 1.096 12 V HN 0.927 nan 8.190 nan 0.000 0.452 13 R N 1.137 121.575 120.500 -0.104 0.000 2.261 13 R HA -0.118 4.221 4.340 -0.000 0.000 0.236 13 R C 1.350 177.570 176.300 -0.132 0.000 1.141 13 R CA 1.643 57.676 56.100 -0.111 0.000 1.001 13 R CB -0.214 30.026 30.300 -0.101 0.000 0.866 13 R HN 0.898 nan 8.270 nan 0.000 0.468 14 G N -1.694 106.975 108.800 -0.217 0.000 3.596 14 G HA2 0.455 4.415 3.960 -0.000 0.000 0.274 14 G HA3 0.455 4.415 3.960 -0.000 0.000 0.274 14 G C -0.154 174.004 174.900 -1.238 0.000 1.007 14 G CA 0.218 45.044 45.100 -0.457 0.000 0.825 14 G HN 0.533 nan 8.290 nan 0.000 0.508 15 G N -0.702 107.493 108.800 -1.008 0.000 2.368 15 G HA2 0.249 4.209 3.960 -0.000 0.000 0.302 15 G HA3 0.249 4.209 3.960 -0.000 0.000 0.302 15 G C -1.371 173.315 174.900 -0.357 0.000 1.329 15 G CA -0.949 43.439 45.100 -1.187 0.000 0.935 15 G HN 0.198 nan 8.290 nan 0.000 0.590 16 Q N -0.719 119.069 119.800 -0.021 0.000 2.227 16 Q HA 0.739 5.079 4.340 -0.000 0.000 0.245 16 Q C -0.542 175.756 176.000 0.496 0.000 0.926 16 Q CA -0.365 55.573 55.803 0.225 0.000 0.895 16 Q CB 1.952 30.772 28.738 0.137 0.000 1.230 16 Q HN 0.461 nan 8.270 nan 0.000 0.450 17 L N 1.199 122.650 121.223 0.379 0.000 2.393 17 L HA 0.601 4.940 4.340 -0.000 0.000 0.260 17 L C -0.641 176.418 176.870 0.315 0.000 1.002 17 L CA -0.884 54.196 54.840 0.399 0.000 0.818 17 L CB 2.399 44.783 42.059 0.541 0.000 1.369 17 L HN 0.518 nan 8.230 nan 0.000 0.412 18 R N 0.901 121.516 120.500 0.192 0.000 2.409 18 R HA 0.681 5.021 4.340 -0.000 0.000 0.313 18 R C -0.174 176.040 176.300 -0.144 0.000 0.953 18 R CA -0.363 55.774 56.100 0.061 0.000 0.849 18 R CB 1.545 31.850 30.300 0.009 0.000 1.171 18 R HN 0.727 nan 8.270 nan 0.000 0.458 19 G N 3.333 111.831 108.800 -0.503 0.000 2.508 19 G HA2 0.376 4.335 3.960 -0.000 0.000 0.278 19 G HA3 0.376 4.335 3.960 -0.000 0.000 0.278 19 G C -0.677 173.876 174.900 -0.578 0.000 1.389 19 G CA -0.630 43.815 45.100 -1.091 0.000 1.050 19 G HN 0.706 nan 8.290 nan 0.000 0.522 20 I N -1.898 118.337 120.570 -0.559 0.000 2.802 20 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 20 I C -0.560 175.345 176.117 -0.354 0.000 1.176 20 I CA -1.169 59.910 61.300 -0.370 0.000 1.025 20 I CB 2.344 40.158 38.000 -0.310 0.000 1.243 20 I HN 0.413 nan 8.210 nan 0.000 0.424 21 R N 6.006 126.317 120.500 -0.314 0.000 2.204 21 R HA 0.485 4.825 4.340 -0.000 0.000 0.341 21 R C -1.583 174.567 176.300 -0.249 0.000 1.035 21 R CA -0.664 55.228 56.100 -0.346 0.000 0.887 21 R CB 0.676 30.674 30.300 -0.504 0.000 1.114 21 R HN 0.540 nan 8.270 nan 0.000 0.473 22 L N 3.584 124.692 121.223 -0.192 0.000 2.379 22 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 22 L C 0.094 176.907 176.870 -0.095 0.000 1.084 22 L CA 0.097 54.859 54.840 -0.129 0.000 0.802 22 L CB 1.256 43.263 42.059 -0.087 0.000 1.175 22 L HN 0.401 nan 8.230 nan 0.000 0.448 23 K N 1.976 122.330 120.400 -0.077 0.000 2.389 23 K HA 0.662 4.982 4.320 -0.000 0.000 0.261 23 K C -0.677 175.898 176.600 -0.041 0.000 1.014 23 K CA -0.390 55.869 56.287 -0.047 0.000 0.920 23 K CB 1.310 33.789 32.500 -0.035 0.000 1.149 23 K HN 0.723 nan 8.250 nan 0.000 0.444 24 A N 4.042 126.837 122.820 -0.041 0.000 2.286 24 A HA 0.375 4.694 4.320 -0.000 0.000 0.286 24 A C -1.723 175.895 177.584 0.056 0.000 1.097 24 A CA -1.453 50.556 52.037 -0.047 0.000 0.821 24 A CB 0.202 19.149 19.000 -0.089 0.000 1.076 24 A HN 0.464 nan 8.150 nan 0.000 0.490 25 P HA -0.167 nan 4.420 nan 0.000 0.216 25 P C 1.300 178.657 177.300 0.095 0.000 1.154 25 P CA 2.162 65.336 63.100 0.124 0.000 0.865 25 P CB 0.127 31.929 31.700 0.168 0.000 0.789 26 G N -2.241 106.621 108.800 0.103 0.000 3.088 26 G HA2 0.432 4.391 3.960 -0.000 0.000 0.212 26 G HA3 0.432 4.391 3.960 -0.000 0.000 0.212 26 G C 0.556 175.500 174.900 0.072 0.000 1.173 26 G CA 0.455 45.604 45.100 0.081 0.000 0.779 26 G HN 0.633 nan 8.290 nan 0.000 0.540 27 G N -0.393 108.449 108.800 0.069 0.000 2.357 27 G HA2 0.283 4.243 3.960 -0.000 0.000 0.289 27 G HA3 0.283 4.243 3.960 -0.000 0.000 0.289 27 G C -3.379 171.564 174.900 0.072 0.000 1.302 27 G CA -0.592 44.553 45.100 0.074 0.000 0.936 27 G HN 0.090 nan 8.290 nan 0.000 0.513 28 P HA 0.607 nan 4.420 nan 0.000 0.281 28 P C -0.592 176.801 177.300 0.155 0.000 1.249 28 P CA -0.405 62.759 63.100 0.107 0.000 0.810 28 P CB 1.848 33.672 31.700 0.208 0.000 1.008 29 V N 0.334 120.296 119.914 0.080 0.000 2.760 29 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 29 V C 0.251 176.396 176.094 0.085 0.000 1.077 29 V CA -0.725 61.660 62.300 0.141 0.000 0.910 29 V CB 1.779 33.689 31.823 0.144 0.000 1.008 29 V HN 0.465 nan 8.190 nan 0.000 0.424 30 S N 2.188 118.017 115.700 0.215 0.000 2.562 30 S HA 0.789 5.259 4.470 -0.000 0.000 0.275 30 S C 0.098 174.787 174.600 0.149 0.000 1.281 30 S CA -0.052 58.257 58.200 0.182 0.000 1.045 30 S CB 1.276 64.754 63.200 0.463 0.000 0.962 30 S HN 1.298 nan 8.310 nan 0.000 0.503 31 A N 2.864 125.602 122.820 -0.137 0.000 2.414 31 A HA 0.696 5.016 4.320 -0.000 0.000 0.286 31 A C -1.308 176.018 177.584 -0.429 0.000 1.073 31 A CA -0.567 51.298 52.037 -0.287 0.000 0.727 31 A CB 0.439 19.146 19.000 -0.487 0.000 1.215 31 A HN 0.657 nan 8.150 nan 0.000 0.430 32 F N 3.190 123.002 119.950 -0.229 0.000 2.334 32 F HA 0.392 4.919 4.527 -0.000 0.000 0.343 32 F C -0.292 175.373 175.800 -0.224 0.000 1.136 32 F CA -0.771 57.167 58.000 -0.104 0.000 1.237 32 F CB 0.969 40.079 39.000 0.183 0.000 1.525 32 F HN 0.310 nan 8.300 nan 0.000 0.528 33 L N 1.789 122.864 121.223 -0.247 0.000 2.319 33 L HA 0.541 4.881 4.340 -0.000 0.000 0.280 33 L C 1.085 177.877 176.870 -0.130 0.000 1.099 33 L CA -0.169 54.508 54.840 -0.270 0.000 0.828 33 L CB 0.545 42.277 42.059 -0.545 0.000 1.150 33 L HN 0.754 nan 8.230 nan 0.000 0.442 34 G N 3.473 112.252 108.800 -0.036 0.000 2.131 34 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.201 34 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.201 34 G C 0.140 174.895 174.900 -0.243 0.000 1.000 34 G CA -0.377 44.634 45.100 -0.149 0.000 0.680 34 G HN 0.483 nan 8.290 nan 0.000 0.514 35 I N 2.681 123.200 120.570 -0.085 0.000 2.494 35 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 35 I C -1.505 174.594 176.117 -0.030 0.000 1.106 35 I CA -1.901 59.341 61.300 -0.098 0.000 1.369 35 I CB 0.544 38.518 38.000 -0.043 0.000 1.410 35 I HN -0.088 nan 8.210 nan 0.000 0.523 36 P HA -0.100 nan 4.420 nan 0.000 0.262 36 P C -0.007 177.367 177.300 0.123 0.000 1.182 36 P CA 0.395 63.593 63.100 0.163 0.000 0.761 36 P CB 0.193 31.867 31.700 -0.044 0.000 0.795 37 F N 1.478 121.426 119.950 -0.004 0.000 2.746 37 F HA 0.693 5.219 4.527 -0.000 0.000 0.313 37 F C 0.285 176.121 175.800 0.061 0.000 1.095 37 F CA -0.496 57.437 58.000 -0.112 0.000 1.224 37 F CB 0.217 39.027 39.000 -0.317 0.000 1.060 37 F HN 0.338 nan 8.300 nan 0.000 0.584 38 A N 0.112 122.766 122.820 -0.276 0.000 2.609 38 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 38 A C -1.039 176.457 177.584 -0.147 0.000 1.096 38 A CA -0.798 51.132 52.037 -0.179 0.000 0.684 38 A CB 0.891 19.675 19.000 -0.359 0.000 1.282 38 A HN 0.045 nan 8.150 nan 0.000 0.412 39 E N 1.509 121.672 120.200 -0.062 0.000 2.366 39 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 39 E C -2.297 174.231 176.600 -0.120 0.000 1.015 39 E CA -1.319 55.052 56.400 -0.049 0.000 0.906 39 E CB 0.078 29.772 29.700 -0.010 0.000 0.979 39 E HN 0.228 nan 8.360 nan 0.000 0.443 40 P HA -0.064 nan 4.420 nan 0.000 0.259 40 P C -2.144 175.067 177.300 -0.147 0.000 1.163 40 P CA -0.475 62.523 63.100 -0.171 0.000 0.760 40 P CB 0.005 31.634 31.700 -0.118 0.000 0.762 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.123 177.080 177.300 -0.162 0.000 1.793 41 P CA -0.034 62.977 63.100 -0.148 0.000 0.917 41 P CB -0.048 31.561 31.700 -0.153 0.000 1.755 42 V N -3.497 116.329 119.914 -0.148 0.000 3.234 42 V HA 0.840 4.960 4.120 -0.000 0.000 0.317 42 V C 1.223 177.239 176.094 -0.129 0.000 1.081 42 V CA 0.318 62.526 62.300 -0.153 0.000 1.037 42 V CB 0.338 32.078 31.823 -0.138 0.000 1.148 42 V HN 0.471 nan 8.190 nan 0.000 0.453 43 G N 1.987 110.709 108.800 -0.130 0.000 2.634 43 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.318 43 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.318 43 G C 1.128 175.967 174.900 -0.102 0.000 1.207 43 G CA 1.762 46.801 45.100 -0.102 0.000 0.987 43 G HN 2.338 nan 8.290 nan 0.000 0.547 44 S N 0.299 115.956 115.700 -0.070 0.000 2.631 44 S HA 0.295 4.765 4.470 -0.000 0.000 0.217 44 S C 1.859 176.426 174.600 -0.056 0.000 0.958 44 S CA 1.236 59.406 58.200 -0.051 0.000 0.920 44 S CB 0.451 63.636 63.200 -0.026 0.000 0.776 44 S HN 0.497 nan 8.310 nan 0.000 0.517 45 R N 1.591 122.040 120.500 -0.086 0.000 2.265 45 R HA 0.338 4.678 4.340 -0.000 0.000 0.194 45 R C 0.789 177.007 176.300 -0.138 0.000 0.931 45 R CA -0.244 55.805 56.100 -0.084 0.000 1.032 45 R CB -0.627 29.624 30.300 -0.081 0.000 0.980 45 R HN 0.482 nan 8.270 nan 0.000 0.497 46 R N 0.626 120.981 120.500 -0.242 0.000 2.583 46 R HA -0.129 4.211 4.340 -0.000 0.000 0.274 46 R C -0.321 175.677 176.300 -0.503 0.000 0.998 46 R CA 0.653 56.464 56.100 -0.482 0.000 1.081 46 R CB 0.038 29.887 30.300 -0.751 0.000 0.940 46 R HN 0.158 nan 8.270 nan 0.000 0.413 47 F N -0.846 119.100 119.950 -0.007 0.000 2.656 47 F HA -0.260 4.267 4.527 -0.000 0.000 0.381 47 F C -0.180 175.599 175.800 -0.036 0.000 0.603 47 F CA 0.298 58.275 58.000 -0.037 0.000 1.335 47 F CB -1.524 37.447 39.000 -0.048 0.000 1.836 47 F HN 0.424 nan 8.300 nan 0.000 0.290 48 M N 1.740 121.379 119.600 0.066 0.000 2.409 48 M HA 0.441 4.921 4.480 -0.000 0.000 0.329 48 M C -1.932 174.381 176.300 0.022 0.000 1.180 48 M CA -2.362 52.964 55.300 0.044 0.000 1.053 48 M CB 0.515 33.124 32.600 0.016 0.000 1.586 48 M HN -0.315 nan 8.290 nan 0.000 0.461 49 P HA 0.131 nan 4.420 nan 0.000 0.267 49 P C -2.565 174.754 177.300 0.031 0.000 1.200 49 P CA -0.650 62.473 63.100 0.039 0.000 0.772 49 P CB -0.823 30.913 31.700 0.059 0.000 0.855 50 P HA 0.244 nan 4.420 nan 0.000 0.274 50 P C -0.497 176.831 177.300 0.047 0.000 1.237 50 P CA 0.074 63.188 63.100 0.024 0.000 0.793 50 P CB 1.001 32.730 31.700 0.048 0.000 0.977 51 E N 1.153 121.368 120.200 0.026 0.000 2.238 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.267 51 E C -2.393 174.250 176.600 0.072 0.000 0.887 51 E CA -2.669 53.763 56.400 0.053 0.000 0.769 51 E CB 1.509 31.232 29.700 0.038 0.000 1.187 51 E HN 0.323 nan 8.360 nan 0.000 0.416 52 P HA -0.044 nan 4.420 nan 0.000 0.267 52 P C -0.618 176.777 177.300 0.158 0.000 1.209 52 P CA -0.249 62.952 63.100 0.169 0.000 0.763 52 P CB 0.340 32.147 31.700 0.178 0.000 0.816 53 K N 4.530 125.044 120.400 0.191 0.000 2.511 53 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 53 K C 0.260 177.013 176.600 0.254 0.000 1.008 53 K CA 0.513 56.922 56.287 0.204 0.000 1.050 53 K CB -0.049 32.611 32.500 0.267 0.000 0.889 53 K HN 0.358 nan 8.250 nan 0.000 0.484 54 R N 4.078 124.708 120.500 0.216 0.000 2.679 54 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 54 R C -1.883 174.602 176.300 0.309 0.000 1.076 54 R CA -1.391 54.832 56.100 0.205 0.000 1.160 54 R CB 0.131 30.519 30.300 0.147 0.000 1.054 54 R HN 0.503 nan 8.270 nan 0.000 0.507 55 P HA 0.043 nan 4.420 nan 0.000 0.275 55 P C -1.367 176.045 177.300 0.186 0.000 1.227 55 P CA -0.274 62.877 63.100 0.085 0.000 0.781 55 P CB 0.321 31.982 31.700 -0.065 0.000 0.906 56 W N 1.599 122.939 121.300 0.068 0.000 2.647 56 W HA 0.695 5.354 4.660 -0.000 0.000 0.353 56 W C -0.017 176.528 176.519 0.043 0.000 1.080 56 W CA -0.983 56.393 57.345 0.052 0.000 1.208 56 W CB 0.195 29.687 29.460 0.054 0.000 1.396 56 W HN 0.427 nan 8.180 nan 0.000 0.573 57 S N 1.772 117.611 115.700 0.231 0.000 2.655 57 S HA 0.725 5.195 4.470 -0.000 0.000 0.265 57 S C 0.825 175.551 174.600 0.209 0.000 1.240 57 S CA 0.257 58.529 58.200 0.121 0.000 0.986 57 S CB 0.473 63.733 63.200 0.100 0.000 0.985 57 S HN 2.043 nan 8.310 nan 0.000 0.562 58 G N -0.106 108.768 108.800 0.123 0.000 2.591 58 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G C -0.435 174.590 174.900 0.209 0.000 1.293 58 G CA -0.056 45.125 45.100 0.134 0.000 0.930 58 G HN 1.630 nan 8.290 nan 0.000 0.562 59 V N 1.178 121.203 119.914 0.184 0.000 2.311 59 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 59 V C 0.484 176.698 176.094 0.200 0.000 1.022 59 V CA -0.663 61.763 62.300 0.211 0.000 0.830 59 V CB 1.142 33.040 31.823 0.125 0.000 1.012 59 V HN 0.797 nan 8.190 nan 0.000 0.452 60 L N 5.843 127.253 121.223 0.312 0.000 2.513 60 L HA 0.214 4.553 4.340 -0.000 0.000 0.272 60 L C 0.453 177.325 176.870 0.003 0.000 1.187 60 L CA 0.468 55.315 54.840 0.012 0.000 0.895 60 L CB 0.391 42.270 42.059 -0.301 0.000 1.147 60 L HN 0.689 nan 8.230 nan 0.000 0.483 61 D N 4.421 124.779 120.400 -0.070 0.000 2.389 61 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 61 D C -0.403 175.832 176.300 -0.109 0.000 1.128 61 D CA 0.326 54.282 54.000 -0.073 0.000 0.884 61 D CB 1.455 42.201 40.800 -0.090 0.000 1.194 61 D HN 0.702 nan 8.370 nan 0.000 0.441 62 A N 2.634 125.397 122.820 -0.095 0.000 2.676 62 A HA 0.123 4.443 4.320 -0.000 0.000 0.258 62 A C 0.826 178.294 177.584 -0.193 0.000 0.898 62 A CA -0.044 51.928 52.037 -0.108 0.000 1.087 62 A CB -0.312 18.715 19.000 0.044 0.000 1.214 62 A HN 0.563 nan 8.150 nan 0.000 0.474 63 T N -3.224 111.206 114.554 -0.206 0.000 3.107 63 T HA 0.322 4.672 4.350 -0.000 0.000 0.249 63 T C 0.556 175.094 174.700 -0.271 0.000 1.096 63 T CA 0.831 62.778 62.100 -0.255 0.000 1.012 63 T CB -0.023 68.723 68.868 -0.203 0.000 0.977 63 T HN 0.393 nan 8.240 nan 0.000 0.527 64 T N 0.116 114.523 114.554 -0.246 0.000 2.868 64 T HA 0.547 4.896 4.350 -0.000 0.000 0.306 64 T C -1.843 172.770 174.700 -0.145 0.000 1.224 64 T CA -0.789 61.175 62.100 -0.227 0.000 1.012 64 T CB 0.868 69.657 68.868 -0.133 0.000 1.221 64 T HN 0.027 nan 8.240 nan 0.000 0.499 65 F N 3.341 123.227 119.950 -0.106 0.000 2.504 65 F HA 0.381 4.907 4.527 -0.000 0.000 0.369 65 F C 1.259 177.030 175.800 -0.048 0.000 1.082 65 F CA -0.440 57.518 58.000 -0.069 0.000 1.216 65 F CB 0.758 39.730 39.000 -0.046 0.000 1.108 65 F HN 0.439 nan 8.300 nan 0.000 0.554 66 Q N 2.165 122.103 119.800 0.230 0.000 2.397 66 Q HA 0.143 4.483 4.340 -0.000 0.000 0.193 66 Q C -0.070 176.011 176.000 0.136 0.000 1.083 66 Q CA -0.433 55.472 55.803 0.169 0.000 1.108 66 Q CB 0.459 29.398 28.738 0.336 0.000 1.172 66 Q HN 0.480 nan 8.270 nan 0.000 0.617 67 N N -0.039 118.742 118.700 0.136 0.000 2.492 67 N HA 0.037 4.777 4.740 -0.000 0.000 0.262 67 N C -0.500 175.002 175.510 -0.013 0.000 1.202 67 N CA 0.028 53.102 53.050 0.041 0.000 0.926 67 N CB 0.535 39.040 38.487 0.030 0.000 1.078 67 N HN 0.185 nan 8.380 nan 0.000 0.454 68 V N 2.423 122.294 119.914 -0.071 0.000 2.655 68 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 68 V C 0.993 177.015 176.094 -0.120 0.000 1.044 68 V CA -0.531 61.697 62.300 -0.121 0.000 1.095 68 V CB 0.297 32.025 31.823 -0.158 0.000 0.952 68 V HN 0.725 nan 8.190 nan 0.000 0.485 69 c N 4.422 122.949 118.600 -0.121 0.000 2.741 69 c HA 0.037 4.607 4.570 -0.000 0.000 0.403 69 c C 0.559 174.565 174.090 -0.140 0.000 1.282 69 c CA -0.552 55.700 56.329 -0.127 0.000 2.053 69 c CB -0.714 41.740 42.510 -0.094 0.000 2.731 69 c HN 0.730 nan 8.230 nan 0.000 0.680 70 Y N 2.935 123.045 120.300 -0.316 0.000 2.677 70 Y HA 0.291 4.841 4.550 -0.000 0.000 0.335 70 Y C 0.685 176.585 175.900 -0.001 0.000 1.162 70 Y CA 0.915 58.828 58.100 -0.311 0.000 1.483 70 Y CB -0.106 37.888 38.460 -0.776 0.000 1.209 70 Y HN 0.725 nan 8.280 nan 0.000 0.528 71 Q N 4.074 123.663 119.800 -0.352 0.000 2.522 71 Q HA 0.263 4.603 4.340 -0.000 0.000 0.285 71 Q C -1.633 174.393 176.000 0.043 0.000 0.982 71 Q CA -1.231 54.589 55.803 0.028 0.000 0.805 71 Q CB 1.299 30.063 28.738 0.045 0.000 1.457 71 Q HN 0.633 nan 8.270 nan 0.000 0.394 72 Y N 1.093 121.494 120.300 0.167 0.000 2.652 72 Y HA 0.326 4.875 4.550 -0.000 0.000 0.344 72 Y C -1.010 174.994 175.900 0.174 0.000 1.254 72 Y CA 0.267 58.493 58.100 0.210 0.000 1.480 72 Y CB 0.829 39.526 38.460 0.395 0.000 1.345 72 Y HN 0.486 nan 8.280 nan 0.000 0.617 73 V N 6.240 125.904 119.914 -0.416 0.000 2.495 73 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 73 V C -0.447 175.503 176.094 -0.241 0.000 1.031 73 V CA -1.143 61.042 62.300 -0.192 0.000 0.871 73 V CB 1.633 33.347 31.823 -0.183 0.000 0.988 73 V HN 0.819 nan 8.190 nan 0.000 0.432 74 D N 3.013 123.520 120.400 0.178 0.000 2.348 74 D HA 0.159 4.799 4.640 -0.000 0.000 0.253 74 D C 0.615 177.004 176.300 0.149 0.000 1.161 74 D CA 0.105 54.301 54.000 0.326 0.000 0.876 74 D CB 1.761 42.842 40.800 0.467 0.000 1.160 74 D HN 0.699 nan 8.370 nan 0.000 0.459 75 T N 2.951 117.575 114.554 0.115 0.000 3.440 75 T HA -0.006 4.344 4.350 -0.000 0.000 0.209 75 T C 1.708 176.419 174.700 0.019 0.000 0.906 75 T CA -0.000 62.123 62.100 0.038 0.000 1.757 75 T CB -0.313 68.554 68.868 -0.002 0.000 1.568 75 T HN 0.451 nan 8.240 nan 0.000 0.454 76 L N 0.152 121.322 121.223 -0.089 0.000 3.431 76 L HA -0.280 4.060 4.340 -0.000 0.000 0.056 76 L C -0.389 176.221 176.870 -0.433 0.000 4.413 76 L CA 2.144 56.767 54.840 -0.362 0.000 0.544 76 L CB -1.417 40.312 42.059 -0.549 0.000 3.531 76 L HN 0.647 nan 8.230 nan 0.000 0.663 77 Y N 1.800 122.093 120.300 -0.012 0.000 2.863 77 Y HA 0.477 5.026 4.550 -0.000 0.000 0.348 77 Y C -2.135 173.802 175.900 0.062 0.000 1.028 77 Y CA -3.148 54.940 58.100 -0.021 0.000 1.213 77 Y CB 0.101 38.493 38.460 -0.112 0.000 1.120 77 Y HN 0.231 nan 8.280 nan 0.000 0.598 78 P HA 0.182 nan 4.420 nan 0.000 0.271 78 P C 0.985 178.341 177.300 0.094 0.000 1.226 78 P CA 0.863 64.021 63.100 0.097 0.000 0.765 78 P CB 1.313 33.041 31.700 0.046 0.000 0.835 79 G N 2.674 111.516 108.800 0.069 0.000 2.176 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G C -0.219 174.714 174.900 0.055 0.000 0.979 79 G CA -0.244 44.877 45.100 0.035 0.000 0.641 79 G HN 0.556 nan 8.290 nan 0.000 0.530 80 F N 2.339 122.247 119.950 -0.070 0.000 2.424 80 F HA 0.553 5.079 4.527 -0.000 0.000 0.356 80 F C 1.333 177.027 175.800 -0.177 0.000 1.110 80 F CA -0.377 57.531 58.000 -0.155 0.000 1.161 80 F CB 0.959 39.838 39.000 -0.202 0.000 1.115 80 F HN 0.205 nan 8.300 nan 0.000 0.507 81 E N 3.965 123.693 120.200 -0.787 0.000 2.097 81 E HA -0.197 4.152 4.350 -0.000 0.000 0.196 81 E C 2.059 178.067 176.600 -0.986 0.000 1.000 81 E CA 1.510 57.459 56.400 -0.752 0.000 0.804 81 E CB -0.288 29.065 29.700 -0.578 0.000 0.740 81 E HN 1.021 nan 8.360 nan 0.000 0.454 82 G N -0.070 107.507 108.800 -2.039 0.000 2.442 82 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 82 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 82 G C 1.646 176.518 174.900 -0.047 0.000 1.141 82 G CA 1.768 46.101 45.100 -1.279 0.000 0.763 82 G HN 0.478 nan 8.290 nan 0.000 0.554 83 T N -1.496 113.054 114.554 -0.007 0.000 3.004 83 T HA 0.123 4.473 4.350 -0.000 0.000 0.243 83 T C 1.971 176.839 174.700 0.280 0.000 1.020 83 T CA 0.865 63.294 62.100 0.548 0.000 1.145 83 T CB -0.049 69.176 68.868 0.594 0.000 0.876 83 T HN 0.111 nan 8.240 nan 0.000 0.449 84 E N 2.618 122.835 120.200 0.028 0.000 2.070 84 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 84 E C 2.294 178.806 176.600 -0.146 0.000 1.004 84 E CA 1.750 58.126 56.400 -0.041 0.000 0.805 84 E CB -0.683 28.955 29.700 -0.103 0.000 0.744 84 E HN 0.794 nan 8.360 nan 0.000 0.451 85 M N -2.023 117.372 119.600 -0.343 0.000 2.419 85 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 85 M C 1.535 177.442 176.300 -0.656 0.000 1.073 85 M CA 1.652 56.607 55.300 -0.576 0.000 1.056 85 M CB -0.685 31.428 32.600 -0.812 0.000 1.394 85 M HN 0.050 nan 8.290 nan 0.000 0.444 86 W N 0.649 121.900 121.300 -0.082 0.000 2.872 86 W HA 0.243 4.903 4.660 -0.000 0.000 0.266 86 W C 0.837 177.289 176.519 -0.110 0.000 1.276 86 W CA -1.027 56.259 57.345 -0.099 0.000 1.471 86 W CB -0.048 29.424 29.460 0.020 0.000 1.071 86 W HN 0.123 nan 8.180 nan 0.000 0.619 87 N N 1.678 120.437 118.700 0.099 0.000 2.371 87 N HA 0.070 4.810 4.740 -0.000 0.000 0.243 87 N C -2.344 173.120 175.510 -0.076 0.000 1.287 87 N CA -1.009 52.058 53.050 0.029 0.000 0.911 87 N CB -0.191 38.312 38.487 0.027 0.000 1.142 87 N HN -0.287 nan 8.380 nan 0.000 0.451 88 P HA 0.112 nan 4.420 nan 0.000 0.268 88 P C -0.019 177.199 177.300 -0.136 0.000 1.205 88 P CA -0.025 62.990 63.100 -0.141 0.000 0.771 88 P CB 0.352 31.966 31.700 -0.142 0.000 0.858 89 N N 0.937 119.541 118.700 -0.160 0.000 2.170 89 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 89 N C 0.187 175.635 175.510 -0.102 0.000 1.218 89 N CA -0.116 52.854 53.050 -0.134 0.000 0.889 89 N CB 0.295 38.688 38.487 -0.156 0.000 1.083 89 N HN 0.085 nan 8.380 nan 0.000 0.520 90 R N 0.292 120.728 120.500 -0.107 0.000 2.922 90 R HA 0.441 4.781 4.340 -0.000 0.000 0.256 90 R C -0.395 175.865 176.300 -0.067 0.000 1.138 90 R CA -0.801 55.257 56.100 -0.070 0.000 0.995 90 R CB 0.470 30.728 30.300 -0.070 0.000 1.226 90 R HN 0.144 nan 8.270 nan 0.000 0.481 91 E N 0.754 120.928 120.200 -0.042 0.000 2.366 91 E HA 0.176 4.526 4.350 -0.000 0.000 0.266 91 E C -0.151 176.420 176.600 -0.048 0.000 1.051 91 E CA -0.263 56.114 56.400 -0.039 0.000 0.884 91 E CB 0.798 30.488 29.700 -0.017 0.000 1.006 91 E HN 0.220 nan 8.360 nan 0.000 0.417 92 L N 1.894 123.085 121.223 -0.053 0.000 2.439 92 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 92 L C 0.380 177.282 176.870 0.053 0.000 1.179 92 L CA 0.315 55.114 54.840 -0.067 0.000 0.828 92 L CB 0.867 42.809 42.059 -0.196 0.000 1.106 92 L HN 0.476 nan 8.230 nan 0.000 0.467 93 S N 0.699 116.433 115.700 0.058 0.000 2.580 93 S HA 0.139 4.609 4.470 -0.000 0.000 0.281 93 S C 0.059 174.597 174.600 -0.103 0.000 1.129 93 S CA -0.760 57.450 58.200 0.017 0.000 0.862 93 S CB 1.239 64.423 63.200 -0.027 0.000 1.090 93 S HN 0.737 nan 8.310 nan 0.000 0.451 94 E N 0.972 121.046 120.200 -0.211 0.000 2.338 94 E HA -0.061 4.289 4.350 -0.000 0.000 0.197 94 E C -0.334 176.118 176.600 -0.247 0.000 1.007 94 E CA 0.577 56.789 56.400 -0.313 0.000 0.849 94 E CB 0.041 29.520 29.700 -0.369 0.000 0.774 94 E HN 0.555 nan 8.360 nan 0.000 0.506 95 D N 0.307 120.592 120.400 -0.192 0.000 2.468 95 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 95 D C 0.044 176.183 176.300 -0.269 0.000 1.155 95 D CA -0.375 53.501 54.000 -0.207 0.000 0.924 95 D CB 0.107 40.844 40.800 -0.104 0.000 1.029 95 D HN 0.124 nan 8.370 nan 0.000 0.515 96 c N 2.347 120.677 118.600 -0.449 0.000 4.015 96 c HA 0.350 4.920 4.570 -0.000 0.000 0.323 96 c C 0.761 174.433 174.090 -0.697 0.000 1.724 96 c CA -0.620 55.419 56.329 -0.483 0.000 1.828 96 c CB -1.195 41.181 42.510 -0.224 0.000 3.083 96 c HN 0.442 nan 8.230 nan 0.000 0.640 97 L N 2.810 123.483 121.223 -0.917 0.000 2.382 97 L HA 0.307 4.646 4.340 -0.000 0.000 0.259 97 L C -0.720 175.520 176.870 -1.050 0.000 1.291 97 L CA 0.766 55.045 54.840 -0.935 0.000 1.176 97 L CB -0.835 40.620 42.059 -1.007 0.000 1.373 97 L HN 0.372 nan 8.230 nan 0.000 0.426 98 Y N 1.453 121.730 120.300 -0.039 0.000 2.633 98 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 98 Y C 0.126 176.233 175.900 0.345 0.000 1.045 98 Y CA -1.659 56.509 58.100 0.115 0.000 1.098 98 Y CB 1.644 40.118 38.460 0.023 0.000 1.296 98 Y HN 0.167 nan 8.280 nan 0.000 0.494 99 L N -0.464 120.958 121.223 0.332 0.000 2.250 99 L HA 0.801 5.140 4.340 -0.000 0.000 0.252 99 L C -1.177 175.749 176.870 0.093 0.000 1.054 99 L CA -1.020 53.901 54.840 0.135 0.000 0.856 99 L CB 1.624 43.578 42.059 -0.175 0.000 1.443 99 L HN 0.471 nan 8.230 nan 0.000 0.427 100 N N -0.803 117.968 118.700 0.118 0.000 2.321 100 N HA 0.791 5.531 4.740 -0.000 0.000 0.290 100 N C -1.628 173.908 175.510 0.045 0.000 1.212 100 N CA -0.422 52.640 53.050 0.020 0.000 0.767 100 N CB 2.782 41.251 38.487 -0.029 0.000 1.494 100 N HN 0.488 nan 8.380 nan 0.000 0.479 101 V N 0.847 120.705 119.914 -0.094 0.000 2.686 101 V HA 0.497 4.616 4.120 -0.000 0.000 0.306 101 V C -1.121 175.067 176.094 0.157 0.000 1.065 101 V CA -0.747 61.604 62.300 0.085 0.000 0.894 101 V CB 2.437 34.129 31.823 -0.217 0.000 1.004 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 2.036 123.444 121.300 0.179 0.000 2.656 102 W HA 0.692 5.352 4.660 -0.000 0.000 0.327 102 W C -0.401 176.240 176.519 0.204 0.000 1.041 102 W CA -0.607 56.852 57.345 0.190 0.000 1.229 102 W CB 2.571 32.109 29.460 0.131 0.000 1.397 102 W HN 0.379 nan 8.180 nan 0.000 0.479 103 T N 3.635 118.466 114.554 0.462 0.000 2.909 103 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 103 T C -2.567 172.322 174.700 0.314 0.000 1.073 103 T CA -1.346 60.969 62.100 0.359 0.000 0.999 103 T CB 2.558 71.655 68.868 0.382 0.000 1.098 103 T HN 0.047 nan 8.240 nan 0.000 0.477 104 P HA 0.123 nan 4.420 nan 0.000 0.271 104 P C -1.382 176.065 177.300 0.245 0.000 1.216 104 P CA -0.332 62.892 63.100 0.207 0.000 0.776 104 P CB 0.454 32.240 31.700 0.142 0.000 0.881 105 Y N 5.746 126.105 120.300 0.098 0.000 2.404 105 Y HA 0.379 4.929 4.550 -0.000 0.000 0.344 105 Y C -2.072 173.864 175.900 0.060 0.000 0.970 105 Y CA -2.376 55.773 58.100 0.082 0.000 1.180 105 Y CB 0.712 39.209 38.460 0.062 0.000 1.138 105 Y HN 0.309 nan 8.280 nan 0.000 0.510 106 P HA 0.356 nan 4.420 nan 0.000 0.285 106 P C -0.792 176.492 177.300 -0.025 0.000 1.280 106 P CA -0.786 62.154 63.100 -0.267 0.000 0.862 106 P CB 1.532 33.019 31.700 -0.356 0.000 1.153 107 R N 1.096 121.620 120.500 0.040 0.000 2.503 107 R HA -0.028 4.312 4.340 -0.000 0.000 0.271 107 R C -1.577 174.747 176.300 0.040 0.000 0.960 107 R CA -0.219 55.926 56.100 0.075 0.000 1.104 107 R CB -0.736 29.597 30.300 0.055 0.000 0.879 107 R HN 0.484 nan 8.270 nan 0.000 0.420 108 P HA -0.087 nan 4.420 nan 0.000 0.272 108 P C -0.191 177.120 177.300 0.019 0.000 1.248 108 P CA 0.224 63.349 63.100 0.042 0.000 0.799 108 P CB 0.442 32.175 31.700 0.055 0.000 0.997 109 A N -0.105 122.722 122.820 0.011 0.000 1.861 109 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 109 A C 1.356 178.940 177.584 0.000 0.000 1.199 109 A CA 1.536 53.574 52.037 0.001 0.000 0.613 109 A CB -0.733 18.266 19.000 -0.002 0.000 0.846 109 A HN 0.598 nan 8.150 nan 0.000 0.446 110 S N -1.123 114.580 115.700 0.004 0.000 2.638 110 S HA 0.578 5.048 4.470 -0.000 0.000 0.302 110 S C -3.027 171.579 174.600 0.010 0.000 1.096 110 S CA -1.685 56.517 58.200 0.002 0.000 0.953 110 S CB 1.128 64.326 63.200 -0.003 0.000 1.107 110 S HN -0.013 nan 8.310 nan 0.000 0.503 111 P HA 0.063 nan 4.420 nan 0.000 0.243 111 P C -0.572 176.737 177.300 0.016 0.000 1.134 111 P CA 0.573 63.681 63.100 0.013 0.000 1.109 111 P CB -0.649 31.050 31.700 -0.001 0.000 1.140 112 T N 6.156 120.730 114.554 0.033 0.000 2.898 112 T HA 0.212 4.562 4.350 -0.000 0.000 0.301 112 T C -1.999 172.722 174.700 0.036 0.000 1.049 112 T CA -1.010 61.110 62.100 0.034 0.000 1.095 112 T CB 0.011 68.913 68.868 0.055 0.000 0.976 112 T HN 0.244 nan 8.240 nan 0.000 0.539 113 P HA 0.228 nan 4.420 nan 0.000 0.275 113 P C -0.770 176.564 177.300 0.055 0.000 1.227 113 P CA -0.380 62.733 63.100 0.022 0.000 0.781 113 P CB 0.572 32.264 31.700 -0.013 0.000 0.906 114 V N 1.068 121.032 119.914 0.084 0.000 2.483 114 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 114 V C -0.365 175.809 176.094 0.133 0.000 1.035 114 V CA -1.009 61.364 62.300 0.121 0.000 0.896 114 V CB 1.394 33.308 31.823 0.150 0.000 0.986 114 V HN 0.187 nan 8.190 nan 0.000 0.447 115 L N 5.679 126.989 121.223 0.146 0.000 2.297 115 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 115 L C -0.135 176.977 176.870 0.403 0.000 1.040 115 L CA -0.290 54.657 54.840 0.178 0.000 0.867 115 L CB 0.636 42.679 42.059 -0.027 0.000 1.244 115 L HN 0.641 nan 8.230 nan 0.000 0.433 116 I N 3.888 124.705 120.570 0.411 0.000 2.337 116 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 116 I C -0.317 176.082 176.117 0.470 0.000 1.046 116 I CA -0.090 61.435 61.300 0.375 0.000 1.324 116 I CB 0.408 38.531 38.000 0.205 0.000 1.409 116 I HN 0.600 nan 8.210 nan 0.000 0.494 117 W N 8.900 130.322 121.300 0.203 0.000 2.417 117 W HA 0.529 5.189 4.660 -0.000 0.000 0.317 117 W C -1.495 174.914 176.519 -0.183 0.000 1.121 117 W CA -0.818 56.425 57.345 -0.171 0.000 1.208 117 W CB 1.093 30.443 29.460 -0.182 0.000 1.253 117 W HN 0.275 nan 8.180 nan 0.000 0.533 118 I N 9.108 128.939 120.570 -1.232 0.000 2.390 118 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 118 I C -0.170 175.066 176.117 -1.469 0.000 1.016 118 I CA -1.101 59.546 61.300 -1.088 0.000 1.151 118 I CB 0.485 38.043 38.000 -0.737 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.633 124.405 120.300 -0.881 0.000 2.511 119 Y HA 0.578 5.127 4.550 -0.000 0.000 0.347 119 Y C 0.527 176.277 175.900 -0.250 0.000 1.257 119 Y CA -0.878 56.939 58.100 -0.472 0.000 1.469 119 Y CB 0.095 38.687 38.460 0.220 0.000 1.353 119 Y HN 0.494 nan 8.280 nan 0.000 0.617 120 G N -0.775 108.067 108.800 0.069 0.000 2.571 120 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 120 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 120 G C -0.478 174.345 174.900 -0.129 0.000 1.314 120 G CA -0.762 44.288 45.100 -0.084 0.000 0.975 120 G HN 1.370 nan 8.290 nan 0.000 0.485 121 G N -0.886 107.719 108.800 -0.325 0.000 4.836 121 G HA2 0.522 4.482 3.960 -0.000 0.000 0.222 121 G HA3 0.522 4.482 3.960 -0.000 0.000 0.222 121 G C 0.817 175.149 174.900 -0.946 0.000 1.332 121 G CA 0.842 45.596 45.100 -0.577 0.000 0.606 121 G HN 2.086 nan 8.290 nan 0.000 0.357 122 G N 0.144 108.376 108.800 -0.947 0.000 2.175 122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G C 0.880 175.437 174.900 -0.573 0.000 0.979 122 G CA 0.616 44.866 45.100 -1.416 0.000 0.663 122 G HN 1.477 nan 8.290 nan 0.000 0.533 123 F N -3.311 116.481 119.950 -0.263 0.000 2.748 123 F HA -0.291 4.236 4.527 -0.000 0.000 0.370 123 F C 1.408 177.263 175.800 0.090 0.000 0.620 123 F CA 2.166 60.138 58.000 -0.048 0.000 1.233 123 F CB -1.978 36.878 39.000 -0.240 0.000 1.708 123 F HN 0.960 nan 8.300 nan 0.000 0.298 124 Y N -1.032 119.332 120.300 0.106 0.000 2.453 124 Y HA 0.662 5.212 4.550 -0.000 0.000 0.247 124 Y C 0.643 176.623 175.900 0.132 0.000 1.124 124 Y CA 0.330 58.512 58.100 0.137 0.000 1.243 124 Y CB 0.033 38.550 38.460 0.096 0.000 1.213 124 Y HN 0.117 nan 8.280 nan 0.000 0.523 125 S N -0.531 114.898 115.700 -0.451 0.000 2.752 125 S HA 0.872 5.342 4.470 -0.000 0.000 0.284 125 S C -0.200 174.247 174.600 -0.256 0.000 1.189 125 S CA -0.393 57.621 58.200 -0.310 0.000 0.835 125 S CB 1.348 64.246 63.200 -0.502 0.000 1.192 125 S HN 1.432 nan 8.310 nan 0.000 0.506 126 G N -0.607 108.027 108.800 -0.276 0.000 2.539 126 G HA2 0.542 4.502 3.960 -0.000 0.000 0.686 126 G HA3 0.542 4.502 3.960 -0.000 0.000 0.686 126 G C -0.597 173.647 174.900 -1.094 0.000 1.258 126 G CA -0.293 44.510 45.100 -0.496 0.000 0.846 126 G HN 2.258 nan 8.290 nan 0.000 0.647 127 A N -0.453 121.610 122.820 -1.262 0.000 2.565 127 A HA 0.981 5.301 4.320 -0.000 0.000 0.298 127 A C 0.736 178.110 177.584 -0.350 0.000 1.062 127 A CA 0.821 52.271 52.037 -0.978 0.000 0.723 127 A CB 0.817 19.529 19.000 -0.480 0.000 1.282 127 A HN 2.595 nan 8.150 nan 0.000 0.400 128 A N 1.010 123.865 122.820 0.059 0.000 1.972 128 A HA 0.022 4.341 4.320 -0.000 0.000 0.219 128 A C 2.021 179.533 177.584 -0.119 0.000 1.169 128 A CA 2.455 54.695 52.037 0.339 0.000 0.635 128 A CB -0.791 18.497 19.000 0.479 0.000 0.810 128 A HN 1.560 nan 8.150 nan 0.000 0.446 129 S N -0.017 115.353 115.700 -0.550 0.000 2.462 129 S HA -0.069 4.401 4.470 -0.000 0.000 0.243 129 S C 0.784 174.956 174.600 -0.714 0.000 1.003 129 S CA 0.371 57.857 58.200 -1.190 0.000 0.970 129 S CB -0.744 62.010 63.200 -0.743 0.000 0.762 129 S HN 0.512 nan 8.310 nan 0.000 0.510 130 L N 1.963 122.885 121.223 -0.501 0.000 2.483 130 L HA 0.023 4.363 4.340 -0.000 0.000 0.275 130 L C 1.386 177.985 176.870 -0.451 0.000 1.220 130 L CA -0.364 54.157 54.840 -0.532 0.000 0.833 130 L CB 0.213 41.785 42.059 -0.812 0.000 1.102 130 L HN 0.032 nan 8.230 nan 0.000 0.490 131 D N 0.934 121.099 120.400 -0.391 0.000 2.084 131 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 131 D C 1.974 178.075 176.300 -0.332 0.000 0.990 131 D CA 1.502 55.342 54.000 -0.266 0.000 0.826 131 D CB -0.114 40.544 40.800 -0.236 0.000 0.971 131 D HN 0.512 nan 8.370 nan 0.000 0.453 132 V N -0.942 118.669 119.914 -0.505 0.000 3.186 132 V HA -0.166 3.953 4.120 -0.000 0.000 0.270 132 V C 0.582 176.287 176.094 -0.649 0.000 1.149 132 V CA 1.091 63.105 62.300 -0.476 0.000 1.160 132 V CB -1.253 30.297 31.823 -0.456 0.000 0.758 132 V HN 0.117 nan 8.190 nan 0.000 0.516 133 Y N 0.022 119.840 120.300 -0.803 0.000 2.708 133 Y HA 0.480 5.030 4.550 -0.000 0.000 0.287 133 Y C 0.699 176.004 175.900 -0.992 0.000 1.145 133 Y CA -2.157 55.027 58.100 -1.528 0.000 1.249 133 Y CB -0.898 36.869 38.460 -1.155 0.000 1.152 133 Y HN 0.234 nan 8.280 nan 0.000 0.532 134 D N 1.110 121.258 120.400 -0.419 0.000 2.357 134 D HA 0.059 4.698 4.640 -0.000 0.000 0.265 134 D C 1.420 177.505 176.300 -0.359 0.000 1.334 134 D CA 0.302 54.214 54.000 -0.147 0.000 0.984 134 D CB 0.822 41.660 40.800 0.062 0.000 1.077 134 D HN 0.527 nan 8.370 nan 0.000 0.514 135 G N 4.219 112.309 108.800 -1.183 0.000 2.990 135 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G C 1.519 175.786 174.900 -1.056 0.000 1.169 135 G CA 0.032 44.419 45.100 -1.188 0.000 0.819 135 G HN 0.503 nan 8.290 nan 0.000 0.517 136 R N 0.011 120.012 120.500 -0.833 0.000 2.066 136 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 136 R C 1.801 177.896 176.300 -0.342 0.000 1.131 136 R CA 1.200 57.058 56.100 -0.404 0.000 0.955 136 R CB -0.925 29.198 30.300 -0.294 0.000 0.851 136 R HN 0.346 nan 8.270 nan 0.000 0.432 137 F N 1.859 121.774 119.950 -0.059 0.000 2.069 137 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 137 F C 2.532 178.300 175.800 -0.054 0.000 1.113 137 F CA 1.131 59.107 58.000 -0.040 0.000 1.214 137 F CB -0.744 38.225 39.000 -0.053 0.000 0.978 137 F HN -0.102 nan 8.300 nan 0.000 0.474 138 L N -0.247 121.025 121.223 0.081 0.000 2.261 138 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 138 L C 2.448 179.322 176.870 0.007 0.000 1.114 138 L CA 1.069 55.904 54.840 -0.010 0.000 0.777 138 L CB -0.847 41.142 42.059 -0.117 0.000 0.910 138 L HN 0.224 nan 8.230 nan 0.000 0.440 139 A N -1.423 121.408 122.820 0.018 0.000 1.901 139 A HA -0.101 4.219 4.320 -0.000 0.000 0.210 139 A C 2.225 179.859 177.584 0.084 0.000 1.208 139 A CA 0.472 52.556 52.037 0.078 0.000 0.644 139 A CB -0.356 18.736 19.000 0.154 0.000 0.863 139 A HN 0.298 nan 8.150 nan 0.000 0.454 140 Q N 0.505 120.346 119.800 0.069 0.000 1.956 140 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 140 Q C 2.180 178.227 176.000 0.077 0.000 0.998 140 Q CA 2.610 58.459 55.803 0.076 0.000 0.855 140 Q CB -0.629 28.141 28.738 0.052 0.000 0.928 140 Q HN 0.343 nan 8.270 nan 0.000 0.418 141 V N 1.606 121.570 119.914 0.083 0.000 2.229 141 V HA -0.185 3.934 4.120 -0.000 0.000 0.243 141 V C 1.993 178.116 176.094 0.047 0.000 1.042 141 V CA 2.085 64.427 62.300 0.070 0.000 1.000 141 V CB -0.492 31.378 31.823 0.079 0.000 0.637 141 V HN 0.367 nan 8.190 nan 0.000 0.446 142 E N 0.179 120.401 120.200 0.037 0.000 2.476 142 E HA 0.145 4.494 4.350 -0.000 0.000 0.191 142 E C 1.513 178.130 176.600 0.027 0.000 1.064 142 E CA 0.705 57.118 56.400 0.021 0.000 0.866 142 E CB -0.195 29.507 29.700 0.003 0.000 0.952 142 E HN 0.676 nan 8.360 nan 0.000 0.492 143 G N 1.738 110.565 108.800 0.045 0.000 2.356 143 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.296 143 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.296 143 G C 0.274 175.210 174.900 0.060 0.000 1.022 143 G CA 0.488 45.623 45.100 0.057 0.000 0.961 143 G HN 0.451 nan 8.290 nan 0.000 0.510 144 A N -0.765 122.092 122.820 0.062 0.000 2.312 144 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 144 A C 0.250 177.903 177.584 0.114 0.000 1.158 144 A CA -0.408 51.668 52.037 0.064 0.000 0.821 144 A CB 1.808 20.824 19.000 0.027 0.000 1.170 144 A HN 1.096 nan 8.150 nan 0.000 0.490 145 V N 3.183 123.174 119.914 0.129 0.000 2.389 145 V HA 0.243 4.362 4.120 -0.000 0.000 0.264 145 V C 0.047 176.261 176.094 0.199 0.000 1.049 145 V CA 0.054 62.464 62.300 0.183 0.000 0.932 145 V CB 0.361 32.290 31.823 0.176 0.000 1.011 145 V HN 0.722 nan 8.190 nan 0.000 0.475 146 L N 6.470 127.851 121.223 0.262 0.000 2.309 146 L HA 0.736 5.076 4.340 -0.000 0.000 0.282 146 L C -0.763 176.380 176.870 0.456 0.000 1.036 146 L CA -0.271 54.753 54.840 0.307 0.000 0.806 146 L CB 1.737 43.908 42.059 0.187 0.000 1.220 146 L HN 0.416 nan 8.230 nan 0.000 0.429 147 V N 3.016 123.190 119.914 0.433 0.000 2.638 147 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 147 V C -0.571 175.809 176.094 0.477 0.000 1.052 147 V CA -0.509 62.048 62.300 0.428 0.000 0.885 147 V CB 1.976 33.957 31.823 0.263 0.000 0.999 147 V HN 0.816 nan 8.190 nan 0.000 0.424 148 S N 5.885 121.909 115.700 0.541 0.000 2.707 148 S HA 0.757 5.226 4.470 -0.000 0.000 0.303 148 S C -0.648 174.181 174.600 0.382 0.000 1.132 148 S CA -0.765 57.751 58.200 0.527 0.000 1.046 148 S CB 1.696 65.317 63.200 0.701 0.000 1.004 148 S HN 0.825 nan 8.310 nan 0.000 0.483 149 M N 1.810 121.552 119.600 0.236 0.000 2.649 149 M HA 0.668 5.148 4.480 -0.000 0.000 0.294 149 M C -1.336 175.193 176.300 0.381 0.000 1.206 149 M CA -0.316 55.102 55.300 0.198 0.000 0.928 149 M CB 0.396 32.934 32.600 -0.105 0.000 1.571 149 M HN 0.506 nan 8.290 nan 0.000 0.501 150 N N 1.452 120.428 118.700 0.459 0.000 2.399 150 N HA 0.625 5.364 4.740 -0.000 0.000 0.295 150 N C -1.610 174.181 175.510 0.468 0.000 1.048 150 N CA -0.072 53.287 53.050 0.516 0.000 0.886 150 N CB 1.081 39.745 38.487 0.295 0.000 1.185 150 N HN 0.675 nan 8.380 nan 0.000 0.487 151 Y N -1.491 118.934 120.300 0.209 0.000 2.477 151 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 151 Y C -0.051 175.940 175.900 0.152 0.000 0.981 151 Y CA -1.345 56.829 58.100 0.124 0.000 1.033 151 Y CB 0.847 39.321 38.460 0.024 0.000 1.245 151 Y HN 0.201 nan 8.280 nan 0.000 0.455 152 R N 2.588 123.117 120.500 0.048 0.000 2.458 152 R HA 0.356 4.696 4.340 -0.000 0.000 0.303 152 R C 0.153 176.480 176.300 0.045 0.000 1.013 152 R CA -0.005 56.097 56.100 0.004 0.000 1.026 152 R CB 0.258 30.558 30.300 -0.000 0.000 0.948 152 R HN 0.729 nan 8.270 nan 0.000 0.417 153 V N 1.086 121.069 119.914 0.116 0.000 3.503 153 V HA 0.777 4.897 4.120 -0.000 0.000 0.294 153 V C 1.115 177.465 176.094 0.427 0.000 1.102 153 V CA -0.131 62.365 62.300 0.327 0.000 0.979 153 V CB 0.651 32.589 31.823 0.192 0.000 1.240 153 V HN 0.949 nan 8.190 nan 0.000 0.444 154 G N 0.979 110.060 108.800 0.467 0.000 2.578 154 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.284 154 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.284 154 G C 0.849 175.844 174.900 0.158 0.000 1.283 154 G CA 1.437 46.733 45.100 0.327 0.000 0.944 154 G HN 1.982 nan 8.290 nan 0.000 0.558 155 T N -0.814 113.548 114.554 -0.320 0.000 2.720 155 T HA -0.136 4.213 4.350 -0.000 0.000 0.268 155 T C 2.109 176.651 174.700 -0.263 0.000 1.037 155 T CA 2.544 64.230 62.100 -0.690 0.000 1.144 155 T CB -0.391 67.902 68.868 -0.957 0.000 0.864 155 T HN 0.505 nan 8.240 nan 0.000 0.444 156 F N 2.200 122.206 119.950 0.092 0.000 2.134 156 F HA 0.174 4.701 4.527 -0.000 0.000 0.299 156 F C 2.823 178.625 175.800 0.003 0.000 1.097 156 F CA 0.759 58.803 58.000 0.073 0.000 1.264 156 F CB -1.215 37.777 39.000 -0.013 0.000 1.001 156 F HN 0.305 nan 8.300 nan 0.000 0.479 157 G N -1.298 107.571 108.800 0.115 0.000 2.426 157 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.214 157 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.214 157 G C 1.048 175.523 174.900 -0.709 0.000 1.156 157 G CA 0.486 45.401 45.100 -0.309 0.000 0.802 157 G HN 0.369 nan 8.290 nan 0.000 0.534 158 F N -0.510 119.495 119.950 0.092 0.000 2.817 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.333 158 F C 0.667 176.506 175.800 0.066 0.000 1.085 158 F CA -0.957 57.081 58.000 0.063 0.000 1.170 158 F CB 0.256 39.297 39.000 0.068 0.000 1.066 158 F HN -0.090 nan 8.300 nan 0.000 0.564 159 L N 2.255 123.485 121.223 0.012 0.000 2.640 159 L HA 0.325 4.665 4.340 -0.000 0.000 0.280 159 L C -0.017 176.795 176.870 -0.096 0.000 1.229 159 L CA 0.040 54.760 54.840 -0.200 0.000 0.919 159 L CB 0.149 41.783 42.059 -0.709 0.000 1.168 159 L HN 0.157 nan 8.230 nan 0.000 0.496 160 A N 5.608 128.439 122.820 0.017 0.000 2.475 160 A HA 0.733 5.052 4.320 -0.000 0.000 0.301 160 A C -1.343 176.219 177.584 -0.036 0.000 1.059 160 A CA -0.630 51.391 52.037 -0.027 0.000 0.710 160 A CB 1.549 20.572 19.000 0.038 0.000 1.288 160 A HN 0.606 nan 8.150 nan 0.000 0.408 161 L N 3.138 124.329 121.223 -0.053 0.000 2.445 161 L HA 0.364 4.703 4.340 -0.000 0.000 0.252 161 L C -2.240 174.621 176.870 -0.015 0.000 1.105 161 L CA -1.330 53.487 54.840 -0.038 0.000 0.943 161 L CB 1.339 43.365 42.059 -0.054 0.000 1.277 161 L HN 0.425 nan 8.230 nan 0.000 0.465 162 P HA 0.015 nan 4.420 nan 0.000 0.261 162 P C 1.046 178.349 177.300 0.006 0.000 1.158 162 P CA 1.271 64.375 63.100 0.006 0.000 0.758 162 P CB 0.701 32.405 31.700 0.007 0.000 0.763 163 G N 1.760 110.567 108.800 0.013 0.000 2.241 163 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G C 0.381 175.289 174.900 0.013 0.000 0.998 163 G CA 0.327 45.435 45.100 0.014 0.000 0.621 163 G HN 0.907 nan 8.290 nan 0.000 0.519 164 S N 0.003 115.709 115.700 0.009 0.000 2.585 164 S HA 0.545 5.014 4.470 -0.000 0.000 0.273 164 S C 1.274 175.886 174.600 0.020 0.000 1.339 164 S CA 0.562 58.768 58.200 0.010 0.000 1.028 164 S CB 1.777 64.976 63.200 -0.001 0.000 0.906 164 S HN 0.462 nan 8.310 nan 0.000 0.528 165 R N 0.751 121.265 120.500 0.023 0.000 2.127 165 R HA 0.005 4.344 4.340 -0.000 0.000 0.217 165 R C 1.405 177.729 176.300 0.040 0.000 1.074 165 R CA 1.280 57.399 56.100 0.031 0.000 0.991 165 R CB -0.065 30.252 30.300 0.028 0.000 0.895 165 R HN 0.919 nan 8.270 nan 0.000 0.450 166 E N -1.015 119.211 120.200 0.044 0.000 2.481 166 E HA 0.112 4.462 4.350 -0.000 0.000 0.198 166 E C -0.356 176.306 176.600 0.104 0.000 1.027 166 E CA 0.137 56.580 56.400 0.071 0.000 0.900 166 E CB 1.223 30.968 29.700 0.074 0.000 0.993 166 E HN 0.164 nan 8.360 nan 0.000 0.482 167 A N 2.517 125.369 122.820 0.054 0.000 3.330 167 A HA 0.281 4.600 4.320 -0.000 0.000 0.256 167 A C -2.353 175.229 177.584 -0.003 0.000 1.185 167 A CA -0.745 51.307 52.037 0.025 0.000 0.940 167 A CB 0.814 19.741 19.000 -0.123 0.000 1.397 167 A HN -0.052 nan 8.150 nan 0.000 0.678 168 P HA 0.274 nan 4.420 nan 0.000 0.251 168 P C 0.823 178.138 177.300 0.025 0.000 1.223 168 P CA 1.344 64.460 63.100 0.025 0.000 0.796 168 P CB 0.451 32.175 31.700 0.039 0.000 1.068 169 G N 1.222 110.032 108.800 0.017 0.000 2.730 169 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G C -0.053 174.834 174.900 -0.022 0.000 1.343 169 G CA -0.288 44.822 45.100 0.018 0.000 0.826 169 G HN 0.134 nan 8.290 nan 0.000 0.582 170 N N -2.406 116.277 118.700 -0.030 0.000 2.828 170 N HA -0.286 4.454 4.740 -0.000 0.000 0.248 170 N C 1.893 177.218 175.510 -0.308 0.000 1.044 170 N CA 2.409 55.367 53.050 -0.154 0.000 0.851 170 N CB -1.663 36.686 38.487 -0.230 0.000 1.136 170 N HN 1.931 nan 8.380 nan 0.000 0.572 171 V N -2.514 117.234 119.914 -0.277 0.000 2.720 171 V HA -0.001 4.119 4.120 -0.000 0.000 0.256 171 V C 2.277 178.215 176.094 -0.260 0.000 1.082 171 V CA 2.292 64.476 62.300 -0.193 0.000 1.101 171 V CB -0.865 30.902 31.823 -0.094 0.000 0.693 171 V HN 0.283 nan 8.190 nan 0.000 0.479 172 G N 0.124 108.568 108.800 -0.593 0.000 2.443 172 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 172 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 172 G C 1.504 176.380 174.900 -0.039 0.000 1.131 172 G CA 0.995 45.899 45.100 -0.326 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.128 120.990 121.223 -0.175 0.000 2.095 173 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 173 L C 2.798 179.693 176.870 0.042 0.000 1.080 173 L CA 0.293 55.044 54.840 -0.148 0.000 0.759 173 L CB -0.314 41.362 42.059 -0.638 0.000 0.914 173 L HN 0.158 nan 8.230 nan 0.000 0.439 174 L N -0.311 120.915 121.223 0.006 0.000 2.127 174 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 174 L C 2.164 179.143 176.870 0.182 0.000 1.089 174 L CA 1.060 56.005 54.840 0.175 0.000 0.757 174 L CB -0.745 41.389 42.059 0.125 0.000 0.899 174 L HN 0.316 nan 8.230 nan 0.000 0.434 175 D N 0.213 120.706 120.400 0.154 0.000 2.087 175 D HA -0.218 4.422 4.640 -0.000 0.000 0.192 175 D C 2.284 178.741 176.300 0.262 0.000 0.993 175 D CA 1.344 55.515 54.000 0.285 0.000 0.828 175 D CB -0.292 40.683 40.800 0.291 0.000 0.968 175 D HN 0.403 nan 8.370 nan 0.000 0.448 176 Q N 0.137 120.014 119.800 0.128 0.000 2.096 176 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 176 Q C 2.251 178.218 176.000 -0.055 0.000 0.982 176 Q CA 1.315 57.105 55.803 -0.022 0.000 0.850 176 Q CB -0.224 28.480 28.738 -0.058 0.000 0.901 176 Q HN 0.265 nan 8.270 nan 0.000 0.422 177 R N 1.013 121.560 120.500 0.079 0.000 2.081 177 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 177 R C 2.192 178.510 176.300 0.029 0.000 1.131 177 R CA 1.037 57.138 56.100 0.000 0.000 0.960 177 R CB -0.343 30.063 30.300 0.175 0.000 0.856 177 R HN 0.328 nan 8.270 nan 0.000 0.436 178 L N 0.720 122.014 121.223 0.119 0.000 2.046 178 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 178 L C 2.434 179.337 176.870 0.055 0.000 1.077 178 L CA 1.896 56.846 54.840 0.183 0.000 0.747 178 L CB -0.772 41.499 42.059 0.353 0.000 0.896 178 L HN 0.438 nan 8.230 nan 0.000 0.432 179 A N -0.350 122.289 122.820 -0.302 0.000 1.933 179 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 179 A C 2.054 179.551 177.584 -0.145 0.000 1.175 179 A CA 1.321 52.968 52.037 -0.650 0.000 0.628 179 A CB -0.519 17.890 19.000 -0.985 0.000 0.814 179 A HN 0.396 nan 8.150 nan 0.000 0.444 180 L N 0.015 121.176 121.223 -0.104 0.000 2.017 180 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 180 L C 2.715 179.631 176.870 0.077 0.000 1.073 180 L CA 2.243 57.068 54.840 -0.024 0.000 0.745 180 L CB -1.103 40.884 42.059 -0.121 0.000 0.894 180 L HN 0.530 nan 8.230 nan 0.000 0.432 181 Q N -2.444 117.413 119.800 0.094 0.000 2.226 181 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 181 Q C 2.071 178.188 176.000 0.195 0.000 0.975 181 Q CA 1.777 57.656 55.803 0.126 0.000 0.866 181 Q CB -0.445 28.368 28.738 0.125 0.000 0.915 181 Q HN 0.649 nan 8.270 nan 0.000 0.440 182 W N 0.509 121.826 121.300 0.029 0.000 2.408 182 W HA -0.143 4.517 4.660 -0.000 0.000 0.311 182 W C 2.049 178.597 176.519 0.049 0.000 1.190 182 W CA 0.840 58.224 57.345 0.065 0.000 1.321 182 W CB -0.321 29.192 29.460 0.088 0.000 1.143 182 W HN -0.117 nan 8.180 nan 0.000 0.501 183 V N 1.275 121.493 119.914 0.506 0.000 2.278 183 V HA -0.403 3.717 4.120 -0.000 0.000 0.251 183 V C 2.491 178.631 176.094 0.077 0.000 1.062 183 V CA 2.693 65.174 62.300 0.302 0.000 1.038 183 V CB -0.836 31.145 31.823 0.263 0.000 0.646 183 V HN 0.336 nan 8.190 nan 0.000 0.447 184 Q N 0.990 120.839 119.800 0.081 0.000 1.998 184 Q HA -0.251 4.088 4.340 -0.000 0.000 0.209 184 Q C 1.929 177.915 176.000 -0.024 0.000 1.002 184 Q CA 2.610 58.439 55.803 0.043 0.000 0.858 184 Q CB -0.443 28.325 28.738 0.051 0.000 0.932 184 Q HN 0.922 nan 8.270 nan 0.000 0.416 185 E N -1.509 118.648 120.200 -0.072 0.000 2.365 185 E HA 0.043 4.393 4.350 -0.000 0.000 0.188 185 E C 0.175 176.621 176.600 -0.255 0.000 1.102 185 E CA 0.219 56.543 56.400 -0.127 0.000 0.927 185 E CB 0.137 29.785 29.700 -0.086 0.000 1.073 185 E HN 0.263 nan 8.360 nan 0.000 0.467 186 N N -0.210 118.281 118.700 -0.348 0.000 1.863 186 N HA 0.002 4.742 4.740 -0.000 0.000 0.226 186 N C 0.795 176.189 175.510 -0.193 0.000 1.421 186 N CA -0.003 52.784 53.050 -0.438 0.000 0.746 186 N CB 0.264 38.050 38.487 -1.169 0.000 1.059 186 N HN 0.108 nan 8.380 nan 0.000 0.518 187 I N 2.564 123.070 120.570 -0.108 0.000 2.614 187 I HA 0.020 4.190 4.170 -0.000 0.000 0.258 187 I C 2.214 178.449 176.117 0.196 0.000 1.189 187 I CA 0.822 62.183 61.300 0.102 0.000 1.462 187 I CB -0.347 37.708 38.000 0.090 0.000 1.092 187 I HN 0.110 nan 8.210 nan 0.000 0.442 188 A N 0.953 123.814 122.820 0.069 0.000 1.896 188 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 188 A C 2.461 180.059 177.584 0.023 0.000 1.206 188 A CA 2.360 54.417 52.037 0.034 0.000 0.647 188 A CB -1.525 17.465 19.000 -0.017 0.000 0.828 188 A HN 0.538 nan 8.150 nan 0.000 0.455 189 A N -2.409 120.391 122.820 -0.033 0.000 2.234 189 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 189 A C 1.303 178.647 177.584 -0.399 0.000 1.167 189 A CA 1.208 53.114 52.037 -0.220 0.000 0.698 189 A CB -0.692 18.107 19.000 -0.336 0.000 0.779 189 A HN 0.512 nan 8.150 nan 0.000 0.475 190 F N -1.601 118.292 119.950 -0.095 0.000 2.661 190 F HA 0.402 4.928 4.527 -0.000 0.000 0.306 190 F C 1.643 177.439 175.800 -0.007 0.000 1.094 190 F CA 0.253 58.201 58.000 -0.088 0.000 1.254 190 F CB 0.345 39.294 39.000 -0.086 0.000 1.040 190 F HN 0.279 nan 8.300 nan 0.000 0.562 191 G N 0.460 109.330 108.800 0.116 0.000 2.141 191 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G C 0.554 175.516 174.900 0.104 0.000 0.982 191 G CA -0.214 44.938 45.100 0.087 0.000 0.662 191 G HN 0.730 nan 8.290 nan 0.000 0.527 192 G N -0.654 108.227 108.800 0.135 0.000 2.425 192 G HA2 0.503 4.463 3.960 -0.000 0.000 0.302 192 G HA3 0.503 4.463 3.960 -0.000 0.000 0.302 192 G C -0.814 174.131 174.900 0.076 0.000 1.159 192 G CA 0.071 45.239 45.100 0.114 0.000 0.865 192 G HN 0.199 nan 8.290 nan 0.000 0.515 193 D N 1.393 121.829 120.400 0.060 0.000 2.380 193 D HA 0.268 4.908 4.640 -0.000 0.000 0.230 193 D C -1.074 175.259 176.300 0.055 0.000 1.154 193 D CA -2.365 51.656 54.000 0.035 0.000 0.859 193 D CB 1.807 42.611 40.800 0.006 0.000 1.045 193 D HN 0.053 nan 8.370 nan 0.000 0.495 194 P HA -0.105 nan 4.420 nan 0.000 0.236 194 P C 0.919 178.303 177.300 0.140 0.000 1.172 194 P CA 0.421 63.578 63.100 0.094 0.000 0.759 194 P CB 0.294 32.029 31.700 0.059 0.000 0.843 195 M N -0.754 118.860 119.600 0.024 0.000 2.382 195 M HA 0.100 4.580 4.480 -0.000 0.000 0.247 195 M C 0.824 176.850 176.300 -0.457 0.000 1.104 195 M CA 0.146 55.335 55.300 -0.185 0.000 1.030 195 M CB -0.652 31.845 32.600 -0.173 0.000 1.424 195 M HN -0.107 nan 8.290 nan 0.000 0.486 196 S N 0.435 116.072 115.700 -0.104 0.000 2.204 196 S HA 0.440 4.910 4.470 -0.000 0.000 0.147 196 S C -0.856 173.838 174.600 0.158 0.000 1.711 196 S CA -0.585 57.591 58.200 -0.040 0.000 1.274 196 S CB 0.161 63.303 63.200 -0.097 0.000 1.257 196 S HN -0.081 nan 8.310 nan 0.000 0.404 197 V N 3.223 123.387 119.914 0.418 0.000 2.385 197 V HA 0.446 4.566 4.120 -0.000 0.000 0.269 197 V C 0.274 176.544 176.094 0.293 0.000 1.043 197 V CA -0.080 62.405 62.300 0.308 0.000 0.906 197 V CB 1.284 33.267 31.823 0.266 0.000 0.995 197 V HN 0.777 nan 8.190 nan 0.000 0.467 198 T N 7.286 121.976 114.554 0.227 0.000 2.842 198 T HA 0.498 4.848 4.350 -0.000 0.000 0.308 198 T C -0.080 174.798 174.700 0.295 0.000 1.041 198 T CA -0.264 61.979 62.100 0.238 0.000 0.964 198 T CB 0.277 69.221 68.868 0.125 0.000 0.972 198 T HN 0.345 nan 8.240 nan 0.000 0.460 199 L N 4.690 126.087 121.223 0.290 0.000 2.439 199 L HA 0.572 4.911 4.340 -0.000 0.000 0.269 199 L C -0.243 176.874 176.870 0.411 0.000 1.179 199 L CA -0.453 54.525 54.840 0.229 0.000 0.828 199 L CB 0.215 42.242 42.059 -0.053 0.000 1.106 199 L HN 0.629 nan 8.230 nan 0.000 0.467 200 F N 0.531 120.551 119.950 0.116 0.000 2.651 200 F HA 0.810 5.337 4.527 -0.000 0.000 0.329 200 F C -0.526 175.271 175.800 -0.004 0.000 1.186 200 F CA -0.973 57.138 58.000 0.185 0.000 1.046 200 F CB 0.915 40.149 39.000 0.390 0.000 1.296 200 F HN 0.440 nan 8.300 nan 0.000 0.497 201 G N 2.474 111.090 108.800 -0.307 0.000 2.695 201 G HA2 0.525 4.485 3.960 -0.000 0.000 0.290 201 G HA3 0.525 4.485 3.960 -0.000 0.000 0.290 201 G C -2.235 172.418 174.900 -0.412 0.000 1.410 201 G CA -0.772 43.788 45.100 -0.899 0.000 0.844 201 G HN 0.811 nan 8.290 nan 0.000 0.478 202 E N -0.114 119.797 120.200 -0.482 0.000 2.285 202 E HA 0.580 4.930 4.350 -0.000 0.000 0.254 202 E C 1.167 177.669 176.600 -0.164 0.000 1.011 202 E CA 0.092 56.405 56.400 -0.145 0.000 0.873 202 E CB 1.984 31.692 29.700 0.013 0.000 1.229 202 E HN 0.525 nan 8.360 nan 0.000 0.422 203 S N 0.438 116.102 115.700 -0.060 0.000 4.103 203 S HA -0.396 4.074 4.470 -0.000 0.000 0.538 203 S C 1.457 176.092 174.600 0.058 0.000 1.351 203 S CA 2.482 60.732 58.200 0.084 0.000 3.695 203 S CB -1.328 61.886 63.200 0.022 0.000 1.942 203 S HN 0.762 nan 8.310 nan 0.000 0.539 204 A N 0.730 123.448 122.820 -0.170 0.000 2.121 204 A HA 0.248 4.567 4.320 -0.000 0.000 0.218 204 A C 2.330 179.647 177.584 -0.446 0.000 1.154 204 A CA 1.876 53.652 52.037 -0.435 0.000 0.679 204 A CB -1.381 16.806 19.000 -1.356 0.000 0.795 204 A HN 1.179 nan 8.150 nan 0.000 0.458 205 G N -0.159 108.411 108.800 -0.384 0.000 2.421 205 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G C 1.755 176.440 174.900 -0.358 0.000 1.171 205 G CA 1.292 46.105 45.100 -0.480 0.000 0.775 205 G HN 0.718 nan 8.290 nan 0.000 0.543 206 A N 1.412 124.083 122.820 -0.248 0.000 1.883 206 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 206 A C 2.858 180.384 177.584 -0.096 0.000 1.186 206 A CA 2.571 54.536 52.037 -0.121 0.000 0.624 206 A CB -1.012 17.978 19.000 -0.017 0.000 0.822 206 A HN 0.920 nan 8.150 nan 0.000 0.444 207 A N -0.636 122.146 122.820 -0.064 0.000 1.948 207 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 207 A C 2.452 180.002 177.584 -0.056 0.000 1.177 207 A CA 2.316 54.315 52.037 -0.063 0.000 0.636 207 A CB -0.877 18.112 19.000 -0.018 0.000 0.815 207 A HN 0.484 nan 8.150 nan 0.000 0.449 208 S N -0.600 115.043 115.700 -0.095 0.000 2.345 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 208 S C 1.916 176.353 174.600 -0.271 0.000 1.031 208 S CA 1.307 59.401 58.200 -0.176 0.000 0.996 208 S CB -0.611 62.426 63.200 -0.272 0.000 0.882 208 S HN 0.346 nan 8.310 nan 0.000 0.445 209 V N 1.988 121.783 119.914 -0.199 0.000 2.317 209 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 209 V C 2.605 178.627 176.094 -0.121 0.000 1.065 209 V CA 2.071 64.285 62.300 -0.142 0.000 1.049 209 V CB -1.602 30.161 31.823 -0.099 0.000 0.651 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -1.101 107.639 108.800 -0.101 0.000 2.469 210 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 210 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 210 G C 1.605 176.475 174.900 -0.049 0.000 1.150 210 G CA 1.249 46.304 45.100 -0.075 0.000 0.763 210 G HN 0.465 nan 8.290 nan 0.000 0.561 211 M N -0.502 119.048 119.600 -0.085 0.000 2.296 211 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 211 M C 2.226 178.552 176.300 0.043 0.000 1.064 211 M CA 1.002 56.301 55.300 -0.002 0.000 1.109 211 M CB -0.206 32.401 32.600 0.011 0.000 1.396 211 M HN 0.386 nan 8.290 nan 0.000 0.430 212 H N -0.073 119.028 119.070 0.052 0.000 2.321 212 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 212 H C 2.022 177.412 175.328 0.104 0.000 1.087 212 H CA 1.527 57.565 56.048 -0.017 0.000 1.319 212 H CB 0.007 29.592 29.762 -0.296 0.000 1.379 212 H HN 0.279 nan 8.280 nan 0.000 0.501 213 I N 0.248 120.968 120.570 0.249 0.000 2.264 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 213 I C 1.429 177.714 176.117 0.280 0.000 1.111 213 I CA 0.651 62.186 61.300 0.392 0.000 1.382 213 I CB 0.008 38.155 38.000 0.245 0.000 1.060 213 I HN 0.270 nan 8.210 nan 0.000 0.418 214 L N -0.316 121.013 121.223 0.177 0.000 2.478 214 L HA 0.097 4.437 4.340 -0.000 0.000 0.223 214 L C 1.140 178.065 176.870 0.093 0.000 1.140 214 L CA 1.005 55.943 54.840 0.162 0.000 0.842 214 L CB -0.824 41.299 42.059 0.106 0.000 0.953 214 L HN 0.011 nan 8.230 nan 0.000 0.452 215 S N -0.529 115.193 115.700 0.037 0.000 2.429 215 S HA 0.285 4.755 4.470 -0.000 0.000 0.302 215 S C 1.100 175.651 174.600 -0.081 0.000 1.115 215 S CA -0.648 57.462 58.200 -0.150 0.000 1.095 215 S CB 0.838 63.696 63.200 -0.571 0.000 0.987 215 S HN 0.005 nan 8.310 nan 0.000 0.474 216 L N 7.264 128.439 121.223 -0.080 0.000 1.944 216 L HA 0.013 4.353 4.340 -0.000 0.000 0.218 216 L C -0.688 176.160 176.870 -0.036 0.000 1.075 216 L CA 2.049 56.867 54.840 -0.037 0.000 0.767 216 L CB -2.120 39.919 42.059 -0.034 0.000 0.890 216 L HN 0.491 nan 8.230 nan 0.000 0.434 217 P HA -0.165 nan 4.420 nan 0.000 0.218 217 P C 1.764 179.058 177.300 -0.011 0.000 1.152 217 P CA 1.753 64.825 63.100 -0.045 0.000 0.857 217 P CB -0.070 31.591 31.700 -0.065 0.000 0.787 218 S N -1.346 114.352 115.700 -0.004 0.000 2.507 218 S HA -0.069 4.400 4.470 -0.000 0.000 0.235 218 S C 1.785 176.561 174.600 0.293 0.000 0.988 218 S CA 0.554 58.821 58.200 0.112 0.000 0.944 218 S CB -0.466 62.836 63.200 0.169 0.000 0.762 218 S HN 0.096 nan 8.310 nan 0.000 0.526 219 R N 2.149 122.762 120.500 0.188 0.000 2.094 219 R HA -0.055 4.285 4.340 -0.000 0.000 0.239 219 R C 2.339 178.529 176.300 -0.184 0.000 1.137 219 R CA 1.788 57.898 56.100 0.016 0.000 0.943 219 R CB -1.585 28.695 30.300 -0.032 0.000 0.850 219 R HN 0.545 nan 8.270 nan 0.000 0.433 220 S N 1.218 116.868 115.700 -0.083 0.000 2.584 220 S HA -0.010 4.460 4.470 -0.000 0.000 0.240 220 S C 1.705 176.238 174.600 -0.111 0.000 0.975 220 S CA 0.662 58.800 58.200 -0.103 0.000 0.949 220 S CB -0.350 62.830 63.200 -0.033 0.000 0.761 220 S HN 0.289 nan 8.310 nan 0.000 0.536 221 L N -0.125 121.082 121.223 -0.026 0.000 2.693 221 L HA 0.516 4.856 4.340 -0.000 0.000 0.235 221 L C -0.061 176.838 176.870 0.049 0.000 1.127 221 L CA -0.483 54.371 54.840 0.024 0.000 0.914 221 L CB -0.296 41.803 42.059 0.066 0.000 1.193 221 L HN 0.404 nan 8.230 nan 0.000 0.502 222 F N -3.019 116.697 119.950 -0.389 0.000 2.713 222 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 222 F C 0.123 175.576 175.800 -0.578 0.000 1.141 222 F CA -1.136 56.628 58.000 -0.393 0.000 0.939 222 F CB 0.910 39.838 39.000 -0.119 0.000 1.325 222 F HN -0.118 nan 8.300 nan 0.000 0.453 223 H N -1.010 118.035 119.070 -0.040 0.000 2.735 223 H HA 0.484 5.040 4.556 -0.000 0.000 0.250 223 H C 0.015 175.310 175.328 -0.054 0.000 0.948 223 H CA -0.134 55.816 56.048 -0.163 0.000 1.137 223 H CB 0.555 30.260 29.762 -0.095 0.000 1.440 223 H HN 0.381 nan 8.280 nan 0.000 0.444 224 R N 0.453 121.075 120.500 0.203 0.000 2.873 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.264 224 R C -1.282 175.279 176.300 0.435 0.000 1.026 224 R CA -0.834 55.385 56.100 0.197 0.000 1.002 224 R CB 2.289 32.489 30.300 -0.168 0.000 1.174 224 R HN 0.213 nan 8.270 nan 0.000 0.488 225 A N 1.090 124.219 122.820 0.514 0.000 2.520 225 A HA 0.627 4.946 4.320 -0.000 0.000 0.298 225 A C -1.426 176.363 177.584 0.342 0.000 1.051 225 A CA -0.583 51.704 52.037 0.417 0.000 0.690 225 A CB 1.728 20.936 19.000 0.345 0.000 1.281 225 A HN 0.345 nan 8.150 nan 0.000 0.402 226 V N 1.510 121.601 119.914 0.295 0.000 2.680 226 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 226 V C -1.115 175.114 176.094 0.225 0.000 1.052 226 V CA -0.502 61.934 62.300 0.228 0.000 0.908 226 V CB 1.629 33.711 31.823 0.433 0.000 1.001 226 V HN 0.711 nan 8.190 nan 0.000 0.431 227 L N 4.069 125.401 121.223 0.181 0.000 2.471 227 L HA 0.483 4.823 4.340 -0.000 0.000 0.263 227 L C -0.289 176.686 176.870 0.175 0.000 0.985 227 L CA -0.062 54.849 54.840 0.119 0.000 0.868 227 L CB 1.689 43.767 42.059 0.032 0.000 1.203 227 L HN 0.645 nan 8.230 nan 0.000 0.429 228 Q N 1.393 121.330 119.800 0.227 0.000 2.278 228 Q HA 0.497 4.836 4.340 -0.000 0.000 0.257 228 Q C 0.419 176.510 176.000 0.152 0.000 0.928 228 Q CA -0.611 55.360 55.803 0.281 0.000 0.932 228 Q CB 1.403 30.373 28.738 0.387 0.000 1.221 228 Q HN 0.553 nan 8.270 nan 0.000 0.434 229 S N 0.768 116.550 115.700 0.136 0.000 3.581 229 S HA -0.172 4.297 4.470 -0.000 0.000 0.354 229 S C 0.002 174.759 174.600 0.262 0.000 1.059 229 S CA 0.678 58.984 58.200 0.176 0.000 1.060 229 S CB -1.091 62.181 63.200 0.121 0.000 0.908 229 S HN 0.993 nan 8.310 nan 0.000 0.475 230 G N -0.629 108.279 108.800 0.180 0.000 2.616 230 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 230 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 230 G C -0.876 174.072 174.900 0.080 0.000 1.489 230 G CA 0.222 45.480 45.100 0.265 0.000 0.836 230 G HN 0.825 nan 8.290 nan 0.000 0.527 231 T N -1.550 112.979 114.554 -0.041 0.000 2.812 231 T HA 0.782 5.132 4.350 -0.000 0.000 0.294 231 T C -2.425 172.121 174.700 -0.257 0.000 1.159 231 T CA -1.299 60.712 62.100 -0.147 0.000 1.008 231 T CB 2.880 71.643 68.868 -0.175 0.000 1.289 231 T HN 0.297 nan 8.240 nan 0.000 0.514 232 P HA 0.088 nan 4.420 nan 0.000 0.240 232 P C 0.705 177.848 177.300 -0.262 0.000 1.190 232 P CA 0.426 63.397 63.100 -0.215 0.000 0.781 232 P CB 0.081 31.705 31.700 -0.127 0.000 0.931 233 N N -0.182 118.361 118.700 -0.263 0.000 2.325 233 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 233 N C 1.194 176.524 175.510 -0.300 0.000 1.088 233 N CA 0.157 53.066 53.050 -0.235 0.000 0.879 233 N CB -0.655 37.735 38.487 -0.161 0.000 0.983 233 N HN -0.081 nan 8.380 nan 0.000 0.471 234 G N 2.266 110.804 108.800 -0.436 0.000 2.418 234 G HA2 0.080 4.040 3.960 -0.000 0.000 0.276 234 G HA3 0.080 4.040 3.960 -0.000 0.000 0.276 234 G C -1.123 173.509 174.900 -0.447 0.000 1.442 234 G CA -0.215 44.598 45.100 -0.478 0.000 1.066 234 G HN 0.170 nan 8.290 nan 0.000 0.553 235 P HA 0.039 nan 4.420 nan 0.000 0.235 235 P C 1.113 178.326 177.300 -0.145 0.000 1.177 235 P CA 1.062 63.999 63.100 -0.272 0.000 0.785 235 P CB 0.120 31.615 31.700 -0.341 0.000 0.885 236 W N -1.741 119.469 121.300 -0.150 0.000 2.868 236 W HA 0.608 5.268 4.660 -0.000 0.000 0.320 236 W C 0.652 177.256 176.519 0.142 0.000 1.076 236 W CA 0.329 57.667 57.345 -0.011 0.000 1.576 236 W CB -0.544 28.953 29.460 0.061 0.000 1.030 236 W HN -0.169 nan 8.180 nan 0.000 0.558 237 A N 1.964 124.524 122.820 -0.434 0.000 2.275 237 A HA 0.297 4.617 4.320 -0.000 0.000 0.212 237 A C 0.746 178.241 177.584 -0.150 0.000 1.201 237 A CA 1.310 53.228 52.037 -0.199 0.000 0.843 237 A CB -0.699 17.862 19.000 -0.733 0.000 0.873 237 A HN 0.198 nan 8.150 nan 0.000 0.492 238 T N -3.238 111.225 114.554 -0.152 0.000 2.853 238 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 238 T C -0.689 173.948 174.700 -0.104 0.000 1.307 238 T CA -0.079 61.926 62.100 -0.158 0.000 1.019 238 T CB 1.313 70.092 68.868 -0.148 0.000 1.264 238 T HN 1.003 nan 8.240 nan 0.000 0.497 239 V N -1.134 118.722 119.914 -0.097 0.000 3.102 239 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 239 V C 0.176 176.234 176.094 -0.059 0.000 1.135 239 V CA -0.741 61.515 62.300 -0.073 0.000 1.022 239 V CB 1.435 33.209 31.823 -0.082 0.000 1.056 239 V HN 1.412 nan 8.190 nan 0.000 0.436 240 S N 1.387 117.059 115.700 -0.047 0.000 2.655 240 S HA 0.726 5.195 4.470 -0.000 0.000 0.265 240 S C 1.359 175.943 174.600 -0.027 0.000 1.240 240 S CA -0.014 58.166 58.200 -0.033 0.000 0.986 240 S CB 1.181 64.364 63.200 -0.028 0.000 0.985 240 S HN 1.866 nan 8.310 nan 0.000 0.562 241 A N 1.191 124.001 122.820 -0.016 0.000 1.851 241 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 241 A C 2.292 179.868 177.584 -0.013 0.000 1.195 241 A CA 1.869 53.901 52.037 -0.009 0.000 0.622 241 A CB -2.034 16.964 19.000 -0.003 0.000 0.831 241 A HN 1.179 nan 8.150 nan 0.000 0.444 242 G N -0.745 108.047 108.800 -0.015 0.000 2.513 242 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 242 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 242 G C 1.512 176.398 174.900 -0.023 0.000 1.160 242 G CA 1.225 46.315 45.100 -0.016 0.000 0.767 242 G HN 0.503 nan 8.290 nan 0.000 0.571 243 E N 0.552 120.733 120.200 -0.032 0.000 2.152 243 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 243 E C 2.958 179.524 176.600 -0.056 0.000 0.983 243 E CA 0.812 57.184 56.400 -0.046 0.000 0.818 243 E CB -0.275 29.390 29.700 -0.059 0.000 0.758 243 E HN 0.343 nan 8.360 nan 0.000 0.467 244 A N 1.566 124.361 122.820 -0.043 0.000 1.851 244 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 244 A C 2.245 179.831 177.584 0.003 0.000 1.195 244 A CA 2.023 54.046 52.037 -0.023 0.000 0.622 244 A CB -0.627 18.374 19.000 0.001 0.000 0.831 244 A HN 0.195 nan 8.150 nan 0.000 0.444 245 R N -0.594 119.904 120.500 -0.004 0.000 2.094 245 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 245 R C 2.472 178.771 176.300 -0.002 0.000 1.137 245 R CA 1.932 58.030 56.100 -0.003 0.000 0.943 245 R CB -0.395 29.900 30.300 -0.009 0.000 0.850 245 R HN 0.504 nan 8.270 nan 0.000 0.433 246 R N 0.583 121.075 120.500 -0.013 0.000 2.117 246 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 246 R C 1.898 178.192 176.300 -0.009 0.000 1.143 246 R CA 2.220 58.312 56.100 -0.014 0.000 0.968 246 R CB -0.087 30.199 30.300 -0.023 0.000 0.863 246 R HN 0.338 nan 8.270 nan 0.000 0.444 247 R N -0.642 119.844 120.500 -0.024 0.000 2.240 247 R HA 0.145 4.485 4.340 -0.000 0.000 0.203 247 R C 2.123 178.517 176.300 0.157 0.000 1.011 247 R CA 0.705 56.797 56.100 -0.013 0.000 1.007 247 R CB -0.075 30.084 30.300 -0.234 0.000 0.911 247 R HN 0.178 nan 8.270 nan 0.000 0.468 248 A N 1.309 124.214 122.820 0.142 0.000 1.826 248 A HA -0.165 4.154 4.320 -0.000 0.000 0.214 248 A C 2.327 179.921 177.584 0.016 0.000 1.212 248 A CA 1.907 54.008 52.037 0.106 0.000 0.605 248 A CB -1.295 17.711 19.000 0.011 0.000 0.861 248 A HN 0.400 nan 8.150 nan 0.000 0.447 249 T N -1.081 113.471 114.554 -0.005 0.000 2.665 249 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 249 T C 1.800 176.497 174.700 -0.006 0.000 1.035 249 T CA 1.875 63.964 62.100 -0.018 0.000 1.151 249 T CB -0.749 68.110 68.868 -0.015 0.000 0.862 249 T HN 0.401 nan 8.240 nan 0.000 0.438 250 L N 0.982 122.213 121.223 0.013 0.000 2.012 250 L HA 0.123 4.463 4.340 -0.000 0.000 0.210 250 L C 2.459 179.337 176.870 0.014 0.000 1.073 250 L CA 1.840 56.688 54.840 0.013 0.000 0.748 250 L CB -1.196 40.876 42.059 0.022 0.000 0.891 250 L HN 0.393 nan 8.230 nan 0.000 0.431 251 L N -0.135 121.122 121.223 0.058 0.000 2.012 251 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 251 L C 2.556 179.405 176.870 -0.034 0.000 1.073 251 L CA 2.134 57.000 54.840 0.044 0.000 0.748 251 L CB -0.846 41.268 42.059 0.091 0.000 0.891 251 L HN 0.360 nan 8.230 nan 0.000 0.431 252 A N -0.261 122.532 122.820 -0.045 0.000 1.859 252 A HA -0.333 3.987 4.320 -0.000 0.000 0.217 252 A C 2.472 180.025 177.584 -0.052 0.000 1.198 252 A CA 2.291 54.294 52.037 -0.056 0.000 0.629 252 A CB -0.895 18.070 19.000 -0.059 0.000 0.830 252 A HN 0.520 nan 8.150 nan 0.000 0.446 253 R N -0.663 119.809 120.500 -0.047 0.000 2.113 253 R HA -0.161 4.179 4.340 -0.000 0.000 0.244 253 R C 2.032 178.282 176.300 -0.084 0.000 1.142 253 R CA 1.881 57.951 56.100 -0.049 0.000 0.953 253 R CB -0.533 29.745 30.300 -0.037 0.000 0.860 253 R HN 0.587 nan 8.270 nan 0.000 0.438 254 L N -0.168 120.970 121.223 -0.141 0.000 2.353 254 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 254 L C 1.874 178.571 176.870 -0.289 0.000 1.133 254 L CA 0.516 55.179 54.840 -0.296 0.000 0.798 254 L CB -0.007 41.689 42.059 -0.605 0.000 0.922 254 L HN 0.110 nan 8.230 nan 0.000 0.445 255 V N -0.688 119.143 119.914 -0.138 0.000 3.578 255 V HA 0.251 4.370 4.120 -0.000 0.000 0.290 255 V C 1.361 177.449 176.094 -0.010 0.000 1.376 255 V CA 0.890 63.172 62.300 -0.030 0.000 1.083 255 V CB 0.347 32.176 31.823 0.009 0.000 0.911 255 V HN 0.645 nan 8.190 nan 0.000 0.433 256 G N -0.224 108.559 108.800 -0.028 0.000 2.141 256 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 256 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 256 G C 0.163 175.058 174.900 -0.009 0.000 0.982 256 G CA 0.056 45.149 45.100 -0.012 0.000 0.662 256 G HN 0.486 nan 8.290 nan 0.000 0.527 257 c N 2.988 121.578 118.600 -0.015 0.000 2.264 257 c HA 0.666 5.236 4.570 -0.000 0.000 0.324 257 c C -1.130 172.949 174.090 -0.018 0.000 1.267 257 c CA -1.432 54.890 56.329 -0.011 0.000 1.618 257 c CB 1.337 43.843 42.510 -0.007 0.000 2.278 257 c HN 0.459 nan 8.230 nan 0.000 0.499 258 P HA 0.354 nan 4.420 nan 0.000 0.278 258 P C -2.781 174.516 177.300 -0.006 0.000 1.258 258 P CA -1.420 61.676 63.100 -0.006 0.000 0.811 258 P CB 0.488 32.185 31.700 -0.005 0.000 1.063 259 P HA 0.301 nan 4.420 nan 0.000 0.284 259 P C 0.432 177.732 177.300 -0.001 0.000 1.253 259 P CA 0.695 63.794 63.100 -0.001 0.000 0.800 259 P CB 0.461 32.163 31.700 0.002 0.000 0.961 260 G N 2.013 110.812 108.800 -0.001 0.000 2.681 260 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.220 260 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.220 260 G C 0.300 175.199 174.900 -0.002 0.000 1.353 260 G CA -0.350 44.750 45.100 -0.001 0.000 0.872 260 G HN 0.715 nan 8.290 nan 0.000 0.557 261 G N -0.002 108.797 108.800 -0.002 0.000 3.782 261 G HA2 0.722 4.682 3.960 -0.000 0.000 0.288 261 G HA3 0.722 4.682 3.960 -0.000 0.000 0.288 261 G C 0.727 175.626 174.900 -0.002 0.000 1.300 261 G CA 1.385 46.484 45.100 -0.002 0.000 1.261 261 G HN 1.697 nan 8.290 nan 0.000 0.591 262 A N -0.017 122.801 122.820 -0.003 0.000 2.495 262 A HA 0.971 5.290 4.320 -0.000 0.000 0.260 262 A C 0.970 178.552 177.584 -0.003 0.000 1.608 262 A CA 0.364 52.400 52.037 -0.002 0.000 0.834 262 A CB 0.138 19.137 19.000 -0.002 0.000 1.526 262 A HN 1.852 nan 8.150 nan 0.000 0.578 263 G N -4.630 104.168 108.800 -0.003 0.000 2.347 263 G HA2 0.489 4.448 3.960 -0.000 0.000 0.477 263 G HA3 0.489 4.448 3.960 -0.000 0.000 0.477 263 G C 0.754 175.652 174.900 -0.004 0.000 1.349 263 G CA 0.479 45.577 45.100 -0.004 0.000 1.000 263 G HN 2.459 nan 8.290 nan 0.000 0.605 264 G N -0.693 108.104 108.800 -0.005 0.000 2.225 264 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.267 264 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.267 264 G C 0.210 175.108 174.900 -0.003 0.000 1.024 264 G CA 1.147 46.245 45.100 -0.004 0.000 0.784 264 G HN 1.607 nan 8.290 nan 0.000 0.507 265 N N 0.097 118.795 118.700 -0.004 0.000 2.609 265 N HA 0.252 4.991 4.740 -0.000 0.000 0.268 265 N C 0.487 175.995 175.510 -0.004 0.000 1.106 265 N CA -0.382 52.667 53.050 -0.001 0.000 0.823 265 N CB 1.111 39.599 38.487 0.001 0.000 1.263 265 N HN -0.018 nan 8.380 nan 0.000 0.533 266 D N 1.096 121.493 120.400 -0.005 0.000 2.144 266 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 266 D C 1.341 177.638 176.300 -0.006 0.000 0.984 266 D CA 1.572 55.565 54.000 -0.011 0.000 0.834 266 D CB 0.145 40.937 40.800 -0.014 0.000 0.955 266 D HN 0.537 nan 8.370 nan 0.000 0.465 267 T N 1.384 115.940 114.554 0.004 0.000 2.684 267 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 267 T C 1.800 176.509 174.700 0.015 0.000 1.036 267 T CA 1.232 63.340 62.100 0.013 0.000 1.148 267 T CB -0.307 68.570 68.868 0.014 0.000 0.863 267 T HN 0.333 nan 8.240 nan 0.000 0.436 268 E N 0.846 121.052 120.200 0.009 0.000 2.110 268 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 268 E C 2.261 178.867 176.600 0.010 0.000 0.988 268 E CA 0.678 57.084 56.400 0.010 0.000 0.804 268 E CB -0.331 29.372 29.700 0.006 0.000 0.745 268 E HN 0.375 nan 8.360 nan 0.000 0.458 269 L N 1.256 122.480 121.223 0.001 0.000 1.989 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 269 L C 2.321 179.190 176.870 -0.002 0.000 1.071 269 L CA 1.169 56.004 54.840 -0.009 0.000 0.749 269 L CB -0.163 41.880 42.059 -0.025 0.000 0.890 269 L HN 0.169 nan 8.230 nan 0.000 0.431 270 I N -0.137 120.435 120.570 0.004 0.000 2.315 270 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 270 I C 2.842 179.024 176.117 0.110 0.000 1.117 270 I CA 1.254 62.584 61.300 0.049 0.000 1.404 270 I CB -1.676 36.362 38.000 0.063 0.000 1.071 270 I HN 0.283 nan 8.210 nan 0.000 0.419 271 A N 0.846 123.704 122.820 0.065 0.000 1.883 271 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 271 A C 2.698 180.313 177.584 0.051 0.000 1.186 271 A CA 2.111 54.180 52.037 0.054 0.000 0.624 271 A CB -1.399 17.620 19.000 0.032 0.000 0.822 271 A HN 0.585 nan 8.150 nan 0.000 0.444 272 c N -0.666 117.958 118.600 0.040 0.000 2.413 272 c HA -0.083 4.487 4.570 -0.000 0.000 0.276 272 c C 2.602 176.723 174.090 0.052 0.000 1.236 272 c CA 1.280 57.629 56.329 0.033 0.000 1.735 272 c CB -1.616 40.905 42.510 0.019 0.000 2.031 272 c HN 0.597 nan 8.230 nan 0.000 0.474 273 L N 0.158 121.430 121.223 0.081 0.000 2.127 273 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 273 L C 2.929 179.907 176.870 0.181 0.000 1.089 273 L CA 1.524 56.445 54.840 0.135 0.000 0.757 273 L CB -0.599 41.556 42.059 0.160 0.000 0.899 273 L HN 0.351 nan 8.230 nan 0.000 0.434 274 R N -0.815 119.784 120.500 0.164 0.000 2.285 274 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 274 R C 2.045 178.344 176.300 -0.002 0.000 1.068 274 R CA 1.498 57.624 56.100 0.044 0.000 1.004 274 R CB -0.064 30.253 30.300 0.027 0.000 0.873 274 R HN 0.466 nan 8.270 nan 0.000 0.467 275 T N -2.119 112.445 114.554 0.018 0.000 3.044 275 T HA 0.144 4.494 4.350 -0.000 0.000 0.250 275 T C 0.622 175.322 174.700 -0.001 0.000 1.081 275 T CA -0.364 61.736 62.100 -0.001 0.000 1.040 275 T CB 0.253 69.124 68.868 0.005 0.000 0.962 275 T HN -0.059 nan 8.240 nan 0.000 0.506 276 R N 2.783 123.293 120.500 0.017 0.000 2.438 276 R HA 0.323 4.662 4.340 -0.000 0.000 0.287 276 R C -2.619 173.681 176.300 -0.000 0.000 1.077 276 R CA -2.085 54.025 56.100 0.018 0.000 1.034 276 R CB -0.307 30.017 30.300 0.038 0.000 0.993 276 R HN 0.290 nan 8.270 nan 0.000 0.459 277 P HA -0.098 nan 4.420 nan 0.000 0.263 277 P C 0.476 177.740 177.300 -0.060 0.000 1.175 277 P CA 0.351 63.419 63.100 -0.054 0.000 0.761 277 P CB 0.437 32.117 31.700 -0.033 0.000 0.794 278 A N 3.632 126.344 122.820 -0.181 0.000 1.896 278 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 278 A C 2.183 179.761 177.584 -0.011 0.000 1.206 278 A CA 2.390 54.315 52.037 -0.186 0.000 0.647 278 A CB -1.457 16.930 19.000 -1.022 0.000 0.828 278 A HN 0.555 nan 8.150 nan 0.000 0.455 279 Q N -0.211 119.546 119.800 -0.073 0.000 2.297 279 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 279 Q C 1.184 177.272 176.000 0.147 0.000 0.981 279 Q CA 1.959 57.900 55.803 0.230 0.000 0.876 279 Q CB -0.449 28.412 28.738 0.206 0.000 0.921 279 Q HN 0.672 nan 8.270 nan 0.000 0.446 280 D N -1.002 119.450 120.400 0.087 0.000 2.117 280 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 280 D C 1.330 177.690 176.300 0.099 0.000 0.982 280 D CA 0.785 54.838 54.000 0.088 0.000 0.828 280 D CB 0.011 40.860 40.800 0.081 0.000 0.967 280 D HN 0.216 nan 8.370 nan 0.000 0.464 281 L N 0.345 121.612 121.223 0.073 0.000 1.994 281 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 281 L C 2.519 179.383 176.870 -0.010 0.000 1.071 281 L CA 0.950 55.782 54.840 -0.013 0.000 0.745 281 L CB -1.291 40.651 42.059 -0.195 0.000 0.892 281 L HN 0.011 nan 8.230 nan 0.000 0.431 282 V N 0.067 120.043 119.914 0.103 0.000 2.453 282 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 282 V C 2.268 178.397 176.094 0.059 0.000 1.068 282 V CA 1.664 64.049 62.300 0.142 0.000 1.070 282 V CB -0.598 31.426 31.823 0.335 0.000 0.664 282 V HN 0.403 nan 8.190 nan 0.000 0.461 283 D N -1.056 119.352 120.400 0.013 0.000 2.182 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 283 D C 1.887 177.939 176.300 -0.412 0.000 0.986 283 D CA 1.299 55.210 54.000 -0.150 0.000 0.847 283 D CB -0.173 40.515 40.800 -0.186 0.000 0.942 283 D HN 0.528 nan 8.370 nan 0.000 0.467 284 H N -0.092 118.898 119.070 -0.134 0.000 2.586 284 H HA 0.138 4.694 4.556 -0.000 0.000 0.273 284 H C 1.579 176.757 175.328 -0.250 0.000 0.997 284 H CA -0.078 55.804 56.048 -0.276 0.000 1.177 284 H CB 0.674 30.397 29.762 -0.066 0.000 1.471 284 H HN 0.293 nan 8.280 nan 0.000 0.538 285 E N 0.696 120.802 120.200 -0.156 0.000 2.095 285 E HA -0.238 4.112 4.350 -0.000 0.000 0.212 285 E C 0.861 177.265 176.600 -0.327 0.000 1.044 285 E CA 1.633 57.878 56.400 -0.258 0.000 0.857 285 E CB -0.057 29.279 29.700 -0.607 0.000 0.764 285 E HN 0.495 nan 8.360 nan 0.000 0.462 286 W N -0.640 120.635 121.300 -0.042 0.000 3.077 286 W HA -0.001 4.659 4.660 -0.000 0.000 0.245 286 W C 1.236 177.861 176.519 0.177 0.000 1.316 286 W CA 0.168 57.514 57.345 0.002 0.000 1.537 286 W CB 0.035 29.472 29.460 -0.039 0.000 1.131 286 W HN 0.253 nan 8.180 nan 0.000 0.695 287 H N -0.458 118.754 119.070 0.237 0.000 2.517 287 H HA 0.070 4.626 4.556 -0.000 0.000 0.282 287 H C 1.575 176.974 175.328 0.118 0.000 1.023 287 H CA 0.182 56.343 56.048 0.188 0.000 1.169 287 H CB 0.286 30.189 29.762 0.235 0.000 1.454 287 H HN 0.145 nan 8.280 nan 0.000 0.556 288 V N -2.115 117.908 119.914 0.182 0.000 3.528 288 V HA 0.216 4.336 4.120 -0.000 0.000 0.294 288 V C 0.519 176.619 176.094 0.010 0.000 1.404 288 V CA -0.261 62.082 62.300 0.071 0.000 1.065 288 V CB -0.202 31.639 31.823 0.030 0.000 0.904 288 V HN 0.136 nan 8.190 nan 0.000 0.435 289 L N 2.261 123.517 121.223 0.054 0.000 2.483 289 L HA 0.245 4.585 4.340 -0.000 0.000 0.276 289 L C -0.658 176.223 176.870 0.018 0.000 1.213 289 L CA -0.854 54.001 54.840 0.026 0.000 0.843 289 L CB 0.810 42.915 42.059 0.076 0.000 1.107 289 L HN 0.157 nan 8.230 nan 0.000 0.487 290 P HA 0.031 nan 4.420 nan 0.000 0.240 290 P C -0.527 176.773 177.300 -0.001 0.000 1.190 290 P CA 0.594 63.691 63.100 -0.005 0.000 0.781 290 P CB 0.701 32.391 31.700 -0.017 0.000 0.931 291 Q N -1.287 118.513 119.800 -0.001 0.000 2.511 291 Q HA 0.324 4.663 4.340 -0.000 0.000 0.289 291 Q C -0.735 175.263 176.000 -0.004 0.000 1.021 291 Q CA -0.738 55.062 55.803 -0.004 0.000 0.785 291 Q CB 1.433 30.164 28.738 -0.011 0.000 1.472 291 Q HN -0.081 nan 8.270 nan 0.000 0.411 292 E N 0.836 121.031 120.200 -0.008 0.000 2.384 292 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 292 E C -0.920 175.663 176.600 -0.028 0.000 1.012 292 E CA 0.228 56.620 56.400 -0.014 0.000 0.901 292 E CB 0.458 30.150 29.700 -0.014 0.000 0.967 292 E HN 0.631 nan 8.360 nan 0.000 0.435 293 S N 3.164 118.838 115.700 -0.043 0.000 2.656 293 S HA 0.564 5.034 4.470 -0.000 0.000 0.265 293 S C -0.746 173.801 174.600 -0.087 0.000 1.132 293 S CA -0.961 57.203 58.200 -0.060 0.000 0.819 293 S CB 0.347 63.510 63.200 -0.061 0.000 1.119 293 S HN 0.566 nan 8.310 nan 0.000 0.476 294 I N -3.276 117.238 120.570 -0.094 0.000 2.865 294 I HA 0.794 4.964 4.170 -0.000 0.000 0.302 294 I C -0.490 175.548 176.117 -0.130 0.000 1.140 294 I CA -1.186 60.058 61.300 -0.094 0.000 1.021 294 I CB 1.432 39.424 38.000 -0.013 0.000 1.233 294 I HN 0.785 nan 8.210 nan 0.000 0.427 295 F N 1.665 121.375 119.950 -0.400 0.000 3.027 295 F HA -0.205 4.322 4.527 -0.000 0.000 0.276 295 F C -0.069 175.212 175.800 -0.865 0.000 0.967 295 F CA 0.803 58.345 58.000 -0.763 0.000 0.929 295 F CB -0.741 37.722 39.000 -0.896 0.000 0.873 295 F HN 0.731 nan 8.300 nan 0.000 0.787 296 R N 0.781 120.754 120.500 -0.878 0.000 2.548 296 R HA 0.677 5.017 4.340 -0.000 0.000 0.280 296 R C -1.547 174.295 176.300 -0.764 0.000 1.061 296 R CA -0.402 55.335 56.100 -0.604 0.000 0.915 296 R CB 1.007 31.172 30.300 -0.225 0.000 1.210 296 R HN -0.023 nan 8.270 nan 0.000 0.442 297 F N 1.002 121.096 119.950 0.239 0.000 2.551 297 F HA 0.383 4.910 4.527 -0.000 0.000 0.316 297 F C 1.217 177.057 175.800 0.067 0.000 1.089 297 F CA -0.853 57.316 58.000 0.280 0.000 0.915 297 F CB 2.386 41.606 39.000 0.367 0.000 1.186 297 F HN 0.473 nan 8.300 nan 0.000 0.456 298 S N 0.645 116.380 115.700 0.058 0.000 2.355 298 S HA -0.014 4.455 4.470 -0.000 0.000 0.222 298 S C -0.042 174.134 174.600 -0.707 0.000 1.031 298 S CA 1.124 59.108 58.200 -0.360 0.000 0.993 298 S CB -0.210 62.705 63.200 -0.475 0.000 0.859 298 S HN 0.348 nan 8.310 nan 0.000 0.453 299 F N 1.465 121.419 119.950 0.007 0.000 2.460 299 F HA 0.612 5.139 4.527 -0.000 0.000 0.341 299 F C -0.100 175.688 175.800 -0.020 0.000 1.130 299 F CA -0.918 57.100 58.000 0.031 0.000 0.962 299 F CB 1.729 40.758 39.000 0.048 0.000 1.171 299 F HN -0.081 nan 8.300 nan 0.000 0.436 300 V N 0.849 120.674 119.914 -0.148 0.000 3.258 300 V HA 0.709 4.829 4.120 -0.000 0.000 0.299 300 V C -2.990 172.631 176.094 -0.789 0.000 1.376 300 V CA -3.028 58.767 62.300 -0.841 0.000 1.063 300 V CB 1.891 33.492 31.823 -0.369 0.000 1.103 300 V HN 0.280 nan 8.190 nan 0.000 0.451 301 P HA 0.151 nan 4.420 nan 0.000 0.264 301 P C -0.582 176.580 177.300 -0.229 0.000 1.179 301 P CA 0.518 63.333 63.100 -0.476 0.000 0.763 301 P CB 0.530 31.901 31.700 -0.547 0.000 0.806 302 V N 4.534 124.399 119.914 -0.082 0.000 2.715 302 V HA 0.260 4.379 4.120 -0.000 0.000 0.310 302 V C -0.325 175.756 176.094 -0.021 0.000 1.054 302 V CA -0.939 61.334 62.300 -0.045 0.000 0.928 302 V CB 2.304 34.128 31.823 0.001 0.000 1.007 302 V HN 0.143 nan 8.190 nan 0.000 0.437 303 V N 7.000 126.901 119.914 -0.020 0.000 2.287 303 V HA 0.170 4.290 4.120 -0.000 0.000 0.246 303 V C 0.687 176.792 176.094 0.019 0.000 1.165 303 V CA 0.297 62.599 62.300 0.004 0.000 1.088 303 V CB 0.038 31.855 31.823 -0.010 0.000 1.242 303 V HN 1.089 nan 8.190 nan 0.000 0.497 304 D N 2.482 122.907 120.400 0.041 0.000 2.271 304 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 304 D C 1.577 177.905 176.300 0.046 0.000 0.967 304 D CA 0.906 54.933 54.000 0.045 0.000 0.867 304 D CB 0.022 40.861 40.800 0.065 0.000 0.960 304 D HN 0.682 nan 8.370 nan 0.000 0.509 305 G N 0.487 109.319 108.800 0.055 0.000 2.165 305 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 305 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 305 G C 0.032 174.965 174.900 0.054 0.000 1.035 305 G CA 0.534 45.661 45.100 0.045 0.000 0.744 305 G HN 0.547 nan 8.290 nan 0.000 0.501 306 D N -2.127 118.323 120.400 0.084 0.000 2.880 306 D HA 0.294 4.934 4.640 -0.000 0.000 0.168 306 D C 1.583 177.963 176.300 0.132 0.000 1.452 306 D CA 0.269 54.326 54.000 0.095 0.000 1.553 306 D CB -0.562 40.305 40.800 0.113 0.000 1.386 306 D HN 0.080 nan 8.370 nan 0.000 0.208 307 F N 1.241 121.211 119.950 0.034 0.000 2.161 307 F HA 0.204 4.731 4.527 -0.000 0.000 0.300 307 F C 0.141 175.960 175.800 0.032 0.000 1.089 307 F CA 1.214 59.238 58.000 0.041 0.000 1.282 307 F CB 0.162 39.188 39.000 0.044 0.000 1.010 307 F HN 0.006 nan 8.300 nan 0.000 0.485 308 L N 0.281 121.664 121.223 0.266 0.000 2.325 308 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 308 L C 1.219 178.138 176.870 0.083 0.000 1.004 308 L CA -0.385 54.545 54.840 0.150 0.000 0.823 308 L CB 1.710 43.851 42.059 0.137 0.000 1.236 308 L HN -0.104 nan 8.230 nan 0.000 0.415 309 S N 0.167 115.897 115.700 0.050 0.000 2.453 309 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 309 S C 0.355 174.972 174.600 0.029 0.000 1.005 309 S CA 0.304 58.524 58.200 0.034 0.000 0.949 309 S CB 0.027 63.239 63.200 0.020 0.000 0.774 309 S HN 0.762 nan 8.310 nan 0.000 0.510 310 D N -0.084 120.335 120.400 0.032 0.000 2.713 310 D HA 0.217 4.857 4.640 -0.000 0.000 0.306 310 D C -1.238 175.073 176.300 0.019 0.000 1.299 310 D CA -0.341 53.672 54.000 0.022 0.000 0.823 310 D CB 1.245 42.056 40.800 0.019 0.000 1.353 310 D HN 0.060 nan 8.370 nan 0.000 0.447 311 T N 1.635 116.192 114.554 0.005 0.000 2.939 311 T HA 0.120 4.470 4.350 -0.000 0.000 0.319 311 T C -1.581 173.118 174.700 -0.002 0.000 1.082 311 T CA -0.751 61.344 62.100 -0.009 0.000 1.133 311 T CB 0.416 69.272 68.868 -0.019 0.000 1.019 311 T HN 0.261 nan 8.240 nan 0.000 0.548 312 P HA -0.150 nan 4.420 nan 0.000 0.216 312 P C 1.492 178.782 177.300 -0.017 0.000 1.153 312 P CA 1.019 64.105 63.100 -0.022 0.000 0.858 312 P CB 0.191 31.847 31.700 -0.074 0.000 0.789 313 E N 0.002 120.180 120.200 -0.036 0.000 2.021 313 E HA -0.209 4.140 4.350 -0.000 0.000 0.200 313 E C 2.171 178.778 176.600 0.012 0.000 1.015 313 E CA 1.872 58.258 56.400 -0.023 0.000 0.824 313 E CB -1.253 28.429 29.700 -0.031 0.000 0.762 313 E HN 0.072 nan 8.360 nan 0.000 0.454 314 A N 0.376 123.203 122.820 0.013 0.000 1.927 314 A HA -0.228 4.091 4.320 -0.000 0.000 0.220 314 A C 2.336 179.953 177.584 0.056 0.000 1.185 314 A CA 1.814 53.868 52.037 0.028 0.000 0.639 314 A CB -0.857 18.154 19.000 0.019 0.000 0.820 314 A HN 0.328 nan 8.150 nan 0.000 0.451 315 L N -0.440 120.824 121.223 0.070 0.000 2.005 315 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 315 L C 2.601 179.621 176.870 0.250 0.000 1.072 315 L CA 1.787 56.705 54.840 0.130 0.000 0.744 315 L CB -0.738 41.399 42.059 0.130 0.000 0.895 315 L HN 0.669 nan 8.230 nan 0.000 0.433 316 I N -2.324 118.365 120.570 0.199 0.000 2.916 316 I HA -0.198 3.972 4.170 -0.000 0.000 0.267 316 I C 2.170 178.445 176.117 0.264 0.000 1.263 316 I CA 1.465 62.908 61.300 0.238 0.000 1.471 316 I CB -0.675 37.319 38.000 -0.010 0.000 1.089 316 I HN 0.382 nan 8.210 nan 0.000 0.468 317 N N 1.851 120.645 118.700 0.157 0.000 2.250 317 N HA -0.152 4.588 4.740 -0.000 0.000 0.181 317 N C 1.608 177.183 175.510 0.108 0.000 1.017 317 N CA 1.871 54.988 53.050 0.112 0.000 0.866 317 N CB 0.067 38.592 38.487 0.063 0.000 0.985 317 N HN 0.551 nan 8.380 nan 0.000 0.429 318 T N -2.973 111.632 114.554 0.085 0.000 3.145 318 T HA 0.369 4.719 4.350 -0.000 0.000 0.281 318 T C 0.721 175.370 174.700 -0.086 0.000 1.003 318 T CA -0.428 61.680 62.100 0.013 0.000 0.901 318 T CB 0.223 69.091 68.868 -0.000 0.000 1.112 318 T HN 0.158 nan 8.240 nan 0.000 0.535 319 G N 0.539 109.257 108.800 -0.137 0.000 2.569 319 G HA2 0.367 4.327 3.960 -0.000 0.000 0.249 319 G HA3 0.367 4.327 3.960 -0.000 0.000 0.249 319 G C -0.880 173.405 174.900 -1.026 0.000 1.216 319 G CA -0.409 44.314 45.100 -0.628 0.000 0.845 319 G HN 0.329 nan 8.290 nan 0.000 0.568 320 D N 0.845 120.707 120.400 -0.896 0.000 2.443 320 D HA 0.243 4.883 4.640 -0.000 0.000 0.221 320 D C -0.489 175.418 176.300 -0.655 0.000 1.097 320 D CA -0.462 53.189 54.000 -0.582 0.000 0.865 320 D CB 0.546 41.182 40.800 -0.274 0.000 1.034 320 D HN 0.124 nan 8.370 nan 0.000 0.511 321 F N 1.639 121.607 119.950 0.030 0.000 2.850 321 F HA 0.191 4.717 4.527 -0.000 0.000 0.306 321 F C 1.509 177.333 175.800 0.040 0.000 1.162 321 F CA -0.553 57.470 58.000 0.039 0.000 1.327 321 F CB 0.035 39.067 39.000 0.053 0.000 0.953 321 F HN 0.280 nan 8.300 nan 0.000 0.507 322 Q N 2.990 122.844 119.800 0.090 0.000 3.107 322 Q HA 0.033 4.373 4.340 -0.000 0.000 0.268 322 Q C 0.081 176.121 176.000 0.068 0.000 1.382 322 Q CA 0.837 56.685 55.803 0.074 0.000 0.927 322 Q CB -0.370 28.382 28.738 0.024 0.000 1.755 322 Q HN 0.764 nan 8.270 nan 0.000 0.545 323 D N 0.183 120.640 120.400 0.095 0.000 3.877 323 D HA -0.149 4.491 4.640 -0.000 0.000 0.447 323 D C 0.085 176.442 176.300 0.096 0.000 0.389 323 D CA -0.341 53.704 54.000 0.074 0.000 0.865 323 D CB -1.066 39.760 40.800 0.042 0.000 1.491 323 D HN 0.354 nan 8.370 nan 0.000 0.192 324 L N 1.667 122.968 121.223 0.130 0.000 2.601 324 L HA 0.066 4.405 4.340 -0.000 0.000 0.277 324 L C -0.126 176.856 176.870 0.186 0.000 1.219 324 L CA 0.920 55.850 54.840 0.151 0.000 0.915 324 L CB 0.501 42.682 42.059 0.204 0.000 1.160 324 L HN 0.122 nan 8.230 nan 0.000 0.494 325 Q N 2.845 122.771 119.800 0.210 0.000 2.241 325 Q HA 0.572 4.912 4.340 -0.000 0.000 0.254 325 Q C -1.223 175.087 176.000 0.517 0.000 0.917 325 Q CA -0.284 55.726 55.803 0.346 0.000 0.919 325 Q CB 2.350 31.243 28.738 0.259 0.000 1.237 325 Q HN 0.413 nan 8.270 nan 0.000 0.434 326 V N 3.300 123.465 119.914 0.418 0.000 2.668 326 V HA 0.353 4.472 4.120 -0.000 0.000 0.304 326 V C -1.059 174.936 176.094 -0.166 0.000 1.071 326 V CA -0.778 61.637 62.300 0.191 0.000 0.894 326 V CB 1.847 33.735 31.823 0.108 0.000 1.008 326 V HN 0.686 nan 8.190 nan 0.000 0.425 327 L N 5.482 126.345 121.223 -0.600 0.000 2.325 327 L HA 0.877 5.217 4.340 -0.000 0.000 0.279 327 L C -1.129 175.657 176.870 -0.140 0.000 1.054 327 L CA -0.245 54.232 54.840 -0.604 0.000 0.804 327 L CB 1.727 43.044 42.059 -1.237 0.000 1.200 327 L HN 0.522 nan 8.230 nan 0.000 0.436 328 V N 3.348 123.277 119.914 0.026 0.000 3.049 328 V HA 0.929 5.049 4.120 -0.000 0.000 0.309 328 V C 0.108 176.083 176.094 -0.198 0.000 1.148 328 V CA -0.132 62.163 62.300 -0.009 0.000 0.990 328 V CB 1.871 33.635 31.823 -0.098 0.000 1.039 328 V HN 1.012 nan 8.190 nan 0.000 0.430 329 G N 0.928 109.406 108.800 -0.536 0.000 2.490 329 G HA2 0.712 4.671 3.960 -0.000 0.000 0.308 329 G HA3 0.712 4.671 3.960 -0.000 0.000 0.308 329 G C -2.014 172.441 174.900 -0.742 0.000 1.286 329 G CA -0.209 43.964 45.100 -1.545 0.000 0.825 329 G HN 0.847 nan 8.290 nan 0.000 0.479 330 V N -1.118 118.465 119.914 -0.551 0.000 3.264 330 V HA 0.646 4.766 4.120 -0.000 0.000 0.294 330 V C -0.274 175.937 176.094 0.195 0.000 1.429 330 V CA -0.225 62.043 62.300 -0.053 0.000 1.053 330 V CB 1.990 33.750 31.823 -0.104 0.000 1.128 330 V HN 1.412 nan 8.190 nan 0.000 0.452 331 V N -0.030 120.028 119.914 0.240 0.000 3.193 331 V HA 0.594 4.713 4.120 -0.000 0.000 0.320 331 V C 1.168 177.422 176.094 0.266 0.000 1.112 331 V CA -0.353 62.148 62.300 0.334 0.000 1.026 331 V CB 1.332 33.344 31.823 0.314 0.000 1.128 331 V HN 0.829 nan 8.190 nan 0.000 0.452 332 K N 0.160 120.734 120.400 0.290 0.000 2.001 332 K HA -0.145 4.175 4.320 -0.000 0.000 0.214 332 K C 0.054 176.772 176.600 0.196 0.000 1.050 332 K CA 2.446 58.865 56.287 0.221 0.000 0.934 332 K CB -0.142 32.485 32.500 0.212 0.000 0.718 332 K HN 0.977 nan 8.250 nan 0.000 0.443 333 D N 0.701 121.224 120.400 0.205 0.000 2.634 333 D HA 0.070 4.710 4.640 -0.000 0.000 0.318 333 D C 0.348 176.777 176.300 0.214 0.000 1.226 333 D CA -0.201 53.915 54.000 0.194 0.000 0.899 333 D CB 1.190 42.102 40.800 0.187 0.000 1.025 333 D HN 0.049 nan 8.370 nan 0.000 0.501 334 E N 1.110 121.443 120.200 0.222 0.000 2.055 334 E HA -0.241 4.109 4.350 -0.000 0.000 0.209 334 E C 2.270 179.057 176.600 0.311 0.000 1.036 334 E CA 1.666 58.237 56.400 0.284 0.000 0.849 334 E CB -0.606 29.215 29.700 0.201 0.000 0.767 334 E HN 0.529 nan 8.360 nan 0.000 0.461 335 G N 1.430 110.347 108.800 0.194 0.000 2.485 335 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G C 1.772 176.853 174.900 0.302 0.000 1.115 335 G CA 1.782 47.006 45.100 0.206 0.000 0.751 335 G HN 0.381 nan 8.290 nan 0.000 0.567 336 S N 0.405 116.260 115.700 0.258 0.000 2.377 336 S HA -0.340 4.130 4.470 -0.000 0.000 0.224 336 S C 2.062 176.737 174.600 0.126 0.000 1.042 336 S CA 1.554 59.891 58.200 0.229 0.000 1.086 336 S CB -0.999 62.272 63.200 0.118 0.000 0.995 336 S HN 0.502 nan 8.310 nan 0.000 0.428 337 Y N 2.575 122.775 120.300 -0.168 0.000 2.030 337 Y HA -0.289 4.261 4.550 -0.000 0.000 0.272 337 Y C 1.973 177.719 175.900 -0.258 0.000 1.185 337 Y CA 1.918 59.746 58.100 -0.454 0.000 1.120 337 Y CB -0.950 37.153 38.460 -0.595 0.000 0.955 337 Y HN 0.230 nan 8.280 nan 0.000 0.495 338 F N -0.148 119.814 119.950 0.020 0.000 2.373 338 F HA -0.206 4.320 4.527 -0.000 0.000 0.300 338 F C 2.045 177.821 175.800 -0.040 0.000 1.080 338 F CA 1.013 58.972 58.000 -0.069 0.000 1.417 338 F CB -0.718 38.241 39.000 -0.068 0.000 1.070 338 F HN 0.109 nan 8.300 nan 0.000 0.546 339 L N -0.318 120.964 121.223 0.098 0.000 2.156 339 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 339 L C 2.552 179.447 176.870 0.041 0.000 1.095 339 L CA 0.897 55.678 54.840 -0.099 0.000 0.770 339 L CB -0.909 40.860 42.059 -0.483 0.000 0.914 339 L HN 0.177 nan 8.230 nan 0.000 0.439 340 V N -3.507 116.503 119.914 0.159 0.000 2.490 340 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 340 V C 1.469 177.544 176.094 -0.032 0.000 1.061 340 V CA 1.214 63.611 62.300 0.163 0.000 1.064 340 V CB -1.264 30.666 31.823 0.178 0.000 0.670 340 V HN 0.296 nan 8.190 nan 0.000 0.461 341 Y N 2.491 122.734 120.300 -0.095 0.000 2.871 341 Y HA 0.558 5.108 4.550 -0.000 0.000 0.378 341 Y C 1.596 177.427 175.900 -0.116 0.000 1.069 341 Y CA 0.380 58.391 58.100 -0.148 0.000 1.662 341 Y CB -0.177 38.143 38.460 -0.233 0.000 1.561 341 Y HN 0.485 nan 8.280 nan 0.000 0.483 342 G N -1.436 107.376 108.800 0.020 0.000 2.559 342 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.202 342 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.202 342 G C -0.737 174.181 174.900 0.030 0.000 0.992 342 G CA -0.459 44.645 45.100 0.007 0.000 0.764 342 G HN 0.044 nan 8.290 nan 0.000 0.525 343 V N 3.023 122.979 119.914 0.071 0.000 2.311 343 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 343 V C -1.953 174.316 176.094 0.293 0.000 1.022 343 V CA -1.840 60.537 62.300 0.127 0.000 0.830 343 V CB 1.430 33.250 31.823 -0.004 0.000 1.012 343 V HN 0.113 nan 8.190 nan 0.000 0.452 344 P HA 0.146 nan 4.420 nan 0.000 0.261 344 P C 1.064 178.433 177.300 0.116 0.000 1.173 344 P CA 1.465 64.637 63.100 0.120 0.000 0.760 344 P CB 0.534 32.271 31.700 0.061 0.000 0.783 345 G N 1.752 110.563 108.800 0.018 0.000 2.259 345 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G C -0.171 174.541 174.900 -0.312 0.000 1.001 345 G CA -0.581 44.402 45.100 -0.195 0.000 0.627 345 G HN 0.414 nan 8.290 nan 0.000 0.501 346 F N 1.776 121.727 119.950 0.002 0.000 2.399 346 F HA 0.745 5.271 4.527 -0.000 0.000 0.334 346 F C 0.724 176.614 175.800 0.151 0.000 1.097 346 F CA 0.076 58.103 58.000 0.045 0.000 1.076 346 F CB 2.161 41.216 39.000 0.092 0.000 1.162 346 F HN 0.331 nan 8.300 nan 0.000 0.495 347 S N 1.379 117.338 115.700 0.431 0.000 2.565 347 S HA 0.304 4.774 4.470 -0.000 0.000 0.269 347 S C -0.024 174.878 174.600 0.502 0.000 1.153 347 S CA -0.869 57.570 58.200 0.399 0.000 0.835 347 S CB 1.689 65.029 63.200 0.233 0.000 1.122 347 S HN 0.775 nan 8.310 nan 0.000 0.462 348 K N 0.573 121.135 120.400 0.271 0.000 2.418 348 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 348 K C 0.107 176.692 176.600 -0.026 0.000 1.035 348 K CA 0.832 57.144 56.287 0.042 0.000 1.003 348 K CB -0.146 32.126 32.500 -0.381 0.000 0.793 348 K HN 0.484 nan 8.250 nan 0.000 0.494 349 D N 1.117 121.520 120.400 0.005 0.000 2.333 349 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 349 D C -0.041 176.300 176.300 0.067 0.000 0.984 349 D CA 0.486 54.476 54.000 -0.017 0.000 0.873 349 D CB 0.069 40.839 40.800 -0.051 0.000 0.935 349 D HN 0.467 nan 8.370 nan 0.000 0.521 350 N N -0.778 118.011 118.700 0.148 0.000 2.701 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.290 350 N C 0.328 175.963 175.510 0.208 0.000 1.338 350 N CA -0.613 52.509 53.050 0.120 0.000 0.799 350 N CB 0.741 39.253 38.487 0.041 0.000 1.491 350 N HN -0.313 nan 8.380 nan 0.000 0.540 351 E N -0.434 119.813 120.200 0.079 0.000 2.511 351 E HA 0.002 4.351 4.350 -0.000 0.000 0.196 351 E C -0.515 175.824 176.600 -0.434 0.000 1.066 351 E CA 0.362 56.754 56.400 -0.014 0.000 0.871 351 E CB -0.356 29.339 29.700 -0.008 0.000 0.863 351 E HN 0.616 nan 8.360 nan 0.000 0.520 352 S N 0.832 116.310 115.700 -0.370 0.000 3.550 352 S HA -0.174 4.296 4.470 -0.000 0.000 0.372 352 S C 0.055 174.278 174.600 -0.628 0.000 0.966 352 S CA 0.094 57.936 58.200 -0.596 0.000 1.229 352 S CB -1.122 61.560 63.200 -0.863 0.000 0.917 352 S HN 0.159 nan 8.310 nan 0.000 0.496 353 L N 2.076 123.071 121.223 -0.381 0.000 2.401 353 L HA 0.414 4.753 4.340 -0.000 0.000 0.283 353 L C 0.849 177.545 176.870 -0.289 0.000 1.151 353 L CA -0.284 54.382 54.840 -0.289 0.000 0.942 353 L CB -0.930 41.025 42.059 -0.175 0.000 1.283 353 L HN 0.636 nan 8.230 nan 0.000 0.442 354 I N -0.340 120.009 120.570 -0.368 0.000 2.945 354 I HA 0.421 4.590 4.170 -0.000 0.000 0.292 354 I C 1.021 177.054 176.117 -0.140 0.000 1.093 354 I CA -0.252 60.868 61.300 -0.300 0.000 1.336 354 I CB 0.986 38.744 38.000 -0.404 0.000 1.435 354 I HN 0.556 nan 8.210 nan 0.000 0.593 355 S N 3.920 119.568 115.700 -0.087 0.000 2.634 355 S HA 0.295 4.765 4.470 -0.000 0.000 0.261 355 S C 1.069 175.680 174.600 0.018 0.000 1.271 355 S CA -0.366 57.813 58.200 -0.035 0.000 0.985 355 S CB 1.309 64.496 63.200 -0.020 0.000 0.968 355 S HN 0.869 nan 8.310 nan 0.000 0.568 356 R N 0.401 120.914 120.500 0.022 0.000 2.057 356 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 356 R C 2.607 178.994 176.300 0.145 0.000 1.136 356 R CA 1.349 57.487 56.100 0.063 0.000 0.952 356 R CB -1.164 29.146 30.300 0.017 0.000 0.848 356 R HN 0.859 nan 8.270 nan 0.000 0.430 357 A N 1.026 123.899 122.820 0.089 0.000 1.948 357 A HA -0.276 4.043 4.320 -0.000 0.000 0.220 357 A C 2.050 179.689 177.584 0.092 0.000 1.177 357 A CA 1.640 53.729 52.037 0.085 0.000 0.636 357 A CB -0.532 18.498 19.000 0.050 0.000 0.815 357 A HN 0.478 nan 8.150 nan 0.000 0.449 358 Q N -1.873 117.978 119.800 0.085 0.000 1.993 358 Q HA -0.181 4.158 4.340 -0.000 0.000 0.202 358 Q C 1.986 178.071 176.000 0.142 0.000 0.984 358 Q CA 1.706 57.559 55.803 0.084 0.000 0.837 358 Q CB -0.377 28.381 28.738 0.033 0.000 0.902 358 Q HN 0.762 nan 8.270 nan 0.000 0.423 359 F N 1.280 121.258 119.950 0.047 0.000 2.120 359 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 359 F C 1.715 177.549 175.800 0.058 0.000 1.095 359 F CA 1.039 59.083 58.000 0.073 0.000 1.249 359 F CB -0.109 38.920 39.000 0.048 0.000 0.995 359 F HN 0.035 nan 8.300 nan 0.000 0.480 360 L N 0.531 121.863 121.223 0.181 0.000 2.079 360 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 360 L C 2.767 179.602 176.870 -0.059 0.000 1.081 360 L CA 1.910 56.783 54.840 0.053 0.000 0.752 360 L CB -2.331 39.802 42.059 0.123 0.000 0.896 360 L HN 0.348 nan 8.230 nan 0.000 0.433 361 A N -0.528 122.280 122.820 -0.021 0.000 1.929 361 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 361 A C 2.461 180.005 177.584 -0.068 0.000 1.176 361 A CA 1.306 53.328 52.037 -0.026 0.000 0.628 361 A CB -1.084 17.922 19.000 0.010 0.000 0.816 361 A HN 0.410 nan 8.150 nan 0.000 0.444 362 G N -0.051 108.695 108.800 -0.090 0.000 2.491 362 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G C 1.527 176.307 174.900 -0.201 0.000 1.180 362 G CA 1.439 46.468 45.100 -0.119 0.000 0.774 362 G HN 0.324 nan 8.290 nan 0.000 0.562 363 V N 1.404 121.116 119.914 -0.338 0.000 2.370 363 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 363 V C 2.979 178.989 176.094 -0.140 0.000 1.068 363 V CA 2.191 64.321 62.300 -0.283 0.000 1.061 363 V CB -0.413 31.214 31.823 -0.327 0.000 0.656 363 V HN 0.367 nan 8.190 nan 0.000 0.455 364 R N -0.616 119.823 120.500 -0.102 0.000 2.153 364 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 364 R C 2.075 178.342 176.300 -0.054 0.000 1.072 364 R CA 1.080 57.145 56.100 -0.058 0.000 0.990 364 R CB -0.526 29.752 30.300 -0.036 0.000 0.889 364 R HN 0.455 nan 8.270 nan 0.000 0.452 365 I N 0.436 120.969 120.570 -0.062 0.000 2.277 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 365 I C 2.388 178.468 176.117 -0.061 0.000 1.094 365 I CA 1.394 62.662 61.300 -0.053 0.000 1.393 365 I CB -0.567 37.404 38.000 -0.048 0.000 1.078 365 I HN 0.200 nan 8.210 nan 0.000 0.417 366 G N 0.219 108.969 108.800 -0.084 0.000 2.470 366 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 366 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 366 G C 0.806 175.675 174.900 -0.052 0.000 1.121 366 G CA 0.577 45.625 45.100 -0.086 0.000 0.766 366 G HN 0.283 nan 8.290 nan 0.000 0.553 367 V N 1.457 121.338 119.914 -0.054 0.000 2.502 367 V HA 0.200 4.320 4.120 -0.000 0.000 0.261 367 V C -1.470 174.606 176.094 -0.029 0.000 0.996 367 V CA -0.979 61.289 62.300 -0.054 0.000 1.095 367 V CB 1.578 33.349 31.823 -0.087 0.000 1.325 367 V HN 0.044 nan 8.190 nan 0.000 0.574 368 P HA -0.212 nan 4.420 nan 0.000 0.219 368 P C 1.332 178.626 177.300 -0.010 0.000 1.146 368 P CA 1.277 64.367 63.100 -0.016 0.000 0.808 368 P CB 0.391 32.081 31.700 -0.017 0.000 0.779 369 Q N -0.163 119.638 119.800 0.002 0.000 2.451 369 Q HA 0.115 4.455 4.340 -0.000 0.000 0.206 369 Q C 0.746 176.737 176.000 -0.015 0.000 0.947 369 Q CA 0.214 56.016 55.803 -0.002 0.000 0.937 369 Q CB -0.608 28.139 28.738 0.014 0.000 1.025 369 Q HN 0.045 nan 8.270 nan 0.000 0.511 370 A N 2.319 125.125 122.820 -0.022 0.000 2.450 370 A HA 0.362 4.682 4.320 -0.000 0.000 0.255 370 A C 0.582 178.151 177.584 -0.025 0.000 1.096 370 A CA 0.136 52.154 52.037 -0.033 0.000 0.778 370 A CB 0.297 19.274 19.000 -0.038 0.000 1.031 370 A HN 0.530 nan 8.150 nan 0.000 0.494 371 S N 1.923 117.606 115.700 -0.029 0.000 2.634 371 S HA 0.073 4.543 4.470 -0.000 0.000 0.254 371 S C 0.546 175.141 174.600 -0.008 0.000 1.299 371 S CA 0.291 58.480 58.200 -0.018 0.000 0.974 371 S CB 0.316 63.502 63.200 -0.023 0.000 1.001 371 S HN 0.658 nan 8.310 nan 0.000 0.584 372 D N 0.049 120.450 120.400 0.002 0.000 2.077 372 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 372 D C 1.957 178.273 176.300 0.026 0.000 0.986 372 D CA 0.945 54.954 54.000 0.015 0.000 0.829 372 D CB -0.482 40.330 40.800 0.019 0.000 0.983 372 D HN 0.358 nan 8.370 nan 0.000 0.453 373 L N 1.504 122.739 121.223 0.021 0.000 2.021 373 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 373 L C 2.327 179.219 176.870 0.036 0.000 1.074 373 L CA 1.902 56.762 54.840 0.034 0.000 0.760 373 L CB -1.034 41.038 42.059 0.022 0.000 0.889 373 L HN -0.024 nan 8.230 nan 0.000 0.433 374 A N -1.051 121.768 122.820 -0.003 0.000 1.902 374 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 374 A C 2.449 180.047 177.584 0.025 0.000 1.181 374 A CA 1.966 53.989 52.037 -0.025 0.000 0.623 374 A CB -1.109 17.840 19.000 -0.086 0.000 0.818 374 A HN 0.561 nan 8.150 nan 0.000 0.443 375 A N -0.398 122.437 122.820 0.025 0.000 1.883 375 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 375 A C 1.930 179.574 177.584 0.100 0.000 1.186 375 A CA 2.095 54.159 52.037 0.045 0.000 0.624 375 A CB -0.605 18.411 19.000 0.026 0.000 0.822 375 A HN 0.580 nan 8.150 nan 0.000 0.444 376 E N -0.298 119.964 120.200 0.104 0.000 2.049 376 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 376 E C 2.236 178.947 176.600 0.185 0.000 1.007 376 E CA 1.650 58.136 56.400 0.143 0.000 0.809 376 E CB -0.395 29.375 29.700 0.116 0.000 0.749 376 E HN 0.562 nan 8.360 nan 0.000 0.450 377 A N 0.044 122.974 122.820 0.184 0.000 1.884 377 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 377 A C 2.476 180.208 177.584 0.246 0.000 1.197 377 A CA 2.116 54.302 52.037 0.249 0.000 0.637 377 A CB -1.064 18.155 19.000 0.364 0.000 0.827 377 A HN 0.209 nan 8.150 nan 0.000 0.450 378 V N -0.367 119.726 119.914 0.298 0.000 2.332 378 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 378 V C 2.538 178.863 176.094 0.385 0.000 1.055 378 V CA 1.988 64.488 62.300 0.334 0.000 1.038 378 V CB -0.952 31.001 31.823 0.216 0.000 0.651 378 V HN 0.388 nan 8.190 nan 0.000 0.450 379 V N -0.250 119.854 119.914 0.316 0.000 2.407 379 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 379 V C 2.316 178.641 176.094 0.386 0.000 1.055 379 V CA 1.891 64.432 62.300 0.401 0.000 1.049 379 V CB -0.557 31.479 31.823 0.355 0.000 0.662 379 V HN 0.501 nan 8.190 nan 0.000 0.455 380 L N -0.215 121.236 121.223 0.380 0.000 1.989 380 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 380 L C 2.575 179.642 176.870 0.329 0.000 1.071 380 L CA 2.681 57.808 54.840 0.478 0.000 0.749 380 L CB -0.589 41.617 42.059 0.245 0.000 0.890 380 L HN 0.454 nan 8.230 nan 0.000 0.431 381 H N -1.376 117.694 119.070 0.000 0.000 2.353 381 H HA -0.221 4.335 4.556 -0.000 0.000 0.300 381 H C 1.613 176.852 175.328 -0.148 0.000 1.090 381 H CA 2.466 58.365 56.048 -0.248 0.000 1.327 381 H CB -0.066 29.217 29.762 -0.798 0.000 1.383 381 H HN 0.445 nan 8.280 nan 0.000 0.508 382 Y N -0.673 119.740 120.300 0.189 0.000 2.462 382 Y HA 0.149 4.698 4.550 -0.000 0.000 0.261 382 Y C 0.804 176.716 175.900 0.021 0.000 1.146 382 Y CA 0.039 58.259 58.100 0.200 0.000 1.283 382 Y CB 0.451 39.151 38.460 0.401 0.000 1.090 382 Y HN 0.006 nan 8.280 nan 0.000 0.526 383 T N 1.215 115.719 114.554 -0.083 0.000 2.919 383 T HA -0.011 4.339 4.350 -0.000 0.000 0.302 383 T C -0.338 173.943 174.700 -0.698 0.000 1.031 383 T CA -0.213 61.532 62.100 -0.592 0.000 1.127 383 T CB 0.430 68.519 68.868 -1.299 0.000 0.952 383 T HN 0.095 nan 8.240 nan 0.000 0.540 384 D N 1.757 121.751 120.400 -0.678 0.000 2.428 384 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 384 D C 0.143 176.152 176.300 -0.484 0.000 1.123 384 D CA -0.855 52.797 54.000 -0.581 0.000 0.869 384 D CB 0.185 40.531 40.800 -0.757 0.000 1.032 384 D HN 0.590 nan 8.370 nan 0.000 0.506 385 W N 3.066 124.272 121.300 -0.158 0.000 2.632 385 W HA -0.020 4.640 4.660 -0.000 0.000 0.248 385 W C 1.799 178.208 176.519 -0.183 0.000 1.259 385 W CA -0.263 56.998 57.345 -0.140 0.000 1.288 385 W CB 0.037 29.429 29.460 -0.113 0.000 1.136 385 W HN 0.430 nan 8.180 nan 0.000 0.640 386 L N -0.405 120.747 121.223 -0.118 0.000 2.375 386 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 386 L C -0.217 176.270 176.870 -0.638 0.000 1.108 386 L CA 1.394 56.019 54.840 -0.359 0.000 0.830 386 L CB -0.188 41.616 42.059 -0.425 0.000 0.959 386 L HN 0.063 nan 8.230 nan 0.000 0.457 387 H N -0.576 118.411 119.070 -0.139 0.000 2.514 387 H HA 0.201 4.757 4.556 -0.000 0.000 0.226 387 H C -1.935 173.264 175.328 -0.215 0.000 1.421 387 H CA -0.984 54.975 56.048 -0.148 0.000 1.394 387 H CB 0.367 30.038 29.762 -0.152 0.000 1.701 387 H HN 0.010 nan 8.280 nan 0.000 0.515 388 P HA -0.089 nan 4.420 nan 0.000 0.244 388 P C 0.156 177.345 177.300 -0.185 0.000 1.211 388 P CA 0.899 63.842 63.100 -0.261 0.000 0.760 388 P CB 0.567 32.134 31.700 -0.221 0.000 0.961 389 E N -0.993 119.148 120.200 -0.098 0.000 2.676 389 E HA 0.043 4.393 4.350 -0.000 0.000 0.225 389 E C -0.072 176.493 176.600 -0.057 0.000 0.944 389 E CA -0.186 56.171 56.400 -0.072 0.000 1.156 389 E CB -0.035 29.644 29.700 -0.036 0.000 1.117 389 E HN 0.163 nan 8.360 nan 0.000 0.523 390 D N 4.110 124.484 120.400 -0.044 0.000 2.412 390 D HA -0.019 4.621 4.640 -0.000 0.000 0.257 390 D C -1.064 175.209 176.300 -0.045 0.000 1.217 390 D CA -1.421 52.554 54.000 -0.042 0.000 0.897 390 D CB 1.233 41.999 40.800 -0.058 0.000 1.132 390 D HN -0.126 nan 8.370 nan 0.000 0.493 391 P HA -0.183 nan 4.420 nan 0.000 0.214 391 P C 1.290 178.542 177.300 -0.080 0.000 1.163 391 P CA 1.276 64.327 63.100 -0.082 0.000 0.883 391 P CB -0.017 31.627 31.700 -0.095 0.000 0.788 392 T N -1.126 113.391 114.554 -0.062 0.000 2.699 392 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 392 T C 1.838 176.524 174.700 -0.022 0.000 1.036 392 T CA 2.037 64.109 62.100 -0.047 0.000 1.147 392 T CB -1.057 67.797 68.868 -0.023 0.000 0.862 392 T HN 0.340 nan 8.240 nan 0.000 0.446 393 H N 0.585 119.608 119.070 -0.079 0.000 2.299 393 H HA 0.106 4.662 4.556 -0.000 0.000 0.302 393 H C 2.129 177.412 175.328 -0.074 0.000 1.078 393 H CA 1.254 57.261 56.048 -0.069 0.000 1.323 393 H CB -0.468 29.233 29.762 -0.102 0.000 1.381 393 H HN 0.208 nan 8.280 nan 0.000 0.498 394 L N 0.270 121.456 121.223 -0.061 0.000 1.997 394 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 394 L C 2.896 179.805 176.870 0.065 0.000 1.074 394 L CA 1.895 56.645 54.840 -0.151 0.000 0.763 394 L CB -0.580 41.406 42.059 -0.121 0.000 0.890 394 L HN 0.354 nan 8.230 nan 0.000 0.434 395 R N 0.428 120.940 120.500 0.021 0.000 2.122 395 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 395 R C 1.879 178.266 176.300 0.144 0.000 1.129 395 R CA 2.584 58.732 56.100 0.080 0.000 0.925 395 R CB -0.615 29.612 30.300 -0.121 0.000 0.850 395 R HN 0.385 nan 8.270 nan 0.000 0.431 396 D N 0.141 120.558 120.400 0.029 0.000 2.221 396 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 396 D C 1.696 178.028 176.300 0.053 0.000 0.982 396 D CA 1.326 55.355 54.000 0.049 0.000 0.857 396 D CB -0.276 40.518 40.800 -0.011 0.000 0.934 396 D HN 0.431 nan 8.370 nan 0.000 0.475 397 A N 0.777 123.595 122.820 -0.002 0.000 1.877 397 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 397 A C 2.120 179.860 177.584 0.261 0.000 1.186 397 A CA 1.253 53.390 52.037 0.167 0.000 0.620 397 A CB -0.425 18.665 19.000 0.149 0.000 0.822 397 A HN 0.054 nan 8.150 nan 0.000 0.443 398 M N 0.301 120.104 119.600 0.338 0.000 2.073 398 M HA -0.142 4.337 4.480 -0.000 0.000 0.258 398 M C 2.475 178.775 176.300 0.000 0.000 1.070 398 M CA 2.142 57.521 55.300 0.131 0.000 1.103 398 M CB -1.286 31.427 32.600 0.189 0.000 1.321 398 M HN 0.524 nan 8.290 nan 0.000 0.405 399 S N -0.234 115.506 115.700 0.067 0.000 2.383 399 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 399 S C 1.974 176.619 174.600 0.076 0.000 1.030 399 S CA 1.785 60.035 58.200 0.084 0.000 1.002 399 S CB -0.304 63.017 63.200 0.202 0.000 0.829 399 S HN 0.530 nan 8.310 nan 0.000 0.467 400 A N 0.729 123.616 122.820 0.112 0.000 1.897 400 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 400 A C 2.358 179.961 177.584 0.030 0.000 1.181 400 A CA 1.532 53.672 52.037 0.172 0.000 0.620 400 A CB -1.008 18.232 19.000 0.400 0.000 0.821 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.126 119.638 119.914 -0.250 0.000 2.282 401 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 401 V C 2.578 178.547 176.094 -0.208 0.000 1.057 401 V CA 2.200 64.278 62.300 -0.370 0.000 1.032 401 V CB -0.982 30.604 31.823 -0.395 0.000 0.645 401 V HN 0.377 nan 8.190 nan 0.000 0.447 402 V N 0.877 120.684 119.914 -0.179 0.000 2.261 402 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 402 V C 2.674 178.593 176.094 -0.292 0.000 1.047 402 V CA 2.294 64.464 62.300 -0.217 0.000 1.015 402 V CB -1.522 30.213 31.823 -0.148 0.000 0.642 402 V HN 0.603 nan 8.190 nan 0.000 0.446 403 G N -0.313 108.393 108.800 -0.155 0.000 2.422 403 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G C 1.219 176.005 174.900 -0.189 0.000 1.146 403 G CA 1.060 46.080 45.100 -0.133 0.000 0.769 403 G HN 0.525 nan 8.290 nan 0.000 0.547 404 D N -0.384 119.927 120.400 -0.149 0.000 2.123 404 D HA -0.049 4.590 4.640 -0.000 0.000 0.200 404 D C 2.084 178.035 176.300 -0.581 0.000 0.976 404 D CA 1.016 54.897 54.000 -0.198 0.000 0.831 404 D CB -0.419 40.431 40.800 0.084 0.000 0.974 404 D HN 0.366 nan 8.370 nan 0.000 0.469 405 H N 1.147 119.622 119.070 -0.991 0.000 2.353 405 H HA 0.014 4.570 4.556 -0.000 0.000 0.300 405 H C 1.497 176.353 175.328 -0.786 0.000 1.090 405 H CA 1.604 56.855 56.048 -1.329 0.000 1.327 405 H CB 0.106 29.074 29.762 -1.323 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.868 117.318 118.700 -0.856 0.000 2.439 406 N HA -0.004 4.736 4.740 -0.000 0.000 0.176 406 N C 1.583 176.796 175.510 -0.496 0.000 1.029 406 N CA 1.162 53.677 53.050 -0.893 0.000 0.886 406 N CB 0.794 38.165 38.487 -1.860 0.000 1.057 406 N HN 0.253 nan 8.380 nan 0.000 0.437 407 V N 0.217 119.884 119.914 -0.412 0.000 2.870 407 V HA 0.051 4.171 4.120 -0.000 0.000 0.232 407 V C 2.358 178.371 176.094 -0.135 0.000 1.161 407 V CA 0.329 62.536 62.300 -0.154 0.000 1.204 407 V CB -0.453 31.352 31.823 -0.030 0.000 1.003 407 V HN -0.143 nan 8.190 nan 0.000 0.499 408 V N 0.400 120.234 119.914 -0.132 0.000 2.220 408 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 408 V C 2.615 178.638 176.094 -0.118 0.000 1.049 408 V CA 2.641 64.878 62.300 -0.105 0.000 1.003 408 V CB -1.088 30.703 31.823 -0.054 0.000 0.634 408 V HN 0.665 nan 8.190 nan 0.000 0.444 409 c N 0.148 118.669 118.600 -0.131 0.000 2.413 409 c HA -0.064 4.506 4.570 -0.000 0.000 0.276 409 c C 0.625 174.651 174.090 -0.107 0.000 1.248 409 c CA 1.290 57.572 56.329 -0.078 0.000 1.742 409 c CB -2.218 40.281 42.510 -0.018 0.000 2.017 409 c HN 0.497 nan 8.230 nan 0.000 0.481 410 P HA -0.058 nan 4.420 nan 0.000 0.217 410 P C 1.772 178.981 177.300 -0.152 0.000 1.150 410 P CA 1.282 64.278 63.100 -0.174 0.000 0.832 410 P CB -0.225 31.333 31.700 -0.237 0.000 0.787 411 V N 0.452 120.278 119.914 -0.147 0.000 2.261 411 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 411 V C 2.537 178.516 176.094 -0.192 0.000 1.047 411 V CA 2.418 64.622 62.300 -0.160 0.000 1.015 411 V CB -1.746 29.978 31.823 -0.165 0.000 0.642 411 V HN 0.105 nan 8.190 nan 0.000 0.446 412 A N -0.409 122.310 122.820 -0.169 0.000 1.933 412 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 412 A C 2.175 179.691 177.584 -0.113 0.000 1.175 412 A CA 2.145 54.081 52.037 -0.167 0.000 0.628 412 A CB -0.562 18.394 19.000 -0.074 0.000 0.814 412 A HN 0.579 nan 8.150 nan 0.000 0.444 413 Q N -0.521 119.233 119.800 -0.077 0.000 2.124 413 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 413 Q C 1.782 177.740 176.000 -0.070 0.000 0.977 413 Q CA 1.864 57.640 55.803 -0.045 0.000 0.850 413 Q CB -0.458 28.255 28.738 -0.042 0.000 0.901 413 Q HN 0.547 nan 8.270 nan 0.000 0.429 414 L N -0.156 120.995 121.223 -0.120 0.000 2.068 414 L HA 0.137 4.476 4.340 -0.000 0.000 0.204 414 L C 2.118 178.896 176.870 -0.152 0.000 1.076 414 L CA 1.824 56.581 54.840 -0.138 0.000 0.753 414 L CB -1.045 40.918 42.059 -0.161 0.000 0.910 414 L HN 0.232 nan 8.230 nan 0.000 0.439 415 A N -0.064 122.619 122.820 -0.228 0.000 1.869 415 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 415 A C 2.353 179.851 177.584 -0.142 0.000 1.203 415 A CA 2.166 54.003 52.037 -0.334 0.000 0.638 415 A CB -1.826 16.680 19.000 -0.822 0.000 0.831 415 A HN 0.539 nan 8.150 nan 0.000 0.450 416 G N -1.245 107.525 108.800 -0.050 0.000 2.446 416 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 416 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 416 G C 1.728 176.702 174.900 0.124 0.000 1.168 416 G CA 0.958 46.180 45.100 0.203 0.000 0.771 416 G HN 0.371 nan 8.290 nan 0.000 0.551 417 R N -0.477 120.058 120.500 0.058 0.000 2.096 417 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 417 R C 2.545 178.909 176.300 0.106 0.000 1.127 417 R CA 0.613 56.759 56.100 0.076 0.000 0.968 417 R CB -0.855 29.472 30.300 0.045 0.000 0.861 417 R HN 0.340 nan 8.270 nan 0.000 0.440 418 L N 0.230 121.469 121.223 0.027 0.000 1.988 418 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 418 L C 2.420 179.376 176.870 0.143 0.000 1.071 418 L CA 2.038 56.897 54.840 0.031 0.000 0.744 418 L CB -1.362 40.639 42.059 -0.096 0.000 0.893 418 L HN 0.125 nan 8.230 nan 0.000 0.433 419 A N -0.556 122.345 122.820 0.134 0.000 1.869 419 A HA -0.276 4.043 4.320 -0.000 0.000 0.218 419 A C 2.434 180.102 177.584 0.139 0.000 1.203 419 A CA 2.534 54.666 52.037 0.157 0.000 0.638 419 A CB -1.266 17.868 19.000 0.223 0.000 0.831 419 A HN 0.474 nan 8.150 nan 0.000 0.450 420 A N -1.738 121.165 122.820 0.137 0.000 2.032 420 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 420 A C 2.031 179.686 177.584 0.118 0.000 1.165 420 A CA 2.147 54.252 52.037 0.113 0.000 0.645 420 A CB -0.406 18.658 19.000 0.107 0.000 0.807 420 A HN 0.580 nan 8.150 nan 0.000 0.453 421 Q N -2.471 117.431 119.800 0.170 0.000 2.360 421 Q HA 0.336 4.676 4.340 -0.000 0.000 0.202 421 Q C 1.153 177.241 176.000 0.147 0.000 0.915 421 Q CA 0.924 56.829 55.803 0.171 0.000 0.943 421 Q CB 0.447 29.367 28.738 0.304 0.000 1.064 421 Q HN 0.802 nan 8.270 nan 0.000 0.511 422 G N -1.325 107.564 108.800 0.147 0.000 2.705 422 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.193 422 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.193 422 G C 0.257 175.242 174.900 0.142 0.000 1.015 422 G CA -0.350 44.822 45.100 0.120 0.000 0.743 422 G HN 0.484 nan 8.290 nan 0.000 0.476 423 A N 0.696 123.631 122.820 0.191 0.000 2.547 423 A HA 0.515 4.835 4.320 -0.000 0.000 0.233 423 A C 0.780 178.450 177.584 0.143 0.000 1.067 423 A CA 1.190 53.333 52.037 0.177 0.000 0.763 423 A CB 0.083 19.178 19.000 0.157 0.000 1.007 423 A HN 1.060 nan 8.150 nan 0.000 0.506 424 R N 1.721 122.318 120.500 0.162 0.000 2.215 424 R HA 0.525 4.865 4.340 -0.000 0.000 0.336 424 R C -1.510 174.904 176.300 0.190 0.000 0.996 424 R CA -0.323 55.869 56.100 0.154 0.000 0.847 424 R CB 0.558 30.981 30.300 0.205 0.000 1.127 424 R HN 0.451 nan 8.270 nan 0.000 0.465 425 V N 4.925 124.898 119.914 0.100 0.000 2.769 425 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 425 V C -1.007 175.126 176.094 0.064 0.000 1.058 425 V CA -0.713 61.666 62.300 0.132 0.000 0.952 425 V CB 1.648 33.542 31.823 0.118 0.000 1.019 425 V HN 0.636 nan 8.190 nan 0.000 0.445 426 Y N 0.823 121.173 120.300 0.084 0.000 2.545 426 Y HA 0.832 5.382 4.550 -0.000 0.000 0.348 426 Y C 0.228 176.368 175.900 0.400 0.000 1.002 426 Y CA -0.558 57.707 58.100 0.276 0.000 1.039 426 Y CB 2.287 40.640 38.460 -0.178 0.000 1.271 426 Y HN 0.818 nan 8.280 nan 0.000 0.467 427 A N 1.831 125.115 122.820 0.772 0.000 2.527 427 A HA 0.925 5.245 4.320 -0.000 0.000 0.293 427 A C -1.970 175.850 177.584 0.393 0.000 1.117 427 A CA -0.724 51.562 52.037 0.413 0.000 0.723 427 A CB 1.765 20.876 19.000 0.185 0.000 1.313 427 A HN 0.886 nan 8.150 nan 0.000 0.411 428 Y N -1.566 118.831 120.300 0.161 0.000 2.725 428 Y HA 0.799 5.348 4.550 -0.000 0.000 0.333 428 Y C -1.637 174.330 175.900 0.112 0.000 1.242 428 Y CA -1.489 56.640 58.100 0.049 0.000 1.059 428 Y CB 1.201 39.703 38.460 0.071 0.000 1.306 428 Y HN 0.407 nan 8.280 nan 0.000 0.454 429 I N 3.048 123.880 120.570 0.437 0.000 2.517 429 I HA 0.196 4.366 4.170 -0.000 0.000 0.280 429 I C -1.099 175.306 176.117 0.480 0.000 1.061 429 I CA -0.757 60.748 61.300 0.340 0.000 1.091 429 I CB 1.096 39.224 38.000 0.213 0.000 1.205 429 I HN 0.705 nan 8.210 nan 0.000 0.459 430 F N 6.311 126.550 119.950 0.481 0.000 2.541 430 F HA 0.111 4.638 4.527 -0.000 0.000 0.378 430 F C 1.122 177.085 175.800 0.271 0.000 1.068 430 F CA 0.804 59.025 58.000 0.369 0.000 1.199 430 F CB 0.609 39.832 39.000 0.371 0.000 1.091 430 F HN 0.510 nan 8.300 nan 0.000 0.555 431 E N 2.804 123.011 120.200 0.013 0.000 2.601 431 E HA -0.027 4.323 4.350 -0.000 0.000 0.219 431 E C -0.725 175.899 176.600 0.041 0.000 0.964 431 E CA -0.202 56.252 56.400 0.090 0.000 1.050 431 E CB 0.231 29.976 29.700 0.076 0.000 1.068 431 E HN 0.495 nan 8.360 nan 0.000 0.496 432 H N 2.083 120.980 119.070 -0.289 0.000 2.604 432 H HA 0.201 4.756 4.556 -0.000 0.000 0.306 432 H C -0.342 175.080 175.328 0.155 0.000 1.075 432 H CA -0.590 55.367 56.048 -0.152 0.000 1.357 432 H CB 0.442 30.041 29.762 -0.272 0.000 1.426 432 H HN -0.127 nan 8.280 nan 0.000 0.470 433 R N 4.404 124.764 120.500 -0.233 0.000 2.216 433 R HA 0.477 4.817 4.340 -0.000 0.000 0.332 433 R C -0.513 175.582 176.300 -0.341 0.000 1.056 433 R CA -0.524 55.505 56.100 -0.118 0.000 0.901 433 R CB 0.210 30.531 30.300 0.035 0.000 1.039 433 R HN 0.776 nan 8.270 nan 0.000 0.456 434 A N 3.230 126.063 122.820 0.021 0.000 2.531 434 A HA 0.018 4.338 4.320 -0.000 0.000 0.236 434 A C 1.321 179.031 177.584 0.211 0.000 1.062 434 A CA 0.424 52.653 52.037 0.320 0.000 0.760 434 A CB 0.344 19.735 19.000 0.652 0.000 0.995 434 A HN 1.036 nan 8.150 nan 0.000 0.501 435 S N 1.133 117.006 115.700 0.289 0.000 2.402 435 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 435 S C 1.638 176.282 174.600 0.073 0.000 1.021 435 S CA 1.694 60.002 58.200 0.179 0.000 0.974 435 S CB -1.063 62.258 63.200 0.201 0.000 0.800 435 S HN 1.268 nan 8.310 nan 0.000 0.484 436 T N 0.061 114.623 114.554 0.014 0.000 3.035 436 T HA 0.162 4.512 4.350 -0.000 0.000 0.268 436 T C 0.888 175.563 174.700 -0.043 0.000 1.109 436 T CA -0.190 61.852 62.100 -0.095 0.000 1.119 436 T CB -0.688 67.994 68.868 -0.310 0.000 0.900 436 T HN 0.264 nan 8.240 nan 0.000 0.503 437 L N 4.165 125.411 121.223 0.038 0.000 2.678 437 L HA 0.015 4.355 4.340 -0.000 0.000 0.285 437 L C 1.279 178.154 176.870 0.008 0.000 1.233 437 L CA 1.256 56.124 54.840 0.046 0.000 0.920 437 L CB 0.005 42.107 42.059 0.071 0.000 1.176 437 L HN 0.541 nan 8.230 nan 0.000 0.495 438 T N 0.606 115.131 114.554 -0.048 0.000 3.107 438 T HA 0.043 4.393 4.350 -0.000 0.000 0.249 438 T C 0.391 175.143 174.700 0.086 0.000 1.096 438 T CA -0.425 61.640 62.100 -0.057 0.000 1.012 438 T CB -0.135 68.567 68.868 -0.276 0.000 0.977 438 T HN 0.468 nan 8.240 nan 0.000 0.527 439 W N 2.825 124.170 121.300 0.076 0.000 2.183 439 W HA 0.447 5.107 4.660 -0.000 0.000 0.348 439 W C -2.166 174.269 176.519 -0.141 0.000 1.257 439 W CA -2.273 55.073 57.345 0.001 0.000 1.324 439 W CB 0.055 29.454 29.460 -0.102 0.000 1.144 439 W HN -0.094 nan 8.180 nan 0.000 0.622 440 P HA -0.060 nan 4.420 nan 0.000 0.272 440 P C 0.801 178.035 177.300 -0.110 0.000 1.223 440 P CA -0.279 62.761 63.100 -0.101 0.000 0.784 440 P CB 0.790 32.372 31.700 -0.196 0.000 0.923 441 L N 2.436 123.669 121.223 0.017 0.000 2.043 441 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 441 L C 2.270 179.212 176.870 0.120 0.000 1.075 441 L CA 2.155 57.039 54.840 0.073 0.000 0.752 441 L CB -1.446 40.682 42.059 0.116 0.000 0.891 441 L HN 0.675 nan 8.230 nan 0.000 0.432 442 W N -0.061 121.297 121.300 0.096 0.000 2.336 442 W HA -0.256 4.404 4.660 -0.000 0.000 0.277 442 W C 1.657 178.242 176.519 0.110 0.000 1.211 442 W CA 0.728 58.134 57.345 0.101 0.000 1.187 442 W CB -1.029 28.492 29.460 0.102 0.000 1.132 442 W HN 0.209 nan 8.180 nan 0.000 0.562 443 M N 1.158 120.625 119.600 -0.221 0.000 2.556 443 M HA 0.190 4.670 4.480 -0.000 0.000 0.245 443 M C 1.950 178.241 176.300 -0.016 0.000 1.128 443 M CA 1.004 56.161 55.300 -0.238 0.000 1.069 443 M CB -0.505 31.713 32.600 -0.637 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 1.307 110.134 108.800 0.045 0.000 2.692 444 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.339 444 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.339 444 G C 0.109 175.055 174.900 0.077 0.000 1.226 444 G CA 0.248 45.401 45.100 0.089 0.000 0.979 444 G HN 0.281 nan 8.290 nan 0.000 0.549 445 V N 4.095 124.088 119.914 0.132 0.000 2.257 445 V HA 0.444 4.564 4.120 -0.000 0.000 0.269 445 V C -1.820 174.386 176.094 0.187 0.000 1.040 445 V CA -0.886 61.527 62.300 0.188 0.000 0.813 445 V CB 1.394 33.393 31.823 0.293 0.000 1.065 445 V HN 0.433 nan 8.190 nan 0.000 0.457 446 P HA 0.114 nan 4.420 nan 0.000 0.272 446 P C -0.229 177.250 177.300 0.299 0.000 1.230 446 P CA -0.340 62.827 63.100 0.112 0.000 0.788 446 P CB 0.356 31.938 31.700 -0.197 0.000 0.949 447 H N 1.048 120.184 119.070 0.110 0.000 3.167 447 H HA 0.209 4.764 4.556 -0.000 0.000 0.306 447 H C 1.563 176.824 175.328 -0.111 0.000 0.965 447 H CA 2.270 58.338 56.048 0.032 0.000 1.408 447 H CB -0.664 29.137 29.762 0.065 0.000 1.406 447 H HN 0.732 nan 8.280 nan 0.000 0.576 448 G N 3.601 112.126 108.800 -0.458 0.000 2.176 448 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G C 0.423 175.088 174.900 -0.392 0.000 0.979 448 G CA 0.409 45.199 45.100 -0.516 0.000 0.641 448 G HN 0.657 nan 8.290 nan 0.000 0.530 449 Y N 1.478 121.788 120.300 0.017 0.000 2.547 449 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 449 Y C 2.139 178.002 175.900 -0.062 0.000 1.165 449 Y CA 0.761 58.924 58.100 0.106 0.000 1.300 449 Y CB 0.273 38.853 38.460 0.201 0.000 1.126 449 Y HN 0.568 nan 8.280 nan 0.000 0.513 450 E N -0.291 119.717 120.200 -0.320 0.000 2.340 450 E HA -0.043 4.306 4.350 -0.000 0.000 0.198 450 E C 1.601 178.034 176.600 -0.278 0.000 0.961 450 E CA 0.492 56.369 56.400 -0.873 0.000 0.905 450 E CB -0.230 28.835 29.700 -1.058 0.000 0.884 450 E HN 0.434 nan 8.360 nan 0.000 0.491 451 I N 2.194 122.690 120.570 -0.124 0.000 2.118 451 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 451 I C 2.278 178.373 176.117 -0.037 0.000 1.070 451 I CA 1.925 63.220 61.300 -0.008 0.000 1.327 451 I CB -1.411 36.665 38.000 0.127 0.000 1.034 451 I HN 0.122 nan 8.210 nan 0.000 0.405 452 E N 1.365 121.487 120.200 -0.131 0.000 2.086 452 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 452 E C 2.188 178.495 176.600 -0.487 0.000 1.027 452 E CA 1.910 58.120 56.400 -0.317 0.000 0.830 452 E CB -0.580 28.891 29.700 -0.382 0.000 0.751 452 E HN 0.476 nan 8.360 nan 0.000 0.456 453 F N 1.167 121.000 119.950 -0.196 0.000 2.060 453 F HA -0.155 4.372 4.527 -0.000 0.000 0.295 453 F C 2.532 178.128 175.800 -0.341 0.000 1.120 453 F CA 0.745 58.571 58.000 -0.291 0.000 1.205 453 F CB -0.463 38.394 39.000 -0.240 0.000 0.986 453 F HN -0.061 nan 8.300 nan 0.000 0.470 454 I N -0.382 120.040 120.570 -0.246 0.000 2.145 454 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 454 I C 2.376 178.211 176.117 -0.469 0.000 1.075 454 I CA 1.950 62.933 61.300 -0.529 0.000 1.332 454 I CB -1.546 35.965 38.000 -0.815 0.000 1.033 454 I HN 0.107 nan 8.210 nan 0.000 0.410 455 F N 0.897 120.665 119.950 -0.303 0.000 2.365 455 F HA 0.038 4.565 4.527 -0.000 0.000 0.300 455 F C 1.948 177.630 175.800 -0.198 0.000 1.090 455 F CA 1.275 59.136 58.000 -0.232 0.000 1.408 455 F CB -0.374 38.477 39.000 -0.250 0.000 1.060 455 F HN 0.341 nan 8.300 nan 0.000 0.534 456 G N -0.372 108.293 108.800 -0.226 0.000 2.140 456 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G C 0.788 175.169 174.900 -0.864 0.000 1.013 456 G CA 0.128 44.980 45.100 -0.413 0.000 0.705 456 G HN 0.236 nan 8.290 nan 0.000 0.508 457 L N 0.319 121.120 121.223 -0.704 0.000 2.187 457 L HA 0.062 4.402 4.340 -0.000 0.000 0.213 457 L C 0.417 176.888 176.870 -0.664 0.000 1.100 457 L CA 2.620 57.046 54.840 -0.691 0.000 0.765 457 L CB -0.884 40.992 42.059 -0.304 0.000 0.904 457 L HN 0.248 nan 8.230 nan 0.000 0.437 458 P HA -0.109 nan 4.420 nan 0.000 0.223 458 P C 1.781 178.891 177.300 -0.317 0.000 1.151 458 P CA 0.826 63.462 63.100 -0.774 0.000 0.787 458 P CB 0.067 31.120 31.700 -1.078 0.000 0.788 459 L N -0.820 120.151 121.223 -0.420 0.000 2.187 459 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 459 L C 1.110 177.908 176.870 -0.119 0.000 1.100 459 L CA 1.200 55.893 54.840 -0.243 0.000 0.765 459 L CB -1.206 40.711 42.059 -0.235 0.000 0.904 459 L HN -0.008 nan 8.230 nan 0.000 0.437 460 D N -0.328 119.970 120.400 -0.170 0.000 2.339 460 D HA 0.059 4.699 4.640 -0.000 0.000 0.256 460 D C -1.677 174.661 176.300 0.064 0.000 1.214 460 D CA -2.021 52.014 54.000 0.057 0.000 0.877 460 D CB 1.503 42.388 40.800 0.141 0.000 1.111 460 D HN -0.073 nan 8.370 nan 0.000 0.478 461 P HA -0.130 nan 4.420 nan 0.000 0.218 461 P C 1.436 178.766 177.300 0.050 0.000 1.149 461 P CA 1.022 64.159 63.100 0.062 0.000 0.817 461 P CB 0.145 31.878 31.700 0.055 0.000 0.785 462 S N -0.235 115.493 115.700 0.047 0.000 2.356 462 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 462 S C 1.985 176.587 174.600 0.003 0.000 1.032 462 S CA 1.088 59.302 58.200 0.023 0.000 1.005 462 S CB -1.735 61.479 63.200 0.024 0.000 0.867 462 S HN 0.049 nan 8.310 nan 0.000 0.449 463 L N 2.319 123.550 121.223 0.013 0.000 2.189 463 L HA -0.177 4.163 4.340 -0.000 0.000 0.214 463 L C 0.655 177.460 176.870 -0.107 0.000 1.097 463 L CA 1.292 56.111 54.840 -0.034 0.000 0.764 463 L CB -1.546 40.549 42.059 0.060 0.000 0.900 463 L HN 0.814 nan 8.230 nan 0.000 0.436 464 N N -2.700 115.991 118.700 -0.014 0.000 2.573 464 N HA -0.277 4.462 4.740 -0.000 0.000 0.280 464 N C -0.481 174.992 175.510 -0.061 0.000 1.187 464 N CA 0.419 53.463 53.050 -0.011 0.000 0.717 464 N CB -1.681 36.788 38.487 -0.030 0.000 0.899 464 N HN 0.284 nan 8.380 nan 0.000 0.546 465 Y N 0.364 120.675 120.300 0.018 0.000 2.684 465 Y HA 0.634 5.184 4.550 -0.000 0.000 0.373 465 Y C 1.692 177.647 175.900 0.092 0.000 1.291 465 Y CA -0.064 58.080 58.100 0.073 0.000 1.472 465 Y CB 0.386 38.901 38.460 0.092 0.000 1.618 465 Y HN 0.488 nan 8.280 nan 0.000 0.674 466 T N -3.173 111.589 114.554 0.346 0.000 2.943 466 T HA 0.216 4.566 4.350 -0.000 0.000 0.284 466 T C 0.671 175.479 174.700 0.180 0.000 1.015 466 T CA -0.347 61.879 62.100 0.210 0.000 1.042 466 T CB 1.321 70.299 68.868 0.182 0.000 1.055 466 T HN 0.606 nan 8.240 nan 0.000 0.500 467 T N 1.496 116.120 114.554 0.117 0.000 2.699 467 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 467 T C 1.593 176.347 174.700 0.090 0.000 1.036 467 T CA 1.920 64.073 62.100 0.089 0.000 1.147 467 T CB -0.462 68.443 68.868 0.061 0.000 0.862 467 T HN 0.793 nan 8.240 nan 0.000 0.446 468 E N 1.544 121.791 120.200 0.080 0.000 2.038 468 E HA -0.139 4.210 4.350 -0.000 0.000 0.195 468 E C 2.330 179.004 176.600 0.123 0.000 1.000 468 E CA 1.291 57.720 56.400 0.048 0.000 0.803 468 E CB -0.311 29.377 29.700 -0.020 0.000 0.750 468 E HN 0.612 nan 8.360 nan 0.000 0.448 469 E N 0.528 120.853 120.200 0.209 0.000 2.097 469 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 469 E C 2.224 178.996 176.600 0.287 0.000 1.000 469 E CA 1.053 57.695 56.400 0.403 0.000 0.804 469 E CB -0.199 29.860 29.700 0.599 0.000 0.740 469 E HN 0.162 nan 8.360 nan 0.000 0.454 470 R N 1.117 121.708 120.500 0.153 0.000 2.080 470 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 470 R C 2.396 178.739 176.300 0.073 0.000 1.137 470 R CA 1.513 57.644 56.100 0.052 0.000 0.943 470 R CB -0.343 29.984 30.300 0.044 0.000 0.846 470 R HN 0.121 nan 8.270 nan 0.000 0.431 471 I N 0.673 121.303 120.570 0.100 0.000 2.163 471 I HA -0.303 3.866 4.170 -0.000 0.000 0.243 471 I C 2.398 178.616 176.117 0.169 0.000 1.085 471 I CA 1.145 62.502 61.300 0.095 0.000 1.347 471 I CB -0.540 37.504 38.000 0.073 0.000 1.044 471 I HN 0.200 nan 8.210 nan 0.000 0.408 472 F N 2.234 122.189 119.950 0.009 0.000 2.043 472 F HA -0.345 4.182 4.527 -0.000 0.000 0.297 472 F C 2.539 178.386 175.800 0.079 0.000 1.118 472 F CA 1.455 59.463 58.000 0.014 0.000 1.202 472 F CB -1.128 37.843 39.000 -0.048 0.000 0.965 472 F HN 0.085 nan 8.300 nan 0.000 0.482 473 A N 0.483 123.368 122.820 0.109 0.000 1.884 473 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 473 A C 2.133 179.698 177.584 -0.032 0.000 1.197 473 A CA 2.404 54.415 52.037 -0.044 0.000 0.637 473 A CB -1.193 17.752 19.000 -0.091 0.000 0.827 473 A HN 0.680 nan 8.150 nan 0.000 0.450 474 Q N -1.186 118.614 119.800 0.001 0.000 2.112 474 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 474 Q C 2.382 178.374 176.000 -0.013 0.000 0.987 474 Q CA 1.752 57.551 55.803 -0.008 0.000 0.858 474 Q CB -0.279 28.462 28.738 0.004 0.000 0.905 474 Q HN 0.702 nan 8.270 nan 0.000 0.420 475 R N 0.725 121.242 120.500 0.028 0.000 2.070 475 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 475 R C 2.312 178.572 176.300 -0.067 0.000 1.137 475 R CA 1.129 57.197 56.100 -0.054 0.000 0.945 475 R CB -0.212 30.161 30.300 0.122 0.000 0.845 475 R HN 0.201 nan 8.270 nan 0.000 0.430 476 L N 0.341 121.681 121.223 0.195 0.000 2.012 476 L HA -0.251 4.088 4.340 -0.000 0.000 0.210 476 L C 2.615 179.662 176.870 0.295 0.000 1.073 476 L CA 1.710 56.780 54.840 0.383 0.000 0.748 476 L CB -0.349 41.742 42.059 0.054 0.000 0.891 476 L HN 0.301 nan 8.230 nan 0.000 0.431 477 M N -1.239 118.395 119.600 0.056 0.000 2.149 477 M HA -0.208 4.271 4.480 -0.000 0.000 0.261 477 M C 2.225 178.573 176.300 0.081 0.000 1.064 477 M CA 1.441 56.751 55.300 0.018 0.000 1.102 477 M CB -0.584 31.988 32.600 -0.047 0.000 1.369 477 M HN 0.060 nan 8.290 nan 0.000 0.408 478 K N 0.401 120.810 120.400 0.016 0.000 2.057 478 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 478 K C 1.821 178.430 176.600 0.014 0.000 1.049 478 K CA 1.753 58.012 56.287 -0.047 0.000 0.931 478 K CB -0.539 31.852 32.500 -0.181 0.000 0.714 478 K HN 0.393 nan 8.250 nan 0.000 0.440 479 Y N -0.658 119.744 120.300 0.170 0.000 2.145 479 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 479 Y C 2.515 178.403 175.900 -0.020 0.000 1.145 479 Y CA 0.975 59.120 58.100 0.075 0.000 1.148 479 Y CB -0.610 37.944 38.460 0.157 0.000 0.981 479 Y HN 0.179 nan 8.280 nan 0.000 0.507 480 W N 0.936 122.277 121.300 0.069 0.000 2.329 480 W HA -0.254 4.406 4.660 -0.000 0.000 0.324 480 W C 2.625 179.108 176.519 -0.059 0.000 1.222 480 W CA 2.752 60.076 57.345 -0.034 0.000 1.270 480 W CB -1.030 28.343 29.460 -0.145 0.000 1.167 480 W HN 0.217 nan 8.180 nan 0.000 0.467 481 T N -0.995 113.629 114.554 0.118 0.000 2.737 481 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 481 T C 1.502 176.190 174.700 -0.020 0.000 1.040 481 T CA 1.568 63.675 62.100 0.010 0.000 1.142 481 T CB -0.761 68.107 68.868 0.001 0.000 0.861 481 T HN -0.012 nan 8.240 nan 0.000 0.456 482 N N 0.754 119.449 118.700 -0.007 0.000 2.142 482 N HA 0.000 4.740 4.740 -0.000 0.000 0.186 482 N C 1.466 176.918 175.510 -0.096 0.000 1.023 482 N CA 1.049 54.072 53.050 -0.045 0.000 0.852 482 N CB -0.553 37.919 38.487 -0.025 0.000 0.998 482 N HN 0.510 nan 8.380 nan 0.000 0.424 483 F N 1.682 121.480 119.950 -0.254 0.000 2.171 483 F HA -0.038 4.488 4.527 -0.000 0.000 0.300 483 F C 2.109 177.782 175.800 -0.211 0.000 1.090 483 F CA 1.185 58.975 58.000 -0.349 0.000 1.293 483 F CB -0.389 38.283 39.000 -0.547 0.000 1.013 483 F HN 0.016 nan 8.300 nan 0.000 0.486 484 A N 2.118 124.816 122.820 -0.204 0.000 1.865 484 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 484 A C 2.444 179.889 177.584 -0.232 0.000 1.191 484 A CA 2.217 54.128 52.037 -0.210 0.000 0.623 484 A CB -0.813 18.137 19.000 -0.082 0.000 0.826 484 A HN 0.558 nan 8.150 nan 0.000 0.444 485 R N -0.711 119.689 120.500 -0.166 0.000 2.062 485 R HA -0.072 4.267 4.340 -0.000 0.000 0.226 485 R C 2.268 178.464 176.300 -0.173 0.000 1.125 485 R CA 2.053 58.069 56.100 -0.139 0.000 0.966 485 R CB -1.420 28.828 30.300 -0.086 0.000 0.861 485 R HN 0.582 nan 8.270 nan 0.000 0.433 486 T N -2.474 111.967 114.554 -0.188 0.000 2.866 486 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 486 T C 1.423 175.978 174.700 -0.241 0.000 1.033 486 T CA 1.027 63.024 62.100 -0.172 0.000 1.145 486 T CB -0.093 68.702 68.868 -0.122 0.000 0.866 486 T HN 0.563 nan 8.240 nan 0.000 0.434 487 G N 1.096 109.654 108.800 -0.403 0.000 2.237 487 G HA2 0.025 3.985 3.960 -0.000 0.000 0.153 487 G HA3 0.025 3.985 3.960 -0.000 0.000 0.153 487 G C -0.520 174.267 174.900 -0.188 0.000 1.039 487 G CA 0.036 44.809 45.100 -0.545 0.000 0.719 487 G HN 0.861 nan 8.290 nan 0.000 0.491 488 D N -0.523 119.749 120.400 -0.213 0.000 2.688 488 D HA 0.322 4.961 4.640 -0.000 0.000 0.210 488 D C -1.983 174.128 176.300 -0.315 0.000 1.333 488 D CA -1.034 52.773 54.000 -0.322 0.000 0.920 488 D CB 2.019 42.770 40.800 -0.080 0.000 1.554 488 D HN -0.050 nan 8.370 nan 0.000 0.579 489 P HA -0.040 nan 4.420 nan 0.000 0.239 489 P C 0.082 177.381 177.300 -0.002 0.000 1.184 489 P CA 0.097 62.995 63.100 -0.336 0.000 0.760 489 P CB 0.292 31.485 31.700 -0.844 0.000 0.884 490 N N 1.060 119.757 118.700 -0.006 0.000 2.530 490 N HA 0.086 4.825 4.740 -0.000 0.000 0.273 490 N C 0.247 175.802 175.510 0.075 0.000 1.173 490 N CA 0.256 53.376 53.050 0.117 0.000 0.967 490 N CB 0.124 38.692 38.487 0.134 0.000 1.109 490 N HN 0.099 nan 8.380 nan 0.000 0.453 491 D N 2.945 123.402 120.400 0.094 0.000 2.662 491 D HA -0.026 4.614 4.640 -0.000 0.000 0.233 491 D C -1.289 175.033 176.300 0.036 0.000 1.129 491 D CA -0.788 53.240 54.000 0.046 0.000 0.851 491 D CB -0.427 40.403 40.800 0.051 0.000 1.152 491 D HN 0.264 nan 8.370 nan 0.000 0.507 492 P HA -0.327 nan 4.420 nan 0.000 0.241 492 P C 1.842 179.152 177.300 0.017 0.000 0.841 492 P CA 3.042 66.147 63.100 0.008 0.000 1.115 492 P CB -0.106 31.596 31.700 0.002 0.000 0.725 493 R N -1.017 119.492 120.500 0.015 0.000 2.146 493 R HA 0.162 4.501 4.340 -0.000 0.000 0.206 493 R C 1.692 178.007 176.300 0.025 0.000 1.049 493 R CA 1.726 57.837 56.100 0.019 0.000 1.029 493 R CB -1.828 28.480 30.300 0.013 0.000 0.949 493 R HN 0.581 nan 8.270 nan 0.000 0.471 494 D N 1.157 121.570 120.400 0.022 0.000 2.501 494 D HA 0.404 5.044 4.640 -0.000 0.000 0.268 494 D C 0.669 176.990 176.300 0.036 0.000 1.361 494 D CA 0.328 54.343 54.000 0.024 0.000 1.258 494 D CB -1.058 39.753 40.800 0.018 0.000 1.136 494 D HN 0.908 nan 8.370 nan 0.000 0.528 495 S N 0.857 116.581 115.700 0.040 0.000 3.988 495 S HA 0.478 4.948 4.470 -0.000 0.000 0.180 495 S C 1.299 175.930 174.600 0.053 0.000 1.242 495 S CA 0.381 58.612 58.200 0.053 0.000 0.947 495 S CB -0.962 62.268 63.200 0.049 0.000 1.519 495 S HN 1.049 nan 8.310 nan 0.000 0.439 496 K N 1.219 121.652 120.400 0.054 0.000 2.021 496 K HA 0.632 4.952 4.320 -0.000 0.000 0.238 496 K C 1.282 177.920 176.600 0.064 0.000 1.149 496 K CA 0.810 57.127 56.287 0.051 0.000 1.105 496 K CB -2.060 30.466 32.500 0.042 0.000 1.246 496 K HN 2.099 nan 8.250 nan 0.000 0.307 497 S N 1.272 117.006 115.700 0.057 0.000 4.116 497 S HA -0.157 4.313 4.470 -0.000 0.000 0.623 497 S C -1.254 173.393 174.600 0.079 0.000 1.933 497 S CA 0.914 59.149 58.200 0.059 0.000 4.224 497 S CB -2.540 60.689 63.200 0.048 0.000 0.208 497 S HN 0.765 nan 8.310 nan 0.000 0.527 498 P HA 0.525 nan 4.420 nan 0.000 0.264 498 P C -0.444 176.950 177.300 0.157 0.000 1.193 498 P CA 0.261 63.424 63.100 0.105 0.000 0.763 498 P CB 0.846 32.602 31.700 0.094 0.000 0.810 499 Q N 1.432 121.322 119.800 0.151 0.000 2.257 499 Q HA 0.521 4.861 4.340 -0.000 0.000 0.262 499 Q C -1.634 174.535 176.000 0.281 0.000 0.997 499 Q CA -0.450 55.480 55.803 0.212 0.000 0.873 499 Q CB 1.009 29.847 28.738 0.167 0.000 1.312 499 Q HN 0.465 nan 8.270 nan 0.000 0.450 500 W N 6.546 127.932 121.300 0.143 0.000 2.278 500 W HA 0.493 5.153 4.660 -0.000 0.000 0.317 500 W C -2.739 173.902 176.519 0.203 0.000 1.030 500 W CA -2.698 54.742 57.345 0.160 0.000 1.334 500 W CB 0.877 30.433 29.460 0.159 0.000 1.215 500 W HN 0.477 nan 8.180 nan 0.000 0.405 501 P HA 0.300 nan 4.420 nan 0.000 0.286 501 P C -2.629 174.757 177.300 0.143 0.000 1.261 501 P CA -1.850 61.397 63.100 0.246 0.000 0.821 501 P CB 0.977 32.742 31.700 0.108 0.000 1.013 502 P HA 0.002 nan 4.420 nan 0.000 0.265 502 P C -0.434 176.819 177.300 -0.078 0.000 1.193 502 P CA 0.205 63.046 63.100 -0.432 0.000 0.765 502 P CB -0.061 31.418 31.700 -0.368 0.000 0.823 503 Y N 3.747 123.994 120.300 -0.088 0.000 2.526 503 Y HA 0.267 4.816 4.550 -0.000 0.000 0.330 503 Y C 0.151 176.046 175.900 -0.008 0.000 1.156 503 Y CA 0.715 58.827 58.100 0.019 0.000 1.419 503 Y CB 0.211 38.716 38.460 0.075 0.000 1.250 503 Y HN 0.379 nan 8.280 nan 0.000 0.540 504 T N 1.627 115.923 114.554 -0.430 0.000 2.900 504 T HA 0.257 4.607 4.350 -0.000 0.000 0.295 504 T C 0.882 175.364 174.700 -0.363 0.000 1.044 504 T CA -0.312 61.638 62.100 -0.250 0.000 0.995 504 T CB 1.389 70.154 68.868 -0.171 0.000 1.072 504 T HN 0.658 nan 8.240 nan 0.000 0.473 505 T N 1.416 115.912 114.554 -0.098 0.000 2.607 505 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 505 T C 2.362 177.006 174.700 -0.093 0.000 1.049 505 T CA 1.416 63.492 62.100 -0.039 0.000 1.162 505 T CB -0.948 67.939 68.868 0.032 0.000 0.863 505 T HN 0.835 nan 8.240 nan 0.000 0.424 506 A N 1.958 124.733 122.820 -0.076 0.000 1.845 506 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 506 A C 2.728 180.255 177.584 -0.095 0.000 1.195 506 A CA 2.181 54.180 52.037 -0.063 0.000 0.616 506 A CB -1.331 17.643 19.000 -0.042 0.000 0.832 506 A HN 0.657 nan 8.150 nan 0.000 0.443 507 A N -2.406 120.334 122.820 -0.133 0.000 2.021 507 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 507 A C 0.999 178.467 177.584 -0.193 0.000 1.163 507 A CA 0.984 52.943 52.037 -0.131 0.000 0.676 507 A CB -0.319 18.618 19.000 -0.106 0.000 0.818 507 A HN 0.608 nan 8.150 nan 0.000 0.453 508 Q N -0.221 119.341 119.800 -0.397 0.000 2.460 508 Q HA -0.179 4.161 4.340 -0.000 0.000 0.311 508 Q C -0.983 174.860 176.000 -0.262 0.000 1.396 508 Q CA 0.592 56.030 55.803 -0.607 0.000 0.838 508 Q CB -1.638 26.985 28.738 -0.192 0.000 1.140 508 Q HN 0.853 nan 8.270 nan 0.000 0.415 509 Q N 0.617 120.272 119.800 -0.242 0.000 2.243 509 Q HA 0.568 4.908 4.340 -0.000 0.000 0.252 509 Q C -0.340 175.786 176.000 0.210 0.000 0.909 509 Q CA -0.181 55.601 55.803 -0.034 0.000 0.922 509 Q CB 0.919 29.620 28.738 -0.062 0.000 1.215 509 Q HN 0.373 nan 8.270 nan 0.000 0.427 510 Y N -1.617 118.714 120.300 0.052 0.000 2.625 510 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 510 Y C -1.224 174.572 175.900 -0.173 0.000 1.123 510 Y CA -1.421 56.682 58.100 0.004 0.000 1.046 510 Y CB 0.744 39.260 38.460 0.094 0.000 1.299 510 Y HN 0.370 nan 8.280 nan 0.000 0.464 511 V N -0.614 119.176 119.914 -0.206 0.000 2.864 511 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 511 V C -0.209 175.804 176.094 -0.134 0.000 1.073 511 V CA -0.544 61.533 62.300 -0.372 0.000 0.956 511 V CB 1.338 32.656 31.823 -0.842 0.000 1.023 511 V HN 1.111 nan 8.190 nan 0.000 0.435 512 S N 4.337 119.967 115.700 -0.117 0.000 2.400 512 S HA 0.398 4.868 4.470 -0.000 0.000 0.295 512 S C -0.239 174.329 174.600 -0.053 0.000 1.113 512 S CA -0.572 57.621 58.200 -0.011 0.000 1.064 512 S CB -0.137 63.054 63.200 -0.016 0.000 0.990 512 S HN 0.689 nan 8.310 nan 0.000 0.502 513 L N 5.784 127.018 121.223 0.018 0.000 2.363 513 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 513 L C 0.293 177.133 176.870 -0.050 0.000 1.106 513 L CA 0.367 55.236 54.840 0.048 0.000 0.859 513 L CB -0.847 41.310 42.059 0.164 0.000 1.223 513 L HN 0.995 nan 8.230 nan 0.000 0.446 514 N N 1.845 120.424 118.700 -0.201 0.000 3.179 514 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 514 N C 0.672 175.617 175.510 -0.941 0.000 1.507 514 N CA -0.830 51.862 53.050 -0.596 0.000 0.883 514 N CB 0.536 38.831 38.487 -0.320 0.000 1.435 514 N HN 0.184 nan 8.380 nan 0.000 0.532 515 L N -1.063 119.493 121.223 -1.111 0.000 2.034 515 L HA -0.170 4.170 4.340 -0.000 0.000 0.217 515 L C 0.448 177.055 176.870 -0.438 0.000 1.077 515 L CA 1.577 55.910 54.840 -0.844 0.000 0.769 515 L CB -0.727 40.951 42.059 -0.635 0.000 0.890 515 L HN 0.564 nan 8.230 nan 0.000 0.435 516 K N -0.167 120.052 120.400 -0.301 0.000 2.237 516 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 516 K C -2.072 174.449 176.600 -0.132 0.000 1.015 516 K CA -1.974 54.211 56.287 -0.169 0.000 0.949 516 K CB -0.103 32.324 32.500 -0.121 0.000 0.976 516 K HN -0.157 nan 8.250 nan 0.000 0.472 517 P HA -0.080 nan 4.420 nan 0.000 0.270 517 P C -0.005 177.291 177.300 -0.006 0.000 1.221 517 P CA -0.141 62.954 63.100 -0.007 0.000 0.788 517 P CB 0.380 32.086 31.700 0.011 0.000 0.904 518 L N 1.312 122.563 121.223 0.047 0.000 2.605 518 L HA -0.134 4.206 4.340 -0.000 0.000 0.296 518 L C 1.129 177.974 176.870 -0.042 0.000 1.255 518 L CA 1.254 56.093 54.840 -0.003 0.000 0.879 518 L CB -0.111 41.974 42.059 0.044 0.000 1.124 518 L HN 0.552 nan 8.230 nan 0.000 0.507 519 E N 3.277 123.421 120.200 -0.093 0.000 3.117 519 E HA 0.193 4.543 4.350 -0.000 0.000 0.262 519 E C -0.959 175.547 176.600 -0.156 0.000 1.202 519 E CA -0.516 55.826 56.400 -0.097 0.000 0.853 519 E CB 1.048 30.700 29.700 -0.080 0.000 1.426 519 E HN 0.356 nan 8.360 nan 0.000 0.387 520 V N 3.084 122.900 119.914 -0.164 0.000 2.752 520 V HA -0.057 4.062 4.120 -0.000 0.000 0.306 520 V C 0.671 176.590 176.094 -0.292 0.000 1.099 520 V CA 0.934 63.095 62.300 -0.231 0.000 1.240 520 V CB 0.064 31.795 31.823 -0.153 0.000 0.887 520 V HN 0.561 nan 8.190 nan 0.000 0.499 521 R N 3.764 123.951 120.500 -0.522 0.000 2.867 521 R HA 0.751 5.091 4.340 -0.000 0.000 0.268 521 R C -0.927 175.036 176.300 -0.562 0.000 1.014 521 R CA -1.082 54.656 56.100 -0.604 0.000 0.946 521 R CB 2.293 32.087 30.300 -0.843 0.000 1.208 521 R HN 0.657 nan 8.270 nan 0.000 0.477 522 R N 0.084 120.431 120.500 -0.256 0.000 2.599 522 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 522 R C -0.667 175.730 176.300 0.161 0.000 0.963 522 R CA -0.774 55.297 56.100 -0.048 0.000 0.883 522 R CB 2.098 32.372 30.300 -0.043 0.000 1.171 522 R HN 0.851 nan 8.270 nan 0.000 0.450 523 G N 2.483 111.444 108.800 0.269 0.000 3.445 523 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.634 523 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.634 523 G C -0.645 174.489 174.900 0.390 0.000 0.909 523 G CA -0.832 44.445 45.100 0.295 0.000 0.740 523 G HN 0.517 nan 8.290 nan 0.000 0.441 524 L N 4.327 125.703 121.223 0.255 0.000 2.295 524 L HA 0.351 4.690 4.340 -0.000 0.000 0.288 524 L C 1.597 178.505 176.870 0.064 0.000 1.079 524 L CA -0.853 53.971 54.840 -0.026 0.000 0.830 524 L CB 0.300 42.267 42.059 -0.152 0.000 1.200 524 L HN 0.792 nan 8.230 nan 0.000 0.438 525 R N 2.634 123.189 120.500 0.092 0.000 3.358 525 R HA -0.300 4.040 4.340 -0.000 0.000 0.248 525 R C 1.338 177.735 176.300 0.163 0.000 0.981 525 R CA 0.583 56.767 56.100 0.140 0.000 0.662 525 R CB -1.919 28.468 30.300 0.145 0.000 1.037 525 R HN 0.878 nan 8.270 nan 0.000 0.460 526 A N 0.592 123.507 122.820 0.158 0.000 1.909 526 A HA -0.355 3.965 4.320 -0.000 0.000 0.221 526 A C 2.103 179.779 177.584 0.154 0.000 1.223 526 A CA 2.152 54.281 52.037 0.152 0.000 0.658 526 A CB -0.238 18.844 19.000 0.137 0.000 0.831 526 A HN 0.492 nan 8.150 nan 0.000 0.462 527 Q N -1.192 118.700 119.800 0.154 0.000 1.965 527 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 527 Q C 2.365 178.490 176.000 0.208 0.000 0.981 527 Q CA 2.274 58.175 55.803 0.163 0.000 0.834 527 Q CB -0.897 27.934 28.738 0.155 0.000 0.900 527 Q HN 0.672 nan 8.270 nan 0.000 0.426 528 T N -0.218 114.482 114.554 0.244 0.000 2.653 528 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 528 T C 1.878 176.795 174.700 0.362 0.000 1.035 528 T CA 1.564 63.814 62.100 0.251 0.000 1.154 528 T CB -0.642 68.435 68.868 0.349 0.000 0.862 528 T HN 0.380 nan 8.240 nan 0.000 0.441 529 c N 1.305 120.097 118.600 0.321 0.000 2.456 529 c HA 0.337 4.906 4.570 -0.000 0.000 0.279 529 c C 3.090 177.328 174.090 0.247 0.000 1.427 529 c CA -0.202 56.314 56.329 0.312 0.000 1.778 529 c CB -1.551 41.076 42.510 0.196 0.000 1.842 529 c HN 0.653 nan 8.230 nan 0.000 0.531 530 A N 0.288 123.236 122.820 0.213 0.000 1.929 530 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 530 A C 1.814 179.521 177.584 0.206 0.000 1.176 530 A CA 1.028 53.172 52.037 0.178 0.000 0.628 530 A CB -0.696 18.394 19.000 0.149 0.000 0.816 530 A HN 0.470 nan 8.150 nan 0.000 0.444 531 F N -0.272 119.687 119.950 0.014 0.000 2.043 531 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 531 F C 1.932 177.701 175.800 -0.051 0.000 1.121 531 F CA 1.631 59.574 58.000 -0.096 0.000 1.199 531 F CB -0.958 37.735 39.000 -0.512 0.000 0.968 531 F HN 0.402 nan 8.300 nan 0.000 0.478 532 W N 0.737 121.876 121.300 -0.269 0.000 2.378 532 W HA -0.165 4.495 4.660 -0.000 0.000 0.313 532 W C 2.377 178.791 176.519 -0.175 0.000 1.197 532 W CA 1.171 58.310 57.345 -0.344 0.000 1.304 532 W CB -0.794 28.595 29.460 -0.118 0.000 1.148 532 W HN -0.013 nan 8.180 nan 0.000 0.494 533 N N -0.075 118.736 118.700 0.186 0.000 2.354 533 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 533 N C 1.567 177.119 175.510 0.069 0.000 1.021 533 N CA 1.080 54.191 53.050 0.101 0.000 0.887 533 N CB -0.410 38.130 38.487 0.089 0.000 0.974 533 N HN 0.293 nan 8.380 nan 0.000 0.437 534 R N -0.900 119.654 120.500 0.090 0.000 2.102 534 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 534 R C 1.639 178.016 176.300 0.128 0.000 1.131 534 R CA 0.162 56.324 56.100 0.103 0.000 1.054 534 R CB -0.452 29.925 30.300 0.128 0.000 0.954 534 R HN 0.117 nan 8.270 nan 0.000 0.465 535 F N 2.077 122.008 119.950 -0.031 0.000 2.147 535 F HA 0.060 4.587 4.527 -0.000 0.000 0.291 535 F C 2.096 177.834 175.800 -0.103 0.000 1.093 535 F CA 0.722 58.702 58.000 -0.033 0.000 1.263 535 F CB -0.603 38.425 39.000 0.045 0.000 1.036 535 F HN -0.142 nan 8.300 nan 0.000 0.481 536 L N 0.821 121.714 121.223 -0.549 0.000 2.010 536 L HA -0.244 4.096 4.340 -0.000 0.000 0.219 536 L C -0.442 176.159 176.870 -0.448 0.000 1.077 536 L CA 2.546 56.959 54.840 -0.711 0.000 0.773 536 L CB -1.923 39.645 42.059 -0.819 0.000 0.892 536 L HN 0.132 nan 8.230 nan 0.000 0.436 537 P HA -0.212 nan 4.420 nan 0.000 0.214 537 P C 1.297 178.494 177.300 -0.172 0.000 1.163 537 P CA 1.659 64.666 63.100 -0.154 0.000 0.889 537 P CB -0.202 31.451 31.700 -0.079 0.000 0.790 538 K N -0.356 119.938 120.400 -0.175 0.000 2.211 538 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 538 K C 2.197 178.676 176.600 -0.202 0.000 1.047 538 K CA 1.172 57.380 56.287 -0.133 0.000 0.935 538 K CB -1.402 31.071 32.500 -0.045 0.000 0.728 538 K HN 0.250 nan 8.250 nan 0.000 0.452 539 L N 1.056 122.035 121.223 -0.406 0.000 2.027 539 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 539 L C 2.547 179.295 176.870 -0.203 0.000 1.074 539 L CA 1.024 55.642 54.840 -0.369 0.000 0.745 539 L CB -0.248 41.493 42.059 -0.531 0.000 0.898 539 L HN 0.132 nan 8.230 nan 0.000 0.433 540 L N -0.649 120.453 121.223 -0.202 0.000 2.046 540 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 540 L C 2.555 179.374 176.870 -0.084 0.000 1.077 540 L CA 1.545 56.312 54.840 -0.122 0.000 0.747 540 L CB -0.489 41.504 42.059 -0.110 0.000 0.896 540 L HN 0.367 nan 8.230 nan 0.000 0.432 541 S N -0.769 114.881 115.700 -0.083 0.000 2.607 541 S HA 0.092 4.562 4.470 -0.000 0.000 0.224 541 S C 1.658 176.232 174.600 -0.044 0.000 0.969 541 S CA 0.484 58.652 58.200 -0.054 0.000 0.927 541 S CB 0.084 63.257 63.200 -0.045 0.000 0.772 541 S HN 0.360 nan 8.310 nan 0.000 0.533 542 A N 1.944 124.733 122.820 -0.052 0.000 1.973 542 A HA 0.280 4.600 4.320 -0.000 0.000 0.210 542 A C 1.579 179.147 177.584 -0.028 0.000 1.200 542 A CA 0.797 52.814 52.037 -0.033 0.000 0.707 542 A CB -0.792 18.190 19.000 -0.030 0.000 0.862 542 A HN 0.593 nan 8.150 nan 0.000 0.461 543 T N 0.000 114.531 114.554 -0.038 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658