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_D 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 1.116 178.483 177.300 0.111 0.000 1.153 6 P CA 0.610 63.752 63.100 0.071 0.000 0.777 6 P CB 0.619 32.342 31.700 0.039 0.000 0.794 7 Q N 0.234 120.130 119.800 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 1.162 57.117 55.803 0.254 0.000 0.840 7 Q CB -0.685 28.315 28.738 0.437 0.000 0.898 7 Q HN 0.398 nan 8.270 nan 0.000 0.424 8 L N 0.297 121.645 121.223 0.209 0.000 2.612 8 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 8 L C 0.392 177.371 176.870 0.181 0.000 1.140 8 L CA -0.108 54.788 54.840 0.094 0.000 0.896 8 L CB 0.068 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 1.582 122.933 121.223 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 1.808 43.924 42.059 0.096 0.000 1.221 9 L HN -0.246 nan 8.230 nan 0.000 0.418 10 V N 4.452 124.467 119.914 0.168 0.000 2.789 10 V HA 0.534 4.654 4.120 -0.000 0.000 0.311 10 V C -0.175 175.901 176.094 -0.030 0.000 1.073 10 V CA -1.033 61.225 62.300 -0.069 0.000 0.921 10 V CB 2.500 34.028 31.823 -0.492 0.000 1.009 10 V HN 0.745 nan 8.190 nan 0.000 0.426 11 R N 3.184 123.630 120.500 -0.090 0.000 2.265 11 R HA 0.709 5.049 4.340 -0.000 0.000 0.319 11 R C -1.212 175.037 176.300 -0.085 0.000 1.006 11 R CA -0.048 56.017 56.100 -0.058 0.000 0.880 11 R CB 1.346 31.602 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 1.489 177.529 176.094 -0.091 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 1.140 121.578 120.500 -0.104 0.000 2.261 13 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 13 R C 1.349 177.570 176.300 -0.132 0.000 1.141 13 R CA 1.641 57.674 56.100 -0.111 0.000 1.001 13 R CB -0.213 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 -1.693 106.977 108.800 -0.217 0.000 3.596 14 G HA2 0.455 4.414 3.960 -0.000 0.000 0.274 14 G HA3 0.455 4.414 3.960 -0.000 0.000 0.274 14 G C -0.153 174.004 174.900 -1.238 0.000 1.007 14 G CA 0.219 45.044 45.100 -0.458 0.000 0.825 14 G HN 0.532 nan 8.290 nan 0.000 0.508 15 G N -0.701 107.494 108.800 -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 -1.372 173.315 174.900 -0.356 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 -0.721 119.067 119.800 -0.020 0.000 2.227 16 Q HA 0.739 5.079 4.340 -0.000 0.000 0.245 16 Q C -0.543 175.755 176.000 0.496 0.000 0.926 16 Q CA -0.368 55.571 55.803 0.226 0.000 0.895 16 Q CB 1.954 30.775 28.738 0.137 0.000 1.230 16 Q HN 0.461 nan 8.270 nan 0.000 0.450 17 L N 1.198 122.648 121.223 0.380 0.000 2.393 17 L HA 0.601 4.941 4.340 -0.000 0.000 0.260 17 L C -0.644 176.415 176.870 0.315 0.000 1.002 17 L CA -0.884 54.196 54.840 0.400 0.000 0.818 17 L CB 2.401 44.785 42.059 0.542 0.000 1.369 17 L HN 0.518 nan 8.230 nan 0.000 0.412 18 R N 0.900 121.515 120.500 0.192 0.000 2.409 18 R HA 0.683 5.023 4.340 -0.000 0.000 0.313 18 R C -0.176 176.037 176.300 -0.145 0.000 0.953 18 R CA -0.363 55.774 56.100 0.061 0.000 0.849 18 R CB 1.552 31.857 30.300 0.009 0.000 1.171 18 R HN 0.727 nan 8.270 nan 0.000 0.458 19 G N 3.329 111.828 108.800 -0.502 0.000 2.508 19 G HA2 0.377 4.337 3.960 -0.000 0.000 0.278 19 G HA3 0.377 4.337 3.960 -0.000 0.000 0.278 19 G C -0.680 173.872 174.900 -0.579 0.000 1.389 19 G CA -0.632 43.813 45.100 -1.093 0.000 1.050 19 G HN 0.706 nan 8.290 nan 0.000 0.522 20 I N -1.896 118.338 120.570 -0.559 0.000 2.802 20 I HA 0.575 4.745 4.170 -0.000 0.000 0.298 20 I C -0.558 175.347 176.117 -0.354 0.000 1.176 20 I CA -1.168 59.910 61.300 -0.370 0.000 1.025 20 I CB 2.343 40.157 38.000 -0.310 0.000 1.243 20 I HN 0.413 nan 8.210 nan 0.000 0.424 21 R N 6.010 126.322 120.500 -0.314 0.000 2.204 21 R HA 0.484 4.824 4.340 -0.000 0.000 0.341 21 R C -1.581 174.570 176.300 -0.249 0.000 1.035 21 R CA -0.664 55.228 56.100 -0.346 0.000 0.887 21 R CB 0.671 30.669 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 0.351 4.691 4.340 -0.000 0.000 0.269 22 L C 0.098 176.911 176.870 -0.095 0.000 1.084 22 L CA 0.102 54.864 54.840 -0.129 0.000 0.802 22 L CB 1.250 43.257 42.059 -0.087 0.000 1.175 22 L HN 0.400 nan 8.230 nan 0.000 0.448 23 K N 1.973 122.327 120.400 -0.077 0.000 2.389 23 K HA 0.661 4.981 4.320 -0.000 0.000 0.261 23 K C -0.677 175.899 176.600 -0.041 0.000 1.014 23 K CA -0.391 55.868 56.287 -0.047 0.000 0.920 23 K CB 1.310 33.789 32.500 -0.036 0.000 1.149 23 K HN 0.724 nan 8.250 nan 0.000 0.444 24 A N 4.041 126.836 122.820 -0.042 0.000 2.286 24 A HA 0.374 4.694 4.320 -0.000 0.000 0.286 24 A C -1.722 175.895 177.584 0.056 0.000 1.097 24 A CA -1.449 50.559 52.037 -0.048 0.000 0.821 24 A CB 0.199 19.145 19.000 -0.090 0.000 1.076 24 A HN 0.465 nan 8.150 nan 0.000 0.490 25 P HA -0.166 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 2.160 65.334 63.100 0.124 0.000 0.865 25 P CB 0.128 31.929 31.700 0.168 0.000 0.789 26 G N -2.242 106.620 108.800 0.103 0.000 3.088 26 G HA2 0.432 4.392 3.960 -0.000 0.000 0.212 26 G HA3 0.432 4.392 3.960 -0.000 0.000 0.212 26 G C 0.557 175.500 174.900 0.072 0.000 1.173 26 G CA 0.455 45.604 45.100 0.081 0.000 0.779 26 G HN 0.632 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 -0.590 44.554 45.100 0.074 0.000 0.936 27 G HN 0.090 nan 8.290 nan 0.000 0.513 28 P HA 0.608 nan 4.420 nan 0.000 0.281 28 P C -0.593 176.800 177.300 0.156 0.000 1.249 28 P CA -0.407 62.757 63.100 0.107 0.000 0.810 28 P CB 1.850 33.675 31.700 0.208 0.000 1.008 29 V N 0.328 120.290 119.914 0.080 0.000 2.760 29 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 29 V C 0.253 176.398 176.094 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 0.183 0.000 1.045 30 S CB 1.274 64.752 63.200 0.463 0.000 0.962 30 S HN 1.297 nan 8.310 nan 0.000 0.503 31 A N 2.868 125.606 122.820 -0.137 0.000 2.414 31 A HA 0.696 5.016 4.320 -0.000 0.000 0.286 31 A C -1.309 176.018 177.584 -0.429 0.000 1.073 31 A CA -0.567 51.298 52.037 -0.287 0.000 0.727 31 A CB 0.440 19.147 19.000 -0.487 0.000 1.215 31 A HN 0.657 nan 8.150 nan 0.000 0.430 32 F N 3.190 123.003 119.950 -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 57.166 58.000 -0.104 0.000 1.237 32 F CB 0.970 40.080 39.000 0.183 0.000 1.525 32 F HN 0.311 nan 8.300 nan 0.000 0.528 33 L N 1.788 122.863 121.223 -0.247 0.000 2.319 33 L HA 0.541 4.881 4.340 -0.000 0.000 0.280 33 L C 1.087 177.879 176.870 -0.130 0.000 1.099 33 L CA -0.167 54.511 54.840 -0.270 0.000 0.828 33 L CB 0.545 42.278 42.059 -0.544 0.000 1.150 33 L HN 0.754 nan 8.230 nan 0.000 0.442 34 G N 3.468 112.246 108.800 -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 0.142 174.897 174.900 -0.243 0.000 1.000 34 G CA -0.373 44.638 45.100 -0.148 0.000 0.680 34 G HN 0.483 nan 8.290 nan 0.000 0.514 35 I N 2.682 123.202 120.570 -0.085 0.000 2.494 35 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 35 I C -1.503 174.596 176.117 -0.030 0.000 1.106 35 I CA -1.895 59.346 61.300 -0.097 0.000 1.369 35 I CB 0.537 38.512 38.000 -0.043 0.000 1.410 35 I HN -0.088 nan 8.210 nan 0.000 0.523 36 P HA -0.101 nan 4.420 nan 0.000 0.262 36 P C -0.006 177.367 177.300 0.123 0.000 1.182 36 P CA 0.398 63.595 63.100 0.162 0.000 0.761 36 P CB 0.191 31.865 31.700 -0.044 0.000 0.795 37 F N 1.486 121.434 119.950 -0.003 0.000 2.746 37 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 37 F C 0.286 176.122 175.800 0.061 0.000 1.095 37 F CA -0.499 57.434 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 0.109 122.764 122.820 -0.277 0.000 2.609 38 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 38 A C -1.040 176.456 177.584 -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 19.676 19.000 -0.359 0.000 1.282 38 A HN 0.044 nan 8.150 nan 0.000 0.412 39 E N 1.508 121.671 120.200 -0.062 0.000 2.366 39 E HA 0.249 4.599 4.350 -0.000 0.000 0.266 39 E C -2.298 174.230 176.600 -0.120 0.000 1.015 39 E CA -1.320 55.051 56.400 -0.049 0.000 0.906 39 E CB 0.080 29.774 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 -2.145 175.067 177.300 -0.147 0.000 1.163 40 P CA -0.476 62.521 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 -0.122 177.081 177.300 -0.162 0.000 1.793 41 P CA -0.033 62.978 63.100 -0.148 0.000 0.917 41 P CB -0.049 31.559 31.700 -0.153 0.000 1.755 42 V N -3.500 116.325 119.914 -0.148 0.000 3.234 42 V HA 0.841 4.961 4.120 -0.000 0.000 0.317 42 V C 1.222 177.239 176.094 -0.129 0.000 1.081 42 V CA 0.316 62.524 62.300 -0.153 0.000 1.037 42 V CB 0.337 32.078 31.823 -0.138 0.000 1.148 42 V HN 0.472 nan 8.190 nan 0.000 0.453 43 G N 1.982 110.704 108.800 -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 1.127 175.966 174.900 -0.102 0.000 1.207 43 G CA 1.759 46.798 45.100 -0.102 0.000 0.987 43 G HN 2.339 nan 8.290 nan 0.000 0.547 44 S N 0.301 115.959 115.700 -0.070 0.000 2.650 44 S HA 0.295 4.765 4.470 -0.000 0.000 0.219 44 S C 1.858 176.425 174.600 -0.056 0.000 0.960 44 S CA 1.238 59.407 58.200 -0.051 0.000 0.925 44 S CB 0.450 63.635 63.200 -0.026 0.000 0.775 44 S HN 0.497 nan 8.310 nan 0.000 0.525 45 R N 1.588 122.037 120.500 -0.086 0.000 2.265 45 R HA 0.338 4.678 4.340 -0.000 0.000 0.194 45 R C 0.786 177.004 176.300 -0.138 0.000 0.931 45 R CA -0.246 55.804 56.100 -0.084 0.000 1.032 45 R CB -0.626 29.625 30.300 -0.081 0.000 0.980 45 R HN 0.482 nan 8.270 nan 0.000 0.497 46 R N 0.632 120.987 120.500 -0.242 0.000 2.583 46 R HA -0.129 4.211 4.340 -0.000 0.000 0.274 46 R C -0.323 175.674 176.300 -0.505 0.000 0.998 46 R CA 0.656 56.466 56.100 -0.482 0.000 1.081 46 R CB 0.036 29.885 30.300 -0.752 0.000 0.940 46 R HN 0.158 nan 8.270 nan 0.000 0.413 47 F N -0.835 119.110 119.950 -0.007 0.000 2.656 47 F HA -0.260 4.267 4.527 -0.000 0.000 0.381 47 F C -0.183 175.596 175.800 -0.036 0.000 0.603 47 F CA 0.294 58.272 58.000 -0.037 0.000 1.335 47 F CB -1.525 37.446 39.000 -0.049 0.000 1.836 47 F HN 0.425 nan 8.300 nan 0.000 0.290 48 M N 1.743 121.383 119.600 0.066 0.000 2.409 48 M HA 0.442 4.922 4.480 -0.000 0.000 0.329 48 M C -1.933 174.380 176.300 0.022 0.000 1.180 48 M CA -2.363 52.963 55.300 0.044 0.000 1.053 48 M CB 0.522 33.131 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 -2.566 174.753 177.300 0.031 0.000 1.200 49 P CA -0.651 62.472 63.100 0.039 0.000 0.772 49 P CB -0.823 30.912 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 0.076 63.190 63.100 0.024 0.000 0.793 50 P CB 0.999 32.727 31.700 0.048 0.000 0.977 51 E N 1.162 121.378 120.200 0.026 0.000 2.238 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.267 51 E C -2.392 174.251 176.600 0.072 0.000 0.887 51 E CA -2.670 53.762 56.400 0.053 0.000 0.769 51 E CB 1.506 31.229 29.700 0.038 0.000 1.187 51 E HN 0.323 nan 8.360 nan 0.000 0.416 52 P HA -0.045 nan 4.420 nan 0.000 0.267 52 P C -0.616 176.779 177.300 0.158 0.000 1.209 52 P CA -0.248 62.953 63.100 0.169 0.000 0.763 52 P CB 0.339 32.146 31.700 0.178 0.000 0.816 53 K N 4.527 125.042 120.400 0.191 0.000 2.511 53 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 53 K C 0.262 177.014 176.600 0.254 0.000 1.008 53 K CA 0.515 56.924 56.287 0.204 0.000 1.050 53 K CB -0.048 32.612 32.500 0.267 0.000 0.889 53 K HN 0.358 nan 8.250 nan 0.000 0.484 54 R N 4.068 124.698 120.500 0.216 0.000 2.679 54 R HA 0.192 4.532 4.340 -0.000 0.000 0.269 54 R C -1.884 174.602 176.300 0.308 0.000 1.076 54 R CA -1.393 54.829 56.100 0.205 0.000 1.160 54 R CB 0.134 30.522 30.300 0.146 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 -1.368 176.044 177.300 0.186 0.000 1.227 55 P CA -0.274 62.877 63.100 0.084 0.000 0.781 55 P CB 0.320 31.981 31.700 -0.066 0.000 0.906 56 W N 1.601 122.941 121.300 0.068 0.000 2.647 56 W HA 0.694 5.354 4.660 -0.000 0.000 0.353 56 W C -0.015 176.530 176.519 0.043 0.000 1.080 56 W CA -0.983 56.393 57.345 0.052 0.000 1.208 56 W CB 0.196 29.689 29.460 0.054 0.000 1.396 56 W HN 0.427 nan 8.180 nan 0.000 0.573 57 S N 1.788 117.627 115.700 0.231 0.000 2.655 57 S HA 0.724 5.194 4.470 -0.000 0.000 0.265 57 S C 0.829 175.555 174.600 0.209 0.000 1.240 57 S CA 0.257 58.530 58.200 0.121 0.000 0.986 57 S CB 0.470 63.730 63.200 0.100 0.000 0.985 57 S HN 2.041 nan 8.310 nan 0.000 0.562 58 G N -0.104 108.770 108.800 0.123 0.000 2.591 58 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.278 58 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.278 58 G C -0.433 174.592 174.900 0.209 0.000 1.293 58 G CA -0.052 45.129 45.100 0.134 0.000 0.930 58 G HN 1.630 nan 8.290 nan 0.000 0.562 59 V N 1.175 121.199 119.914 0.184 0.000 2.311 59 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 59 V C 0.481 176.695 176.094 0.200 0.000 1.022 59 V CA -0.664 61.762 62.300 0.211 0.000 0.830 59 V CB 1.143 33.041 31.823 0.125 0.000 1.012 59 V HN 0.797 nan 8.190 nan 0.000 0.452 60 L N 5.840 127.251 121.223 0.312 0.000 2.513 60 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 60 L C 0.454 177.326 176.870 0.003 0.000 1.187 60 L CA 0.471 55.317 54.840 0.011 0.000 0.895 60 L CB 0.387 42.265 42.059 -0.302 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 0.302 4.942 4.640 -0.000 0.000 0.247 61 D C -0.399 175.836 176.300 -0.109 0.000 1.128 61 D CA 0.327 54.283 54.000 -0.073 0.000 0.884 61 D CB 1.454 42.200 40.800 -0.090 0.000 1.194 61 D HN 0.702 nan 8.370 nan 0.000 0.441 62 A N 2.638 125.401 122.820 -0.095 0.000 2.676 62 A HA 0.122 4.442 4.320 -0.000 0.000 0.258 62 A C 0.833 178.301 177.584 -0.193 0.000 0.898 62 A CA -0.042 51.930 52.037 -0.108 0.000 1.087 62 A CB -0.309 18.717 19.000 0.045 0.000 1.214 62 A HN 0.564 nan 8.150 nan 0.000 0.474 63 T N -3.221 111.209 114.554 -0.206 0.000 3.107 63 T HA 0.319 4.669 4.350 -0.000 0.000 0.249 63 T C 0.559 175.097 174.700 -0.271 0.000 1.096 63 T CA 0.839 62.786 62.100 -0.255 0.000 1.012 63 T CB -0.025 68.721 68.868 -0.203 0.000 0.977 63 T HN 0.392 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 0.546 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 -0.790 61.174 62.100 -0.227 0.000 1.012 64 T CB 0.867 69.656 68.868 -0.133 0.000 1.221 64 T HN 0.027 nan 8.240 nan 0.000 0.499 65 F N 3.344 123.231 119.950 -0.105 0.000 2.504 65 F HA 0.380 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 -0.441 57.518 58.000 -0.069 0.000 1.216 65 F CB 0.755 39.728 39.000 -0.046 0.000 1.108 65 F HN 0.439 nan 8.300 nan 0.000 0.554 66 Q N 2.164 122.102 119.800 0.229 0.000 2.397 66 Q HA 0.143 4.483 4.340 -0.000 0.000 0.193 66 Q C -0.070 176.012 176.000 0.136 0.000 1.083 66 Q CA -0.432 55.473 55.803 0.169 0.000 1.108 66 Q CB 0.458 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 -0.041 118.741 118.700 0.136 0.000 2.492 67 N HA 0.038 4.778 4.740 -0.000 0.000 0.262 67 N C -0.501 175.001 175.510 -0.013 0.000 1.202 67 N CA 0.026 53.101 53.050 0.041 0.000 0.926 67 N CB 0.538 39.043 38.487 0.031 0.000 1.078 67 N HN 0.185 nan 8.380 nan 0.000 0.454 68 V N 2.422 122.294 119.914 -0.071 0.000 2.655 68 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 68 V C 0.991 177.013 176.094 -0.120 0.000 1.044 68 V CA -0.529 61.698 62.300 -0.121 0.000 1.095 68 V CB 0.294 32.022 31.823 -0.158 0.000 0.952 68 V HN 0.725 nan 8.190 nan 0.000 0.485 69 c N 4.428 122.956 118.600 -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 41.739 42.510 -0.094 0.000 2.731 69 c HN 0.730 nan 8.230 nan 0.000 0.680 70 Y N 2.942 123.052 120.300 -0.315 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 -0.000 0.000 1.162 70 Y CA 0.915 58.828 58.100 -0.310 0.000 1.483 70 Y CB -0.106 37.889 38.460 -0.775 0.000 1.209 70 Y HN 0.725 nan 8.280 nan 0.000 0.528 71 Q N 4.072 123.662 119.800 -0.351 0.000 2.522 71 Q HA 0.263 4.603 4.340 -0.000 0.000 0.285 71 Q C -1.634 174.392 176.000 0.043 0.000 0.982 71 Q CA -1.231 54.590 55.803 0.029 0.000 0.805 71 Q CB 1.301 30.066 28.738 0.045 0.000 1.457 71 Q HN 0.633 nan 8.270 nan 0.000 0.394 72 Y N 1.088 121.489 120.300 0.168 0.000 2.652 72 Y HA 0.327 4.877 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 0.265 58.491 58.100 0.210 0.000 1.480 72 Y CB 0.831 39.529 38.460 0.396 0.000 1.345 72 Y HN 0.486 nan 8.280 nan 0.000 0.617 73 V N 6.228 125.892 119.914 -0.417 0.000 2.495 73 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 73 V C -0.450 175.499 176.094 -0.241 0.000 1.031 73 V CA -1.143 61.042 62.300 -0.192 0.000 0.871 73 V CB 1.635 33.348 31.823 -0.183 0.000 0.988 73 V HN 0.819 nan 8.190 nan 0.000 0.432 74 D N 3.007 123.514 120.400 0.178 0.000 2.348 74 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 74 D C 0.613 177.002 176.300 0.149 0.000 1.161 74 D CA 0.104 54.299 54.000 0.325 0.000 0.876 74 D CB 1.766 42.847 40.800 0.467 0.000 1.160 74 D HN 0.699 nan 8.370 nan 0.000 0.459 75 T N 2.952 117.575 114.554 0.115 0.000 3.440 75 T HA -0.005 4.345 4.350 -0.000 0.000 0.209 75 T C 1.707 176.418 174.700 0.018 0.000 0.906 75 T CA 0.001 62.124 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 0.154 121.324 121.223 -0.089 0.000 3.431 76 L HA -0.280 4.060 4.340 -0.000 0.000 0.056 76 L C -0.390 176.220 176.870 -0.434 0.000 4.413 76 L CA 2.144 56.766 54.840 -0.362 0.000 0.544 76 L CB -1.417 40.312 42.059 -0.550 0.000 3.531 76 L HN 0.646 nan 8.230 nan 0.000 0.663 77 Y N 1.807 122.100 120.300 -0.012 0.000 2.863 77 Y HA 0.476 5.026 4.550 -0.000 0.000 0.348 77 Y C -2.134 173.803 175.900 0.062 0.000 1.028 77 Y CA -3.146 54.941 58.100 -0.021 0.000 1.213 77 Y CB 0.096 38.489 38.460 -0.112 0.000 1.120 77 Y HN 0.232 nan 8.280 nan 0.000 0.598 78 P HA 0.180 nan 4.420 nan 0.000 0.271 78 P C 0.986 178.342 177.300 0.094 0.000 1.226 78 P CA 0.866 64.024 63.100 0.096 0.000 0.765 78 P CB 1.309 33.037 31.700 0.046 0.000 0.835 79 G N 2.676 111.517 108.800 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 -0.217 174.715 174.900 0.055 0.000 0.979 79 G CA -0.244 44.878 45.100 0.035 0.000 0.641 79 G HN 0.556 nan 8.290 nan 0.000 0.530 80 F N 2.336 122.244 119.950 -0.070 0.000 2.424 80 F HA 0.551 5.078 4.527 -0.000 0.000 0.356 80 F C 1.334 177.028 175.800 -0.177 0.000 1.110 80 F CA -0.376 57.531 58.000 -0.155 0.000 1.161 80 F CB 0.957 39.835 39.000 -0.202 0.000 1.115 80 F HN 0.206 nan 8.300 nan 0.000 0.507 81 E N 3.962 123.691 120.200 -0.785 0.000 2.097 81 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 81 E C 2.059 178.067 176.600 -0.985 0.000 1.000 81 E CA 1.510 57.459 56.400 -0.751 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 -0.074 107.503 108.800 -2.037 0.000 2.442 82 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 82 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 82 G C 1.645 176.516 174.900 -0.048 0.000 1.141 82 G CA 1.763 46.097 45.100 -1.277 0.000 0.763 82 G HN 0.478 nan 8.290 nan 0.000 0.554 83 T N -1.498 113.052 114.554 -0.008 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 0.862 63.290 62.100 0.547 0.000 1.145 83 T CB -0.047 69.177 68.868 0.594 0.000 0.876 83 T HN 0.110 nan 8.240 nan 0.000 0.449 84 E N 2.616 122.833 120.200 0.028 0.000 2.070 84 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 84 E C 2.294 178.807 176.600 -0.146 0.000 1.004 84 E CA 1.747 58.123 56.400 -0.041 0.000 0.805 84 E CB -0.681 28.957 29.700 -0.103 0.000 0.744 84 E HN 0.794 nan 8.360 nan 0.000 0.451 85 M N -2.020 117.374 119.600 -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 -0.655 0.000 1.073 85 M CA 1.652 56.606 55.300 -0.575 0.000 1.056 85 M CB -0.685 31.428 32.600 -0.812 0.000 1.394 85 M HN 0.049 nan 8.290 nan 0.000 0.444 86 W N 0.650 121.901 121.300 -0.082 0.000 2.872 86 W HA 0.243 4.903 4.660 -0.000 0.000 0.266 86 W C 0.838 177.291 176.519 -0.110 0.000 1.276 86 W CA -1.026 56.260 57.345 -0.098 0.000 1.471 86 W CB -0.050 29.422 29.460 0.020 0.000 1.071 86 W HN 0.123 nan 8.180 nan 0.000 0.619 87 N N 1.679 120.439 118.700 0.099 0.000 2.371 87 N HA 0.070 4.810 4.740 -0.000 0.000 0.243 87 N C -2.344 173.121 175.510 -0.076 0.000 1.287 87 N CA -1.003 52.064 53.050 0.029 0.000 0.911 87 N CB -0.194 38.310 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 -0.027 62.989 63.100 -0.141 0.000 0.771 88 P CB 0.352 31.967 31.700 -0.142 0.000 0.858 89 N N 0.935 119.540 118.700 -0.159 0.000 2.170 89 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 89 N C 0.185 175.634 175.510 -0.102 0.000 1.218 89 N CA -0.117 52.853 53.050 -0.133 0.000 0.889 89 N CB 0.296 38.689 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 -0.106 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 -0.800 55.258 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 0.177 4.527 4.350 -0.000 0.000 0.266 91 E C -0.152 176.419 176.600 -0.048 0.000 1.051 91 E CA -0.264 56.112 56.400 -0.039 0.000 0.884 91 E CB 0.799 30.489 29.700 -0.017 0.000 1.006 91 E HN 0.220 nan 8.360 nan 0.000 0.417 92 L N 1.896 123.087 121.223 -0.053 0.000 2.439 92 L HA 0.191 4.531 4.340 -0.000 0.000 0.269 92 L C 0.378 177.280 176.870 0.054 0.000 1.179 92 L CA 0.312 55.112 54.840 -0.067 0.000 0.828 92 L CB 0.869 42.810 42.059 -0.196 0.000 1.106 92 L HN 0.476 nan 8.230 nan 0.000 0.467 93 S N 0.706 116.441 115.700 0.058 0.000 2.580 93 S HA 0.140 4.610 4.470 -0.000 0.000 0.281 93 S C 0.061 174.599 174.600 -0.103 0.000 1.129 93 S CA -0.761 57.450 58.200 0.017 0.000 0.862 93 S CB 1.243 64.427 63.200 -0.027 0.000 1.090 93 S HN 0.737 nan 8.310 nan 0.000 0.451 94 E N 0.978 121.051 120.200 -0.211 0.000 2.338 94 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 94 E C -0.332 176.119 176.600 -0.247 0.000 1.007 94 E CA 0.579 56.791 56.400 -0.314 0.000 0.849 94 E CB 0.041 29.519 29.700 -0.370 0.000 0.774 94 E HN 0.556 nan 8.360 nan 0.000 0.506 95 D N 0.308 120.592 120.400 -0.192 0.000 2.468 95 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 95 D C 0.046 176.184 176.300 -0.269 0.000 1.155 95 D CA -0.373 53.503 54.000 -0.207 0.000 0.924 95 D CB 0.108 40.845 40.800 -0.104 0.000 1.029 95 D HN 0.124 nan 8.370 nan 0.000 0.515 96 c N 2.354 120.685 118.600 -0.449 0.000 4.015 96 c HA 0.350 4.920 4.570 -0.000 0.000 0.323 96 c C 0.762 174.433 174.090 -0.698 0.000 1.724 96 c CA -0.620 55.419 56.329 -0.483 0.000 1.828 96 c CB -1.193 41.182 42.510 -0.224 0.000 3.083 96 c HN 0.443 nan 8.230 nan 0.000 0.640 97 L N 2.811 123.484 121.223 -0.917 0.000 2.382 97 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 97 L C -0.718 175.522 176.870 -1.050 0.000 1.291 97 L CA 0.765 55.044 54.840 -0.935 0.000 1.176 97 L CB -0.834 40.621 42.059 -1.006 0.000 1.373 97 L HN 0.372 nan 8.230 nan 0.000 0.426 98 Y N 1.441 121.718 120.300 -0.039 0.000 2.633 98 Y HA 0.694 5.244 4.550 -0.000 0.000 0.339 98 Y C 0.128 176.235 175.900 0.345 0.000 1.045 98 Y CA -1.659 56.510 58.100 0.114 0.000 1.098 98 Y CB 1.640 40.114 38.460 0.023 0.000 1.296 98 Y HN 0.166 nan 8.280 nan 0.000 0.494 99 L N -0.464 120.958 121.223 0.333 0.000 2.250 99 L HA 0.800 5.140 4.340 -0.000 0.000 0.252 99 L C -1.177 175.748 176.870 0.093 0.000 1.054 99 L CA -1.020 53.901 54.840 0.135 0.000 0.856 99 L CB 1.621 43.576 42.059 -0.174 0.000 1.443 99 L HN 0.471 nan 8.230 nan 0.000 0.427 100 N N -0.805 117.966 118.700 0.118 0.000 2.321 100 N HA 0.792 5.532 4.740 -0.000 0.000 0.290 100 N C -1.629 173.908 175.510 0.044 0.000 1.212 100 N CA -0.422 52.640 53.050 0.020 0.000 0.767 100 N CB 2.779 41.248 38.487 -0.030 0.000 1.494 100 N HN 0.489 nan 8.380 nan 0.000 0.479 101 V N 0.843 120.701 119.914 -0.094 0.000 2.686 101 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 101 V C -1.125 175.064 176.094 0.157 0.000 1.065 101 V CA -0.748 61.604 62.300 0.085 0.000 0.894 101 V CB 2.439 34.131 31.823 -0.218 0.000 1.004 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 2.038 123.446 121.300 0.179 0.000 2.656 102 W HA 0.692 5.352 4.660 -0.000 0.000 0.327 102 W C -0.399 176.242 176.519 0.204 0.000 1.041 102 W CA -0.608 56.852 57.345 0.191 0.000 1.229 102 W CB 2.568 32.106 29.460 0.131 0.000 1.397 102 W HN 0.379 nan 8.180 nan 0.000 0.479 103 T N 3.639 118.470 114.554 0.463 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 -1.347 60.968 62.100 0.359 0.000 0.999 103 T CB 2.556 71.654 68.868 0.382 0.000 1.098 103 T HN 0.048 nan 8.240 nan 0.000 0.477 104 P HA 0.122 nan 4.420 nan 0.000 0.271 104 P C -1.381 176.066 177.300 0.245 0.000 1.216 104 P CA -0.330 62.894 63.100 0.207 0.000 0.776 104 P CB 0.452 32.237 31.700 0.142 0.000 0.881 105 Y N 5.761 126.120 120.300 0.099 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 -2.378 55.771 58.100 0.082 0.000 1.180 105 Y CB 0.710 39.207 38.460 0.062 0.000 1.138 105 Y HN 0.309 nan 8.280 nan 0.000 0.510 106 P HA 0.355 nan 4.420 nan 0.000 0.285 106 P C -0.793 176.491 177.300 -0.026 0.000 1.280 106 P CA -0.785 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 1.107 121.631 120.500 0.040 0.000 2.503 107 R HA -0.029 4.311 4.340 -0.000 0.000 0.271 107 R C -1.578 174.746 176.300 0.040 0.000 0.960 107 R CA -0.216 55.929 56.100 0.075 0.000 1.104 107 R CB -0.738 29.595 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 -0.190 177.121 177.300 0.019 0.000 1.248 108 P CA 0.223 63.348 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 -0.108 122.719 122.820 0.011 0.000 1.861 109 A HA 0.080 4.400 4.320 -0.000 0.000 0.212 109 A C 1.355 178.939 177.584 0.000 0.000 1.199 109 A CA 1.535 53.572 52.037 0.001 0.000 0.613 109 A CB -0.731 18.267 19.000 -0.002 0.000 0.846 109 A HN 0.598 nan 8.150 nan 0.000 0.446 110 S N -1.121 114.581 115.700 0.004 0.000 2.638 110 S HA 0.578 5.048 4.470 -0.000 0.000 0.302 110 S C -3.028 171.578 174.600 0.010 0.000 1.096 110 S CA -1.685 56.517 58.200 0.002 0.000 0.953 110 S CB 1.129 64.327 63.200 -0.003 0.000 1.107 110 S HN -0.014 nan 8.310 nan 0.000 0.503 111 P HA 0.062 nan 4.420 nan 0.000 0.243 111 P C -0.573 176.737 177.300 0.016 0.000 1.134 111 P CA 0.575 63.683 63.100 0.013 0.000 1.109 111 P CB -0.649 31.051 31.700 -0.001 0.000 1.140 112 T N 6.161 120.735 114.554 0.033 0.000 2.898 112 T HA 0.213 4.563 4.350 -0.000 0.000 0.301 112 T C -2.000 172.722 174.700 0.036 0.000 1.049 112 T CA -1.015 61.105 62.100 0.034 0.000 1.095 112 T CB 0.015 68.916 68.868 0.055 0.000 0.976 112 T HN 0.244 nan 8.240 nan 0.000 0.539 113 P HA 0.227 nan 4.420 nan 0.000 0.275 113 P C -0.766 176.567 177.300 0.055 0.000 1.227 113 P CA -0.380 62.733 63.100 0.022 0.000 0.781 113 P CB 0.570 32.263 31.700 -0.013 0.000 0.906 114 V N 1.072 121.036 119.914 0.084 0.000 2.483 114 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 114 V C -0.364 175.810 176.094 0.133 0.000 1.035 114 V CA -1.006 61.366 62.300 0.121 0.000 0.896 114 V CB 1.391 33.304 31.823 0.150 0.000 0.986 114 V HN 0.188 nan 8.190 nan 0.000 0.447 115 L N 5.679 126.990 121.223 0.146 0.000 2.297 115 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 115 L C -0.136 176.976 176.870 0.403 0.000 1.040 115 L CA -0.292 54.655 54.840 0.178 0.000 0.867 115 L CB 0.640 42.683 42.059 -0.027 0.000 1.244 115 L HN 0.642 nan 8.230 nan 0.000 0.433 116 I N 3.887 124.704 120.570 0.412 0.000 2.337 116 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 116 I C -0.320 176.079 176.117 0.471 0.000 1.046 116 I CA -0.088 61.437 61.300 0.376 0.000 1.324 116 I CB 0.409 38.532 38.000 0.205 0.000 1.409 116 I HN 0.600 nan 8.210 nan 0.000 0.494 117 W N 8.902 130.324 121.300 0.204 0.000 2.417 117 W HA 0.530 5.190 4.660 -0.000 0.000 0.317 117 W C -1.497 174.912 176.519 -0.182 0.000 1.121 117 W CA -0.820 56.423 57.345 -0.170 0.000 1.208 117 W CB 1.094 30.445 29.460 -0.182 0.000 1.253 117 W HN 0.275 nan 8.180 nan 0.000 0.533 118 I N 9.107 128.938 120.570 -1.231 0.000 2.390 118 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 118 I C -0.168 175.067 176.117 -1.470 0.000 1.016 118 I CA -1.102 59.545 61.300 -1.088 0.000 1.151 118 I CB 0.486 38.044 38.000 -0.736 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.637 124.408 120.300 -0.881 0.000 2.607 119 Y HA 0.577 5.127 4.550 -0.000 0.000 0.348 119 Y C 0.526 176.276 175.900 -0.250 0.000 1.261 119 Y CA -0.877 56.941 58.100 -0.471 0.000 1.480 119 Y CB 0.096 38.688 38.460 0.220 0.000 1.358 119 Y HN 0.494 nan 8.280 nan 0.000 0.630 120 G N -0.765 108.076 108.800 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 -0.474 174.348 174.900 -0.130 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 -0.888 107.717 108.800 -0.325 0.000 5.114 121 G HA2 0.522 4.482 3.960 -0.000 0.000 0.209 121 G HA3 0.522 4.482 3.960 -0.000 0.000 0.209 121 G C 0.817 175.150 174.900 -0.946 0.000 1.021 121 G CA 0.843 45.597 45.100 -0.577 0.000 0.608 121 G HN 2.086 nan 8.290 nan 0.000 0.360 122 G N 0.136 108.367 108.800 -0.947 0.000 2.175 122 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.265 122 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.265 122 G C 0.879 175.436 174.900 -0.572 0.000 0.979 122 G CA 0.611 44.861 45.100 -1.418 0.000 0.663 122 G HN 1.473 nan 8.290 nan 0.000 0.533 123 F N -3.313 116.479 119.950 -0.263 0.000 2.748 123 F HA -0.291 4.236 4.527 -0.000 0.000 0.370 123 F C 1.409 177.263 175.800 0.090 0.000 0.620 123 F CA 2.170 60.141 58.000 -0.048 0.000 1.233 123 F CB -1.979 36.877 39.000 -0.240 0.000 1.708 123 F HN 0.961 nan 8.300 nan 0.000 0.298 124 Y N -1.028 119.336 120.300 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 0.328 58.511 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 -0.530 114.899 115.700 -0.451 0.000 2.752 125 S HA 0.872 5.342 4.470 -0.000 0.000 0.284 125 S C -0.199 174.248 174.600 -0.256 0.000 1.189 125 S CA -0.394 57.620 58.200 -0.310 0.000 0.835 125 S CB 1.348 64.247 63.200 -0.502 0.000 1.192 125 S HN 1.432 nan 8.310 nan 0.000 0.506 126 G N -0.608 108.027 108.800 -0.275 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 -0.292 44.511 45.100 -0.495 0.000 0.846 126 G HN 2.256 nan 8.290 nan 0.000 0.647 127 A N -0.449 121.615 122.820 -1.261 0.000 2.565 127 A HA 0.982 5.302 4.320 -0.000 0.000 0.298 127 A C 0.736 178.109 177.584 -0.351 0.000 1.062 127 A CA 0.819 52.268 52.037 -0.979 0.000 0.723 127 A CB 0.820 19.532 19.000 -0.480 0.000 1.282 127 A HN 2.595 nan 8.150 nan 0.000 0.400 128 A N 1.008 123.862 122.820 0.057 0.000 1.972 128 A HA 0.022 4.342 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 2.452 54.692 52.037 0.339 0.000 0.635 128 A CB -0.791 18.496 19.000 0.479 0.000 0.810 128 A HN 1.559 nan 8.150 nan 0.000 0.446 129 S N -0.014 115.357 115.700 -0.549 0.000 2.462 129 S HA -0.070 4.400 4.470 -0.000 0.000 0.243 129 S C 0.786 174.958 174.600 -0.713 0.000 1.003 129 S CA 0.375 57.862 58.200 -1.188 0.000 0.970 129 S CB -0.745 62.010 63.200 -0.742 0.000 0.762 129 S HN 0.512 nan 8.310 nan 0.000 0.510 130 L N 1.960 122.883 121.223 -0.500 0.000 2.483 130 L HA 0.024 4.364 4.340 -0.000 0.000 0.275 130 L C 1.388 177.988 176.870 -0.451 0.000 1.220 130 L CA -0.365 54.157 54.840 -0.531 0.000 0.833 130 L CB 0.211 41.784 42.059 -0.811 0.000 1.102 130 L HN 0.031 nan 8.230 nan 0.000 0.490 131 D N 0.930 121.096 120.400 -0.391 0.000 2.084 131 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 131 D C 1.973 178.074 176.300 -0.331 0.000 0.990 131 D CA 1.506 55.346 54.000 -0.266 0.000 0.826 131 D CB -0.115 40.543 40.800 -0.237 0.000 0.971 131 D HN 0.512 nan 8.370 nan 0.000 0.453 132 V N -0.943 118.667 119.914 -0.506 0.000 3.186 132 V HA -0.166 3.954 4.120 -0.000 0.000 0.270 132 V C 0.583 176.288 176.094 -0.649 0.000 1.149 132 V CA 1.089 63.103 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 0.026 119.844 120.300 -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 -2.156 55.027 58.100 -1.527 0.000 1.249 133 Y CB -0.899 36.867 38.460 -1.156 0.000 1.152 133 Y HN 0.233 nan 8.280 nan 0.000 0.532 134 D N 1.111 121.259 120.400 -0.419 0.000 2.357 134 D HA 0.059 4.699 4.640 -0.000 0.000 0.265 134 D C 1.419 177.503 176.300 -0.359 0.000 1.334 134 D CA 0.300 54.212 54.000 -0.147 0.000 0.984 134 D CB 0.823 41.661 40.800 0.062 0.000 1.077 134 D HN 0.527 nan 8.370 nan 0.000 0.514 135 G N 4.217 112.308 108.800 -1.183 0.000 2.990 135 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.206 135 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.206 135 G C 1.519 175.785 174.900 -1.056 0.000 1.169 135 G CA 0.029 44.416 45.100 -1.188 0.000 0.819 135 G HN 0.503 nan 8.290 nan 0.000 0.517 136 R N 0.009 120.010 120.500 -0.832 0.000 2.066 136 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 136 R C 1.800 177.895 176.300 -0.342 0.000 1.131 136 R CA 1.198 57.056 56.100 -0.404 0.000 0.955 136 R CB -0.924 29.200 30.300 -0.294 0.000 0.851 136 R HN 0.346 nan 8.270 nan 0.000 0.432 137 F N 1.857 121.772 119.950 -0.059 0.000 2.069 137 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 137 F C 2.530 178.298 175.800 -0.054 0.000 1.113 137 F CA 1.128 59.103 58.000 -0.040 0.000 1.214 137 F CB -0.739 38.230 39.000 -0.053 0.000 0.978 137 F HN -0.102 nan 8.300 nan 0.000 0.474 138 L N -0.250 121.021 121.223 0.081 0.000 2.261 138 L HA -0.193 4.147 4.340 -0.000 0.000 0.216 138 L C 2.446 179.320 176.870 0.007 0.000 1.114 138 L CA 1.066 55.901 54.840 -0.010 0.000 0.777 138 L CB -0.843 41.145 42.059 -0.117 0.000 0.910 138 L HN 0.224 nan 8.230 nan 0.000 0.440 139 A N -1.425 121.405 122.820 0.018 0.000 1.901 139 A HA -0.100 4.220 4.320 -0.000 0.000 0.210 139 A C 2.224 179.858 177.584 0.084 0.000 1.208 139 A CA 0.466 52.550 52.037 0.078 0.000 0.644 139 A CB -0.353 18.739 19.000 0.154 0.000 0.863 139 A HN 0.297 nan 8.150 nan 0.000 0.454 140 Q N 0.507 120.349 119.800 0.069 0.000 1.956 140 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 140 Q C 2.179 178.226 176.000 0.077 0.000 0.998 140 Q CA 2.610 58.459 55.803 0.076 0.000 0.855 140 Q CB -0.627 28.142 28.738 0.052 0.000 0.928 140 Q HN 0.343 nan 8.270 nan 0.000 0.418 141 V N 1.608 121.572 119.914 0.083 0.000 2.229 141 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 141 V C 1.992 178.114 176.094 0.047 0.000 1.042 141 V CA 2.086 64.428 62.300 0.070 0.000 1.000 141 V CB -0.494 31.377 31.823 0.079 0.000 0.637 141 V HN 0.368 nan 8.190 nan 0.000 0.446 142 E N 0.183 120.405 120.200 0.037 0.000 2.476 142 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 142 E C 1.511 178.127 176.600 0.027 0.000 1.064 142 E CA 0.705 57.117 56.400 0.021 0.000 0.866 142 E CB -0.199 29.503 29.700 0.003 0.000 0.952 142 E HN 0.676 nan 8.360 nan 0.000 0.492 143 G N 1.737 110.564 108.800 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 0.273 175.209 174.900 0.060 0.000 1.022 143 G CA 0.489 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 -0.766 122.091 122.820 0.062 0.000 2.312 144 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 144 A C 0.249 177.901 177.584 0.114 0.000 1.158 144 A CA -0.409 51.666 52.037 0.065 0.000 0.821 144 A CB 1.812 20.828 19.000 0.027 0.000 1.170 144 A HN 1.095 nan 8.150 nan 0.000 0.490 145 V N 3.177 123.168 119.914 0.129 0.000 2.389 145 V HA 0.242 4.362 4.120 -0.000 0.000 0.264 145 V C 0.045 176.259 176.094 0.200 0.000 1.049 145 V CA 0.055 62.465 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 0.721 nan 8.190 nan 0.000 0.475 146 L N 6.475 127.855 121.223 0.262 0.000 2.309 146 L HA 0.735 5.075 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 -0.272 54.753 54.840 0.307 0.000 0.806 146 L CB 1.736 43.907 42.059 0.187 0.000 1.220 146 L HN 0.415 nan 8.230 nan 0.000 0.429 147 V N 3.023 123.197 119.914 0.433 0.000 2.638 147 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 147 V C -0.566 175.814 176.094 0.477 0.000 1.052 147 V CA -0.509 62.048 62.300 0.428 0.000 0.885 147 V CB 1.971 33.952 31.823 0.263 0.000 0.999 147 V HN 0.816 nan 8.190 nan 0.000 0.424 148 S N 5.892 121.917 115.700 0.542 0.000 2.707 148 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 148 S C -0.647 174.182 174.600 0.382 0.000 1.132 148 S CA -0.766 57.751 58.200 0.528 0.000 1.046 148 S CB 1.693 65.314 63.200 0.702 0.000 1.004 148 S HN 0.824 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 -1.333 175.196 176.300 0.382 0.000 1.206 149 M CA -0.315 55.103 55.300 0.198 0.000 0.928 149 M CB 0.390 32.928 32.600 -0.104 0.000 1.571 149 M HN 0.505 nan 8.290 nan 0.000 0.501 150 N N 1.449 120.425 118.700 0.459 0.000 2.399 150 N HA 0.624 5.364 4.740 -0.000 0.000 0.295 150 N C -1.608 174.183 175.510 0.468 0.000 1.048 150 N CA -0.073 53.286 53.050 0.516 0.000 0.886 150 N CB 1.080 39.745 38.487 0.296 0.000 1.185 150 N HN 0.676 nan 8.380 nan 0.000 0.487 151 Y N -1.494 118.932 120.300 0.209 0.000 2.477 151 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 151 Y C -0.050 175.941 175.900 0.152 0.000 0.981 151 Y CA -1.344 56.831 58.100 0.124 0.000 1.033 151 Y CB 0.850 39.324 38.460 0.024 0.000 1.245 151 Y HN 0.201 nan 8.280 nan 0.000 0.455 152 R N 2.588 123.118 120.500 0.049 0.000 2.458 152 R HA 0.355 4.695 4.340 -0.000 0.000 0.303 152 R C 0.150 176.478 176.300 0.046 0.000 1.013 152 R CA -0.005 56.098 56.100 0.005 0.000 1.026 152 R CB 0.257 30.557 30.300 0.000 0.000 0.948 152 R HN 0.729 nan 8.270 nan 0.000 0.417 153 V N 1.083 121.067 119.914 0.117 0.000 3.503 153 V HA 0.778 4.898 4.120 -0.000 0.000 0.294 153 V C 1.113 177.463 176.094 0.427 0.000 1.102 153 V CA -0.130 62.367 62.300 0.327 0.000 0.979 153 V CB 0.658 32.596 31.823 0.192 0.000 1.240 153 V HN 0.949 nan 8.190 nan 0.000 0.444 154 G N 0.985 110.065 108.800 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 0.848 175.842 174.900 0.158 0.000 1.283 154 G CA 1.432 46.728 45.100 0.327 0.000 0.944 154 G HN 1.982 nan 8.290 nan 0.000 0.558 155 T N -0.813 113.549 114.554 -0.320 0.000 2.720 155 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 155 T C 2.110 176.652 174.700 -0.263 0.000 1.037 155 T CA 2.543 64.230 62.100 -0.689 0.000 1.144 155 T CB -0.391 67.902 68.868 -0.958 0.000 0.864 155 T HN 0.506 nan 8.240 nan 0.000 0.444 156 F N 2.201 122.206 119.950 0.093 0.000 2.134 156 F HA 0.173 4.700 4.527 -0.000 0.000 0.299 156 F C 2.821 178.623 175.800 0.003 0.000 1.097 156 F CA 0.759 58.803 58.000 0.073 0.000 1.264 156 F CB -1.213 37.779 39.000 -0.012 0.000 1.001 156 F HN 0.305 nan 8.300 nan 0.000 0.479 157 G N -1.295 107.574 108.800 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 1.049 175.523 174.900 -0.709 0.000 1.156 157 G CA 0.484 45.399 45.100 -0.309 0.000 0.802 157 G HN 0.369 nan 8.290 nan 0.000 0.534 158 F N -0.504 119.501 119.950 0.092 0.000 2.817 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.333 158 F C 0.668 176.508 175.800 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 -0.089 nan 8.300 nan 0.000 0.564 159 L N 2.249 123.478 121.223 0.011 0.000 2.601 159 L HA 0.329 4.669 4.340 -0.000 0.000 0.277 159 L C -0.018 176.794 176.870 -0.096 0.000 1.219 159 L CA 0.039 54.759 54.840 -0.200 0.000 0.915 159 L CB 0.153 41.786 42.059 -0.710 0.000 1.160 159 L HN 0.156 nan 8.230 nan 0.000 0.494 160 A N 5.604 128.434 122.820 0.017 0.000 2.475 160 A HA 0.733 5.053 4.320 -0.000 0.000 0.301 160 A C -1.343 176.219 177.584 -0.037 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 3.130 124.321 121.223 -0.053 0.000 2.445 161 L HA 0.364 4.704 4.340 -0.000 0.000 0.252 161 L C -2.241 174.620 176.870 -0.015 0.000 1.105 161 L CA -1.329 53.488 54.840 -0.038 0.000 0.943 161 L CB 1.340 43.367 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 1.273 64.377 63.100 0.006 0.000 0.758 162 P CB 0.700 32.404 31.700 0.007 0.000 0.763 163 G N 1.756 110.564 108.800 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 0.380 175.288 174.900 0.013 0.000 0.998 163 G CA 0.327 45.435 45.100 0.014 0.000 0.621 163 G HN 0.908 nan 8.290 nan 0.000 0.519 164 S N 0.000 115.706 115.700 0.009 0.000 2.585 164 S HA 0.547 5.016 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 0.560 58.766 58.200 0.010 0.000 1.028 164 S CB 1.782 64.981 63.200 -0.001 0.000 0.906 164 S HN 0.461 nan 8.310 nan 0.000 0.528 165 R N 0.748 121.262 120.500 0.023 0.000 2.100 165 R HA 0.004 4.344 4.340 -0.000 0.000 0.220 165 R C 1.409 177.733 176.300 0.040 0.000 1.091 165 R CA 1.283 57.401 56.100 0.031 0.000 0.986 165 R CB -0.066 30.250 30.300 0.028 0.000 0.888 165 R HN 0.919 nan 8.270 nan 0.000 0.444 166 E N -1.009 119.218 120.200 0.044 0.000 2.474 166 E HA 0.112 4.462 4.350 -0.000 0.000 0.195 166 E C -0.358 176.304 176.600 0.104 0.000 1.039 166 E CA 0.138 56.580 56.400 0.071 0.000 0.881 166 E CB 1.220 30.964 29.700 0.074 0.000 0.970 166 E HN 0.165 nan 8.360 nan 0.000 0.486 167 A N 2.514 125.366 122.820 0.054 0.000 3.330 167 A HA 0.281 4.601 4.320 -0.000 0.000 0.256 167 A C -2.356 175.226 177.584 -0.003 0.000 1.185 167 A CA -0.746 51.306 52.037 0.025 0.000 0.940 167 A CB 0.815 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 0.275 nan 4.420 nan 0.000 0.251 168 P C 0.822 178.137 177.300 0.025 0.000 1.223 168 P CA 1.340 64.455 63.100 0.025 0.000 0.796 168 P CB 0.452 32.175 31.700 0.039 0.000 1.068 169 G N 1.226 110.036 108.800 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 -0.052 174.835 174.900 -0.022 0.000 1.343 169 G CA -0.289 44.822 45.100 0.018 0.000 0.826 169 G HN 0.133 nan 8.290 nan 0.000 0.582 170 N N -2.405 116.277 118.700 -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 2.410 55.367 53.050 -0.155 0.000 0.851 170 N CB -1.663 36.685 38.487 -0.231 0.000 1.136 170 N HN 1.931 nan 8.380 nan 0.000 0.572 171 V N -2.516 117.232 119.914 -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 -0.866 30.901 31.823 -0.094 0.000 0.693 171 V HN 0.283 nan 8.190 nan 0.000 0.479 172 G N 0.127 108.571 108.800 -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 -0.040 0.000 1.131 172 G CA 0.996 45.900 45.100 -0.327 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.129 120.989 121.223 -0.176 0.000 2.095 173 L HA 0.131 4.471 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 0.296 55.046 54.840 -0.149 0.000 0.759 173 L CB -0.315 41.362 42.059 -0.637 0.000 0.914 173 L HN 0.158 nan 8.230 nan 0.000 0.439 174 L N -0.314 120.912 121.223 0.005 0.000 2.127 174 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 174 L C 2.163 179.142 176.870 0.181 0.000 1.089 174 L CA 1.055 56.000 54.840 0.175 0.000 0.757 174 L CB -0.745 41.390 42.059 0.125 0.000 0.899 174 L HN 0.316 nan 8.230 nan 0.000 0.434 175 D N 0.217 120.709 120.400 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 1.345 55.516 54.000 0.285 0.000 0.828 175 D CB -0.291 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 0.135 120.012 119.800 0.128 0.000 2.096 176 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 176 Q C 2.252 178.219 176.000 -0.055 0.000 0.982 176 Q CA 1.318 57.107 55.803 -0.023 0.000 0.850 176 Q CB -0.225 28.479 28.738 -0.058 0.000 0.901 176 Q HN 0.265 nan 8.270 nan 0.000 0.422 177 R N 1.011 121.558 120.500 0.079 0.000 2.081 177 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 177 R C 2.191 178.508 176.300 0.029 0.000 1.131 177 R CA 1.037 57.137 56.100 0.000 0.000 0.960 177 R CB -0.342 30.064 30.300 0.175 0.000 0.856 177 R HN 0.328 nan 8.270 nan 0.000 0.436 178 L N 0.718 122.012 121.223 0.119 0.000 2.046 178 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 178 L C 2.435 179.338 176.870 0.055 0.000 1.077 178 L CA 1.892 56.842 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 0.437 nan 8.230 nan 0.000 0.432 179 A N -0.345 122.294 122.820 -0.303 0.000 1.933 179 A HA -0.223 4.097 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 1.326 52.973 52.037 -0.649 0.000 0.628 179 A CB -0.521 17.888 19.000 -0.985 0.000 0.814 179 A HN 0.397 nan 8.150 nan 0.000 0.444 180 L N 0.015 121.175 121.223 -0.104 0.000 2.017 180 L HA -0.208 4.131 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 2.244 57.070 54.840 -0.024 0.000 0.745 180 L CB -1.100 40.886 42.059 -0.121 0.000 0.894 180 L HN 0.530 nan 8.230 nan 0.000 0.432 181 Q N -2.446 117.410 119.800 0.094 0.000 2.226 181 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 181 Q C 2.070 178.187 176.000 0.195 0.000 0.975 181 Q CA 1.773 57.652 55.803 0.126 0.000 0.866 181 Q CB -0.444 28.369 28.738 0.125 0.000 0.915 181 Q HN 0.649 nan 8.270 nan 0.000 0.440 182 W N 0.506 121.823 121.300 0.029 0.000 2.408 182 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 182 W C 2.048 178.597 176.519 0.049 0.000 1.190 182 W CA 0.837 58.221 57.345 0.065 0.000 1.321 182 W CB -0.320 29.192 29.460 0.088 0.000 1.143 182 W HN -0.118 nan 8.180 nan 0.000 0.501 183 V N 1.275 121.493 119.914 0.505 0.000 2.278 183 V HA -0.403 3.717 4.120 -0.000 0.000 0.251 183 V C 2.490 178.630 176.094 0.078 0.000 1.062 183 V CA 2.691 65.173 62.300 0.302 0.000 1.038 183 V CB -0.834 31.146 31.823 0.263 0.000 0.646 183 V HN 0.335 nan 8.190 nan 0.000 0.447 184 Q N 0.994 120.842 119.800 0.081 0.000 1.998 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.209 184 Q C 1.928 177.914 176.000 -0.024 0.000 1.002 184 Q CA 2.609 58.438 55.803 0.043 0.000 0.858 184 Q CB -0.443 28.326 28.738 0.051 0.000 0.932 184 Q HN 0.922 nan 8.270 nan 0.000 0.416 185 E N -1.507 118.650 120.200 -0.071 0.000 2.365 185 E HA 0.043 4.393 4.350 -0.000 0.000 0.188 185 E C 0.173 176.620 176.600 -0.255 0.000 1.102 185 E CA 0.218 56.542 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 -0.192 0.000 1.421 186 N CA -0.003 52.784 53.050 -0.438 0.000 0.746 186 N CB 0.262 38.047 38.487 -1.170 0.000 1.059 186 N HN 0.108 nan 8.380 nan 0.000 0.518 187 I N 2.565 123.070 120.570 -0.107 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 0.197 0.000 1.189 187 I CA 0.822 62.183 61.300 0.102 0.000 1.462 187 I CB -0.346 37.708 38.000 0.091 0.000 1.092 187 I HN 0.110 nan 8.210 nan 0.000 0.442 188 A N 0.952 123.813 122.820 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 2.359 54.416 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 0.537 nan 8.150 nan 0.000 0.455 189 A N -2.407 120.393 122.820 -0.033 0.000 2.234 189 A HA 0.130 4.449 4.320 -0.000 0.000 0.216 189 A C 1.303 178.647 177.584 -0.400 0.000 1.167 189 A CA 1.210 53.115 52.037 -0.220 0.000 0.698 189 A CB -0.693 18.105 19.000 -0.337 0.000 0.779 189 A HN 0.512 nan 8.150 nan 0.000 0.475 190 F N -1.602 118.291 119.950 -0.095 0.000 2.661 190 F HA 0.402 4.928 4.527 -0.000 0.000 0.306 190 F C 1.644 177.440 175.800 -0.007 0.000 1.094 190 F CA 0.252 58.199 58.000 -0.088 0.000 1.254 190 F CB 0.343 39.291 39.000 -0.086 0.000 1.040 190 F HN 0.279 nan 8.300 nan 0.000 0.562 191 G N 0.462 109.331 108.800 0.116 0.000 2.141 191 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.242 191 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.242 191 G C 0.552 175.515 174.900 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 -0.655 108.226 108.800 0.135 0.000 2.425 192 G HA2 0.504 4.464 3.960 -0.000 0.000 0.302 192 G HA3 0.504 4.464 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 0.068 45.236 45.100 0.114 0.000 0.865 192 G HN 0.198 nan 8.290 nan 0.000 0.515 193 D N 1.397 121.833 120.400 0.060 0.000 2.380 193 D HA 0.268 4.908 4.640 -0.000 0.000 0.230 193 D C -1.073 175.259 176.300 0.055 0.000 1.154 193 D CA -2.364 51.657 54.000 0.035 0.000 0.859 193 D CB 1.803 42.607 40.800 0.006 0.000 1.045 193 D HN 0.054 nan 8.370 nan 0.000 0.495 194 P HA -0.104 nan 4.420 nan 0.000 0.236 194 P C 0.916 178.300 177.300 0.140 0.000 1.172 194 P CA 0.420 63.577 63.100 0.094 0.000 0.759 194 P CB 0.293 32.029 31.700 0.059 0.000 0.843 195 M N -0.755 118.860 119.600 0.024 0.000 2.382 195 M HA 0.100 4.580 4.480 -0.000 0.000 0.247 195 M C 0.820 176.845 176.300 -0.458 0.000 1.104 195 M CA 0.138 55.326 55.300 -0.186 0.000 1.030 195 M CB -0.650 31.846 32.600 -0.173 0.000 1.424 195 M HN -0.108 nan 8.290 nan 0.000 0.486 196 S N 0.430 116.067 115.700 -0.104 0.000 2.204 196 S HA 0.441 4.911 4.470 -0.000 0.000 0.147 196 S C -0.858 173.836 174.600 0.158 0.000 1.711 196 S CA -0.585 57.592 58.200 -0.039 0.000 1.274 196 S CB 0.164 63.306 63.200 -0.097 0.000 1.257 196 S HN -0.081 nan 8.310 nan 0.000 0.404 197 V N 3.224 123.388 119.914 0.418 0.000 2.385 197 V HA 0.447 4.567 4.120 -0.000 0.000 0.269 197 V C 0.272 176.542 176.094 0.293 0.000 1.043 197 V CA -0.080 62.405 62.300 0.308 0.000 0.906 197 V CB 1.288 33.271 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 -0.080 174.797 174.700 0.295 0.000 1.041 198 T CA -0.264 61.979 62.100 0.238 0.000 0.964 198 T CB 0.278 69.222 68.868 0.125 0.000 0.972 198 T HN 0.345 nan 8.240 nan 0.000 0.460 199 L N 4.692 126.089 121.223 0.290 0.000 2.439 199 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 199 L C -0.243 176.874 176.870 0.412 0.000 1.179 199 L CA -0.451 54.527 54.840 0.230 0.000 0.828 199 L CB 0.213 42.241 42.059 -0.052 0.000 1.106 199 L HN 0.629 nan 8.230 nan 0.000 0.467 200 F N 0.527 120.547 119.950 0.117 0.000 2.651 200 F HA 0.810 5.337 4.527 -0.000 0.000 0.329 200 F C -0.526 175.272 175.800 -0.004 0.000 1.186 200 F CA -0.977 57.134 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 2.472 111.089 108.800 -0.306 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 -2.235 172.419 174.900 -0.411 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 -0.112 119.798 120.200 -0.483 0.000 2.285 202 E HA 0.580 4.930 4.350 -0.000 0.000 0.254 202 E C 1.166 177.668 176.600 -0.164 0.000 1.011 202 E CA 0.093 56.406 56.400 -0.145 0.000 0.873 202 E CB 1.983 31.691 29.700 0.013 0.000 1.229 202 E HN 0.526 nan 8.360 nan 0.000 0.422 203 S N 0.439 116.103 115.700 -0.061 0.000 4.103 203 S HA -0.396 4.074 4.470 -0.000 0.000 0.538 203 S C 1.457 176.091 174.600 0.057 0.000 1.351 203 S CA 2.477 60.728 58.200 0.084 0.000 3.695 203 S CB -1.328 61.886 63.200 0.023 0.000 1.942 203 S HN 0.762 nan 8.310 nan 0.000 0.539 204 A N 0.731 123.449 122.820 -0.170 0.000 2.121 204 A HA 0.247 4.567 4.320 -0.000 0.000 0.218 204 A C 2.331 179.648 177.584 -0.446 0.000 1.154 204 A CA 1.878 53.654 52.037 -0.435 0.000 0.679 204 A CB -1.383 16.805 19.000 -1.354 0.000 0.795 204 A HN 1.181 nan 8.150 nan 0.000 0.458 205 G N -0.159 108.410 108.800 -0.384 0.000 2.421 205 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.216 205 G HA3 -0.001 3.959 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 1.293 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 1.409 124.080 122.820 -0.248 0.000 1.883 206 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 206 A C 2.857 180.384 177.584 -0.096 0.000 1.186 206 A CA 2.564 54.529 52.037 -0.121 0.000 0.624 206 A CB -1.009 17.981 19.000 -0.017 0.000 0.822 206 A HN 0.919 nan 8.150 nan 0.000 0.444 207 A N -0.634 122.148 122.820 -0.064 0.000 1.948 207 A HA -0.130 4.190 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 2.314 54.312 52.037 -0.063 0.000 0.636 207 A CB -0.875 18.114 19.000 -0.019 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 -0.096 0.000 2.345 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 208 S C 1.917 176.354 174.600 -0.272 0.000 1.031 208 S CA 1.306 59.400 58.200 -0.176 0.000 0.996 208 S CB -0.609 62.427 63.200 -0.272 0.000 0.882 208 S HN 0.346 nan 8.310 nan 0.000 0.445 209 V N 1.990 121.784 119.914 -0.199 0.000 2.317 209 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 209 V C 2.606 178.628 176.094 -0.120 0.000 1.065 209 V CA 2.070 64.285 62.300 -0.142 0.000 1.049 209 V CB -1.603 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 -1.097 107.642 108.800 -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 1.605 176.476 174.900 -0.049 0.000 1.150 210 G CA 1.252 46.307 45.100 -0.075 0.000 0.763 210 G HN 0.466 nan 8.290 nan 0.000 0.561 211 M N -0.505 119.044 119.600 -0.085 0.000 2.296 211 M HA 0.027 4.507 4.480 -0.000 0.000 0.265 211 M C 2.226 178.552 176.300 0.044 0.000 1.064 211 M CA 1.000 56.299 55.300 -0.002 0.000 1.109 211 M CB -0.205 32.402 32.600 0.011 0.000 1.396 211 M HN 0.385 nan 8.290 nan 0.000 0.430 212 H N -0.071 119.031 119.070 0.052 0.000 2.321 212 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 212 H C 2.022 177.413 175.328 0.105 0.000 1.087 212 H CA 1.528 57.566 56.048 -0.016 0.000 1.319 212 H CB 0.007 29.591 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 0.250 0.000 2.264 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 213 I C 1.433 177.718 176.117 0.280 0.000 1.111 213 I CA 0.652 62.187 61.300 0.392 0.000 1.382 213 I CB 0.006 38.153 38.000 0.245 0.000 1.060 213 I HN 0.270 nan 8.210 nan 0.000 0.418 214 L N -0.315 121.014 121.223 0.177 0.000 2.478 214 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 214 L C 1.144 178.070 176.870 0.093 0.000 1.140 214 L CA 1.009 55.947 54.840 0.162 0.000 0.842 214 L CB -0.828 41.295 42.059 0.106 0.000 0.953 214 L HN 0.012 nan 8.230 nan 0.000 0.452 215 S N -0.532 115.190 115.700 0.038 0.000 2.429 215 S HA 0.286 4.756 4.470 -0.000 0.000 0.302 215 S C 1.099 175.650 174.600 -0.081 0.000 1.115 215 S CA -0.650 57.461 58.200 -0.149 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 7.259 128.434 121.223 -0.079 0.000 1.944 216 L HA 0.013 4.353 4.340 -0.000 0.000 0.218 216 L C -0.688 176.161 176.870 -0.036 0.000 1.075 216 L CA 2.050 56.868 54.840 -0.037 0.000 0.767 216 L CB -2.122 39.917 42.059 -0.034 0.000 0.890 216 L HN 0.492 nan 8.230 nan 0.000 0.434 217 P HA -0.165 nan 4.420 nan 0.000 0.218 217 P C 1.764 179.057 177.300 -0.011 0.000 1.152 217 P CA 1.751 64.824 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 -1.345 114.352 115.700 -0.004 0.000 2.507 218 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 218 S C 1.785 176.560 174.600 0.293 0.000 0.988 218 S CA 0.551 58.818 58.200 0.112 0.000 0.944 218 S CB -0.465 62.836 63.200 0.169 0.000 0.762 218 S HN 0.095 nan 8.310 nan 0.000 0.526 219 R N 2.154 122.767 120.500 0.188 0.000 2.094 219 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 219 R C 2.336 178.525 176.300 -0.184 0.000 1.137 219 R CA 1.793 57.903 56.100 0.017 0.000 0.943 219 R CB -1.588 28.693 30.300 -0.032 0.000 0.850 219 R HN 0.545 nan 8.270 nan 0.000 0.433 220 S N 1.216 116.866 115.700 -0.083 0.000 2.584 220 S HA -0.008 4.462 4.470 -0.000 0.000 0.240 220 S C 1.701 176.235 174.600 -0.111 0.000 0.975 220 S CA 0.656 58.794 58.200 -0.103 0.000 0.949 220 S CB -0.348 62.832 63.200 -0.033 0.000 0.761 220 S HN 0.289 nan 8.310 nan 0.000 0.536 221 L N -0.118 121.090 121.223 -0.025 0.000 2.693 221 L HA 0.516 4.856 4.340 -0.000 0.000 0.235 221 L C -0.067 176.833 176.870 0.050 0.000 1.127 221 L CA -0.485 54.370 54.840 0.024 0.000 0.914 221 L CB -0.294 41.804 42.059 0.066 0.000 1.193 221 L HN 0.404 nan 8.230 nan 0.000 0.502 222 F N -3.028 116.688 119.950 -0.390 0.000 2.713 222 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 222 F C 0.121 175.573 175.800 -0.580 0.000 1.141 222 F CA -1.134 56.630 58.000 -0.393 0.000 0.939 222 F CB 0.909 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 -1.011 118.035 119.070 -0.040 0.000 2.735 223 H HA 0.484 5.040 4.556 -0.000 0.000 0.250 223 H C 0.016 175.312 175.328 -0.054 0.000 0.948 223 H CA -0.133 55.817 56.048 -0.163 0.000 1.137 223 H CB 0.552 30.257 29.762 -0.095 0.000 1.440 223 H HN 0.380 nan 8.280 nan 0.000 0.444 224 R N 0.455 121.077 120.500 0.203 0.000 2.873 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.264 224 R C -1.279 175.282 176.300 0.435 0.000 1.026 224 R CA -0.832 55.386 56.100 0.197 0.000 1.002 224 R CB 2.283 32.483 30.300 -0.167 0.000 1.174 224 R HN 0.214 nan 8.270 nan 0.000 0.488 225 A N 1.090 124.219 122.820 0.515 0.000 2.520 225 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 225 A C -1.425 176.364 177.584 0.343 0.000 1.051 225 A CA -0.583 51.705 52.037 0.417 0.000 0.690 225 A CB 1.727 20.934 19.000 0.345 0.000 1.281 225 A HN 0.346 nan 8.150 nan 0.000 0.402 226 V N 1.515 121.606 119.914 0.295 0.000 2.680 226 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 226 V C -1.113 175.116 176.094 0.225 0.000 1.052 226 V CA -0.502 61.934 62.300 0.228 0.000 0.908 226 V CB 1.630 33.713 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 -0.289 176.687 176.870 0.175 0.000 0.985 227 L CA -0.061 54.850 54.840 0.119 0.000 0.868 227 L CB 1.687 43.765 42.059 0.032 0.000 1.203 227 L HN 0.645 nan 8.230 nan 0.000 0.429 228 Q N 1.388 121.324 119.800 0.227 0.000 2.278 228 Q HA 0.496 4.836 4.340 -0.000 0.000 0.257 228 Q C 0.421 176.513 176.000 0.152 0.000 0.928 228 Q CA -0.611 55.360 55.803 0.281 0.000 0.932 228 Q CB 1.402 30.372 28.738 0.387 0.000 1.221 228 Q HN 0.552 nan 8.270 nan 0.000 0.434 229 S N 0.767 116.548 115.700 0.136 0.000 3.581 229 S HA -0.173 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 0.679 58.984 58.200 0.175 0.000 1.060 229 S CB -1.090 62.182 63.200 0.120 0.000 0.908 229 S HN 0.993 nan 8.310 nan 0.000 0.475 230 G N -0.626 108.282 108.800 0.180 0.000 2.616 230 G HA2 0.602 4.561 3.960 -0.000 0.000 0.294 230 G HA3 0.602 4.561 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 0.220 45.479 45.100 0.265 0.000 0.836 230 G HN 0.823 nan 8.290 nan 0.000 0.527 231 T N -1.541 112.988 114.554 -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 -1.306 60.705 62.100 -0.147 0.000 1.008 231 T CB 2.886 71.648 68.868 -0.175 0.000 1.289 231 T HN 0.296 nan 8.240 nan 0.000 0.514 232 P HA 0.089 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 0.423 63.394 63.100 -0.215 0.000 0.781 232 P CB 0.082 31.705 31.700 -0.127 0.000 0.931 233 N N -0.182 118.361 118.700 -0.263 0.000 2.356 233 N HA 0.003 4.743 4.740 -0.000 0.000 0.178 233 N C 1.194 176.524 175.510 -0.300 0.000 1.075 233 N CA 0.158 53.067 53.050 -0.235 0.000 0.889 233 N CB -0.658 37.733 38.487 -0.161 0.000 0.999 233 N HN -0.081 nan 8.380 nan 0.000 0.464 234 G N 2.265 110.804 108.800 -0.436 0.000 2.466 234 G HA2 0.080 4.040 3.960 -0.000 0.000 0.279 234 G HA3 0.080 4.040 3.960 -0.000 0.000 0.279 234 G C -1.124 173.508 174.900 -0.447 0.000 1.410 234 G CA -0.217 44.596 45.100 -0.478 0.000 1.065 234 G HN 0.170 nan 8.290 nan 0.000 0.547 235 P HA 0.039 nan 4.420 nan 0.000 0.235 235 P C 1.112 178.325 177.300 -0.145 0.000 1.177 235 P CA 1.058 63.995 63.100 -0.272 0.000 0.785 235 P CB 0.119 31.615 31.700 -0.340 0.000 0.885 236 W N -1.738 119.472 121.300 -0.150 0.000 2.868 236 W HA 0.607 5.267 4.660 -0.000 0.000 0.320 236 W C 0.654 177.259 176.519 0.142 0.000 1.076 236 W CA 0.331 57.669 57.345 -0.011 0.000 1.576 236 W CB -0.543 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 1.968 124.528 122.820 -0.434 0.000 2.275 237 A HA 0.297 4.617 4.320 -0.000 0.000 0.212 237 A C 0.746 178.240 177.584 -0.150 0.000 1.201 237 A CA 1.311 53.229 52.037 -0.198 0.000 0.843 237 A CB -0.701 17.858 19.000 -0.734 0.000 0.873 237 A HN 0.199 nan 8.150 nan 0.000 0.492 238 T N -3.244 111.219 114.554 -0.152 0.000 2.853 238 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 238 T C -0.689 173.949 174.700 -0.104 0.000 1.307 238 T CA -0.079 61.926 62.100 -0.158 0.000 1.019 238 T CB 1.314 70.093 68.868 -0.148 0.000 1.264 238 T HN 1.002 nan 8.240 nan 0.000 0.497 239 V N -1.141 118.714 119.914 -0.097 0.000 3.102 239 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 239 V C 0.175 176.234 176.094 -0.059 0.000 1.135 239 V CA -0.741 61.515 62.300 -0.073 0.000 1.022 239 V CB 1.433 33.207 31.823 -0.082 0.000 1.056 239 V HN 1.412 nan 8.190 nan 0.000 0.436 240 S N 1.383 117.054 115.700 -0.047 0.000 2.655 240 S HA 0.726 5.196 4.470 -0.000 0.000 0.265 240 S C 1.358 175.942 174.600 -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 1.865 nan 8.310 nan 0.000 0.562 241 A N 1.189 124.000 122.820 -0.016 0.000 1.851 241 A HA 0.116 4.436 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 1.867 53.899 52.037 -0.009 0.000 0.622 241 A CB -2.035 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 -0.744 108.047 108.800 -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 1.226 46.317 45.100 -0.016 0.000 0.767 242 G HN 0.503 nan 8.290 nan 0.000 0.571 243 E N 0.553 120.733 120.200 -0.032 0.000 2.152 243 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 243 E C 2.957 179.524 176.600 -0.056 0.000 0.983 243 E CA 0.811 57.183 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 0.342 nan 8.360 nan 0.000 0.467 244 A N 1.568 124.363 122.820 -0.043 0.000 1.851 244 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 244 A C 2.246 179.831 177.584 0.003 0.000 1.195 244 A CA 2.026 54.049 52.037 -0.023 0.000 0.622 244 A CB -0.628 18.373 19.000 0.001 0.000 0.831 244 A HN 0.195 nan 8.150 nan 0.000 0.444 245 R N -0.595 119.903 120.500 -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 29.899 30.300 -0.009 0.000 0.850 245 R HN 0.505 nan 8.270 nan 0.000 0.433 246 R N 0.581 121.073 120.500 -0.013 0.000 2.117 246 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 246 R C 1.901 178.195 176.300 -0.009 0.000 1.143 246 R CA 2.224 58.315 56.100 -0.014 0.000 0.968 246 R CB -0.088 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 0.144 4.484 4.340 -0.000 0.000 0.203 247 R C 2.125 178.519 176.300 0.157 0.000 1.011 247 R CA 0.707 56.799 56.100 -0.014 0.000 1.007 247 R CB -0.076 30.083 30.300 -0.235 0.000 0.911 247 R HN 0.179 nan 8.270 nan 0.000 0.468 248 A N 1.307 124.211 122.820 0.141 0.000 1.826 248 A HA -0.165 4.155 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 -1.294 17.712 19.000 0.011 0.000 0.861 248 A HN 0.401 nan 8.150 nan 0.000 0.447 249 T N -1.082 113.469 114.554 -0.005 0.000 2.665 249 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 249 T C 1.801 176.497 174.700 -0.006 0.000 1.035 249 T CA 1.874 63.963 62.100 -0.018 0.000 1.151 249 T CB -0.748 68.111 68.868 -0.015 0.000 0.862 249 T HN 0.401 nan 8.240 nan 0.000 0.438 250 L N 0.982 122.212 121.223 0.013 0.000 2.012 250 L HA 0.123 4.463 4.340 -0.000 0.000 0.210 250 L C 2.458 179.336 176.870 0.014 0.000 1.073 250 L CA 1.838 56.685 54.840 0.013 0.000 0.748 250 L CB -1.197 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 -0.136 121.122 121.223 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 -0.035 0.000 1.073 251 L CA 2.132 56.998 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 -0.262 122.531 122.820 -0.045 0.000 1.859 252 A HA -0.332 3.988 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 2.289 54.293 52.037 -0.056 0.000 0.629 252 A CB -0.894 18.071 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 2.031 178.281 176.300 -0.084 0.000 1.142 253 R CA 1.884 57.954 56.100 -0.049 0.000 0.953 253 R CB -0.534 29.744 30.300 -0.037 0.000 0.860 253 R HN 0.587 nan 8.270 nan 0.000 0.438 254 L N -0.162 120.976 121.223 -0.141 0.000 2.353 254 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 254 L C 1.872 178.569 176.870 -0.289 0.000 1.133 254 L CA 0.513 55.175 54.840 -0.296 0.000 0.798 254 L CB -0.005 41.690 42.059 -0.605 0.000 0.922 254 L HN 0.110 nan 8.230 nan 0.000 0.445 255 V N -0.689 119.142 119.914 -0.139 0.000 3.578 255 V HA 0.251 4.371 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 63.171 62.300 -0.031 0.000 1.083 255 V CB 0.350 32.178 31.823 0.009 0.000 0.911 255 V HN 0.645 nan 8.190 nan 0.000 0.433 256 G N -0.220 108.563 108.800 -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 0.162 175.057 174.900 -0.009 0.000 0.982 256 G CA 0.057 45.150 45.100 -0.012 0.000 0.662 256 G HN 0.486 nan 8.290 nan 0.000 0.527 257 c N 2.978 121.569 118.600 -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 1.338 43.844 42.510 -0.007 0.000 2.278 257 c HN 0.459 nan 8.230 nan 0.000 0.499 258 P HA 0.355 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 -1.422 61.674 63.100 -0.006 0.000 0.811 258 P CB 0.484 32.181 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 0.460 32.162 31.700 0.002 0.000 0.961 260 G N 2.016 110.815 108.800 -0.001 0.000 2.681 260 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.220 260 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.220 260 G C 0.300 175.198 174.900 -0.002 0.000 1.353 260 G CA -0.349 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 0.723 4.682 3.960 -0.000 0.000 0.288 261 G HA3 0.723 4.682 3.960 -0.000 0.000 0.288 261 G C 0.728 175.626 174.900 -0.002 0.000 1.300 261 G CA 1.386 46.485 45.100 -0.002 0.000 1.261 261 G HN 1.698 nan 8.290 nan 0.000 0.591 262 A N -0.018 122.800 122.820 -0.003 0.000 2.495 262 A HA 0.970 5.290 4.320 -0.000 0.000 0.260 262 A C 0.971 178.553 177.584 -0.003 0.000 1.608 262 A CA 0.367 52.403 52.037 -0.002 0.000 0.834 262 A CB 0.135 19.134 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 0.488 4.448 3.960 -0.000 0.000 0.477 263 G HA3 0.488 4.448 3.960 -0.000 0.000 0.477 263 G C 0.755 175.653 174.900 -0.004 0.000 1.349 263 G CA 0.480 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 -0.695 108.102 108.800 -0.005 0.000 2.225 264 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.267 264 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.267 264 G C 0.211 175.109 174.900 -0.003 0.000 1.024 264 G CA 1.149 46.247 45.100 -0.004 0.000 0.784 264 G HN 1.607 nan 8.290 nan 0.000 0.507 265 N N 0.099 118.797 118.700 -0.004 0.000 2.609 265 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 265 N C 0.489 175.996 175.510 -0.004 0.000 1.106 265 N CA -0.380 52.669 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 1.102 121.499 120.400 -0.005 0.000 2.144 266 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 266 D C 1.342 177.639 176.300 -0.006 0.000 0.984 266 D CA 1.573 55.566 54.000 -0.011 0.000 0.834 266 D CB 0.140 40.932 40.800 -0.014 0.000 0.955 266 D HN 0.538 nan 8.370 nan 0.000 0.465 267 T N 1.398 115.955 114.554 0.004 0.000 2.684 267 T HA -0.168 4.182 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 1.242 63.349 62.100 0.013 0.000 1.148 267 T CB -0.313 68.564 68.868 0.014 0.000 0.863 267 T HN 0.334 nan 8.240 nan 0.000 0.436 268 E N 0.849 121.055 120.200 0.009 0.000 2.110 268 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 268 E C 2.262 178.868 176.600 0.010 0.000 0.988 268 E CA 0.684 57.090 56.400 0.010 0.000 0.804 268 E CB -0.334 29.369 29.700 0.006 0.000 0.745 268 E HN 0.375 nan 8.360 nan 0.000 0.458 269 L N 1.255 122.479 121.223 0.001 0.000 1.989 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 269 L C 2.323 179.192 176.870 -0.002 0.000 1.071 269 L CA 1.173 56.008 54.840 -0.009 0.000 0.749 269 L CB -0.165 41.879 42.059 -0.025 0.000 0.890 269 L HN 0.169 nan 8.230 nan 0.000 0.431 270 I N -0.129 120.443 120.570 0.004 0.000 2.315 270 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 270 I C 2.843 179.026 176.117 0.110 0.000 1.117 270 I CA 1.257 62.587 61.300 0.049 0.000 1.404 270 I CB -1.680 36.358 38.000 0.063 0.000 1.071 270 I HN 0.284 nan 8.210 nan 0.000 0.419 271 A N 0.845 123.704 122.820 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 2.114 54.183 52.037 0.054 0.000 0.624 271 A CB -1.401 17.619 19.000 0.032 0.000 0.822 271 A HN 0.585 nan 8.150 nan 0.000 0.444 272 c N -0.667 117.957 118.600 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 1.281 57.630 56.329 0.033 0.000 1.735 272 c CB -1.617 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 0.157 121.428 121.223 0.081 0.000 2.127 273 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 273 L C 2.928 179.907 176.870 0.181 0.000 1.089 273 L CA 1.526 56.447 54.840 0.135 0.000 0.757 273 L CB -0.599 41.556 42.059 0.161 0.000 0.899 273 L HN 0.350 nan 8.230 nan 0.000 0.434 274 R N -0.814 119.785 120.500 0.164 0.000 2.285 274 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 274 R C 2.043 178.341 176.300 -0.002 0.000 1.068 274 R CA 1.495 57.621 56.100 0.044 0.000 1.004 274 R CB -0.064 30.252 30.300 0.027 0.000 0.873 274 R HN 0.466 nan 8.270 nan 0.000 0.467 275 T N -2.121 112.443 114.554 0.017 0.000 3.044 275 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 275 T C 0.623 175.322 174.700 -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 2.777 123.287 120.500 0.017 0.000 2.438 276 R HA 0.324 4.664 4.340 -0.000 0.000 0.287 276 R C -2.620 173.680 176.300 -0.000 0.000 1.077 276 R CA -2.087 54.023 56.100 0.017 0.000 1.034 276 R CB -0.302 30.021 30.300 0.038 0.000 0.993 276 R HN 0.290 nan 8.270 nan 0.000 0.459 277 P HA -0.096 nan 4.420 nan 0.000 0.263 277 P C 0.472 177.736 177.300 -0.060 0.000 1.175 277 P CA 0.348 63.416 63.100 -0.054 0.000 0.761 277 P CB 0.438 32.119 31.700 -0.033 0.000 0.794 278 A N 3.628 126.339 122.820 -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 2.387 54.312 52.037 -0.185 0.000 0.647 278 A CB -1.458 16.928 19.000 -1.023 0.000 0.828 278 A HN 0.554 nan 8.150 nan 0.000 0.455 279 Q N -0.207 119.550 119.800 -0.072 0.000 2.297 279 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 279 Q C 1.183 177.272 176.000 0.148 0.000 0.981 279 Q CA 1.960 57.901 55.803 0.231 0.000 0.876 279 Q CB -0.450 28.411 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 0.197 280 D C 1.331 177.691 176.300 0.100 0.000 0.987 280 D CA 0.786 54.839 54.000 0.088 0.000 0.829 280 D CB 0.010 40.859 40.800 0.081 0.000 0.961 280 D HN 0.216 nan 8.370 nan 0.000 0.460 281 L N 0.346 121.613 121.223 0.073 0.000 1.994 281 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 281 L C 2.521 179.386 176.870 -0.010 0.000 1.071 281 L CA 0.950 55.783 54.840 -0.013 0.000 0.745 281 L CB -1.293 40.650 42.059 -0.194 0.000 0.892 281 L HN 0.011 nan 8.230 nan 0.000 0.431 282 V N 0.071 120.047 119.914 0.104 0.000 2.453 282 V HA -0.302 3.818 4.120 -0.000 0.000 0.252 282 V C 2.269 178.399 176.094 0.059 0.000 1.068 282 V CA 1.670 64.055 62.300 0.143 0.000 1.070 282 V CB -0.599 31.426 31.823 0.336 0.000 0.664 282 V HN 0.404 nan 8.190 nan 0.000 0.461 283 D N -1.059 119.350 120.400 0.014 0.000 2.182 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 283 D C 1.887 177.940 176.300 -0.411 0.000 0.986 283 D CA 1.303 55.214 54.000 -0.149 0.000 0.847 283 D CB -0.174 40.514 40.800 -0.186 0.000 0.942 283 D HN 0.529 nan 8.370 nan 0.000 0.467 284 H N -0.095 118.895 119.070 -0.133 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 -0.079 55.803 56.048 -0.276 0.000 1.177 284 H CB 0.676 30.398 29.762 -0.066 0.000 1.471 284 H HN 0.293 nan 8.280 nan 0.000 0.538 285 E N 0.698 120.805 120.200 -0.156 0.000 2.095 285 E HA -0.238 4.112 4.350 -0.000 0.000 0.212 285 E C 0.862 177.266 176.600 -0.327 0.000 1.044 285 E CA 1.637 57.882 56.400 -0.259 0.000 0.857 285 E CB -0.057 29.279 29.700 -0.606 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 2.961 286 W HA -0.001 4.658 4.660 -0.000 0.000 0.240 286 W C 1.241 177.866 176.519 0.177 0.000 1.305 286 W CA 0.173 57.519 57.345 0.002 0.000 1.465 286 W CB 0.033 29.469 29.460 -0.039 0.000 1.135 286 W HN 0.253 nan 8.180 nan 0.000 0.688 287 H N -0.460 118.752 119.070 0.237 0.000 2.517 287 H HA 0.070 4.626 4.556 -0.000 0.000 0.282 287 H C 1.574 176.973 175.328 0.118 0.000 1.023 287 H CA 0.183 56.344 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 -2.109 117.914 119.914 0.182 0.000 3.528 288 V HA 0.216 4.336 4.120 -0.000 0.000 0.294 288 V C 0.517 176.617 176.094 0.010 0.000 1.404 288 V CA -0.261 62.081 62.300 0.071 0.000 1.065 288 V CB -0.205 31.636 31.823 0.030 0.000 0.904 288 V HN 0.136 nan 8.190 nan 0.000 0.435 289 L N 2.266 123.522 121.223 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 -0.857 53.998 54.840 0.026 0.000 0.843 289 L CB 0.814 42.918 42.059 0.076 0.000 1.107 289 L HN 0.157 nan 8.230 nan 0.000 0.487 290 P HA 0.030 nan 4.420 nan 0.000 0.240 290 P C -0.526 176.773 177.300 -0.001 0.000 1.190 290 P CA 0.598 63.695 63.100 -0.005 0.000 0.781 290 P CB 0.698 32.387 31.700 -0.017 0.000 0.931 291 Q N -1.289 118.511 119.800 -0.001 0.000 2.511 291 Q HA 0.324 4.664 4.340 -0.000 0.000 0.289 291 Q C -0.733 175.264 176.000 -0.004 0.000 1.021 291 Q CA -0.739 55.062 55.803 -0.004 0.000 0.785 291 Q CB 1.432 30.163 28.738 -0.011 0.000 1.472 291 Q HN -0.081 nan 8.270 nan 0.000 0.411 292 E N 0.833 121.028 120.200 -0.008 0.000 2.384 292 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 292 E C -0.919 175.665 176.600 -0.028 0.000 1.012 292 E CA 0.229 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 3.155 118.829 115.700 -0.043 0.000 2.656 293 S HA 0.562 5.032 4.470 -0.000 0.000 0.265 293 S C -0.749 173.799 174.600 -0.087 0.000 1.132 293 S CA -0.961 57.203 58.200 -0.060 0.000 0.819 293 S CB 0.344 63.507 63.200 -0.061 0.000 1.119 293 S HN 0.566 nan 8.310 nan 0.000 0.476 294 I N -3.271 117.242 120.570 -0.094 0.000 2.865 294 I HA 0.795 4.965 4.170 -0.000 0.000 0.302 294 I C -0.486 175.552 176.117 -0.130 0.000 1.140 294 I CA -1.185 60.059 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 1.668 121.378 119.950 -0.400 0.000 3.027 295 F HA -0.205 4.322 4.527 -0.000 0.000 0.276 295 F C -0.068 175.212 175.800 -0.866 0.000 0.967 295 F CA 0.804 58.346 58.000 -0.763 0.000 0.929 295 F CB -0.742 37.720 39.000 -0.896 0.000 0.873 295 F HN 0.731 nan 8.300 nan 0.000 0.787 296 R N 0.772 120.745 120.500 -0.878 0.000 2.548 296 R HA 0.678 5.018 4.340 -0.000 0.000 0.280 296 R C -1.546 174.296 176.300 -0.764 0.000 1.061 296 R CA -0.403 55.334 56.100 -0.605 0.000 0.915 296 R CB 1.009 31.174 30.300 -0.225 0.000 1.210 296 R HN -0.023 nan 8.270 nan 0.000 0.442 297 F N 1.001 121.095 119.950 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 -0.852 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 0.643 116.378 115.700 0.058 0.000 2.355 298 S HA -0.015 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 0.347 nan 8.310 nan 0.000 0.453 299 F N 1.464 121.418 119.950 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 -0.919 57.099 58.000 0.031 0.000 0.962 299 F CB 1.733 40.761 39.000 0.047 0.000 1.171 299 F HN -0.081 nan 8.300 nan 0.000 0.436 300 V N 0.854 120.679 119.914 -0.148 0.000 3.258 300 V HA 0.708 4.828 4.120 -0.000 0.000 0.299 300 V C -2.990 172.631 176.094 -0.788 0.000 1.376 300 V CA -3.026 58.769 62.300 -0.840 0.000 1.063 300 V CB 1.890 33.492 31.823 -0.368 0.000 1.103 300 V HN 0.280 nan 8.190 nan 0.000 0.451 301 P HA 0.150 nan 4.420 nan 0.000 0.264 301 P C -0.579 176.583 177.300 -0.229 0.000 1.179 301 P CA 0.520 63.334 63.100 -0.476 0.000 0.763 301 P CB 0.528 31.901 31.700 -0.546 0.000 0.806 302 V N 4.541 124.406 119.914 -0.082 0.000 2.715 302 V HA 0.260 4.380 4.120 -0.000 0.000 0.310 302 V C -0.325 175.757 176.094 -0.021 0.000 1.054 302 V CA -0.937 61.336 62.300 -0.045 0.000 0.928 302 V CB 2.303 34.127 31.823 0.001 0.000 1.007 302 V HN 0.143 nan 8.190 nan 0.000 0.437 303 V N 6.991 126.893 119.914 -0.020 0.000 2.287 303 V HA 0.171 4.291 4.120 -0.000 0.000 0.246 303 V C 0.683 176.789 176.094 0.019 0.000 1.165 303 V CA 0.293 62.595 62.300 0.004 0.000 1.088 303 V CB 0.042 31.859 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 0.042 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 0.907 54.934 54.000 0.045 0.000 0.867 304 D CB 0.023 40.862 40.800 0.065 0.000 0.960 304 D HN 0.682 nan 8.370 nan 0.000 0.509 305 G N 0.484 109.317 108.800 0.055 0.000 2.165 305 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 305 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 305 G C 0.032 174.964 174.900 0.054 0.000 1.035 305 G CA 0.531 45.658 45.100 0.045 0.000 0.744 305 G HN 0.547 nan 8.290 nan 0.000 0.501 306 D N -2.126 118.324 120.400 0.084 0.000 2.756 306 D HA 0.294 4.934 4.640 -0.000 0.000 0.148 306 D C 1.583 177.963 176.300 0.132 0.000 1.444 306 D CA 0.271 54.327 54.000 0.094 0.000 1.556 306 D CB -0.564 40.304 40.800 0.113 0.000 1.646 306 D HN 0.079 nan 8.370 nan 0.000 0.205 307 F N 1.239 121.209 119.950 0.034 0.000 2.161 307 F HA 0.202 4.729 4.527 -0.000 0.000 0.300 307 F C 0.142 175.961 175.800 0.032 0.000 1.089 307 F CA 1.218 59.242 58.000 0.040 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 0.273 121.655 121.223 0.265 0.000 2.325 308 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 308 L C 1.215 178.134 176.870 0.082 0.000 1.004 308 L CA -0.385 54.545 54.840 0.150 0.000 0.823 308 L CB 1.713 43.854 42.059 0.137 0.000 1.236 308 L HN -0.105 nan 8.230 nan 0.000 0.415 309 S N 0.160 115.890 115.700 0.050 0.000 2.453 309 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 309 S C 0.354 174.972 174.600 0.029 0.000 1.005 309 S CA 0.300 58.521 58.200 0.034 0.000 0.949 309 S CB 0.028 63.240 63.200 0.020 0.000 0.774 309 S HN 0.762 nan 8.310 nan 0.000 0.510 310 D N -0.079 120.340 120.400 0.032 0.000 2.713 310 D HA 0.217 4.857 4.640 -0.000 0.000 0.306 310 D C -1.238 175.074 176.300 0.019 0.000 1.299 310 D CA -0.341 53.672 54.000 0.022 0.000 0.823 310 D CB 1.251 42.062 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 -1.580 173.119 174.700 -0.002 0.000 1.082 311 T CA -0.752 61.343 62.100 -0.009 0.000 1.133 311 T CB 0.418 69.274 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 1.491 178.781 177.300 -0.017 0.000 1.153 312 P CA 1.019 64.106 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 0.003 120.181 120.200 -0.036 0.000 2.021 313 E HA -0.210 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 0.073 nan 8.360 nan 0.000 0.454 314 A N 0.374 123.202 122.820 0.013 0.000 1.927 314 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 314 A C 2.335 179.953 177.584 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 -0.439 120.826 121.223 0.070 0.000 2.005 315 L HA -0.154 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 56.706 54.840 0.130 0.000 0.744 315 L CB -0.739 41.399 42.059 0.130 0.000 0.895 315 L HN 0.668 nan 8.230 nan 0.000 0.433 316 I N -2.325 118.364 120.570 0.199 0.000 2.916 316 I HA -0.197 3.973 4.170 -0.000 0.000 0.267 316 I C 2.171 178.446 176.117 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 1.608 177.182 175.510 0.108 0.000 1.017 317 N CA 1.870 54.987 53.050 0.112 0.000 0.866 317 N CB 0.068 38.593 38.487 0.063 0.000 0.985 317 N HN 0.551 nan 8.380 nan 0.000 0.429 318 T N -2.977 111.629 114.554 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 -0.427 61.681 62.100 0.013 0.000 0.901 318 T CB 0.223 69.090 68.868 -0.000 0.000 1.112 318 T HN 0.157 nan 8.240 nan 0.000 0.535 319 G N 0.539 109.257 108.800 -0.136 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 -0.880 173.406 174.900 -1.024 0.000 1.216 319 G CA -0.409 44.314 45.100 -0.628 0.000 0.845 319 G HN 0.330 nan 8.290 nan 0.000 0.568 320 D N 0.836 120.698 120.400 -0.895 0.000 2.443 320 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 320 D C -0.495 175.412 176.300 -0.656 0.000 1.097 320 D CA -0.462 53.189 54.000 -0.582 0.000 0.865 320 D CB 0.550 41.185 40.800 -0.274 0.000 1.034 320 D HN 0.123 nan 8.370 nan 0.000 0.511 321 F N 1.644 121.612 119.950 0.030 0.000 2.850 321 F HA 0.191 4.718 4.527 -0.000 0.000 0.306 321 F C 1.506 177.330 175.800 0.040 0.000 1.162 321 F CA -0.554 57.469 58.000 0.039 0.000 1.327 321 F CB 0.041 39.073 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 0.080 176.120 176.000 0.068 0.000 1.382 322 Q CA 0.840 56.687 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 0.765 nan 8.270 nan 0.000 0.545 323 D N 0.171 120.628 120.400 0.095 0.000 3.877 323 D HA -0.148 4.492 4.640 -0.000 0.000 0.447 323 D C 0.086 176.443 176.300 0.096 0.000 0.389 323 D CA -0.340 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 0.353 nan 8.370 nan 0.000 0.192 324 L N 1.662 122.963 121.223 0.130 0.000 2.601 324 L HA 0.066 4.406 4.340 -0.000 0.000 0.277 324 L C -0.125 176.857 176.870 0.187 0.000 1.219 324 L CA 0.921 55.852 54.840 0.151 0.000 0.915 324 L CB 0.503 42.684 42.059 0.204 0.000 1.160 324 L HN 0.122 nan 8.230 nan 0.000 0.494 325 Q N 2.839 122.765 119.800 0.210 0.000 2.241 325 Q HA 0.573 4.913 4.340 -0.000 0.000 0.254 325 Q C -1.226 175.084 176.000 0.517 0.000 0.917 325 Q CA -0.286 55.724 55.803 0.346 0.000 0.919 325 Q CB 2.353 31.246 28.738 0.259 0.000 1.237 325 Q HN 0.412 nan 8.270 nan 0.000 0.434 326 V N 3.293 123.458 119.914 0.418 0.000 2.668 326 V HA 0.353 4.473 4.120 -0.000 0.000 0.304 326 V C -1.062 174.933 176.094 -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 33.734 31.823 0.108 0.000 1.008 326 V HN 0.686 nan 8.190 nan 0.000 0.425 327 L N 5.479 126.342 121.223 -0.600 0.000 2.325 327 L HA 0.878 5.218 4.340 -0.000 0.000 0.279 327 L C -1.131 175.655 176.870 -0.140 0.000 1.054 327 L CA -0.248 54.229 54.840 -0.605 0.000 0.804 327 L CB 1.728 43.044 42.059 -1.239 0.000 1.200 327 L HN 0.522 nan 8.230 nan 0.000 0.436 328 V N 3.347 123.276 119.914 0.025 0.000 3.049 328 V HA 0.929 5.049 4.120 -0.000 0.000 0.309 328 V C 0.108 176.082 176.094 -0.199 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 -0.099 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 0.711 4.671 3.960 -0.000 0.000 0.308 329 G HA3 0.711 4.671 3.960 -0.000 0.000 0.308 329 G C -2.015 172.440 174.900 -0.742 0.000 1.286 329 G CA -0.209 43.963 45.100 -1.546 0.000 0.825 329 G HN 0.847 nan 8.290 nan 0.000 0.479 330 V N -1.115 118.468 119.914 -0.551 0.000 3.264 330 V HA 0.646 4.766 4.120 -0.000 0.000 0.294 330 V C -0.273 175.938 176.094 0.195 0.000 1.429 330 V CA -0.227 62.041 62.300 -0.053 0.000 1.053 330 V CB 1.990 33.750 31.823 -0.105 0.000 1.128 330 V HN 1.411 nan 8.190 nan 0.000 0.452 331 V N -0.027 120.031 119.914 0.240 0.000 3.193 331 V HA 0.594 4.713 4.120 -0.000 0.000 0.320 331 V C 1.169 177.423 176.094 0.265 0.000 1.112 331 V CA -0.354 62.147 62.300 0.334 0.000 1.026 331 V CB 1.331 33.343 31.823 0.314 0.000 1.128 331 V HN 0.829 nan 8.190 nan 0.000 0.452 332 K N 0.163 120.737 120.400 0.290 0.000 2.001 332 K HA -0.146 4.174 4.320 -0.000 0.000 0.214 332 K C 0.052 176.770 176.600 0.196 0.000 1.050 332 K CA 2.449 58.869 56.287 0.221 0.000 0.934 332 K CB -0.143 32.484 32.500 0.212 0.000 0.718 332 K HN 0.977 nan 8.250 nan 0.000 0.443 333 D N 0.703 121.226 120.400 0.205 0.000 2.634 333 D HA 0.070 4.710 4.640 -0.000 0.000 0.318 333 D C 0.349 176.777 176.300 0.214 0.000 1.226 333 D CA -0.201 53.915 54.000 0.194 0.000 0.899 333 D CB 1.195 42.107 40.800 0.186 0.000 1.025 333 D HN 0.049 nan 8.370 nan 0.000 0.501 334 E N 1.113 121.447 120.200 0.222 0.000 2.055 334 E HA -0.242 4.108 4.350 -0.000 0.000 0.209 334 E C 2.270 179.056 176.600 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 29.214 29.700 0.200 0.000 0.767 334 E HN 0.529 nan 8.360 nan 0.000 0.461 335 G N 1.429 110.345 108.800 0.193 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 0.301 0.000 1.115 335 G CA 1.781 47.004 45.100 0.205 0.000 0.751 335 G HN 0.381 nan 8.290 nan 0.000 0.567 336 S N 0.406 116.261 115.700 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 1.553 59.890 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 2.573 122.773 120.300 -0.167 0.000 2.030 337 Y HA -0.288 4.262 4.550 -0.000 0.000 0.272 337 Y C 1.973 177.718 175.900 -0.257 0.000 1.185 337 Y CA 1.916 59.744 58.100 -0.453 0.000 1.120 337 Y CB -0.950 37.153 38.460 -0.596 0.000 0.955 337 Y HN 0.230 nan 8.280 nan 0.000 0.495 338 F N -0.148 119.813 119.950 0.019 0.000 2.373 338 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 338 F C 2.042 177.818 175.800 -0.040 0.000 1.080 338 F CA 1.009 58.968 58.000 -0.069 0.000 1.417 338 F CB -0.713 38.246 39.000 -0.069 0.000 1.070 338 F HN 0.109 nan 8.300 nan 0.000 0.546 339 L N -0.324 120.958 121.223 0.098 0.000 2.156 339 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 339 L C 2.550 179.445 176.870 0.041 0.000 1.095 339 L CA 0.885 55.666 54.840 -0.099 0.000 0.770 339 L CB -0.903 40.866 42.059 -0.484 0.000 0.914 339 L HN 0.176 nan 8.230 nan 0.000 0.439 340 V N -3.504 116.505 119.914 0.159 0.000 2.490 340 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 340 V C 1.471 177.547 176.094 -0.031 0.000 1.061 340 V CA 1.214 63.612 62.300 0.163 0.000 1.064 340 V CB -1.262 30.668 31.823 0.179 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 1.597 177.428 175.900 -0.116 0.000 1.069 341 Y CA 0.384 58.395 58.100 -0.148 0.000 1.662 341 Y CB -0.178 38.142 38.460 -0.232 0.000 1.561 341 Y HN 0.486 nan 8.280 nan 0.000 0.483 342 G N -1.438 107.375 108.800 0.021 0.000 2.559 342 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.202 342 G HA3 -0.135 3.825 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 -0.460 44.645 45.100 0.008 0.000 0.764 342 G HN 0.044 nan 8.290 nan 0.000 0.525 343 V N 3.023 122.980 119.914 0.071 0.000 2.311 343 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 343 V C -1.953 174.317 176.094 0.293 0.000 1.022 343 V CA -1.840 60.537 62.300 0.127 0.000 0.830 343 V CB 1.424 33.245 31.823 -0.004 0.000 1.012 343 V HN 0.113 nan 8.190 nan 0.000 0.452 344 P HA 0.145 nan 4.420 nan 0.000 0.260 344 P C 1.064 178.434 177.300 0.115 0.000 1.172 344 P CA 1.468 64.640 63.100 0.120 0.000 0.760 344 P CB 0.533 32.270 31.700 0.061 0.000 0.773 345 G N 1.754 110.565 108.800 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 -0.172 174.540 174.900 -0.313 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 1.778 121.729 119.950 0.002 0.000 2.399 346 F HA 0.745 5.272 4.527 -0.000 0.000 0.334 346 F C 0.722 176.613 175.800 0.151 0.000 1.097 346 F CA 0.073 58.100 58.000 0.045 0.000 1.076 346 F CB 2.162 41.218 39.000 0.092 0.000 1.162 346 F HN 0.330 nan 8.300 nan 0.000 0.495 347 S N 1.385 117.343 115.700 0.431 0.000 2.565 347 S HA 0.305 4.775 4.470 -0.000 0.000 0.269 347 S C -0.023 174.878 174.600 0.501 0.000 1.153 347 S CA -0.870 57.570 58.200 0.399 0.000 0.835 347 S CB 1.691 65.031 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 0.270 0.000 2.418 348 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 348 K C 0.108 176.692 176.600 -0.026 0.000 1.035 348 K CA 0.829 57.141 56.287 0.041 0.000 1.003 348 K CB -0.145 32.125 32.500 -0.382 0.000 0.793 348 K HN 0.484 nan 8.250 nan 0.000 0.494 349 D N 1.118 121.520 120.400 0.004 0.000 2.333 349 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 349 D C -0.039 176.301 176.300 0.067 0.000 0.984 349 D CA 0.489 54.478 54.000 -0.017 0.000 0.873 349 D CB 0.069 40.838 40.800 -0.051 0.000 0.935 349 D HN 0.467 nan 8.370 nan 0.000 0.521 350 N N -0.773 118.015 118.700 0.148 0.000 2.701 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.290 350 N C 0.328 175.962 175.510 0.207 0.000 1.338 350 N CA -0.613 52.508 53.050 0.120 0.000 0.799 350 N CB 0.743 39.254 38.487 0.041 0.000 1.491 350 N HN -0.313 nan 8.380 nan 0.000 0.540 351 E N -0.432 119.815 120.200 0.079 0.000 2.511 351 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 351 E C -0.514 175.825 176.600 -0.434 0.000 1.066 351 E CA 0.365 56.757 56.400 -0.014 0.000 0.871 351 E CB -0.359 29.337 29.700 -0.008 0.000 0.863 351 E HN 0.616 nan 8.360 nan 0.000 0.520 352 S N 0.837 116.315 115.700 -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 0.095 57.937 58.200 -0.595 0.000 1.229 352 S CB -1.117 61.565 63.200 -0.863 0.000 0.917 352 S HN 0.159 nan 8.310 nan 0.000 0.496 353 L N 2.077 123.072 121.223 -0.380 0.000 2.401 353 L HA 0.414 4.754 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 41.024 42.059 -0.174 0.000 1.283 353 L HN 0.636 nan 8.230 nan 0.000 0.442 354 I N -0.342 120.007 120.570 -0.368 0.000 2.945 354 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 354 I C 1.022 177.056 176.117 -0.139 0.000 1.093 354 I CA -0.254 60.866 61.300 -0.300 0.000 1.336 354 I CB 0.985 38.743 38.000 -0.403 0.000 1.435 354 I HN 0.556 nan 8.210 nan 0.000 0.593 355 S N 3.902 119.550 115.700 -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 -0.365 57.814 58.200 -0.035 0.000 0.985 355 S CB 1.305 64.493 63.200 -0.020 0.000 0.968 355 S HN 0.869 nan 8.310 nan 0.000 0.568 356 R N 0.389 120.902 120.500 0.022 0.000 2.057 356 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 356 R C 2.608 178.995 176.300 0.145 0.000 1.136 356 R CA 1.346 57.484 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 0.858 nan 8.270 nan 0.000 0.430 357 A N 1.025 123.899 122.820 0.090 0.000 1.948 357 A HA -0.276 4.044 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 1.639 53.727 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 0.477 nan 8.150 nan 0.000 0.449 358 Q N -1.874 117.977 119.800 0.085 0.000 1.993 358 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 358 Q C 1.987 178.072 176.000 0.142 0.000 0.984 358 Q CA 1.706 57.559 55.803 0.084 0.000 0.837 358 Q CB -0.376 28.383 28.738 0.033 0.000 0.902 358 Q HN 0.763 nan 8.270 nan 0.000 0.423 359 F N 1.278 121.256 119.950 0.047 0.000 2.120 359 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 359 F C 1.713 177.548 175.800 0.058 0.000 1.095 359 F CA 1.035 59.079 58.000 0.073 0.000 1.249 359 F CB -0.108 38.921 39.000 0.048 0.000 0.995 359 F HN 0.035 nan 8.300 nan 0.000 0.480 360 L N 0.536 121.868 121.223 0.181 0.000 2.079 360 L HA -0.187 4.153 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 56.782 54.840 0.054 0.000 0.752 360 L CB -2.332 39.801 42.059 0.123 0.000 0.896 360 L HN 0.348 nan 8.230 nan 0.000 0.433 361 A N -0.527 122.280 122.820 -0.021 0.000 1.929 361 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 361 A C 2.462 180.005 177.584 -0.068 0.000 1.176 361 A CA 1.307 53.329 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 -0.057 108.689 108.800 -0.090 0.000 2.491 362 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 362 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 362 G C 1.527 176.306 174.900 -0.201 0.000 1.180 362 G CA 1.435 46.464 45.100 -0.118 0.000 0.774 362 G HN 0.323 nan 8.290 nan 0.000 0.562 363 V N 1.400 121.111 119.914 -0.338 0.000 2.370 363 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 363 V C 2.977 178.987 176.094 -0.140 0.000 1.068 363 V CA 2.184 64.314 62.300 -0.283 0.000 1.061 363 V CB -0.412 31.214 31.823 -0.327 0.000 0.656 363 V HN 0.366 nan 8.190 nan 0.000 0.455 364 R N -0.615 119.824 120.500 -0.102 0.000 2.153 364 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 364 R C 2.074 178.342 176.300 -0.054 0.000 1.072 364 R CA 1.078 57.143 56.100 -0.058 0.000 0.990 364 R CB -0.524 29.754 30.300 -0.036 0.000 0.889 364 R HN 0.455 nan 8.270 nan 0.000 0.452 365 I N 0.433 120.966 120.570 -0.062 0.000 2.277 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 365 I C 2.390 178.470 176.117 -0.061 0.000 1.094 365 I CA 1.393 62.662 61.300 -0.053 0.000 1.393 365 I CB -0.568 37.403 38.000 -0.048 0.000 1.078 365 I HN 0.199 nan 8.210 nan 0.000 0.417 366 G N 0.221 108.970 108.800 -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 0.807 175.676 174.900 -0.051 0.000 1.121 366 G CA 0.578 45.626 45.100 -0.086 0.000 0.766 366 G HN 0.283 nan 8.290 nan 0.000 0.553 367 V N 1.471 121.352 119.914 -0.054 0.000 2.502 367 V HA 0.200 4.320 4.120 -0.000 0.000 0.261 367 V C -1.469 174.608 176.094 -0.029 0.000 0.996 367 V CA -0.979 61.289 62.300 -0.054 0.000 1.095 367 V CB 1.582 33.353 31.823 -0.086 0.000 1.325 367 V HN 0.045 nan 8.190 nan 0.000 0.574 368 P HA -0.212 nan 4.420 nan 0.000 0.219 368 P C 1.331 178.626 177.300 -0.010 0.000 1.146 368 P CA 1.276 64.367 63.100 -0.016 0.000 0.808 368 P CB 0.392 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 -0.606 28.140 28.738 0.014 0.000 1.025 369 Q HN 0.045 nan 8.270 nan 0.000 0.511 370 A N 2.318 125.125 122.820 -0.022 0.000 2.450 370 A HA 0.363 4.683 4.320 -0.000 0.000 0.255 370 A C 0.581 178.150 177.584 -0.025 0.000 1.096 370 A CA 0.136 52.153 52.037 -0.033 0.000 0.778 370 A CB 0.298 19.276 19.000 -0.038 0.000 1.031 370 A HN 0.530 nan 8.150 nan 0.000 0.494 371 S N 1.919 117.601 115.700 -0.029 0.000 2.634 371 S HA 0.073 4.543 4.470 -0.000 0.000 0.254 371 S C 0.545 175.140 174.600 -0.008 0.000 1.299 371 S CA 0.290 58.479 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 0.048 120.449 120.400 0.002 0.000 2.084 372 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 0.985 372 D CA 0.944 54.953 54.000 0.015 0.000 0.826 372 D CB -0.481 40.330 40.800 0.019 0.000 0.978 372 D HN 0.358 nan 8.370 nan 0.000 0.456 373 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 0.033 0.000 0.760 373 L CB -1.032 41.040 42.059 0.022 0.000 0.889 373 L HN -0.024 nan 8.230 nan 0.000 0.433 374 A N -1.043 121.775 122.820 -0.003 0.000 1.902 374 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 374 A C 2.449 180.048 177.584 0.025 0.000 1.181 374 A CA 1.977 53.999 52.037 -0.025 0.000 0.623 374 A CB -1.115 17.833 19.000 -0.086 0.000 0.818 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.402 122.433 122.820 0.025 0.000 1.883 375 A HA -0.210 4.110 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 2.100 54.165 52.037 0.045 0.000 0.624 375 A CB -0.607 18.409 19.000 0.026 0.000 0.822 375 A HN 0.580 nan 8.150 nan 0.000 0.444 376 E N -0.302 119.961 120.200 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 1.651 58.137 56.400 0.143 0.000 0.809 376 E CB -0.396 29.374 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 2.115 54.302 52.037 0.249 0.000 0.637 377 A CB -1.063 18.155 19.000 0.363 0.000 0.827 377 A HN 0.209 nan 8.150 nan 0.000 0.450 378 V N -0.370 119.723 119.914 0.298 0.000 2.332 378 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 378 V C 2.537 178.862 176.094 0.385 0.000 1.055 378 V CA 1.987 64.487 62.300 0.334 0.000 1.038 378 V CB -0.948 31.005 31.823 0.217 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 -0.246 3.874 4.120 -0.000 0.000 0.248 379 V C 2.315 178.641 176.094 0.386 0.000 1.055 379 V CA 1.883 64.424 62.300 0.401 0.000 1.049 379 V CB -0.555 31.481 31.823 0.355 0.000 0.662 379 V HN 0.501 nan 8.190 nan 0.000 0.455 380 L N -0.209 121.242 121.223 0.380 0.000 1.989 380 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 380 L C 2.574 179.642 176.870 0.329 0.000 1.071 380 L CA 2.682 57.809 54.840 0.477 0.000 0.749 380 L CB -0.590 41.616 42.059 0.246 0.000 0.890 380 L HN 0.453 nan 8.230 nan 0.000 0.431 381 H N -1.379 117.691 119.070 0.000 0.000 2.353 381 H HA -0.221 4.335 4.556 -0.000 0.000 0.300 381 H C 1.617 176.855 175.328 -0.149 0.000 1.090 381 H CA 2.465 58.364 56.048 -0.248 0.000 1.327 381 H CB -0.066 29.217 29.762 -0.799 0.000 1.383 381 H HN 0.446 nan 8.280 nan 0.000 0.508 382 Y N -0.677 119.736 120.300 0.189 0.000 2.462 382 Y HA 0.148 4.698 4.550 -0.000 0.000 0.261 382 Y C 0.808 176.721 175.900 0.021 0.000 1.146 382 Y CA 0.043 58.264 58.100 0.200 0.000 1.283 382 Y CB 0.449 39.150 38.460 0.401 0.000 1.090 382 Y HN 0.006 nan 8.280 nan 0.000 0.526 383 T N 1.214 115.718 114.554 -0.083 0.000 2.919 383 T HA -0.011 4.339 4.350 -0.000 0.000 0.302 383 T C -0.340 173.941 174.700 -0.699 0.000 1.031 383 T CA -0.215 61.529 62.100 -0.593 0.000 1.127 383 T CB 0.432 68.520 68.868 -1.300 0.000 0.952 383 T HN 0.094 nan 8.240 nan 0.000 0.540 384 D N 1.751 121.743 120.400 -0.679 0.000 2.428 384 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 384 D C 0.141 176.150 176.300 -0.484 0.000 1.123 384 D CA -0.854 52.798 54.000 -0.581 0.000 0.869 384 D CB 0.185 40.530 40.800 -0.758 0.000 1.032 384 D HN 0.591 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 -0.019 4.641 4.660 -0.000 0.000 0.248 385 W C 1.798 178.207 176.519 -0.183 0.000 1.259 385 W CA -0.265 56.995 57.345 -0.140 0.000 1.288 385 W CB 0.042 29.434 29.460 -0.113 0.000 1.136 385 W HN 0.430 nan 8.180 nan 0.000 0.640 386 L N -0.409 120.743 121.223 -0.119 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 -0.637 0.000 1.108 386 L CA 1.395 56.020 54.840 -0.359 0.000 0.830 386 L CB -0.186 41.618 42.059 -0.424 0.000 0.959 386 L HN 0.062 nan 8.230 nan 0.000 0.457 387 H N -0.571 118.416 119.070 -0.139 0.000 2.514 387 H HA 0.201 4.757 4.556 -0.000 0.000 0.226 387 H C -1.933 173.266 175.328 -0.215 0.000 1.421 387 H CA -0.984 54.975 56.048 -0.148 0.000 1.394 387 H CB 0.369 30.040 29.762 -0.152 0.000 1.701 387 H HN 0.010 nan 8.280 nan 0.000 0.515 388 P HA -0.090 nan 4.420 nan 0.000 0.244 388 P C 0.157 177.346 177.300 -0.185 0.000 1.211 388 P CA 0.901 63.845 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 -0.994 119.147 120.200 -0.098 0.000 2.676 389 E HA 0.043 4.393 4.350 -0.000 0.000 0.225 389 E C -0.071 176.494 176.600 -0.057 0.000 0.944 389 E CA -0.186 56.171 56.400 -0.072 0.000 1.156 389 E CB -0.036 29.642 29.700 -0.036 0.000 1.117 389 E HN 0.163 nan 8.360 nan 0.000 0.523 390 D N 4.112 124.486 120.400 -0.044 0.000 2.412 390 D HA -0.019 4.621 4.640 -0.000 0.000 0.257 390 D C -1.063 175.209 176.300 -0.046 0.000 1.217 390 D CA -1.421 52.554 54.000 -0.042 0.000 0.897 390 D CB 1.234 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 1.277 64.328 63.100 -0.082 0.000 0.883 391 P CB -0.016 31.627 31.700 -0.094 0.000 0.788 392 T N -1.128 113.389 114.554 -0.062 0.000 2.699 392 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 392 T C 1.838 176.525 174.700 -0.022 0.000 1.036 392 T CA 2.035 64.106 62.100 -0.047 0.000 1.147 392 T CB -1.056 67.798 68.868 -0.023 0.000 0.862 392 T HN 0.340 nan 8.240 nan 0.000 0.446 393 H N 0.583 119.606 119.070 -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 1.253 57.260 56.048 -0.069 0.000 1.323 393 H CB -0.467 29.234 29.762 -0.102 0.000 1.381 393 H HN 0.208 nan 8.280 nan 0.000 0.498 394 L N 0.270 121.457 121.223 -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 1.896 56.645 54.840 -0.151 0.000 0.763 394 L CB -0.581 41.405 42.059 -0.121 0.000 0.890 394 L HN 0.354 nan 8.230 nan 0.000 0.434 395 R N 0.429 120.941 120.500 0.021 0.000 2.122 395 R HA -0.233 4.107 4.340 -0.000 0.000 0.236 395 R C 1.880 178.267 176.300 0.144 0.000 1.129 395 R CA 2.587 58.735 56.100 0.080 0.000 0.925 395 R CB -0.617 29.610 30.300 -0.121 0.000 0.850 395 R HN 0.385 nan 8.270 nan 0.000 0.431 396 D N 0.141 120.559 120.400 0.029 0.000 2.221 396 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 396 D C 1.697 178.029 176.300 0.053 0.000 0.982 396 D CA 1.329 55.359 54.000 0.049 0.000 0.857 396 D CB -0.279 40.515 40.800 -0.010 0.000 0.934 396 D HN 0.432 nan 8.370 nan 0.000 0.475 397 A N 0.776 123.595 122.820 -0.002 0.000 1.877 397 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 397 A C 2.120 179.861 177.584 0.261 0.000 1.186 397 A CA 1.258 53.396 52.037 0.168 0.000 0.620 397 A CB -0.426 18.665 19.000 0.151 0.000 0.822 397 A HN 0.054 nan 8.150 nan 0.000 0.443 398 M N 0.302 120.105 119.600 0.338 0.000 2.073 398 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 398 M C 2.475 178.776 176.300 0.001 0.000 1.070 398 M CA 2.142 57.521 55.300 0.131 0.000 1.103 398 M CB -1.287 31.426 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 -0.132 4.338 4.470 -0.000 0.000 0.229 399 S C 1.974 176.620 174.600 0.076 0.000 1.030 399 S CA 1.792 60.043 58.200 0.084 0.000 1.002 399 S CB -0.307 63.015 63.200 0.202 0.000 0.829 399 S HN 0.531 nan 8.310 nan 0.000 0.467 400 A N 0.724 123.611 122.820 0.112 0.000 1.897 400 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 400 A C 2.359 179.961 177.584 0.030 0.000 1.181 400 A CA 1.530 53.670 52.037 0.172 0.000 0.620 400 A CB -1.005 18.235 19.000 0.399 0.000 0.821 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.127 119.637 119.914 -0.251 0.000 2.282 401 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 401 V C 2.578 178.547 176.094 -0.209 0.000 1.057 401 V CA 2.197 64.274 62.300 -0.371 0.000 1.032 401 V CB -0.980 30.606 31.823 -0.395 0.000 0.645 401 V HN 0.377 nan 8.190 nan 0.000 0.447 402 V N 0.879 120.685 119.914 -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 -0.293 0.000 1.047 402 V CA 2.296 64.466 62.300 -0.217 0.000 1.015 402 V CB -1.523 30.211 31.823 -0.149 0.000 0.642 402 V HN 0.603 nan 8.190 nan 0.000 0.446 403 G N -0.312 108.394 108.800 -0.156 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 -0.190 0.000 1.146 403 G CA 1.061 46.081 45.100 -0.133 0.000 0.769 403 G HN 0.526 nan 8.290 nan 0.000 0.547 404 D N -0.384 119.926 120.400 -0.149 0.000 2.123 404 D HA -0.049 4.591 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 1.015 54.896 54.000 -0.198 0.000 0.831 404 D CB -0.420 40.431 40.800 0.085 0.000 0.974 404 D HN 0.366 nan 8.370 nan 0.000 0.469 405 H N 1.150 119.625 119.070 -0.991 0.000 2.353 405 H HA 0.013 4.569 4.556 -0.000 0.000 0.300 405 H C 1.497 176.354 175.328 -0.786 0.000 1.090 405 H CA 1.606 56.857 56.048 -1.329 0.000 1.327 405 H CB 0.106 29.073 29.762 -1.324 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.871 117.316 118.700 -0.856 0.000 2.439 406 N HA -0.004 4.736 4.740 -0.000 0.000 0.176 406 N C 1.584 176.797 175.510 -0.495 0.000 1.029 406 N CA 1.161 53.675 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 0.252 nan 8.380 nan 0.000 0.437 407 V N 0.216 119.884 119.914 -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 0.330 62.537 62.300 -0.154 0.000 1.204 407 V CB -0.457 31.348 31.823 -0.030 0.000 1.003 407 V HN -0.143 nan 8.190 nan 0.000 0.499 408 V N 0.399 120.234 119.914 -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 2.640 64.877 62.300 -0.105 0.000 1.003 408 V CB -1.089 30.701 31.823 -0.054 0.000 0.634 408 V HN 0.665 nan 8.190 nan 0.000 0.444 409 c N 0.145 118.666 118.600 -0.131 0.000 2.413 409 c HA -0.063 4.507 4.570 -0.000 0.000 0.276 409 c C 0.624 174.650 174.090 -0.107 0.000 1.248 409 c CA 1.287 57.570 56.329 -0.078 0.000 1.742 409 c CB -2.215 40.284 42.510 -0.018 0.000 2.017 409 c HN 0.497 nan 8.230 nan 0.000 0.481 410 P HA -0.057 nan 4.420 nan 0.000 0.217 410 P C 1.771 178.979 177.300 -0.152 0.000 1.150 410 P CA 1.278 64.274 63.100 -0.174 0.000 0.832 410 P CB -0.224 31.333 31.700 -0.237 0.000 0.787 411 V N 0.457 120.282 119.914 -0.147 0.000 2.261 411 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 411 V C 2.536 178.515 176.094 -0.192 0.000 1.047 411 V CA 2.419 64.624 62.300 -0.160 0.000 1.015 411 V CB -1.744 29.980 31.823 -0.165 0.000 0.642 411 V HN 0.105 nan 8.190 nan 0.000 0.446 412 A N -0.410 122.308 122.820 -0.169 0.000 1.933 412 A HA -0.296 4.023 4.320 -0.000 0.000 0.218 412 A C 2.174 179.690 177.584 -0.113 0.000 1.175 412 A CA 2.138 54.075 52.037 -0.167 0.000 0.628 412 A CB -0.559 18.396 19.000 -0.074 0.000 0.814 412 A HN 0.579 nan 8.150 nan 0.000 0.444 413 Q N -0.522 119.232 119.800 -0.077 0.000 2.124 413 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 413 Q C 1.780 177.738 176.000 -0.070 0.000 0.977 413 Q CA 1.858 57.634 55.803 -0.045 0.000 0.850 413 Q CB -0.457 28.256 28.738 -0.042 0.000 0.901 413 Q HN 0.546 nan 8.270 nan 0.000 0.429 414 L N -0.158 120.993 121.223 -0.120 0.000 2.068 414 L HA 0.139 4.479 4.340 -0.000 0.000 0.204 414 L C 2.116 178.895 176.870 -0.152 0.000 1.076 414 L CA 1.817 56.575 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 0.231 nan 8.230 nan 0.000 0.439 415 A N -0.058 122.625 122.820 -0.228 0.000 1.869 415 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 415 A C 2.353 179.852 177.584 -0.142 0.000 1.203 415 A CA 2.177 54.013 52.037 -0.334 0.000 0.638 415 A CB -1.828 16.679 19.000 -0.822 0.000 0.831 415 A HN 0.539 nan 8.150 nan 0.000 0.450 416 G N -1.255 107.515 108.800 -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 1.727 176.702 174.900 0.124 0.000 1.168 416 G CA 0.961 46.182 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 0.031 4.371 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 0.611 56.757 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 -0.057 4.283 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 2.037 56.896 54.840 0.031 0.000 0.744 418 L CB -1.366 40.635 42.059 -0.096 0.000 0.893 418 L HN 0.125 nan 8.230 nan 0.000 0.433 419 A N -0.550 122.350 122.820 0.134 0.000 1.869 419 A HA -0.278 4.042 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 2.543 54.674 52.037 0.157 0.000 0.638 419 A CB -1.267 17.866 19.000 0.223 0.000 0.831 419 A HN 0.474 nan 8.150 nan 0.000 0.450 420 A N -1.743 121.159 122.820 0.137 0.000 2.032 420 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 420 A C 2.032 179.687 177.584 0.118 0.000 1.165 420 A CA 2.148 54.253 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 0.581 nan 8.150 nan 0.000 0.453 421 Q N -2.472 117.430 119.800 0.170 0.000 2.360 421 Q HA 0.336 4.676 4.340 -0.000 0.000 0.202 421 Q C 1.155 177.243 176.000 0.147 0.000 0.915 421 Q CA 0.926 56.832 55.803 0.171 0.000 0.943 421 Q CB 0.446 29.367 28.738 0.304 0.000 1.064 421 Q HN 0.803 nan 8.270 nan 0.000 0.511 422 G N -1.326 107.562 108.800 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 0.256 175.241 174.900 0.142 0.000 1.015 422 G CA -0.350 44.822 45.100 0.120 0.000 0.743 422 G HN 0.483 nan 8.290 nan 0.000 0.476 423 A N 0.697 123.632 122.820 0.191 0.000 2.547 423 A HA 0.515 4.835 4.320 -0.000 0.000 0.233 423 A C 0.779 178.450 177.584 0.143 0.000 1.067 423 A CA 1.189 53.332 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 1.058 nan 8.150 nan 0.000 0.506 424 R N 1.735 122.332 120.500 0.162 0.000 2.215 424 R HA 0.524 4.864 4.340 -0.000 0.000 0.336 424 R C -1.508 174.906 176.300 0.190 0.000 0.996 424 R CA -0.323 55.869 56.100 0.154 0.000 0.847 424 R CB 0.555 30.978 30.300 0.205 0.000 1.127 424 R HN 0.451 nan 8.270 nan 0.000 0.465 425 V N 4.925 124.899 119.914 0.099 0.000 2.769 425 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 425 V C -1.003 175.128 176.094 0.063 0.000 1.058 425 V CA -0.711 61.668 62.300 0.132 0.000 0.952 425 V CB 1.643 33.537 31.823 0.118 0.000 1.019 425 V HN 0.635 nan 8.190 nan 0.000 0.445 426 Y N 0.822 121.172 120.300 0.084 0.000 2.545 426 Y HA 0.832 5.381 4.550 -0.000 0.000 0.348 426 Y C 0.227 176.368 175.900 0.400 0.000 1.002 426 Y CA -0.557 57.709 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 0.819 nan 8.280 nan 0.000 0.467 427 A N 1.834 125.118 122.820 0.773 0.000 2.527 427 A HA 0.925 5.245 4.320 -0.000 0.000 0.293 427 A C -1.969 175.851 177.584 0.394 0.000 1.117 427 A CA -0.724 51.562 52.037 0.414 0.000 0.723 427 A CB 1.766 20.877 19.000 0.185 0.000 1.313 427 A HN 0.886 nan 8.150 nan 0.000 0.411 428 Y N -1.572 118.825 120.300 0.162 0.000 2.725 428 Y HA 0.799 5.349 4.550 -0.000 0.000 0.333 428 Y C -1.636 174.331 175.900 0.112 0.000 1.242 428 Y CA -1.489 56.640 58.100 0.049 0.000 1.059 428 Y CB 1.200 39.703 38.460 0.070 0.000 1.306 428 Y HN 0.406 nan 8.280 nan 0.000 0.454 429 I N 3.045 123.877 120.570 0.438 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 0.479 0.000 1.061 429 I CA -0.757 60.747 61.300 0.340 0.000 1.091 429 I CB 1.097 39.225 38.000 0.213 0.000 1.205 429 I HN 0.705 nan 8.210 nan 0.000 0.459 430 F N 6.314 126.552 119.950 0.481 0.000 2.541 430 F HA 0.112 4.639 4.527 -0.000 0.000 0.378 430 F C 1.119 177.082 175.800 0.271 0.000 1.068 430 F CA 0.805 59.026 58.000 0.369 0.000 1.199 430 F CB 0.608 39.831 39.000 0.371 0.000 1.091 430 F HN 0.510 nan 8.300 nan 0.000 0.555 431 E N 2.809 123.016 120.200 0.011 0.000 2.601 431 E HA -0.027 4.323 4.350 -0.000 0.000 0.219 431 E C -0.729 175.895 176.600 0.040 0.000 0.964 431 E CA -0.204 56.250 56.400 0.090 0.000 1.050 431 E CB 0.231 29.977 29.700 0.076 0.000 1.068 431 E HN 0.495 nan 8.360 nan 0.000 0.496 432 H N 2.080 120.976 119.070 -0.289 0.000 2.604 432 H HA 0.201 4.757 4.556 -0.000 0.000 0.306 432 H C -0.342 175.080 175.328 0.156 0.000 1.075 432 H CA -0.589 55.368 56.048 -0.152 0.000 1.357 432 H CB 0.445 30.044 29.762 -0.272 0.000 1.426 432 H HN -0.127 nan 8.280 nan 0.000 0.470 433 R N 4.405 124.765 120.500 -0.233 0.000 2.216 433 R HA 0.479 4.819 4.340 -0.000 0.000 0.332 433 R C -0.516 175.580 176.300 -0.340 0.000 1.056 433 R CA -0.527 55.503 56.100 -0.117 0.000 0.901 433 R CB 0.213 30.534 30.300 0.035 0.000 1.039 433 R HN 0.776 nan 8.270 nan 0.000 0.456 434 A N 3.231 126.064 122.820 0.021 0.000 2.531 434 A HA 0.018 4.338 4.320 -0.000 0.000 0.236 434 A C 1.322 179.033 177.584 0.210 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 0.651 0.000 0.995 434 A HN 1.037 nan 8.150 nan 0.000 0.501 435 S N 1.142 117.016 115.700 0.289 0.000 2.402 435 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 435 S C 1.640 176.283 174.600 0.073 0.000 1.021 435 S CA 1.700 60.008 58.200 0.179 0.000 0.974 435 S CB -1.068 62.253 63.200 0.201 0.000 0.800 435 S HN 1.269 nan 8.310 nan 0.000 0.484 436 T N 0.063 114.625 114.554 0.014 0.000 3.035 436 T HA 0.162 4.512 4.350 -0.000 0.000 0.268 436 T C 0.889 175.564 174.700 -0.043 0.000 1.109 436 T CA -0.188 61.855 62.100 -0.095 0.000 1.119 436 T CB -0.689 67.993 68.868 -0.310 0.000 0.900 436 T HN 0.264 nan 8.240 nan 0.000 0.503 437 L N 4.163 125.409 121.223 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 1.257 56.125 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 0.601 115.127 114.554 -0.048 0.000 3.107 438 T HA 0.044 4.394 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 -0.426 61.640 62.100 -0.058 0.000 1.012 438 T CB -0.135 68.568 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 -2.165 174.270 176.519 -0.140 0.000 1.257 439 W CA -2.274 55.071 57.345 0.001 0.000 1.324 439 W CB 0.057 29.456 29.460 -0.102 0.000 1.144 439 W HN -0.094 nan 8.180 nan 0.000 0.622 440 P HA -0.059 nan 4.420 nan 0.000 0.272 440 P C 0.799 178.034 177.300 -0.109 0.000 1.223 440 P CA -0.279 62.761 63.100 -0.100 0.000 0.784 440 P CB 0.791 32.374 31.700 -0.195 0.000 0.923 441 L N 2.441 123.675 121.223 0.017 0.000 2.043 441 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 441 L C 2.271 179.213 176.870 0.120 0.000 1.075 441 L CA 2.156 57.040 54.840 0.073 0.000 0.752 441 L CB -1.445 40.683 42.059 0.116 0.000 0.891 441 L HN 0.675 nan 8.230 nan 0.000 0.432 442 W N -0.053 121.304 121.300 0.096 0.000 2.336 442 W HA -0.256 4.404 4.660 -0.000 0.000 0.277 442 W C 1.656 178.241 176.519 0.110 0.000 1.211 442 W CA 0.733 58.138 57.345 0.101 0.000 1.187 442 W CB -1.031 28.491 29.460 0.102 0.000 1.132 442 W HN 0.210 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 1.948 178.239 176.300 -0.016 0.000 1.128 443 M CA 1.002 56.160 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 0.149 nan 8.290 nan 0.000 0.494 444 G N 1.307 110.133 108.800 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 0.107 175.053 174.900 0.077 0.000 1.226 444 G CA 0.244 45.398 45.100 0.089 0.000 0.979 444 G HN 0.280 nan 8.290 nan 0.000 0.549 445 V N 4.097 124.090 119.914 0.132 0.000 2.257 445 V HA 0.443 4.563 4.120 -0.000 0.000 0.269 445 V C -1.818 174.388 176.094 0.187 0.000 1.040 445 V CA -0.885 61.528 62.300 0.188 0.000 0.813 445 V CB 1.388 33.387 31.823 0.293 0.000 1.065 445 V HN 0.434 nan 8.190 nan 0.000 0.457 446 P HA 0.113 nan 4.420 nan 0.000 0.272 446 P C -0.227 177.253 177.300 0.299 0.000 1.230 446 P CA -0.338 62.830 63.100 0.113 0.000 0.788 446 P CB 0.355 31.937 31.700 -0.197 0.000 0.949 447 H N 1.054 120.190 119.070 0.109 0.000 3.167 447 H HA 0.209 4.765 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 -0.663 29.138 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 0.419 175.084 174.900 -0.392 0.000 0.979 448 G CA 0.409 45.200 45.100 -0.516 0.000 0.641 448 G HN 0.656 nan 8.290 nan 0.000 0.530 449 Y N 1.478 121.788 120.300 0.017 0.000 2.596 449 Y HA 0.288 4.838 4.550 -0.000 0.000 0.316 449 Y C 2.136 178.000 175.900 -0.061 0.000 1.156 449 Y CA 0.753 58.916 58.100 0.106 0.000 1.300 449 Y CB 0.272 38.853 38.460 0.201 0.000 1.130 449 Y HN 0.567 nan 8.280 nan 0.000 0.518 450 E N -0.289 119.719 120.200 -0.320 0.000 2.340 450 E HA -0.044 4.306 4.350 -0.000 0.000 0.198 450 E C 1.602 178.036 176.600 -0.277 0.000 0.961 450 E CA 0.496 56.372 56.400 -0.873 0.000 0.905 450 E CB -0.230 28.836 29.700 -1.057 0.000 0.884 450 E HN 0.434 nan 8.360 nan 0.000 0.491 451 I N 2.195 122.691 120.570 -0.124 0.000 2.118 451 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 451 I C 2.279 178.373 176.117 -0.037 0.000 1.070 451 I CA 1.926 63.221 61.300 -0.009 0.000 1.327 451 I CB -1.413 36.663 38.000 0.126 0.000 1.034 451 I HN 0.123 nan 8.210 nan 0.000 0.405 452 E N 1.367 121.488 120.200 -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 -0.488 0.000 1.027 452 E CA 1.911 58.120 56.400 -0.318 0.000 0.830 452 E CB -0.580 28.890 29.700 -0.382 0.000 0.751 452 E HN 0.476 nan 8.360 nan 0.000 0.456 453 F N 1.166 120.998 119.950 -0.197 0.000 2.060 453 F HA -0.155 4.372 4.527 -0.000 0.000 0.295 453 F C 2.532 178.127 175.800 -0.341 0.000 1.120 453 F CA 0.745 58.570 58.000 -0.292 0.000 1.205 453 F CB -0.462 38.395 39.000 -0.240 0.000 0.986 453 F HN -0.061 nan 8.300 nan 0.000 0.470 454 I N -0.386 120.036 120.570 -0.247 0.000 2.145 454 I HA -0.338 3.832 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 1.948 62.930 61.300 -0.529 0.000 1.332 454 I CB -1.544 35.967 38.000 -0.815 0.000 1.033 454 I HN 0.107 nan 8.210 nan 0.000 0.410 455 F N 0.900 120.668 119.950 -0.303 0.000 2.365 455 F HA 0.036 4.563 4.527 -0.000 0.000 0.300 455 F C 1.951 177.632 175.800 -0.198 0.000 1.090 455 F CA 1.282 59.142 58.000 -0.233 0.000 1.408 455 F CB -0.376 38.474 39.000 -0.250 0.000 1.060 455 F HN 0.340 nan 8.300 nan 0.000 0.534 456 G N -0.381 108.283 108.800 -0.227 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 -0.865 0.000 1.013 456 G CA 0.128 44.980 45.100 -0.414 0.000 0.705 456 G HN 0.236 nan 8.290 nan 0.000 0.508 457 L N 0.325 121.125 121.223 -0.705 0.000 2.187 457 L HA 0.063 4.403 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 2.618 57.042 54.840 -0.693 0.000 0.765 457 L CB -0.884 40.992 42.059 -0.305 0.000 0.904 457 L HN 0.248 nan 8.230 nan 0.000 0.437 458 P HA -0.110 nan 4.420 nan 0.000 0.223 458 P C 1.783 178.893 177.300 -0.316 0.000 1.151 458 P CA 0.828 63.464 63.100 -0.773 0.000 0.787 458 P CB 0.067 31.120 31.700 -1.078 0.000 0.788 459 L N -0.814 120.158 121.223 -0.419 0.000 2.187 459 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 459 L C 1.111 177.910 176.870 -0.118 0.000 1.100 459 L CA 1.202 55.897 54.840 -0.243 0.000 0.765 459 L CB -1.212 40.707 42.059 -0.234 0.000 0.904 459 L HN -0.008 nan 8.230 nan 0.000 0.437 460 D N -0.327 119.972 120.400 -0.169 0.000 2.339 460 D HA 0.058 4.698 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 -2.018 52.017 54.000 0.058 0.000 0.877 460 D CB 1.500 42.385 40.800 0.141 0.000 1.111 460 D HN -0.072 nan 8.370 nan 0.000 0.478 461 P HA -0.129 nan 4.420 nan 0.000 0.218 461 P C 1.436 178.767 177.300 0.050 0.000 1.149 461 P CA 1.018 64.156 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 -0.229 115.500 115.700 0.047 0.000 2.356 462 S HA -0.158 4.312 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 1.092 59.306 58.200 0.023 0.000 1.005 462 S CB -1.736 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 2.319 123.549 121.223 0.013 0.000 2.189 463 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 463 L C 0.658 177.464 176.870 -0.107 0.000 1.097 463 L CA 1.297 56.117 54.840 -0.033 0.000 0.764 463 L CB -1.545 40.551 42.059 0.060 0.000 0.900 463 L HN 0.815 nan 8.230 nan 0.000 0.436 464 N N -2.720 115.971 118.700 -0.014 0.000 2.573 464 N HA -0.277 4.463 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 0.417 53.461 53.050 -0.011 0.000 0.717 464 N CB -1.685 36.783 38.487 -0.030 0.000 0.899 464 N HN 0.284 nan 8.380 nan 0.000 0.546 465 Y N 0.360 120.671 120.300 0.018 0.000 2.771 465 Y HA 0.634 5.184 4.550 -0.000 0.000 0.359 465 Y C 1.692 177.647 175.900 0.092 0.000 1.247 465 Y CA -0.061 58.083 58.100 0.073 0.000 1.324 465 Y CB 0.387 38.902 38.460 0.092 0.000 1.539 465 Y HN 0.487 nan 8.280 nan 0.000 0.698 466 T N -3.174 111.587 114.554 0.346 0.000 2.943 466 T HA 0.216 4.566 4.350 -0.000 0.000 0.284 466 T C 0.672 175.480 174.700 0.181 0.000 1.015 466 T CA -0.346 61.880 62.100 0.210 0.000 1.042 466 T CB 1.320 70.297 68.868 0.182 0.000 1.055 466 T HN 0.606 nan 8.240 nan 0.000 0.500 467 T N 1.491 116.115 114.554 0.117 0.000 2.699 467 T HA -0.136 4.213 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 1.919 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 0.794 nan 8.240 nan 0.000 0.446 468 E N 1.542 121.790 120.200 0.080 0.000 2.038 468 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 468 E C 2.331 179.005 176.600 0.123 0.000 1.000 468 E CA 1.290 57.719 56.400 0.048 0.000 0.803 468 E CB -0.310 29.378 29.700 -0.020 0.000 0.750 468 E HN 0.612 nan 8.360 nan 0.000 0.448 469 E N 0.529 120.855 120.200 0.209 0.000 2.097 469 E HA -0.269 4.080 4.350 -0.000 0.000 0.196 469 E C 2.224 178.997 176.600 0.287 0.000 1.000 469 E CA 1.056 57.698 56.400 0.404 0.000 0.804 469 E CB -0.200 29.859 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 2.396 178.740 176.300 0.073 0.000 1.137 470 R CA 1.514 57.646 56.100 0.052 0.000 0.943 470 R CB -0.344 29.983 30.300 0.045 0.000 0.846 470 R HN 0.121 nan 8.270 nan 0.000 0.431 471 I N 0.672 121.302 120.570 0.100 0.000 2.163 471 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 471 I C 2.399 178.617 176.117 0.169 0.000 1.085 471 I CA 1.152 62.509 61.300 0.095 0.000 1.347 471 I CB -0.542 37.502 38.000 0.073 0.000 1.044 471 I HN 0.200 nan 8.210 nan 0.000 0.408 472 F N 2.231 122.187 119.950 0.009 0.000 2.043 472 F HA -0.346 4.181 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 1.456 59.465 58.000 0.014 0.000 1.202 472 F CB -1.127 37.844 39.000 -0.048 0.000 0.965 472 F HN 0.086 nan 8.300 nan 0.000 0.482 473 A N 0.478 123.363 122.820 0.109 0.000 1.884 473 A HA -0.321 3.999 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 2.396 54.407 52.037 -0.044 0.000 0.637 473 A CB -1.189 17.756 19.000 -0.091 0.000 0.827 473 A HN 0.680 nan 8.150 nan 0.000 0.450 474 Q N -1.184 118.617 119.800 0.001 0.000 2.112 474 Q HA -0.253 4.087 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 1.749 57.547 55.803 -0.008 0.000 0.858 474 Q CB -0.278 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 0.726 121.243 120.500 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 1.133 57.200 56.100 -0.054 0.000 0.945 475 R CB -0.213 30.160 30.300 0.122 0.000 0.845 475 R HN 0.201 nan 8.270 nan 0.000 0.430 476 L N 0.340 121.680 121.223 0.195 0.000 2.012 476 L HA -0.251 4.089 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 1.707 56.776 54.840 0.383 0.000 0.748 476 L CB -0.348 41.744 42.059 0.054 0.000 0.891 476 L HN 0.301 nan 8.230 nan 0.000 0.431 477 M N -1.241 118.393 119.600 0.056 0.000 2.149 477 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 477 M C 2.223 178.572 176.300 0.081 0.000 1.064 477 M CA 1.438 56.748 55.300 0.018 0.000 1.102 477 M CB -0.583 31.989 32.600 -0.047 0.000 1.369 477 M HN 0.060 nan 8.290 nan 0.000 0.408 478 K N 0.404 120.813 120.400 0.016 0.000 2.057 478 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 478 K C 1.822 178.430 176.600 0.014 0.000 1.049 478 K CA 1.753 58.012 56.287 -0.047 0.000 0.931 478 K CB -0.541 31.851 32.500 -0.181 0.000 0.714 478 K HN 0.393 nan 8.250 nan 0.000 0.440 479 Y N -0.649 119.753 120.300 0.170 0.000 2.145 479 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 479 Y C 2.516 178.404 175.900 -0.020 0.000 1.145 479 Y CA 0.982 59.127 58.100 0.075 0.000 1.148 479 Y CB -0.614 37.940 38.460 0.157 0.000 0.981 479 Y HN 0.180 nan 8.280 nan 0.000 0.507 480 W N 0.935 122.276 121.300 0.069 0.000 2.329 480 W HA -0.255 4.405 4.660 -0.000 0.000 0.324 480 W C 2.626 179.110 176.519 -0.059 0.000 1.222 480 W CA 2.751 60.075 57.345 -0.034 0.000 1.270 480 W CB -1.029 28.344 29.460 -0.145 0.000 1.167 480 W HN 0.217 nan 8.180 nan 0.000 0.467 481 T N -0.995 113.630 114.554 0.118 0.000 2.737 481 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 481 T C 1.501 176.190 174.700 -0.019 0.000 1.040 481 T CA 1.568 63.674 62.100 0.010 0.000 1.142 481 T CB -0.763 68.106 68.868 0.001 0.000 0.861 481 T HN -0.011 nan 8.240 nan 0.000 0.456 482 N N 0.751 119.447 118.700 -0.007 0.000 2.142 482 N HA 0.000 4.740 4.740 -0.000 0.000 0.186 482 N C 1.466 176.919 175.510 -0.096 0.000 1.023 482 N CA 1.046 54.069 53.050 -0.045 0.000 0.852 482 N CB -0.551 37.921 38.487 -0.025 0.000 0.998 482 N HN 0.510 nan 8.380 nan 0.000 0.424 483 F N 1.683 121.481 119.950 -0.253 0.000 2.171 483 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 483 F C 2.110 177.783 175.800 -0.211 0.000 1.090 483 F CA 1.183 58.974 58.000 -0.349 0.000 1.293 483 F CB -0.389 38.283 39.000 -0.546 0.000 1.013 483 F HN 0.015 nan 8.300 nan 0.000 0.486 484 A N 2.120 124.818 122.820 -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 2.219 54.130 52.037 -0.210 0.000 0.623 484 A CB -0.814 18.136 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 -0.073 4.267 4.340 -0.000 0.000 0.226 485 R C 2.267 178.463 176.300 -0.173 0.000 1.125 485 R CA 2.055 58.072 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 -2.488 111.953 114.554 -0.188 0.000 2.866 486 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 486 T C 1.423 175.977 174.700 -0.242 0.000 1.033 486 T CA 1.023 63.020 62.100 -0.172 0.000 1.145 486 T CB -0.089 68.706 68.868 -0.122 0.000 0.866 486 T HN 0.563 nan 8.240 nan 0.000 0.434 487 G N 1.098 109.655 108.800 -0.404 0.000 2.237 487 G HA2 0.026 3.986 3.960 -0.000 0.000 0.153 487 G HA3 0.026 3.986 3.960 -0.000 0.000 0.153 487 G C -0.521 174.266 174.900 -0.188 0.000 1.039 487 G CA 0.035 44.807 45.100 -0.546 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 0.323 4.963 4.640 -0.000 0.000 0.210 488 D C -1.989 174.123 176.300 -0.314 0.000 1.333 488 D CA -1.039 52.768 54.000 -0.321 0.000 0.920 488 D CB 2.022 42.774 40.800 -0.080 0.000 1.554 488 D HN -0.050 nan 8.370 nan 0.000 0.579 489 P HA -0.039 nan 4.420 nan 0.000 0.239 489 P C 0.079 177.378 177.300 -0.001 0.000 1.184 489 P CA 0.091 62.990 63.100 -0.335 0.000 0.760 489 P CB 0.291 31.484 31.700 -0.845 0.000 0.884 490 N N 1.064 119.761 118.700 -0.006 0.000 2.530 490 N HA 0.085 4.825 4.740 -0.000 0.000 0.273 490 N C 0.250 175.805 175.510 0.075 0.000 1.173 490 N CA 0.257 53.377 53.050 0.117 0.000 0.967 490 N CB 0.126 38.693 38.487 0.134 0.000 1.109 490 N HN 0.100 nan 8.380 nan 0.000 0.453 491 D N 2.946 123.403 120.400 0.094 0.000 2.662 491 D HA -0.026 4.614 4.640 -0.000 0.000 0.233 491 D C -1.288 175.034 176.300 0.036 0.000 1.129 491 D CA -0.787 53.240 54.000 0.046 0.000 0.851 491 D CB -0.427 40.404 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 3.044 66.149 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 -1.018 119.491 120.500 0.015 0.000 2.146 493 R HA 0.162 4.502 4.340 -0.000 0.000 0.206 493 R C 1.693 178.008 176.300 0.025 0.000 1.049 493 R CA 1.725 57.836 56.100 0.019 0.000 1.029 493 R CB -1.827 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 1.159 121.572 120.400 0.022 0.000 2.501 494 D HA 0.404 5.044 4.640 -0.000 0.000 0.268 494 D C 0.669 176.991 176.300 0.036 0.000 1.361 494 D CA 0.328 54.343 54.000 0.024 0.000 1.258 494 D CB -1.061 39.750 40.800 0.018 0.000 1.136 494 D HN 0.908 nan 8.370 nan 0.000 0.528 495 S N 0.855 116.580 115.700 0.040 0.000 3.988 495 S HA 0.478 4.948 4.470 -0.000 0.000 0.180 495 S C 1.296 175.927 174.600 0.053 0.000 1.242 495 S CA 0.382 58.613 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 1.220 121.652 120.400 0.054 0.000 2.021 496 K HA 0.633 4.953 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 0.805 57.123 56.287 0.051 0.000 1.105 496 K CB -2.055 30.471 32.500 0.042 0.000 1.246 496 K HN 2.098 nan 8.250 nan 0.000 0.307 497 S N 1.288 117.023 115.700 0.057 0.000 4.116 497 S HA -0.157 4.313 4.470 -0.000 0.000 0.623 497 S C -1.250 173.397 174.600 0.079 0.000 1.933 497 S CA 0.919 59.154 58.200 0.059 0.000 4.224 497 S CB -2.543 60.686 63.200 0.049 0.000 0.208 497 S HN 0.766 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 0.845 32.601 31.700 0.094 0.000 0.810 499 Q N 1.427 121.318 119.800 0.151 0.000 2.257 499 Q HA 0.521 4.861 4.340 -0.000 0.000 0.262 499 Q C -1.636 174.533 176.000 0.281 0.000 0.997 499 Q CA -0.451 55.479 55.803 0.212 0.000 0.873 499 Q CB 1.012 29.850 28.738 0.167 0.000 1.312 499 Q HN 0.465 nan 8.270 nan 0.000 0.450 500 W N 6.550 127.936 121.300 0.143 0.000 2.278 500 W HA 0.493 5.153 4.660 -0.000 0.000 0.317 500 W C -2.738 173.903 176.519 0.203 0.000 1.030 500 W CA -2.698 54.743 57.345 0.159 0.000 1.334 500 W CB 0.877 30.432 29.460 0.159 0.000 1.215 500 W HN 0.477 nan 8.180 nan 0.000 0.405 501 P HA 0.298 nan 4.420 nan 0.000 0.282 501 P C -2.628 174.758 177.300 0.144 0.000 1.249 501 P CA -1.844 61.404 63.100 0.246 0.000 0.806 501 P CB 0.971 32.736 31.700 0.108 0.000 0.984 502 P HA 0.002 nan 4.420 nan 0.000 0.265 502 P C -0.435 176.818 177.300 -0.078 0.000 1.193 502 P CA 0.202 63.043 63.100 -0.431 0.000 0.765 502 P CB -0.059 31.420 31.700 -0.368 0.000 0.823 503 Y N 3.740 123.988 120.300 -0.088 0.000 2.526 503 Y HA 0.266 4.816 4.550 -0.000 0.000 0.330 503 Y C 0.153 176.048 175.900 -0.008 0.000 1.156 503 Y CA 0.717 58.828 58.100 0.019 0.000 1.419 503 Y CB 0.209 38.714 38.460 0.075 0.000 1.250 503 Y HN 0.379 nan 8.280 nan 0.000 0.540 504 T N 1.626 115.923 114.554 -0.428 0.000 2.900 504 T HA 0.258 4.608 4.350 -0.000 0.000 0.295 504 T C 0.883 175.366 174.700 -0.361 0.000 1.044 504 T CA -0.311 61.639 62.100 -0.249 0.000 0.995 504 T CB 1.389 70.155 68.868 -0.171 0.000 1.072 504 T HN 0.658 nan 8.240 nan 0.000 0.473 505 T N 1.428 115.924 114.554 -0.097 0.000 2.607 505 T HA -0.184 4.165 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 1.419 63.496 62.100 -0.039 0.000 1.162 505 T CB -0.953 67.934 68.868 0.032 0.000 0.863 505 T HN 0.836 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 0.226 4.546 4.320 -0.000 0.000 0.215 506 A C 2.729 180.256 177.584 -0.095 0.000 1.195 506 A CA 2.187 54.186 52.037 -0.063 0.000 0.616 506 A CB -1.332 17.643 19.000 -0.042 0.000 0.832 506 A HN 0.659 nan 8.150 nan 0.000 0.443 507 A N -2.408 120.332 122.820 -0.133 0.000 2.021 507 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 507 A C 1.000 178.468 177.584 -0.193 0.000 1.163 507 A CA 0.985 52.944 52.037 -0.131 0.000 0.676 507 A CB -0.318 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 -0.218 119.344 119.800 -0.397 0.000 2.460 508 Q HA -0.179 4.161 4.340 -0.000 0.000 0.311 508 Q C -0.984 174.859 176.000 -0.263 0.000 1.396 508 Q CA 0.590 56.029 55.803 -0.608 0.000 0.838 508 Q CB -1.638 26.985 28.738 -0.192 0.000 1.140 508 Q HN 0.854 nan 8.270 nan 0.000 0.415 509 Q N 0.619 120.274 119.800 -0.241 0.000 2.243 509 Q HA 0.567 4.907 4.340 -0.000 0.000 0.252 509 Q C -0.338 175.788 176.000 0.210 0.000 0.909 509 Q CA -0.175 55.608 55.803 -0.035 0.000 0.922 509 Q CB 0.912 29.613 28.738 -0.062 0.000 1.215 509 Q HN 0.373 nan 8.270 nan 0.000 0.427 510 Y N -1.619 118.712 120.300 0.052 0.000 2.625 510 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 510 Y C -1.223 174.573 175.900 -0.173 0.000 1.123 510 Y CA -1.422 56.681 58.100 0.004 0.000 1.046 510 Y CB 0.741 39.258 38.460 0.094 0.000 1.299 510 Y HN 0.370 nan 8.280 nan 0.000 0.464 511 V N -0.616 119.175 119.914 -0.206 0.000 2.864 511 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 511 V C -0.209 175.805 176.094 -0.134 0.000 1.073 511 V CA -0.542 61.534 62.300 -0.373 0.000 0.956 511 V CB 1.340 32.657 31.823 -0.843 0.000 1.023 511 V HN 1.111 nan 8.190 nan 0.000 0.435 512 S N 4.334 119.964 115.700 -0.117 0.000 2.400 512 S HA 0.398 4.868 4.470 -0.000 0.000 0.295 512 S C -0.238 174.330 174.600 -0.054 0.000 1.113 512 S CA -0.573 57.620 58.200 -0.012 0.000 1.064 512 S CB -0.137 63.053 63.200 -0.016 0.000 0.990 512 S HN 0.689 nan 8.310 nan 0.000 0.502 513 L N 5.783 127.017 121.223 0.018 0.000 2.363 513 L HA 0.417 4.757 4.340 -0.000 0.000 0.286 513 L C 0.296 177.136 176.870 -0.050 0.000 1.106 513 L CA 0.370 55.239 54.840 0.048 0.000 0.859 513 L CB -0.854 41.303 42.059 0.163 0.000 1.223 513 L HN 0.995 nan 8.230 nan 0.000 0.446 514 N N 1.848 120.427 118.700 -0.201 0.000 3.179 514 N HA 0.240 4.980 4.740 -0.000 0.000 0.250 514 N C 0.671 175.615 175.510 -0.943 0.000 1.507 514 N CA -0.830 51.862 53.050 -0.596 0.000 0.883 514 N CB 0.535 38.830 38.487 -0.320 0.000 1.435 514 N HN 0.184 nan 8.380 nan 0.000 0.532 515 L N -1.059 119.498 121.223 -1.111 0.000 2.034 515 L HA -0.168 4.172 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 1.575 55.908 54.840 -0.845 0.000 0.769 515 L CB -0.726 40.953 42.059 -0.635 0.000 0.890 515 L HN 0.564 nan 8.230 nan 0.000 0.435 516 K N -0.169 120.050 120.400 -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 -1.971 54.215 56.287 -0.169 0.000 0.949 516 K CB -0.104 32.324 32.500 -0.121 0.000 0.976 516 K HN -0.158 nan 8.250 nan 0.000 0.472 517 P HA -0.080 nan 4.420 nan 0.000 0.270 517 P C -0.007 177.289 177.300 -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 1.309 122.560 121.223 0.047 0.000 2.605 518 L HA -0.133 4.207 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 1.253 56.091 54.840 -0.003 0.000 0.879 518 L CB -0.112 41.973 42.059 0.044 0.000 1.124 518 L HN 0.552 nan 8.230 nan 0.000 0.507 519 E N 3.279 123.423 120.200 -0.094 0.000 3.117 519 E HA 0.193 4.543 4.350 -0.000 0.000 0.262 519 E C -0.959 175.548 176.600 -0.156 0.000 1.202 519 E CA -0.516 55.826 56.400 -0.097 0.000 0.853 519 E CB 1.047 30.699 29.700 -0.080 0.000 1.426 519 E HN 0.356 nan 8.360 nan 0.000 0.387 520 V N 3.083 122.898 119.914 -0.164 0.000 2.752 520 V HA -0.058 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 0.936 63.097 62.300 -0.231 0.000 1.240 520 V CB 0.063 31.793 31.823 -0.154 0.000 0.887 520 V HN 0.561 nan 8.190 nan 0.000 0.499 521 R N 3.764 123.950 120.500 -0.523 0.000 2.867 521 R HA 0.752 5.091 4.340 -0.000 0.000 0.268 521 R C -0.926 175.037 176.300 -0.562 0.000 1.014 521 R CA -1.082 54.655 56.100 -0.604 0.000 0.946 521 R CB 2.290 32.084 30.300 -0.844 0.000 1.208 521 R HN 0.657 nan 8.270 nan 0.000 0.477 522 R N 0.083 120.429 120.500 -0.256 0.000 2.599 522 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 522 R C -0.668 175.729 176.300 0.161 0.000 0.963 522 R CA -0.774 55.297 56.100 -0.048 0.000 0.883 522 R CB 2.097 32.371 30.300 -0.044 0.000 1.171 522 R HN 0.851 nan 8.270 nan 0.000 0.450 523 G N 2.484 111.446 108.800 0.270 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 -0.646 174.488 174.900 0.390 0.000 0.909 523 G CA -0.833 44.443 45.100 0.295 0.000 0.740 523 G HN 0.517 nan 8.290 nan 0.000 0.441 524 L N 4.328 125.704 121.223 0.255 0.000 2.295 524 L HA 0.351 4.691 4.340 -0.000 0.000 0.288 524 L C 1.596 178.505 176.870 0.064 0.000 1.079 524 L CA -0.855 53.970 54.840 -0.026 0.000 0.830 524 L CB 0.301 42.269 42.059 -0.153 0.000 1.200 524 L HN 0.792 nan 8.230 nan 0.000 0.438 525 R N 2.636 123.191 120.500 0.092 0.000 3.358 525 R HA -0.300 4.040 4.340 -0.000 0.000 0.248 525 R C 1.339 177.737 176.300 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 2.156 54.284 52.037 0.152 0.000 0.658 526 A CB -0.240 18.843 19.000 0.137 0.000 0.831 526 A HN 0.493 nan 8.150 nan 0.000 0.462 527 Q N -1.198 118.694 119.800 0.154 0.000 1.965 527 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 527 Q C 2.366 178.490 176.000 0.208 0.000 0.981 527 Q CA 2.274 58.174 55.803 0.162 0.000 0.834 527 Q CB -0.895 27.936 28.738 0.155 0.000 0.900 527 Q HN 0.673 nan 8.270 nan 0.000 0.426 528 T N -0.220 114.481 114.554 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 1.563 63.813 62.100 0.251 0.000 1.154 528 T CB -0.640 68.437 68.868 0.349 0.000 0.862 528 T HN 0.380 nan 8.240 nan 0.000 0.441 529 c N 1.304 120.097 118.600 0.321 0.000 2.456 529 c HA 0.337 4.907 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 0.311 0.000 1.778 529 c CB -1.550 41.078 42.510 0.196 0.000 1.842 529 c HN 0.653 nan 8.230 nan 0.000 0.531 530 A N 0.289 123.237 122.820 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 0.205 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 -0.272 119.686 119.950 0.014 0.000 2.043 531 F HA -0.220 4.306 4.527 -0.000 0.000 0.297 531 F C 1.933 177.702 175.800 -0.051 0.000 1.121 531 F CA 1.630 59.573 58.000 -0.096 0.000 1.199 531 F CB -0.959 37.733 39.000 -0.513 0.000 0.968 531 F HN 0.402 nan 8.300 nan 0.000 0.478 532 W N 0.739 121.878 121.300 -0.269 0.000 2.378 532 W HA -0.165 4.495 4.660 -0.000 0.000 0.313 532 W C 2.378 178.792 176.519 -0.175 0.000 1.197 532 W CA 1.170 58.309 57.345 -0.344 0.000 1.304 532 W CB -0.794 28.596 29.460 -0.118 0.000 1.148 532 W HN -0.013 nan 8.180 nan 0.000 0.494 533 N N -0.073 118.738 118.700 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 1.083 54.194 53.050 0.101 0.000 0.887 533 N CB -0.412 38.129 38.487 0.089 0.000 0.974 533 N HN 0.293 nan 8.380 nan 0.000 0.437 534 R N -0.906 119.648 120.500 0.090 0.000 2.102 534 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 534 R C 1.638 178.015 176.300 0.128 0.000 1.131 534 R CA 0.160 56.321 56.100 0.103 0.000 1.054 534 R CB -0.449 29.928 30.300 0.128 0.000 0.954 534 R HN 0.117 nan 8.270 nan 0.000 0.465 535 F N 2.075 122.006 119.950 -0.031 0.000 2.147 535 F HA 0.060 4.587 4.527 -0.000 0.000 0.291 535 F C 2.095 177.834 175.800 -0.103 0.000 1.093 535 F CA 0.720 58.700 58.000 -0.033 0.000 1.263 535 F CB -0.604 38.423 39.000 0.045 0.000 1.036 535 F HN -0.142 nan 8.300 nan 0.000 0.481 536 L N 0.823 121.717 121.223 -0.549 0.000 2.010 536 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 536 L C -0.440 176.161 176.870 -0.448 0.000 1.077 536 L CA 2.554 56.968 54.840 -0.711 0.000 0.773 536 L CB -1.925 39.642 42.059 -0.820 0.000 0.892 536 L HN 0.132 nan 8.230 nan 0.000 0.436 537 P HA -0.213 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 1.662 64.670 63.100 -0.154 0.000 0.889 537 P CB -0.203 31.450 31.700 -0.079 0.000 0.790 538 K N -0.359 119.936 120.400 -0.175 0.000 2.211 538 K HA -0.111 4.209 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 1.173 57.380 56.287 -0.133 0.000 0.935 538 K CB -1.400 31.073 32.500 -0.045 0.000 0.728 538 K HN 0.250 nan 8.250 nan 0.000 0.452 539 L N 1.053 122.033 121.223 -0.406 0.000 2.027 539 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 539 L C 2.545 179.293 176.870 -0.203 0.000 1.074 539 L CA 1.019 55.638 54.840 -0.369 0.000 0.745 539 L CB -0.245 41.495 42.059 -0.531 0.000 0.898 539 L HN 0.132 nan 8.230 nan 0.000 0.433 540 L N -0.652 120.450 121.223 -0.202 0.000 2.046 540 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 540 L C 2.555 179.374 176.870 -0.085 0.000 1.077 540 L CA 1.538 56.304 54.840 -0.123 0.000 0.747 540 L CB -0.485 41.508 42.059 -0.110 0.000 0.896 540 L HN 0.367 nan 8.230 nan 0.000 0.432 541 S N -0.769 114.882 115.700 -0.083 0.000 2.607 541 S HA 0.092 4.562 4.470 -0.000 0.000 0.224 541 S C 1.661 176.235 174.600 -0.044 0.000 0.969 541 S CA 0.485 58.653 58.200 -0.054 0.000 0.927 541 S CB 0.085 63.258 63.200 -0.045 0.000 0.772 541 S HN 0.360 nan 8.310 nan 0.000 0.533 542 A N 1.942 124.731 122.820 -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 0.798 52.815 52.037 -0.033 0.000 0.707 542 A CB -0.789 18.192 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 -0.039 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