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_C 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 -0.090 nan 4.420 nan 0.000 0.226 6 P C 1.115 178.482 177.300 0.111 0.000 1.153 6 P CA 0.612 63.755 63.100 0.071 0.000 0.777 6 P CB 0.618 32.341 31.700 0.039 0.000 0.794 7 Q N 0.236 120.133 119.800 0.161 0.000 2.050 7 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 7 Q C 2.138 178.329 176.000 0.318 0.000 0.980 7 Q CA 1.162 57.118 55.803 0.254 0.000 0.840 7 Q CB -0.687 28.313 28.738 0.437 0.000 0.898 7 Q HN 0.398 nan 8.270 nan 0.000 0.424 8 L N 0.298 121.646 121.223 0.209 0.000 2.612 8 L HA 0.123 4.463 4.340 -0.000 0.000 0.230 8 L C 0.395 177.374 176.870 0.181 0.000 1.140 8 L CA -0.105 54.791 54.840 0.094 0.000 0.896 8 L CB 0.063 42.073 42.059 -0.081 0.000 1.065 8 L HN 0.058 nan 8.230 nan 0.000 0.447 9 L N 1.581 122.932 121.223 0.214 0.000 2.316 9 L HA 0.528 4.868 4.340 -0.000 0.000 0.280 9 L C -0.633 176.328 176.870 0.152 0.000 1.006 9 L CA -0.173 54.774 54.840 0.179 0.000 0.836 9 L CB 1.811 43.927 42.059 0.096 0.000 1.221 9 L HN -0.246 nan 8.230 nan 0.000 0.418 10 V N 4.454 124.469 119.914 0.168 0.000 2.735 10 V HA 0.534 4.654 4.120 -0.000 0.000 0.310 10 V C -0.174 175.902 176.094 -0.030 0.000 1.061 10 V CA -1.033 61.226 62.300 -0.069 0.000 0.913 10 V CB 2.494 34.022 31.823 -0.493 0.000 1.005 10 V HN 0.745 nan 8.190 nan 0.000 0.428 11 R N 3.194 123.639 120.500 -0.090 0.000 2.265 11 R HA 0.710 5.050 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 -0.049 56.016 56.100 -0.058 0.000 0.880 11 R CB 1.347 31.603 30.300 -0.073 0.000 1.077 11 R HN 0.494 nan 8.270 nan 0.000 0.454 12 V N 5.154 125.060 119.914 -0.014 0.000 3.093 12 V HA 0.347 4.467 4.120 -0.000 0.000 0.320 12 V C 1.490 177.530 176.094 -0.090 0.000 1.093 12 V CA -0.870 61.436 62.300 0.010 0.000 1.016 12 V CB 1.704 33.709 31.823 0.304 0.000 1.096 12 V HN 0.927 nan 8.190 nan 0.000 0.452 13 R N 1.137 121.575 120.500 -0.103 0.000 2.261 13 R HA -0.119 4.221 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 1.647 57.680 56.100 -0.110 0.000 1.001 13 R CB -0.214 30.025 30.300 -0.101 0.000 0.866 13 R HN 0.898 nan 8.270 nan 0.000 0.468 14 G N -1.697 106.973 108.800 -0.217 0.000 3.596 14 G HA2 0.455 4.415 3.960 -0.000 0.000 0.274 14 G HA3 0.455 4.415 3.960 -0.000 0.000 0.274 14 G C -0.155 174.001 174.900 -1.240 0.000 1.007 14 G CA 0.218 45.044 45.100 -0.458 0.000 0.825 14 G HN 0.533 nan 8.290 nan 0.000 0.508 15 G N -0.700 107.495 108.800 -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 -1.369 173.317 174.900 -0.356 0.000 1.329 15 G CA -0.949 43.438 45.100 -1.187 0.000 0.935 15 G HN 0.198 nan 8.290 nan 0.000 0.590 16 Q N -0.719 119.068 119.800 -0.021 0.000 2.227 16 Q HA 0.739 5.079 4.340 -0.000 0.000 0.245 16 Q C -0.540 175.757 176.000 0.495 0.000 0.926 16 Q CA -0.364 55.574 55.803 0.226 0.000 0.895 16 Q CB 1.953 30.774 28.738 0.138 0.000 1.230 16 Q HN 0.461 nan 8.270 nan 0.000 0.450 17 L N 1.196 122.646 121.223 0.379 0.000 2.393 17 L HA 0.601 4.940 4.340 -0.000 0.000 0.260 17 L C -0.640 176.418 176.870 0.314 0.000 1.002 17 L CA -0.884 54.195 54.840 0.399 0.000 0.818 17 L CB 2.398 44.782 42.059 0.541 0.000 1.369 17 L HN 0.518 nan 8.230 nan 0.000 0.412 18 R N 0.900 121.514 120.500 0.191 0.000 2.409 18 R HA 0.681 5.021 4.340 -0.000 0.000 0.313 18 R C -0.174 176.039 176.300 -0.145 0.000 0.953 18 R CA -0.363 55.773 56.100 0.061 0.000 0.849 18 R CB 1.543 31.849 30.300 0.009 0.000 1.171 18 R HN 0.727 nan 8.270 nan 0.000 0.458 19 G N 3.332 111.831 108.800 -0.503 0.000 2.508 19 G HA2 0.376 4.336 3.960 -0.000 0.000 0.278 19 G HA3 0.376 4.336 3.960 -0.000 0.000 0.278 19 G C -0.677 173.876 174.900 -0.579 0.000 1.389 19 G CA -0.631 43.814 45.100 -1.092 0.000 1.050 19 G HN 0.706 nan 8.290 nan 0.000 0.522 20 I N -1.898 118.337 120.570 -0.559 0.000 2.802 20 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 20 I C -0.560 175.345 176.117 -0.354 0.000 1.176 20 I CA -1.169 59.909 61.300 -0.370 0.000 1.025 20 I CB 2.344 40.158 38.000 -0.310 0.000 1.243 20 I HN 0.413 nan 8.210 nan 0.000 0.424 21 R N 6.006 126.318 120.500 -0.314 0.000 2.204 21 R HA 0.485 4.825 4.340 -0.000 0.000 0.341 21 R C -1.584 174.566 176.300 -0.249 0.000 1.035 21 R CA -0.664 55.228 56.100 -0.346 0.000 0.887 21 R CB 0.678 30.676 30.300 -0.504 0.000 1.114 21 R HN 0.541 nan 8.270 nan 0.000 0.473 22 L N 3.586 124.694 121.223 -0.192 0.000 2.379 22 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 22 L C 0.093 176.906 176.870 -0.095 0.000 1.084 22 L CA 0.096 54.859 54.840 -0.129 0.000 0.802 22 L CB 1.257 43.264 42.059 -0.087 0.000 1.175 22 L HN 0.401 nan 8.230 nan 0.000 0.448 23 K N 1.977 122.331 120.400 -0.077 0.000 2.389 23 K HA 0.662 4.982 4.320 -0.000 0.000 0.261 23 K C -0.678 175.897 176.600 -0.041 0.000 1.014 23 K CA -0.390 55.869 56.287 -0.047 0.000 0.920 23 K CB 1.310 33.789 32.500 -0.035 0.000 1.149 23 K HN 0.723 nan 8.250 nan 0.000 0.444 24 A N 4.039 126.835 122.820 -0.042 0.000 2.286 24 A HA 0.375 4.695 4.320 -0.000 0.000 0.286 24 A C -1.724 175.893 177.584 0.056 0.000 1.097 24 A CA -1.453 50.556 52.037 -0.047 0.000 0.821 24 A CB 0.204 19.150 19.000 -0.089 0.000 1.076 24 A HN 0.464 nan 8.150 nan 0.000 0.490 25 P HA -0.166 nan 4.420 nan 0.000 0.216 25 P C 1.302 178.659 177.300 0.095 0.000 1.154 25 P CA 2.160 65.335 63.100 0.124 0.000 0.865 25 P CB 0.128 31.930 31.700 0.169 0.000 0.789 26 G N -2.244 106.618 108.800 0.103 0.000 3.088 26 G HA2 0.431 4.391 3.960 -0.000 0.000 0.212 26 G HA3 0.431 4.391 3.960 -0.000 0.000 0.212 26 G C 0.558 175.501 174.900 0.072 0.000 1.173 26 G CA 0.456 45.605 45.100 0.081 0.000 0.779 26 G HN 0.632 nan 8.290 nan 0.000 0.540 27 G N -0.393 108.448 108.800 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 -3.378 171.565 174.900 0.072 0.000 1.302 27 G CA -0.589 44.556 45.100 0.074 0.000 0.936 27 G HN 0.090 nan 8.290 nan 0.000 0.513 28 P HA 0.607 nan 4.420 nan 0.000 0.281 28 P C -0.592 176.801 177.300 0.155 0.000 1.249 28 P CA -0.404 62.760 63.100 0.107 0.000 0.810 28 P CB 1.847 33.671 31.700 0.207 0.000 1.008 29 V N 0.330 120.292 119.914 0.080 0.000 2.760 29 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 29 V C 0.251 176.396 176.094 0.085 0.000 1.077 29 V CA -0.725 61.659 62.300 0.141 0.000 0.910 29 V CB 1.778 33.688 31.823 0.144 0.000 1.008 29 V HN 0.465 nan 8.190 nan 0.000 0.424 30 S N 2.193 118.022 115.700 0.215 0.000 2.562 30 S HA 0.788 5.258 4.470 -0.000 0.000 0.275 30 S C 0.099 174.789 174.600 0.149 0.000 1.281 30 S CA -0.052 58.257 58.200 0.182 0.000 1.045 30 S CB 1.274 64.751 63.200 0.462 0.000 0.962 30 S HN 1.297 nan 8.310 nan 0.000 0.503 31 A N 2.873 125.611 122.820 -0.137 0.000 2.414 31 A HA 0.696 5.016 4.320 -0.000 0.000 0.286 31 A C -1.306 176.021 177.584 -0.429 0.000 1.073 31 A CA -0.567 51.298 52.037 -0.287 0.000 0.727 31 A CB 0.438 19.146 19.000 -0.487 0.000 1.215 31 A HN 0.658 nan 8.150 nan 0.000 0.430 32 F N 3.191 123.004 119.950 -0.229 0.000 2.334 32 F HA 0.392 4.919 4.527 -0.000 0.000 0.343 32 F C -0.292 175.374 175.800 -0.224 0.000 1.136 32 F CA -0.771 57.167 58.000 -0.104 0.000 1.237 32 F CB 0.968 40.078 39.000 0.183 0.000 1.525 32 F HN 0.310 nan 8.300 nan 0.000 0.528 33 L N 1.789 122.864 121.223 -0.247 0.000 2.319 33 L HA 0.541 4.881 4.340 -0.000 0.000 0.280 33 L C 1.086 177.878 176.870 -0.130 0.000 1.099 33 L CA -0.167 54.511 54.840 -0.270 0.000 0.828 33 L CB 0.546 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 3.471 112.250 108.800 -0.036 0.000 2.134 34 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.209 34 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.209 34 G C 0.142 174.896 174.900 -0.243 0.000 0.993 34 G CA -0.375 44.636 45.100 -0.149 0.000 0.669 34 G HN 0.483 nan 8.290 nan 0.000 0.519 35 I N 2.680 123.199 120.570 -0.085 0.000 2.494 35 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 35 I C -1.506 174.593 176.117 -0.029 0.000 1.106 35 I CA -1.898 59.343 61.300 -0.097 0.000 1.369 35 I CB 0.543 38.517 38.000 -0.043 0.000 1.410 35 I HN -0.088 nan 8.210 nan 0.000 0.523 36 P HA -0.099 nan 4.420 nan 0.000 0.262 36 P C -0.007 177.367 177.300 0.124 0.000 1.182 36 P CA 0.394 63.592 63.100 0.164 0.000 0.761 36 P CB 0.193 31.868 31.700 -0.043 0.000 0.795 37 F N 1.481 121.429 119.950 -0.004 0.000 2.746 37 F HA 0.692 5.219 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 -0.497 57.435 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 0.337 nan 8.300 nan 0.000 0.584 38 A N 0.114 122.768 122.820 -0.276 0.000 2.609 38 A HA 0.560 4.879 4.320 -0.000 0.000 0.291 38 A C -1.038 176.458 177.584 -0.147 0.000 1.096 38 A CA -0.797 51.132 52.037 -0.179 0.000 0.684 38 A CB 0.893 19.677 19.000 -0.359 0.000 1.282 38 A HN 0.045 nan 8.150 nan 0.000 0.412 39 E N 1.512 121.675 120.200 -0.062 0.000 2.366 39 E HA 0.247 4.597 4.350 -0.000 0.000 0.266 39 E C -2.297 174.231 176.600 -0.120 0.000 1.015 39 E CA -1.317 55.054 56.400 -0.049 0.000 0.906 39 E CB 0.076 29.770 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 -2.143 175.069 177.300 -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 0.228 41 P C -0.120 177.083 177.300 -0.162 0.000 1.764 41 P CA -0.031 62.980 63.100 -0.148 0.000 0.929 41 P CB -0.051 31.558 31.700 -0.153 0.000 1.675 42 V N -3.510 116.315 119.914 -0.148 0.000 3.234 42 V HA 0.840 4.959 4.120 -0.000 0.000 0.317 42 V C 1.225 177.242 176.094 -0.129 0.000 1.081 42 V CA 0.315 62.523 62.300 -0.153 0.000 1.037 42 V CB 0.334 32.075 31.823 -0.138 0.000 1.148 42 V HN 0.471 nan 8.190 nan 0.000 0.453 43 G N 1.985 110.707 108.800 -0.130 0.000 2.634 43 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.318 43 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.318 43 G C 1.129 175.968 174.900 -0.101 0.000 1.207 43 G CA 1.765 46.804 45.100 -0.102 0.000 0.987 43 G HN 2.338 nan 8.290 nan 0.000 0.547 44 S N 0.300 115.958 115.700 -0.070 0.000 2.650 44 S HA 0.294 4.764 4.470 -0.000 0.000 0.219 44 S C 1.860 176.426 174.600 -0.056 0.000 0.960 44 S CA 1.239 59.408 58.200 -0.051 0.000 0.925 44 S CB 0.448 63.633 63.200 -0.026 0.000 0.775 44 S HN 0.497 nan 8.310 nan 0.000 0.525 45 R N 1.589 122.037 120.500 -0.086 0.000 2.265 45 R HA 0.338 4.678 4.340 -0.000 0.000 0.194 45 R C 0.789 177.007 176.300 -0.138 0.000 0.931 45 R CA -0.243 55.806 56.100 -0.084 0.000 1.032 45 R CB -0.627 29.624 30.300 -0.081 0.000 0.980 45 R HN 0.482 nan 8.270 nan 0.000 0.497 46 R N 0.629 120.984 120.500 -0.241 0.000 2.583 46 R HA -0.128 4.212 4.340 -0.000 0.000 0.274 46 R C -0.323 175.675 176.300 -0.503 0.000 0.998 46 R CA 0.651 56.462 56.100 -0.481 0.000 1.081 46 R CB 0.038 29.887 30.300 -0.751 0.000 0.940 46 R HN 0.158 nan 8.270 nan 0.000 0.413 47 F N -0.837 119.109 119.950 -0.007 0.000 2.656 47 F HA -0.259 4.267 4.527 -0.000 0.000 0.381 47 F C -0.184 175.594 175.800 -0.036 0.000 0.603 47 F CA 0.295 58.272 58.000 -0.037 0.000 1.335 47 F CB -1.524 37.447 39.000 -0.048 0.000 1.836 47 F HN 0.425 nan 8.300 nan 0.000 0.290 48 M N 1.734 121.374 119.600 0.066 0.000 2.409 48 M HA 0.442 4.922 4.480 -0.000 0.000 0.329 48 M C -1.934 174.379 176.300 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 33.132 32.600 0.016 0.000 1.586 48 M HN -0.315 nan 8.290 nan 0.000 0.461 49 P HA 0.132 nan 4.420 nan 0.000 0.267 49 P C -2.565 174.754 177.300 0.031 0.000 1.200 49 P CA -0.651 62.472 63.100 0.039 0.000 0.772 49 P CB -0.822 30.913 31.700 0.059 0.000 0.855 50 P HA 0.244 nan 4.420 nan 0.000 0.274 50 P C -0.497 176.831 177.300 0.047 0.000 1.237 50 P CA 0.074 63.188 63.100 0.024 0.000 0.793 50 P CB 1.000 32.729 31.700 0.047 0.000 0.977 51 E N 1.155 121.371 120.200 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 -2.668 53.764 56.400 0.053 0.000 0.769 51 E CB 1.504 31.227 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 -0.618 176.777 177.300 0.159 0.000 1.209 52 P CA -0.248 62.953 63.100 0.169 0.000 0.763 52 P CB 0.339 32.145 31.700 0.178 0.000 0.816 53 K N 4.534 125.049 120.400 0.191 0.000 2.511 53 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 53 K C 0.261 177.013 176.600 0.254 0.000 1.008 53 K CA 0.513 56.922 56.287 0.204 0.000 1.050 53 K CB -0.048 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 4.076 124.706 120.500 0.216 0.000 2.679 54 R HA 0.189 4.529 4.340 -0.000 0.000 0.269 54 R C -1.883 174.602 176.300 0.309 0.000 1.076 54 R CA -1.387 54.836 56.100 0.205 0.000 1.160 54 R CB 0.129 30.517 30.300 0.147 0.000 1.054 54 R HN 0.502 nan 8.270 nan 0.000 0.507 55 P HA 0.044 nan 4.420 nan 0.000 0.275 55 P C -1.367 176.044 177.300 0.185 0.000 1.227 55 P CA -0.276 62.874 63.100 0.084 0.000 0.781 55 P CB 0.322 31.983 31.700 -0.065 0.000 0.906 56 W N 1.597 122.938 121.300 0.068 0.000 2.647 56 W HA 0.694 5.354 4.660 -0.000 0.000 0.353 56 W C -0.016 176.528 176.519 0.043 0.000 1.080 56 W CA -0.984 56.392 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 1.782 117.621 115.700 0.231 0.000 2.655 57 S HA 0.724 5.194 4.470 -0.000 0.000 0.265 57 S C 0.825 175.551 174.600 0.209 0.000 1.240 57 S CA 0.259 58.532 58.200 0.121 0.000 0.986 57 S CB 0.471 63.731 63.200 0.100 0.000 0.985 57 S HN 2.043 nan 8.310 nan 0.000 0.562 58 G N -0.102 108.772 108.800 0.123 0.000 2.591 58 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.278 58 G C -0.435 174.590 174.900 0.209 0.000 1.293 58 G CA -0.057 45.123 45.100 0.134 0.000 0.930 58 G HN 1.631 nan 8.290 nan 0.000 0.562 59 V N 1.182 121.206 119.914 0.184 0.000 2.311 59 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 59 V C 0.486 176.700 176.094 0.200 0.000 1.022 59 V CA -0.663 61.763 62.300 0.211 0.000 0.830 59 V CB 1.139 33.036 31.823 0.125 0.000 1.012 59 V HN 0.796 nan 8.190 nan 0.000 0.452 60 L N 5.836 127.246 121.223 0.312 0.000 2.513 60 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 60 L C 0.456 177.328 176.870 0.003 0.000 1.187 60 L CA 0.472 55.319 54.840 0.011 0.000 0.895 60 L CB 0.386 42.264 42.059 -0.301 0.000 1.147 60 L HN 0.688 nan 8.230 nan 0.000 0.483 61 D N 4.422 124.780 120.400 -0.070 0.000 2.389 61 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 61 D C -0.401 175.833 176.300 -0.109 0.000 1.128 61 D CA 0.327 54.283 54.000 -0.073 0.000 0.884 61 D CB 1.452 42.198 40.800 -0.090 0.000 1.194 61 D HN 0.702 nan 8.370 nan 0.000 0.441 62 A N 2.635 125.398 122.820 -0.095 0.000 2.676 62 A HA 0.123 4.443 4.320 -0.000 0.000 0.258 62 A C 0.827 178.295 177.584 -0.193 0.000 0.898 62 A CA -0.044 51.927 52.037 -0.109 0.000 1.087 62 A CB -0.312 18.715 19.000 0.044 0.000 1.214 62 A HN 0.563 nan 8.150 nan 0.000 0.474 63 T N -3.224 111.206 114.554 -0.206 0.000 3.107 63 T HA 0.321 4.671 4.350 -0.000 0.000 0.249 63 T C 0.557 175.095 174.700 -0.271 0.000 1.096 63 T CA 0.832 62.779 62.100 -0.255 0.000 1.012 63 T CB -0.023 68.723 68.868 -0.203 0.000 0.977 63 T HN 0.393 nan 8.240 nan 0.000 0.527 64 T N 0.118 114.525 114.554 -0.246 0.000 2.868 64 T HA 0.547 4.896 4.350 -0.000 0.000 0.306 64 T C -1.840 172.773 174.700 -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 69.655 68.868 -0.133 0.000 1.221 64 T HN 0.027 nan 8.240 nan 0.000 0.499 65 F N 3.342 123.229 119.950 -0.106 0.000 2.504 65 F HA 0.380 4.907 4.527 -0.000 0.000 0.369 65 F C 1.260 177.031 175.800 -0.048 0.000 1.082 65 F CA -0.437 57.521 58.000 -0.069 0.000 1.216 65 F CB 0.754 39.726 39.000 -0.046 0.000 1.108 65 F HN 0.439 nan 8.300 nan 0.000 0.554 66 Q N 2.163 122.101 119.800 0.229 0.000 2.397 66 Q HA 0.144 4.484 4.340 -0.000 0.000 0.193 66 Q C -0.071 176.010 176.000 0.136 0.000 1.083 66 Q CA -0.436 55.469 55.803 0.169 0.000 1.108 66 Q CB 0.459 29.399 28.738 0.336 0.000 1.172 66 Q HN 0.480 nan 8.270 nan 0.000 0.617 67 N N -0.037 118.745 118.700 0.136 0.000 2.492 67 N HA 0.038 4.777 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 0.028 53.103 53.050 0.041 0.000 0.926 67 N CB 0.537 39.042 38.487 0.031 0.000 1.078 67 N HN 0.185 nan 8.380 nan 0.000 0.454 68 V N 2.429 122.300 119.914 -0.071 0.000 2.655 68 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 68 V C 0.993 177.014 176.094 -0.120 0.000 1.044 68 V CA -0.530 61.697 62.300 -0.121 0.000 1.095 68 V CB 0.296 32.025 31.823 -0.158 0.000 0.952 68 V HN 0.725 nan 8.190 nan 0.000 0.485 69 c N 4.428 122.955 118.600 -0.121 0.000 2.741 69 c HA 0.038 4.608 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 -0.553 55.700 56.329 -0.127 0.000 2.053 69 c CB -0.712 41.742 42.510 -0.094 0.000 2.731 69 c HN 0.730 nan 8.230 nan 0.000 0.680 70 Y N 2.938 123.049 120.300 -0.316 0.000 2.677 70 Y HA 0.291 4.841 4.550 -0.000 0.000 0.335 70 Y C 0.686 176.585 175.900 -0.001 0.000 1.162 70 Y CA 0.916 58.830 58.100 -0.311 0.000 1.483 70 Y CB -0.107 37.888 38.460 -0.776 0.000 1.209 70 Y HN 0.725 nan 8.280 nan 0.000 0.528 71 Q N 4.072 123.661 119.800 -0.352 0.000 2.522 71 Q HA 0.262 4.602 4.340 -0.000 0.000 0.285 71 Q C -1.634 174.391 176.000 0.043 0.000 0.982 71 Q CA -1.230 54.590 55.803 0.028 0.000 0.805 71 Q CB 1.296 30.060 28.738 0.045 0.000 1.457 71 Q HN 0.632 nan 8.270 nan 0.000 0.394 72 Y N 1.091 121.492 120.300 0.167 0.000 2.652 72 Y HA 0.325 4.875 4.550 -0.000 0.000 0.344 72 Y C -1.009 174.995 175.900 0.174 0.000 1.254 72 Y CA 0.269 58.495 58.100 0.210 0.000 1.480 72 Y CB 0.829 39.526 38.460 0.396 0.000 1.345 72 Y HN 0.487 nan 8.280 nan 0.000 0.617 73 V N 6.233 125.896 119.914 -0.417 0.000 2.495 73 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 73 V C -0.449 175.501 176.094 -0.241 0.000 1.031 73 V CA -1.143 61.042 62.300 -0.192 0.000 0.871 73 V CB 1.634 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 3.012 123.519 120.400 0.179 0.000 2.348 74 D HA 0.160 4.799 4.640 -0.000 0.000 0.253 74 D C 0.615 177.005 176.300 0.149 0.000 1.161 74 D CA 0.106 54.301 54.000 0.326 0.000 0.876 74 D CB 1.762 42.842 40.800 0.467 0.000 1.160 74 D HN 0.699 nan 8.370 nan 0.000 0.459 75 T N 2.950 117.573 114.554 0.116 0.000 3.440 75 T HA -0.006 4.344 4.350 -0.000 0.000 0.209 75 T C 1.709 176.420 174.700 0.019 0.000 0.906 75 T CA 0.000 62.123 62.100 0.038 0.000 1.757 75 T CB -0.313 68.554 68.868 -0.002 0.000 1.568 75 T HN 0.451 nan 8.240 nan 0.000 0.454 76 L N 0.160 121.330 121.223 -0.088 0.000 3.431 76 L HA -0.280 4.059 4.340 -0.000 0.000 0.056 76 L C -0.385 176.226 176.870 -0.431 0.000 4.413 76 L CA 2.144 56.767 54.840 -0.361 0.000 0.544 76 L CB -1.420 40.310 42.059 -0.548 0.000 3.531 76 L HN 0.646 nan 8.230 nan 0.000 0.663 77 Y N 1.805 122.098 120.300 -0.011 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 -3.142 54.946 58.100 -0.021 0.000 1.213 77 Y CB 0.097 38.490 38.460 -0.111 0.000 1.120 77 Y HN 0.232 nan 8.280 nan 0.000 0.598 78 P HA 0.182 nan 4.420 nan 0.000 0.271 78 P C 0.984 178.341 177.300 0.094 0.000 1.226 78 P CA 0.859 64.017 63.100 0.097 0.000 0.765 78 P CB 1.315 33.042 31.700 0.046 0.000 0.835 79 G N 2.678 111.520 108.800 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 -0.218 174.714 174.900 0.054 0.000 0.979 79 G CA -0.246 44.875 45.100 0.035 0.000 0.641 79 G HN 0.555 nan 8.290 nan 0.000 0.530 80 F N 2.342 122.250 119.950 -0.070 0.000 2.424 80 F HA 0.551 5.078 4.527 -0.000 0.000 0.356 80 F C 1.335 177.028 175.800 -0.178 0.000 1.110 80 F CA -0.374 57.533 58.000 -0.155 0.000 1.161 80 F CB 0.955 39.834 39.000 -0.203 0.000 1.115 80 F HN 0.206 nan 8.300 nan 0.000 0.507 81 E N 3.966 123.694 120.200 -0.787 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 -0.987 0.000 1.000 81 E CA 1.511 57.459 56.400 -0.753 0.000 0.804 81 E CB -0.289 29.065 29.700 -0.578 0.000 0.740 81 E HN 1.020 nan 8.360 nan 0.000 0.454 82 G N -0.075 107.503 108.800 -2.037 0.000 2.442 82 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.219 82 G HA3 -0.323 3.636 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 1.765 46.099 45.100 -1.277 0.000 0.763 82 G HN 0.478 nan 8.290 nan 0.000 0.554 83 T N -1.502 113.046 114.554 -0.009 0.000 3.004 83 T HA 0.124 4.474 4.350 -0.000 0.000 0.243 83 T C 1.970 176.838 174.700 0.279 0.000 1.020 83 T CA 0.859 63.288 62.100 0.547 0.000 1.145 83 T CB -0.045 69.179 68.868 0.594 0.000 0.876 83 T HN 0.110 nan 8.240 nan 0.000 0.449 84 E N 2.616 122.832 120.200 0.027 0.000 2.070 84 E HA -0.194 4.155 4.350 -0.000 0.000 0.197 84 E C 2.294 178.806 176.600 -0.147 0.000 1.004 84 E CA 1.743 58.118 56.400 -0.042 0.000 0.805 84 E CB -0.681 28.957 29.700 -0.103 0.000 0.744 84 E HN 0.793 nan 8.360 nan 0.000 0.451 85 M N -2.019 117.375 119.600 -0.344 0.000 2.419 85 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 85 M C 1.535 177.441 176.300 -0.656 0.000 1.073 85 M CA 1.650 56.605 55.300 -0.576 0.000 1.056 85 M CB -0.686 31.427 32.600 -0.812 0.000 1.394 85 M HN 0.049 nan 8.290 nan 0.000 0.444 86 W N 0.656 121.907 121.300 -0.082 0.000 2.872 86 W HA 0.242 4.902 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 -1.024 56.262 57.345 -0.099 0.000 1.471 86 W CB -0.051 29.421 29.460 0.020 0.000 1.071 86 W HN 0.124 nan 8.180 nan 0.000 0.619 87 N N 1.678 120.437 118.700 0.098 0.000 2.371 87 N HA 0.070 4.810 4.740 -0.000 0.000 0.243 87 N C -2.344 173.120 175.510 -0.076 0.000 1.287 87 N CA -1.004 52.063 53.050 0.028 0.000 0.911 87 N CB -0.194 38.309 38.487 0.027 0.000 1.142 87 N HN -0.287 nan 8.380 nan 0.000 0.451 88 P HA 0.111 nan 4.420 nan 0.000 0.268 88 P C -0.019 177.199 177.300 -0.136 0.000 1.205 88 P CA -0.025 62.990 63.100 -0.141 0.000 0.771 88 P CB 0.351 31.965 31.700 -0.142 0.000 0.858 89 N N 0.936 119.540 118.700 -0.160 0.000 2.170 89 N HA 0.127 4.866 4.740 -0.000 0.000 0.222 89 N C 0.186 175.635 175.510 -0.102 0.000 1.218 89 N CA -0.117 52.853 53.050 -0.134 0.000 0.889 89 N CB 0.295 38.688 38.487 -0.156 0.000 1.083 89 N HN 0.085 nan 8.380 nan 0.000 0.520 90 R N 0.289 120.725 120.500 -0.107 0.000 2.922 90 R HA 0.441 4.781 4.340 -0.000 0.000 0.256 90 R C -0.396 175.864 176.300 -0.067 0.000 1.138 90 R CA -0.801 55.257 56.100 -0.070 0.000 0.995 90 R CB 0.473 30.731 30.300 -0.070 0.000 1.226 90 R HN 0.144 nan 8.270 nan 0.000 0.481 91 E N 0.755 120.929 120.200 -0.042 0.000 2.366 91 E HA 0.176 4.526 4.350 -0.000 0.000 0.266 91 E C -0.151 176.420 176.600 -0.048 0.000 1.051 91 E CA -0.264 56.113 56.400 -0.039 0.000 0.884 91 E CB 0.798 30.488 29.700 -0.017 0.000 1.006 91 E HN 0.220 nan 8.360 nan 0.000 0.417 92 L N 1.898 123.089 121.223 -0.053 0.000 2.439 92 L HA 0.189 4.529 4.340 -0.000 0.000 0.269 92 L C 0.380 177.282 176.870 0.053 0.000 1.179 92 L CA 0.318 55.118 54.840 -0.067 0.000 0.828 92 L CB 0.864 42.806 42.059 -0.196 0.000 1.106 92 L HN 0.476 nan 8.230 nan 0.000 0.467 93 S N 0.708 116.442 115.700 0.058 0.000 2.580 93 S HA 0.140 4.610 4.470 -0.000 0.000 0.281 93 S C 0.059 174.598 174.600 -0.102 0.000 1.129 93 S CA -0.761 57.450 58.200 0.017 0.000 0.862 93 S CB 1.241 64.425 63.200 -0.027 0.000 1.090 93 S HN 0.736 nan 8.310 nan 0.000 0.451 94 E N 0.967 121.041 120.200 -0.211 0.000 2.338 94 E HA -0.061 4.289 4.350 -0.000 0.000 0.197 94 E C -0.335 176.117 176.600 -0.247 0.000 1.007 94 E CA 0.576 56.788 56.400 -0.313 0.000 0.849 94 E CB 0.041 29.520 29.700 -0.369 0.000 0.774 94 E HN 0.555 nan 8.360 nan 0.000 0.506 95 D N 0.305 120.590 120.400 -0.192 0.000 2.468 95 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 95 D C 0.044 176.183 176.300 -0.269 0.000 1.155 95 D CA -0.376 53.500 54.000 -0.207 0.000 0.924 95 D CB 0.111 40.849 40.800 -0.104 0.000 1.029 95 D HN 0.124 nan 8.370 nan 0.000 0.515 96 c N 2.357 120.688 118.600 -0.449 0.000 4.015 96 c HA 0.349 4.919 4.570 -0.000 0.000 0.323 96 c C 0.759 174.430 174.090 -0.698 0.000 1.724 96 c CA -0.620 55.420 56.329 -0.483 0.000 1.828 96 c CB -1.194 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 2.813 123.485 121.223 -0.917 0.000 2.382 97 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 97 L C -0.722 175.517 176.870 -1.052 0.000 1.291 97 L CA 0.768 55.046 54.840 -0.936 0.000 1.176 97 L CB -0.833 40.621 42.059 -1.008 0.000 1.373 97 L HN 0.372 nan 8.230 nan 0.000 0.426 98 Y N 1.452 121.729 120.300 -0.039 0.000 2.633 98 Y HA 0.694 5.244 4.550 -0.000 0.000 0.339 98 Y C 0.126 176.232 175.900 0.344 0.000 1.045 98 Y CA -1.662 56.507 58.100 0.115 0.000 1.098 98 Y CB 1.646 40.119 38.460 0.023 0.000 1.296 98 Y HN 0.167 nan 8.280 nan 0.000 0.494 99 L N -0.456 120.967 121.223 0.332 0.000 2.250 99 L HA 0.801 5.141 4.340 -0.000 0.000 0.252 99 L C -1.173 175.753 176.870 0.093 0.000 1.054 99 L CA -1.020 53.901 54.840 0.135 0.000 0.856 99 L CB 1.620 43.574 42.059 -0.175 0.000 1.443 99 L HN 0.472 nan 8.230 nan 0.000 0.427 100 N N -0.806 117.965 118.700 0.118 0.000 2.321 100 N HA 0.791 5.530 4.740 -0.000 0.000 0.290 100 N C -1.630 173.907 175.510 0.045 0.000 1.212 100 N CA -0.422 52.641 53.050 0.020 0.000 0.767 100 N CB 2.779 41.249 38.487 -0.029 0.000 1.494 100 N HN 0.488 nan 8.380 nan 0.000 0.479 101 V N 0.850 120.708 119.914 -0.093 0.000 2.686 101 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 101 V C -1.121 175.067 176.094 0.157 0.000 1.065 101 V CA -0.747 61.604 62.300 0.085 0.000 0.894 101 V CB 2.431 34.124 31.823 -0.217 0.000 1.004 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 2.043 123.451 121.300 0.179 0.000 2.656 102 W HA 0.693 5.352 4.660 -0.000 0.000 0.327 102 W C -0.398 176.243 176.519 0.204 0.000 1.041 102 W CA -0.608 56.851 57.345 0.190 0.000 1.229 102 W CB 2.567 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 0.462 0.000 2.909 103 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 103 T C -2.566 172.322 174.700 0.314 0.000 1.073 103 T CA -1.346 60.969 62.100 0.359 0.000 0.999 103 T CB 2.560 71.657 68.868 0.382 0.000 1.098 103 T HN 0.047 nan 8.240 nan 0.000 0.477 104 P HA 0.123 nan 4.420 nan 0.000 0.271 104 P C -1.382 176.065 177.300 0.245 0.000 1.216 104 P CA -0.333 62.892 63.100 0.207 0.000 0.776 104 P CB 0.455 32.240 31.700 0.142 0.000 0.881 105 Y N 5.740 126.099 120.300 0.098 0.000 2.404 105 Y HA 0.379 4.929 4.550 -0.000 0.000 0.344 105 Y C -2.074 173.862 175.900 0.060 0.000 0.970 105 Y CA -2.378 55.771 58.100 0.082 0.000 1.180 105 Y CB 0.712 39.209 38.460 0.062 0.000 1.138 105 Y HN 0.309 nan 8.280 nan 0.000 0.510 106 P HA 0.356 nan 4.420 nan 0.000 0.285 106 P C -0.792 176.493 177.300 -0.025 0.000 1.280 106 P CA -0.786 62.154 63.100 -0.266 0.000 0.862 106 P CB 1.535 33.021 31.700 -0.355 0.000 1.153 107 R N 1.091 121.615 120.500 0.040 0.000 2.503 107 R HA -0.029 4.311 4.340 -0.000 0.000 0.271 107 R C -1.579 174.746 176.300 0.041 0.000 0.960 107 R CA -0.216 55.929 56.100 0.075 0.000 1.104 107 R CB -0.739 29.594 30.300 0.055 0.000 0.879 107 R HN 0.484 nan 8.270 nan 0.000 0.420 108 P HA -0.085 nan 4.420 nan 0.000 0.272 108 P C -0.191 177.121 177.300 0.019 0.000 1.248 108 P CA 0.220 63.345 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 -0.109 122.717 122.820 0.011 0.000 1.861 109 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 109 A C 1.355 178.939 177.584 0.000 0.000 1.199 109 A CA 1.535 53.572 52.037 0.001 0.000 0.613 109 A CB -0.732 18.267 19.000 -0.002 0.000 0.846 109 A HN 0.597 nan 8.150 nan 0.000 0.446 110 S N -1.123 114.579 115.700 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 -1.684 56.517 58.200 0.002 0.000 0.953 110 S CB 1.129 64.328 63.200 -0.003 0.000 1.107 110 S HN -0.014 nan 8.310 nan 0.000 0.503 111 P HA 0.063 nan 4.420 nan 0.000 0.243 111 P C -0.572 176.737 177.300 0.016 0.000 1.134 111 P CA 0.573 63.681 63.100 0.013 0.000 1.109 111 P CB -0.649 31.051 31.700 -0.001 0.000 1.140 112 T N 6.152 120.726 114.554 0.033 0.000 2.898 112 T HA 0.214 4.563 4.350 -0.000 0.000 0.301 112 T C -2.001 172.721 174.700 0.036 0.000 1.049 112 T CA -1.015 61.105 62.100 0.034 0.000 1.095 112 T CB 0.014 68.915 68.868 0.055 0.000 0.976 112 T HN 0.243 nan 8.240 nan 0.000 0.539 113 P HA 0.228 nan 4.420 nan 0.000 0.275 113 P C -0.769 176.564 177.300 0.055 0.000 1.228 113 P CA -0.380 62.733 63.100 0.021 0.000 0.786 113 P CB 0.571 32.263 31.700 -0.013 0.000 0.927 114 V N 1.067 121.031 119.914 0.083 0.000 2.483 114 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 114 V C -0.365 175.808 176.094 0.133 0.000 1.035 114 V CA -1.007 61.365 62.300 0.121 0.000 0.896 114 V CB 1.393 33.306 31.823 0.150 0.000 0.986 114 V HN 0.187 nan 8.190 nan 0.000 0.447 115 L N 5.684 126.995 121.223 0.146 0.000 2.297 115 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 115 L C -0.134 176.979 176.870 0.404 0.000 1.040 115 L CA -0.291 54.656 54.840 0.178 0.000 0.867 115 L CB 0.636 42.679 42.059 -0.027 0.000 1.244 115 L HN 0.641 nan 8.230 nan 0.000 0.433 116 I N 3.885 124.702 120.570 0.412 0.000 2.337 116 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 116 I C -0.317 176.083 176.117 0.470 0.000 1.046 116 I CA -0.088 61.437 61.300 0.375 0.000 1.324 116 I CB 0.406 38.529 38.000 0.205 0.000 1.409 116 I HN 0.600 nan 8.210 nan 0.000 0.494 117 W N 8.900 130.322 121.300 0.203 0.000 2.417 117 W HA 0.530 5.190 4.660 -0.000 0.000 0.317 117 W C -1.496 174.913 176.519 -0.183 0.000 1.121 117 W CA -0.819 56.423 57.345 -0.171 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 9.104 128.935 120.570 -1.232 0.000 2.390 118 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 118 I C -0.170 175.065 176.117 -1.470 0.000 1.016 118 I CA -1.101 59.546 61.300 -1.088 0.000 1.151 118 I CB 0.485 38.043 38.000 -0.737 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.640 124.411 120.300 -0.881 0.000 2.511 119 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 119 Y C 0.525 176.275 175.900 -0.250 0.000 1.257 119 Y CA -0.882 56.935 58.100 -0.472 0.000 1.469 119 Y CB 0.096 38.687 38.460 0.219 0.000 1.353 119 Y HN 0.494 nan 8.280 nan 0.000 0.617 120 G N -0.774 108.068 108.800 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 -0.476 174.346 174.900 -0.129 0.000 1.314 120 G CA -0.762 44.288 45.100 -0.084 0.000 0.975 120 G HN 1.370 nan 8.290 nan 0.000 0.485 121 G N -0.889 107.715 108.800 -0.326 0.000 4.836 121 G HA2 0.522 4.482 3.960 -0.000 0.000 0.222 121 G HA3 0.522 4.482 3.960 -0.000 0.000 0.222 121 G C 0.817 175.149 174.900 -0.946 0.000 1.332 121 G CA 0.843 45.597 45.100 -0.577 0.000 0.606 121 G HN 2.086 nan 8.290 nan 0.000 0.357 122 G N 0.140 108.372 108.800 -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 0.880 175.436 174.900 -0.573 0.000 0.979 122 G CA 0.613 44.863 45.100 -1.417 0.000 0.663 122 G HN 1.476 nan 8.290 nan 0.000 0.533 123 F N -3.314 116.478 119.950 -0.263 0.000 2.748 123 F HA -0.291 4.235 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 2.169 60.140 58.000 -0.049 0.000 1.233 123 F CB -1.979 36.876 39.000 -0.240 0.000 1.708 123 F HN 0.961 nan 8.300 nan 0.000 0.298 124 Y N -1.030 119.333 120.300 0.106 0.000 2.453 124 Y HA 0.662 5.212 4.550 -0.000 0.000 0.247 124 Y C 0.644 176.623 175.900 0.132 0.000 1.124 124 Y CA 0.329 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 -0.531 114.898 115.700 -0.451 0.000 2.752 125 S HA 0.872 5.342 4.470 -0.000 0.000 0.284 125 S C -0.198 174.248 174.600 -0.256 0.000 1.189 125 S CA -0.395 57.619 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 -0.610 108.025 108.800 -0.276 0.000 2.539 126 G HA2 0.542 4.502 3.960 -0.000 0.000 0.686 126 G HA3 0.542 4.502 3.960 -0.000 0.000 0.686 126 G C -0.597 173.646 174.900 -1.095 0.000 1.258 126 G CA -0.292 44.510 45.100 -0.496 0.000 0.846 126 G HN 2.255 nan 8.290 nan 0.000 0.647 127 A N -0.443 121.620 122.820 -1.261 0.000 2.565 127 A HA 0.982 5.302 4.320 -0.000 0.000 0.298 127 A C 0.737 178.111 177.584 -0.350 0.000 1.062 127 A CA 0.819 52.268 52.037 -0.979 0.000 0.723 127 A CB 0.821 19.533 19.000 -0.480 0.000 1.282 127 A HN 2.595 nan 8.150 nan 0.000 0.400 128 A N 1.009 123.864 122.820 0.058 0.000 1.972 128 A HA 0.022 4.341 4.320 -0.000 0.000 0.219 128 A C 2.022 179.534 177.584 -0.120 0.000 1.169 128 A CA 2.454 54.694 52.037 0.339 0.000 0.635 128 A CB -0.793 18.494 19.000 0.479 0.000 0.810 128 A HN 1.560 nan 8.150 nan 0.000 0.446 129 S N -0.016 115.355 115.700 -0.549 0.000 2.461 129 S HA -0.070 4.400 4.470 -0.000 0.000 0.246 129 S C 0.785 174.957 174.600 -0.714 0.000 1.007 129 S CA 0.375 57.861 58.200 -1.190 0.000 0.976 129 S CB -0.746 62.008 63.200 -0.743 0.000 0.763 129 S HN 0.512 nan 8.310 nan 0.000 0.508 130 L N 1.962 122.884 121.223 -0.501 0.000 2.483 130 L HA 0.024 4.364 4.340 -0.000 0.000 0.275 130 L C 1.386 177.985 176.870 -0.451 0.000 1.220 130 L CA -0.364 54.157 54.840 -0.532 0.000 0.833 130 L CB 0.212 41.785 42.059 -0.811 0.000 1.102 130 L HN 0.032 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 1.974 178.075 176.300 -0.332 0.000 0.990 131 D CA 1.501 55.341 54.000 -0.266 0.000 0.826 131 D CB -0.114 40.544 40.800 -0.236 0.000 0.971 131 D HN 0.512 nan 8.370 nan 0.000 0.453 132 V N -0.943 118.667 119.914 -0.506 0.000 3.186 132 V HA -0.166 3.954 4.120 -0.000 0.000 0.270 132 V C 0.583 176.287 176.094 -0.649 0.000 1.149 132 V CA 1.089 63.104 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 0.116 nan 8.190 nan 0.000 0.516 133 Y N 0.023 119.841 120.300 -0.803 0.000 2.708 133 Y HA 0.480 5.030 4.550 -0.000 0.000 0.287 133 Y C 0.698 176.003 175.900 -0.992 0.000 1.145 133 Y CA -2.158 55.025 58.100 -1.528 0.000 1.249 133 Y CB -0.898 36.868 38.460 -1.157 0.000 1.152 133 Y HN 0.233 nan 8.280 nan 0.000 0.532 134 D N 1.110 121.258 120.400 -0.420 0.000 2.357 134 D HA 0.059 4.699 4.640 -0.000 0.000 0.265 134 D C 1.421 177.506 176.300 -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 41.660 40.800 0.062 0.000 1.077 134 D HN 0.527 nan 8.370 nan 0.000 0.514 135 G N 4.216 112.307 108.800 -1.182 0.000 2.882 135 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 135 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 135 G C 1.520 175.786 174.900 -1.056 0.000 1.155 135 G CA 0.036 44.423 45.100 -1.189 0.000 0.800 135 G HN 0.503 nan 8.290 nan 0.000 0.524 136 R N 0.011 120.010 120.500 -0.835 0.000 2.066 136 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 136 R C 1.802 177.896 176.300 -0.342 0.000 1.131 136 R CA 1.201 57.058 56.100 -0.405 0.000 0.955 136 R CB -0.923 29.200 30.300 -0.295 0.000 0.851 136 R HN 0.346 nan 8.270 nan 0.000 0.432 137 F N 1.856 121.770 119.950 -0.059 0.000 2.069 137 F HA -0.121 4.406 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 1.125 59.100 58.000 -0.040 0.000 1.214 137 F CB -0.739 38.229 39.000 -0.053 0.000 0.978 137 F HN -0.102 nan 8.300 nan 0.000 0.474 138 L N -0.243 121.029 121.223 0.081 0.000 2.261 138 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 138 L C 2.449 179.323 176.870 0.007 0.000 1.114 138 L CA 1.069 55.903 54.840 -0.009 0.000 0.777 138 L CB -0.847 41.142 42.059 -0.117 0.000 0.910 138 L HN 0.224 nan 8.230 nan 0.000 0.440 139 A N -1.421 121.410 122.820 0.018 0.000 1.901 139 A HA -0.102 4.218 4.320 -0.000 0.000 0.210 139 A C 2.226 179.860 177.584 0.084 0.000 1.208 139 A CA 0.475 52.559 52.037 0.078 0.000 0.644 139 A CB -0.356 18.737 19.000 0.154 0.000 0.863 139 A HN 0.298 nan 8.150 nan 0.000 0.454 140 Q N 0.502 120.343 119.800 0.069 0.000 1.956 140 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 140 Q C 2.180 178.227 176.000 0.077 0.000 0.998 140 Q CA 2.607 58.456 55.803 0.076 0.000 0.855 140 Q CB -0.625 28.144 28.738 0.052 0.000 0.928 140 Q HN 0.343 nan 8.270 nan 0.000 0.418 141 V N 1.606 121.570 119.914 0.083 0.000 2.229 141 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 141 V C 1.993 178.115 176.094 0.047 0.000 1.042 141 V CA 2.083 64.426 62.300 0.070 0.000 1.000 141 V CB -0.491 31.379 31.823 0.079 0.000 0.637 141 V HN 0.367 nan 8.190 nan 0.000 0.446 142 E N 0.177 120.399 120.200 0.037 0.000 2.476 142 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 142 E C 1.514 178.130 176.600 0.027 0.000 1.064 142 E CA 0.705 57.118 56.400 0.021 0.000 0.866 142 E CB -0.193 29.509 29.700 0.003 0.000 0.952 142 E HN 0.676 nan 8.360 nan 0.000 0.492 143 G N 1.739 110.566 108.800 0.045 0.000 2.356 143 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.296 143 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.296 143 G C 0.274 175.210 174.900 0.060 0.000 1.022 143 G CA 0.489 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 -0.767 122.090 122.820 0.062 0.000 2.312 144 A HA 0.802 5.121 4.320 -0.000 0.000 0.328 144 A C 0.251 177.904 177.584 0.114 0.000 1.158 144 A CA -0.408 51.668 52.037 0.064 0.000 0.821 144 A CB 1.808 20.824 19.000 0.027 0.000 1.170 144 A HN 1.095 nan 8.150 nan 0.000 0.490 145 V N 3.182 123.173 119.914 0.129 0.000 2.372 145 V HA 0.241 4.361 4.120 -0.000 0.000 0.261 145 V C 0.047 176.261 176.094 0.199 0.000 1.055 145 V CA 0.057 62.467 62.300 0.183 0.000 0.930 145 V CB 0.357 32.285 31.823 0.176 0.000 1.031 145 V HN 0.721 nan 8.190 nan 0.000 0.479 146 L N 6.475 127.856 121.223 0.262 0.000 2.309 146 L HA 0.735 5.075 4.340 -0.000 0.000 0.282 146 L C -0.761 176.382 176.870 0.456 0.000 1.036 146 L CA -0.270 54.754 54.840 0.307 0.000 0.806 146 L CB 1.735 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 3.017 123.190 119.914 0.433 0.000 2.638 147 V HA 0.565 4.685 4.120 -0.000 0.000 0.306 147 V C -0.568 175.812 176.094 0.477 0.000 1.052 147 V CA -0.509 62.048 62.300 0.428 0.000 0.885 147 V CB 1.974 33.955 31.823 0.263 0.000 0.999 147 V HN 0.816 nan 8.190 nan 0.000 0.424 148 S N 5.880 121.905 115.700 0.541 0.000 2.707 148 S HA 0.754 5.224 4.470 -0.000 0.000 0.303 148 S C -0.648 174.181 174.600 0.382 0.000 1.132 148 S CA -0.766 57.751 58.200 0.527 0.000 1.046 148 S CB 1.691 65.311 63.200 0.702 0.000 1.004 148 S HN 0.824 nan 8.310 nan 0.000 0.483 149 M N 1.812 121.553 119.600 0.236 0.000 2.649 149 M HA 0.667 5.147 4.480 -0.000 0.000 0.294 149 M C -1.332 175.197 176.300 0.382 0.000 1.206 149 M CA -0.312 55.106 55.300 0.198 0.000 0.928 149 M CB 0.387 32.925 32.600 -0.104 0.000 1.571 149 M HN 0.505 nan 8.290 nan 0.000 0.501 150 N N 1.453 120.428 118.700 0.459 0.000 2.399 150 N HA 0.624 5.364 4.740 -0.000 0.000 0.295 150 N C -1.609 174.182 175.510 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 39.744 38.487 0.295 0.000 1.185 150 N HN 0.675 nan 8.380 nan 0.000 0.487 151 Y N -1.489 118.936 120.300 0.209 0.000 2.477 151 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 151 Y C -0.048 175.943 175.900 0.152 0.000 0.981 151 Y CA -1.346 56.828 58.100 0.124 0.000 1.033 151 Y CB 0.846 39.320 38.460 0.024 0.000 1.245 151 Y HN 0.201 nan 8.280 nan 0.000 0.455 152 R N 2.584 123.113 120.500 0.048 0.000 2.458 152 R HA 0.355 4.695 4.340 -0.000 0.000 0.303 152 R C 0.152 176.479 176.300 0.045 0.000 1.013 152 R CA -0.002 56.101 56.100 0.004 0.000 1.026 152 R CB 0.253 30.553 30.300 -0.000 0.000 0.948 152 R HN 0.728 nan 8.270 nan 0.000 0.417 153 V N 1.083 121.066 119.914 0.116 0.000 3.503 153 V HA 0.778 4.898 4.120 -0.000 0.000 0.294 153 V C 1.114 177.464 176.094 0.427 0.000 1.102 153 V CA -0.131 62.365 62.300 0.327 0.000 0.979 153 V CB 0.654 32.593 31.823 0.192 0.000 1.240 153 V HN 0.949 nan 8.190 nan 0.000 0.444 154 G N 0.977 110.057 108.800 0.467 0.000 2.578 154 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.284 154 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.284 154 G C 0.847 175.842 174.900 0.158 0.000 1.283 154 G CA 1.432 46.728 45.100 0.327 0.000 0.944 154 G HN 1.980 nan 8.290 nan 0.000 0.558 155 T N -0.806 113.556 114.554 -0.319 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 2.544 64.231 62.100 -0.689 0.000 1.144 155 T CB -0.392 67.901 68.868 -0.957 0.000 0.864 155 T HN 0.506 nan 8.240 nan 0.000 0.444 156 F N 2.203 122.208 119.950 0.093 0.000 2.134 156 F HA 0.172 4.699 4.527 -0.000 0.000 0.299 156 F C 2.824 178.626 175.800 0.003 0.000 1.097 156 F CA 0.767 58.810 58.000 0.073 0.000 1.264 156 F CB -1.216 37.777 39.000 -0.012 0.000 1.001 156 F HN 0.305 nan 8.300 nan 0.000 0.479 157 G N -1.303 107.566 108.800 0.115 0.000 2.426 157 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 157 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 157 G C 1.049 175.524 174.900 -0.708 0.000 1.156 157 G CA 0.484 45.399 45.100 -0.308 0.000 0.802 157 G HN 0.369 nan 8.290 nan 0.000 0.534 158 F N -0.508 119.497 119.950 0.093 0.000 2.817 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.333 158 F C 0.669 176.508 175.800 0.066 0.000 1.085 158 F CA -0.956 57.081 58.000 0.063 0.000 1.170 158 F CB 0.257 39.297 39.000 0.068 0.000 1.066 158 F HN -0.090 nan 8.300 nan 0.000 0.564 159 L N 2.256 123.486 121.223 0.012 0.000 2.640 159 L HA 0.324 4.664 4.340 -0.000 0.000 0.280 159 L C -0.018 176.795 176.870 -0.096 0.000 1.229 159 L CA 0.039 54.760 54.840 -0.200 0.000 0.919 159 L CB 0.145 41.779 42.059 -0.709 0.000 1.168 159 L HN 0.157 nan 8.230 nan 0.000 0.496 160 A N 5.609 128.440 122.820 0.018 0.000 2.475 160 A HA 0.734 5.053 4.320 -0.000 0.000 0.301 160 A C -1.343 176.219 177.584 -0.036 0.000 1.059 160 A CA -0.631 51.391 52.037 -0.026 0.000 0.710 160 A CB 1.550 20.573 19.000 0.038 0.000 1.288 160 A HN 0.606 nan 8.150 nan 0.000 0.408 161 L N 3.128 124.319 121.223 -0.053 0.000 2.445 161 L HA 0.364 4.704 4.340 -0.000 0.000 0.252 161 L C -2.242 174.619 176.870 -0.015 0.000 1.105 161 L CA -1.329 53.488 54.840 -0.038 0.000 0.943 161 L CB 1.345 43.372 42.059 -0.054 0.000 1.277 161 L HN 0.425 nan 8.230 nan 0.000 0.465 162 P HA 0.014 nan 4.420 nan 0.000 0.261 162 P C 1.046 178.350 177.300 0.006 0.000 1.158 162 P CA 1.276 64.380 63.100 0.006 0.000 0.758 162 P CB 0.698 32.402 31.700 0.007 0.000 0.763 163 G N 1.758 110.565 108.800 0.013 0.000 2.241 163 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.244 163 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.244 163 G C 0.381 175.289 174.900 0.013 0.000 0.998 163 G CA 0.328 45.436 45.100 0.014 0.000 0.621 163 G HN 0.908 nan 8.290 nan 0.000 0.519 164 S N 0.004 115.710 115.700 0.009 0.000 2.585 164 S HA 0.544 5.014 4.470 -0.000 0.000 0.273 164 S C 1.274 175.886 174.600 0.020 0.000 1.339 164 S CA 0.564 58.770 58.200 0.010 0.000 1.028 164 S CB 1.776 64.975 63.200 -0.001 0.000 0.906 164 S HN 0.462 nan 8.310 nan 0.000 0.528 165 R N 0.751 121.265 120.500 0.023 0.000 2.127 165 R HA 0.005 4.345 4.340 -0.000 0.000 0.217 165 R C 1.407 177.731 176.300 0.040 0.000 1.074 165 R CA 1.278 57.397 56.100 0.031 0.000 0.991 165 R CB -0.065 30.252 30.300 0.028 0.000 0.895 165 R HN 0.919 nan 8.270 nan 0.000 0.450 166 E N -1.010 119.216 120.200 0.044 0.000 2.474 166 E HA 0.112 4.462 4.350 -0.000 0.000 0.195 166 E C -0.357 176.305 176.600 0.104 0.000 1.039 166 E CA 0.138 56.580 56.400 0.071 0.000 0.881 166 E CB 1.221 30.965 29.700 0.074 0.000 0.970 166 E HN 0.164 nan 8.360 nan 0.000 0.486 167 A N 2.514 125.367 122.820 0.054 0.000 3.330 167 A HA 0.281 4.601 4.320 -0.000 0.000 0.256 167 A C -2.355 175.227 177.584 -0.003 0.000 1.185 167 A CA -0.746 51.307 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 0.823 178.138 177.300 0.025 0.000 1.223 168 P CA 1.343 64.458 63.100 0.025 0.000 0.796 168 P CB 0.451 32.175 31.700 0.039 0.000 1.068 169 G N 1.225 110.035 108.800 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 -0.288 44.823 45.100 0.018 0.000 0.826 169 G HN 0.134 nan 8.290 nan 0.000 0.582 170 N N -2.411 116.271 118.700 -0.030 0.000 2.828 170 N HA -0.286 4.454 4.740 -0.000 0.000 0.248 170 N C 1.890 177.215 175.510 -0.309 0.000 1.044 170 N CA 2.409 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 1.930 nan 8.380 nan 0.000 0.572 171 V N -2.522 117.226 119.914 -0.277 0.000 2.720 171 V HA 0.002 4.122 4.120 -0.000 0.000 0.256 171 V C 2.276 178.214 176.094 -0.260 0.000 1.082 171 V CA 2.286 64.471 62.300 -0.193 0.000 1.101 171 V CB -0.861 30.905 31.823 -0.094 0.000 0.693 171 V HN 0.282 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 -0.073 3.887 3.960 -0.000 0.000 0.219 172 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.219 172 G C 1.503 176.379 174.900 -0.040 0.000 1.131 172 G CA 0.992 45.896 45.100 -0.327 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.130 120.987 121.223 -0.176 0.000 2.095 173 L HA 0.134 4.474 4.340 -0.000 0.000 0.204 173 L C 2.795 179.690 176.870 0.042 0.000 1.080 173 L CA 0.290 55.040 54.840 -0.149 0.000 0.759 173 L CB -0.311 41.365 42.059 -0.640 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 2.131 174 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 174 L C 2.160 179.139 176.870 0.182 0.000 1.092 174 L CA 1.053 55.998 54.840 0.175 0.000 0.759 174 L CB -0.742 41.393 42.059 0.125 0.000 0.903 174 L HN 0.315 nan 8.230 nan 0.000 0.435 175 D N 0.215 120.708 120.400 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 1.341 55.512 54.000 0.285 0.000 0.828 175 D CB -0.289 40.685 40.800 0.291 0.000 0.968 175 D HN 0.402 nan 8.370 nan 0.000 0.448 176 Q N 0.138 120.015 119.800 0.129 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 -0.054 0.000 0.982 176 Q CA 1.315 57.105 55.803 -0.022 0.000 0.850 176 Q CB -0.223 28.480 28.738 -0.058 0.000 0.901 176 Q HN 0.264 nan 8.270 nan 0.000 0.422 177 R N 1.013 121.560 120.500 0.080 0.000 2.081 177 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 177 R C 2.193 178.510 176.300 0.030 0.000 1.131 177 R CA 1.035 57.135 56.100 0.001 0.000 0.960 177 R CB -0.343 30.062 30.300 0.175 0.000 0.856 177 R HN 0.327 nan 8.270 nan 0.000 0.436 178 L N 0.722 122.017 121.223 0.119 0.000 2.046 178 L HA -0.126 4.214 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 1.900 56.850 54.840 0.184 0.000 0.747 178 L CB -0.773 41.498 42.059 0.353 0.000 0.896 178 L HN 0.438 nan 8.230 nan 0.000 0.432 179 A N -0.351 122.288 122.820 -0.302 0.000 1.933 179 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 179 A C 2.054 179.551 177.584 -0.145 0.000 1.175 179 A CA 1.324 52.971 52.037 -0.651 0.000 0.628 179 A CB -0.521 17.888 19.000 -0.985 0.000 0.814 179 A HN 0.396 nan 8.150 nan 0.000 0.444 180 L N 0.016 121.177 121.223 -0.104 0.000 2.017 180 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 180 L C 2.715 179.631 176.870 0.077 0.000 1.073 180 L CA 2.243 57.069 54.840 -0.024 0.000 0.745 180 L CB -1.104 40.883 42.059 -0.121 0.000 0.894 180 L HN 0.530 nan 8.230 nan 0.000 0.432 181 Q N -2.443 117.414 119.800 0.094 0.000 2.226 181 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 181 Q C 2.071 178.188 176.000 0.195 0.000 0.975 181 Q CA 1.777 57.656 55.803 0.126 0.000 0.866 181 Q CB -0.445 28.368 28.738 0.125 0.000 0.915 181 Q HN 0.649 nan 8.270 nan 0.000 0.440 182 W N 0.507 121.824 121.300 0.028 0.000 2.408 182 W HA -0.143 4.517 4.660 -0.000 0.000 0.311 182 W C 2.049 178.597 176.519 0.049 0.000 1.190 182 W CA 0.840 58.224 57.345 0.065 0.000 1.321 182 W CB -0.321 29.192 29.460 0.087 0.000 1.143 182 W HN -0.117 nan 8.180 nan 0.000 0.501 183 V N 1.274 121.491 119.914 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 0.077 0.000 1.062 183 V CA 2.692 65.173 62.300 0.301 0.000 1.038 183 V CB -0.835 31.145 31.823 0.263 0.000 0.646 183 V HN 0.336 nan 8.190 nan 0.000 0.447 184 Q N 0.990 120.838 119.800 0.080 0.000 1.998 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.209 184 Q C 1.929 177.915 176.000 -0.024 0.000 1.002 184 Q CA 2.608 58.437 55.803 0.043 0.000 0.858 184 Q CB -0.442 28.326 28.738 0.050 0.000 0.932 184 Q HN 0.922 nan 8.270 nan 0.000 0.416 185 E N -1.509 118.648 120.200 -0.072 0.000 2.365 185 E HA 0.043 4.393 4.350 -0.000 0.000 0.188 185 E C 0.175 176.621 176.600 -0.256 0.000 1.102 185 E CA 0.219 56.542 56.400 -0.127 0.000 0.927 185 E CB 0.138 29.786 29.700 -0.087 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 0.796 176.191 175.510 -0.193 0.000 1.421 186 N CA -0.003 52.784 53.050 -0.438 0.000 0.746 186 N CB 0.263 38.049 38.487 -1.169 0.000 1.059 186 N HN 0.108 nan 8.380 nan 0.000 0.518 187 I N 2.564 123.069 120.570 -0.108 0.000 2.614 187 I HA 0.020 4.190 4.170 -0.000 0.000 0.258 187 I C 2.214 178.448 176.117 0.196 0.000 1.189 187 I CA 0.822 62.183 61.300 0.101 0.000 1.462 187 I CB -0.345 37.709 38.000 0.090 0.000 1.092 187 I HN 0.110 nan 8.210 nan 0.000 0.442 188 A N 0.950 123.811 122.820 0.069 0.000 1.896 188 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 188 A C 2.460 180.058 177.584 0.023 0.000 1.206 188 A CA 2.351 54.408 52.037 0.034 0.000 0.647 188 A CB -1.522 17.468 19.000 -0.017 0.000 0.828 188 A HN 0.537 nan 8.150 nan 0.000 0.455 189 A N -2.410 120.391 122.820 -0.033 0.000 2.234 189 A HA 0.131 4.451 4.320 -0.000 0.000 0.216 189 A C 1.302 178.646 177.584 -0.399 0.000 1.167 189 A CA 1.204 53.109 52.037 -0.220 0.000 0.698 189 A CB -0.692 18.107 19.000 -0.336 0.000 0.779 189 A HN 0.511 nan 8.150 nan 0.000 0.475 190 F N -1.604 118.290 119.950 -0.095 0.000 2.661 190 F HA 0.401 4.928 4.527 -0.000 0.000 0.306 190 F C 1.644 177.439 175.800 -0.007 0.000 1.094 190 F CA 0.258 58.205 58.000 -0.088 0.000 1.254 190 F CB 0.350 39.299 39.000 -0.086 0.000 1.040 190 F HN 0.279 nan 8.300 nan 0.000 0.562 191 G N 0.463 109.333 108.800 0.116 0.000 2.141 191 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G C 0.554 175.516 174.900 0.104 0.000 0.982 191 G CA -0.214 44.938 45.100 0.087 0.000 0.662 191 G HN 0.729 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 0.503 4.463 3.960 -0.000 0.000 0.302 192 G HA3 0.503 4.463 3.960 -0.000 0.000 0.302 192 G C -0.814 174.131 174.900 0.076 0.000 1.159 192 G CA 0.072 45.240 45.100 0.114 0.000 0.865 192 G HN 0.199 nan 8.290 nan 0.000 0.515 193 D N 1.389 121.826 120.400 0.060 0.000 2.380 193 D HA 0.269 4.909 4.640 -0.000 0.000 0.230 193 D C -1.074 175.259 176.300 0.055 0.000 1.154 193 D CA -2.366 51.655 54.000 0.035 0.000 0.859 193 D CB 1.810 42.614 40.800 0.006 0.000 1.045 193 D HN 0.053 nan 8.370 nan 0.000 0.495 194 P HA -0.105 nan 4.420 nan 0.000 0.236 194 P C 0.919 178.303 177.300 0.140 0.000 1.172 194 P CA 0.425 63.581 63.100 0.094 0.000 0.759 194 P CB 0.294 32.029 31.700 0.059 0.000 0.843 195 M N -0.758 118.857 119.600 0.024 0.000 2.382 195 M HA 0.100 4.580 4.480 -0.000 0.000 0.247 195 M C 0.823 176.849 176.300 -0.456 0.000 1.104 195 M CA 0.143 55.332 55.300 -0.185 0.000 1.030 195 M CB -0.651 31.845 32.600 -0.173 0.000 1.424 195 M HN -0.107 nan 8.290 nan 0.000 0.486 196 S N 0.433 116.071 115.700 -0.103 0.000 2.204 196 S HA 0.441 4.911 4.470 -0.000 0.000 0.147 196 S C -0.856 173.838 174.600 0.158 0.000 1.711 196 S CA -0.585 57.591 58.200 -0.040 0.000 1.274 196 S CB 0.161 63.303 63.200 -0.097 0.000 1.257 196 S HN -0.081 nan 8.310 nan 0.000 0.404 197 V N 3.218 123.383 119.914 0.417 0.000 2.385 197 V HA 0.447 4.566 4.120 -0.000 0.000 0.269 197 V C 0.274 176.543 176.094 0.292 0.000 1.043 197 V CA -0.080 62.404 62.300 0.308 0.000 0.906 197 V CB 1.287 33.269 31.823 0.265 0.000 0.995 197 V HN 0.777 nan 8.190 nan 0.000 0.467 198 T N 7.285 121.975 114.554 0.227 0.000 2.842 198 T HA 0.498 4.848 4.350 -0.000 0.000 0.308 198 T C -0.081 174.796 174.700 0.295 0.000 1.041 198 T CA -0.263 61.979 62.100 0.237 0.000 0.964 198 T CB 0.278 69.221 68.868 0.125 0.000 0.972 198 T HN 0.345 nan 8.240 nan 0.000 0.460 199 L N 4.691 126.088 121.223 0.290 0.000 2.439 199 L HA 0.573 4.912 4.340 -0.000 0.000 0.269 199 L C -0.245 176.872 176.870 0.412 0.000 1.179 199 L CA -0.456 54.522 54.840 0.230 0.000 0.828 199 L CB 0.218 42.246 42.059 -0.052 0.000 1.106 199 L HN 0.629 nan 8.230 nan 0.000 0.467 200 F N 0.534 120.554 119.950 0.117 0.000 2.651 200 F HA 0.810 5.337 4.527 -0.000 0.000 0.329 200 F C -0.526 175.271 175.800 -0.004 0.000 1.186 200 F CA -0.975 57.136 58.000 0.185 0.000 1.046 200 F CB 0.915 40.149 39.000 0.390 0.000 1.296 200 F HN 0.440 nan 8.300 nan 0.000 0.497 201 G N 2.474 111.090 108.800 -0.307 0.000 2.695 201 G HA2 0.525 4.485 3.960 -0.000 0.000 0.290 201 G HA3 0.525 4.485 3.960 -0.000 0.000 0.290 201 G C -2.234 172.419 174.900 -0.412 0.000 1.410 201 G CA -0.772 43.788 45.100 -0.899 0.000 0.844 201 G HN 0.811 nan 8.290 nan 0.000 0.478 202 E N -0.115 119.796 120.200 -0.482 0.000 2.285 202 E HA 0.580 4.930 4.350 -0.000 0.000 0.254 202 E C 1.165 177.667 176.600 -0.164 0.000 1.011 202 E CA 0.091 56.404 56.400 -0.145 0.000 0.873 202 E CB 1.987 31.695 29.700 0.014 0.000 1.229 202 E HN 0.525 nan 8.360 nan 0.000 0.422 203 S N 0.443 116.107 115.700 -0.060 0.000 4.103 203 S HA -0.396 4.074 4.470 -0.000 0.000 0.538 203 S C 1.458 176.093 174.600 0.058 0.000 1.351 203 S CA 2.481 60.731 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 0.732 123.450 122.820 -0.169 0.000 2.121 204 A HA 0.247 4.566 4.320 -0.000 0.000 0.218 204 A C 2.332 179.649 177.584 -0.445 0.000 1.154 204 A CA 1.880 53.656 52.037 -0.434 0.000 0.679 204 A CB -1.384 16.803 19.000 -1.356 0.000 0.795 204 A HN 1.180 nan 8.150 nan 0.000 0.458 205 G N -0.156 108.414 108.800 -0.384 0.000 2.421 205 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.216 205 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.216 205 G C 1.756 176.441 174.900 -0.358 0.000 1.171 205 G CA 1.298 46.110 45.100 -0.479 0.000 0.775 205 G HN 0.719 nan 8.290 nan 0.000 0.543 206 A N 1.413 124.084 122.820 -0.248 0.000 1.883 206 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 206 A C 2.859 180.385 177.584 -0.096 0.000 1.186 206 A CA 2.578 54.543 52.037 -0.120 0.000 0.624 206 A CB -1.016 17.974 19.000 -0.016 0.000 0.822 206 A HN 0.923 nan 8.150 nan 0.000 0.444 207 A N -0.636 122.145 122.820 -0.064 0.000 1.948 207 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 207 A C 2.452 180.002 177.584 -0.055 0.000 1.177 207 A CA 2.319 54.318 52.037 -0.063 0.000 0.636 207 A CB -0.879 18.110 19.000 -0.018 0.000 0.815 207 A HN 0.485 nan 8.150 nan 0.000 0.449 208 S N -0.602 115.041 115.700 -0.095 0.000 2.345 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 208 S C 1.916 176.353 174.600 -0.271 0.000 1.031 208 S CA 1.307 59.401 58.200 -0.177 0.000 0.996 208 S CB -0.610 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 1.987 121.782 119.914 -0.198 0.000 2.317 209 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 209 V C 2.605 178.627 176.094 -0.120 0.000 1.065 209 V CA 2.069 64.284 62.300 -0.142 0.000 1.049 209 V CB -1.600 30.164 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 2.440 210 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G C 1.605 176.476 174.900 -0.049 0.000 1.154 210 G CA 1.246 46.301 45.100 -0.075 0.000 0.767 210 G HN 0.465 nan 8.290 nan 0.000 0.552 211 M N -0.500 119.049 119.600 -0.084 0.000 2.296 211 M HA 0.025 4.505 4.480 -0.000 0.000 0.265 211 M C 2.227 178.554 176.300 0.044 0.000 1.064 211 M CA 1.007 56.306 55.300 -0.001 0.000 1.109 211 M CB -0.207 32.400 32.600 0.011 0.000 1.396 211 M HN 0.386 nan 8.290 nan 0.000 0.430 212 H N -0.078 119.024 119.070 0.053 0.000 2.326 212 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 212 H C 2.022 177.412 175.328 0.104 0.000 1.081 212 H CA 1.523 57.561 56.048 -0.016 0.000 1.334 212 H CB 0.008 29.593 29.762 -0.296 0.000 1.385 212 H HN 0.280 nan 8.280 nan 0.000 0.504 213 I N 0.246 120.966 120.570 0.249 0.000 2.264 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 213 I C 1.433 177.718 176.117 0.280 0.000 1.111 213 I CA 0.653 62.188 61.300 0.391 0.000 1.382 213 I CB 0.006 38.154 38.000 0.245 0.000 1.060 213 I HN 0.270 nan 8.210 nan 0.000 0.418 214 L N -0.311 121.018 121.223 0.177 0.000 2.478 214 L HA 0.095 4.435 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 55.946 54.840 0.162 0.000 0.842 214 L CB -0.829 41.293 42.059 0.106 0.000 0.953 214 L HN 0.012 nan 8.230 nan 0.000 0.452 215 S N -0.535 115.187 115.700 0.037 0.000 2.429 215 S HA 0.285 4.755 4.470 -0.000 0.000 0.302 215 S C 1.100 175.651 174.600 -0.081 0.000 1.115 215 S CA -0.649 57.461 58.200 -0.150 0.000 1.095 215 S CB 0.839 63.696 63.200 -0.572 0.000 0.987 215 S HN 0.005 nan 8.310 nan 0.000 0.474 216 L N 7.261 128.437 121.223 -0.080 0.000 1.944 216 L HA 0.014 4.353 4.340 -0.000 0.000 0.218 216 L C -0.689 176.160 176.870 -0.036 0.000 1.075 216 L CA 2.049 56.867 54.840 -0.037 0.000 0.767 216 L CB -2.119 39.919 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 1.765 179.058 177.300 -0.011 0.000 1.152 217 P CA 1.752 64.824 63.100 -0.046 0.000 0.857 217 P CB -0.070 31.591 31.700 -0.065 0.000 0.787 218 S N -1.344 114.353 115.700 -0.005 0.000 2.507 218 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 218 S C 1.786 176.561 174.600 0.292 0.000 0.988 218 S CA 0.554 58.821 58.200 0.112 0.000 0.944 218 S CB -0.466 62.835 63.200 0.169 0.000 0.762 218 S HN 0.095 nan 8.310 nan 0.000 0.526 219 R N 2.153 122.765 120.500 0.188 0.000 2.094 219 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 219 R C 2.339 178.529 176.300 -0.185 0.000 1.137 219 R CA 1.794 57.903 56.100 0.016 0.000 0.943 219 R CB -1.587 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 -0.009 4.460 4.470 -0.000 0.000 0.240 220 S C 1.705 176.238 174.600 -0.111 0.000 0.975 220 S CA 0.661 58.798 58.200 -0.104 0.000 0.949 220 S CB -0.349 62.831 63.200 -0.033 0.000 0.761 220 S HN 0.290 nan 8.310 nan 0.000 0.536 221 L N -0.131 121.077 121.223 -0.026 0.000 2.693 221 L HA 0.516 4.856 4.340 -0.000 0.000 0.235 221 L C -0.060 176.840 176.870 0.049 0.000 1.127 221 L CA -0.483 54.371 54.840 0.024 0.000 0.914 221 L CB -0.294 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 -3.012 116.704 119.950 -0.389 0.000 2.713 222 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 222 F C 0.124 175.577 175.800 -0.578 0.000 1.141 222 F CA -1.136 56.628 58.000 -0.393 0.000 0.939 222 F CB 0.911 39.839 39.000 -0.120 0.000 1.325 222 F HN -0.118 nan 8.300 nan 0.000 0.453 223 H N -1.015 118.030 119.070 -0.041 0.000 2.735 223 H HA 0.484 5.040 4.556 -0.000 0.000 0.250 223 H C 0.014 175.310 175.328 -0.054 0.000 0.948 223 H CA -0.136 55.815 56.048 -0.163 0.000 1.137 223 H CB 0.555 30.260 29.762 -0.095 0.000 1.440 223 H HN 0.381 nan 8.280 nan 0.000 0.444 224 R N 0.455 121.077 120.500 0.203 0.000 2.873 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.264 224 R C -1.281 175.280 176.300 0.435 0.000 1.026 224 R CA -0.833 55.385 56.100 0.197 0.000 1.002 224 R CB 2.287 32.486 30.300 -0.168 0.000 1.174 224 R HN 0.213 nan 8.270 nan 0.000 0.488 225 A N 1.090 124.219 122.820 0.515 0.000 2.520 225 A HA 0.626 4.946 4.320 -0.000 0.000 0.298 225 A C -1.426 176.364 177.584 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 0.345 nan 8.150 nan 0.000 0.402 226 V N 1.514 121.605 119.914 0.295 0.000 2.680 226 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 226 V C -1.114 175.115 176.094 0.225 0.000 1.052 226 V CA -0.503 61.934 62.300 0.228 0.000 0.908 226 V CB 1.629 33.711 31.823 0.433 0.000 1.001 226 V HN 0.711 nan 8.190 nan 0.000 0.431 227 L N 4.067 125.399 121.223 0.181 0.000 2.471 227 L HA 0.483 4.823 4.340 -0.000 0.000 0.263 227 L C -0.291 176.685 176.870 0.176 0.000 0.985 227 L CA -0.063 54.849 54.840 0.120 0.000 0.868 227 L CB 1.691 43.769 42.059 0.032 0.000 1.203 227 L HN 0.645 nan 8.230 nan 0.000 0.429 228 Q N 1.396 121.333 119.800 0.228 0.000 2.278 228 Q HA 0.497 4.837 4.340 -0.000 0.000 0.257 228 Q C 0.418 176.510 176.000 0.153 0.000 0.928 228 Q CA -0.611 55.361 55.803 0.281 0.000 0.932 228 Q CB 1.403 30.374 28.738 0.387 0.000 1.221 228 Q HN 0.554 nan 8.270 nan 0.000 0.434 229 S N 0.769 116.550 115.700 0.136 0.000 3.581 229 S HA -0.172 4.298 4.470 -0.000 0.000 0.354 229 S C 0.002 174.759 174.600 0.263 0.000 1.059 229 S CA 0.679 58.985 58.200 0.176 0.000 1.060 229 S CB -1.090 62.183 63.200 0.121 0.000 0.908 229 S HN 0.993 nan 8.310 nan 0.000 0.475 230 G N -0.629 108.279 108.800 0.180 0.000 2.616 230 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 230 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 230 G C -0.876 174.072 174.900 0.080 0.000 1.489 230 G CA 0.223 45.482 45.100 0.265 0.000 0.836 230 G HN 0.825 nan 8.290 nan 0.000 0.527 231 T N -1.550 112.980 114.554 -0.041 0.000 2.812 231 T HA 0.782 5.132 4.350 -0.000 0.000 0.294 231 T C -2.428 172.118 174.700 -0.257 0.000 1.159 231 T CA -1.302 60.710 62.100 -0.147 0.000 1.008 231 T CB 2.881 71.644 68.868 -0.175 0.000 1.289 231 T HN 0.296 nan 8.240 nan 0.000 0.514 232 P HA 0.090 nan 4.420 nan 0.000 0.240 232 P C 0.704 177.847 177.300 -0.262 0.000 1.190 232 P CA 0.419 63.390 63.100 -0.215 0.000 0.781 232 P CB 0.081 31.705 31.700 -0.127 0.000 0.931 233 N N -0.181 118.361 118.700 -0.263 0.000 2.356 233 N HA 0.003 4.743 4.740 -0.000 0.000 0.178 233 N C 1.193 176.523 175.510 -0.300 0.000 1.075 233 N CA 0.157 53.066 53.050 -0.235 0.000 0.889 233 N CB -0.655 37.735 38.487 -0.161 0.000 0.999 233 N HN -0.082 nan 8.380 nan 0.000 0.464 234 G N 2.262 110.801 108.800 -0.436 0.000 2.418 234 G HA2 0.081 4.041 3.960 -0.000 0.000 0.276 234 G HA3 0.081 4.041 3.960 -0.000 0.000 0.276 234 G C -1.125 173.507 174.900 -0.447 0.000 1.442 234 G CA -0.217 44.596 45.100 -0.478 0.000 1.066 234 G HN 0.170 nan 8.290 nan 0.000 0.553 235 P HA 0.039 nan 4.420 nan 0.000 0.235 235 P C 1.115 178.328 177.300 -0.145 0.000 1.177 235 P CA 1.061 63.998 63.100 -0.272 0.000 0.785 235 P CB 0.119 31.615 31.700 -0.341 0.000 0.885 236 W N -1.734 119.476 121.300 -0.150 0.000 2.868 236 W HA 0.607 5.267 4.660 -0.000 0.000 0.320 236 W C 0.657 177.262 176.519 0.142 0.000 1.076 236 W CA 0.331 57.669 57.345 -0.011 0.000 1.576 236 W CB -0.547 28.950 29.460 0.061 0.000 1.030 236 W HN -0.169 nan 8.180 nan 0.000 0.558 237 A N 1.966 124.526 122.820 -0.434 0.000 2.275 237 A HA 0.296 4.616 4.320 -0.000 0.000 0.212 237 A C 0.747 178.241 177.584 -0.150 0.000 1.201 237 A CA 1.312 53.230 52.037 -0.199 0.000 0.843 237 A CB -0.702 17.858 19.000 -0.733 0.000 0.873 237 A HN 0.199 nan 8.150 nan 0.000 0.492 238 T N -3.241 111.223 114.554 -0.152 0.000 2.853 238 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 238 T C -0.687 173.950 174.700 -0.104 0.000 1.307 238 T CA -0.079 61.926 62.100 -0.158 0.000 1.019 238 T CB 1.313 70.093 68.868 -0.148 0.000 1.264 238 T HN 1.002 nan 8.240 nan 0.000 0.497 239 V N -1.133 118.723 119.914 -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 -0.740 61.516 62.300 -0.073 0.000 1.022 239 V CB 1.435 33.209 31.823 -0.082 0.000 1.056 239 V HN 1.412 nan 8.190 nan 0.000 0.436 240 S N 1.379 117.051 115.700 -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 -0.015 58.166 58.200 -0.033 0.000 0.986 240 S CB 1.182 64.365 63.200 -0.028 0.000 0.985 240 S HN 1.866 nan 8.310 nan 0.000 0.562 241 A N 1.197 124.007 122.820 -0.016 0.000 1.851 241 A HA 0.114 4.434 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 1.875 53.907 52.037 -0.009 0.000 0.622 241 A CB -2.036 16.962 19.000 -0.003 0.000 0.831 241 A HN 1.181 nan 8.150 nan 0.000 0.444 242 G N -0.748 108.044 108.800 -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 46.316 45.100 -0.016 0.000 0.767 242 G HN 0.504 nan 8.290 nan 0.000 0.571 243 E N 0.553 120.734 120.200 -0.032 0.000 2.152 243 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 243 E C 2.958 179.524 176.600 -0.056 0.000 0.983 243 E CA 0.811 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 1.570 124.364 122.820 -0.043 0.000 1.851 244 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 244 A C 2.245 179.831 177.584 0.003 0.000 1.195 244 A CA 2.026 54.050 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 -0.595 119.902 120.500 -0.004 0.000 2.094 245 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 245 R C 2.473 178.771 176.300 -0.002 0.000 1.137 245 R CA 1.933 58.031 56.100 -0.003 0.000 0.943 245 R CB -0.396 29.899 30.300 -0.009 0.000 0.850 245 R HN 0.504 nan 8.270 nan 0.000 0.433 246 R N 0.583 121.075 120.500 -0.013 0.000 2.117 246 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 246 R C 1.899 178.193 176.300 -0.009 0.000 1.143 246 R CA 2.225 58.316 56.100 -0.014 0.000 0.968 246 R CB -0.089 30.198 30.300 -0.023 0.000 0.863 246 R HN 0.339 nan 8.270 nan 0.000 0.444 247 R N -0.643 119.843 120.500 -0.024 0.000 2.240 247 R HA 0.145 4.485 4.340 -0.000 0.000 0.203 247 R C 2.122 178.516 176.300 0.157 0.000 1.011 247 R CA 0.704 56.796 56.100 -0.013 0.000 1.007 247 R CB -0.074 30.086 30.300 -0.234 0.000 0.911 247 R HN 0.179 nan 8.270 nan 0.000 0.468 248 A N 1.307 124.212 122.820 0.141 0.000 1.826 248 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 248 A C 2.327 179.920 177.584 0.016 0.000 1.212 248 A CA 1.905 54.005 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 0.400 nan 8.150 nan 0.000 0.447 249 T N -1.078 113.473 114.554 -0.005 0.000 2.665 249 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 249 T C 1.801 176.497 174.700 -0.006 0.000 1.035 249 T CA 1.876 63.965 62.100 -0.018 0.000 1.151 249 T CB -0.749 68.110 68.868 -0.015 0.000 0.862 249 T HN 0.401 nan 8.240 nan 0.000 0.438 250 L N 0.984 122.215 121.223 0.013 0.000 2.012 250 L HA 0.123 4.462 4.340 -0.000 0.000 0.210 250 L C 2.459 179.337 176.870 0.014 0.000 1.073 250 L CA 1.841 56.688 54.840 0.013 0.000 0.748 250 L CB -1.197 40.875 42.059 0.022 0.000 0.891 250 L HN 0.393 nan 8.230 nan 0.000 0.431 251 L N -0.133 121.125 121.223 0.058 0.000 2.012 251 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 251 L C 2.556 179.405 176.870 -0.034 0.000 1.073 251 L CA 2.138 57.005 54.840 0.044 0.000 0.748 251 L CB -0.847 41.267 42.059 0.092 0.000 0.891 251 L HN 0.361 nan 8.230 nan 0.000 0.431 252 A N -0.265 122.528 122.820 -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 2.290 54.293 52.037 -0.056 0.000 0.629 252 A CB -0.895 18.070 19.000 -0.059 0.000 0.830 252 A HN 0.520 nan 8.150 nan 0.000 0.446 253 R N -0.663 119.809 120.500 -0.047 0.000 2.113 253 R HA -0.162 4.178 4.340 -0.000 0.000 0.244 253 R C 2.034 178.284 176.300 -0.083 0.000 1.142 253 R CA 1.885 57.955 56.100 -0.049 0.000 0.953 253 R CB -0.535 29.743 30.300 -0.037 0.000 0.860 253 R HN 0.587 nan 8.270 nan 0.000 0.438 254 L N -0.170 120.969 121.223 -0.141 0.000 2.353 254 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 254 L C 1.876 178.574 176.870 -0.288 0.000 1.133 254 L CA 0.521 55.184 54.840 -0.296 0.000 0.798 254 L CB -0.010 41.687 42.059 -0.604 0.000 0.922 254 L HN 0.110 nan 8.230 nan 0.000 0.445 255 V N -0.685 119.146 119.914 -0.138 0.000 3.578 255 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 255 V C 1.360 177.448 176.094 -0.010 0.000 1.376 255 V CA 0.889 63.170 62.300 -0.030 0.000 1.083 255 V CB 0.344 32.172 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 3.724 3.960 -0.000 0.000 0.242 256 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.242 256 G C 0.163 175.058 174.900 -0.009 0.000 0.982 256 G CA 0.057 45.151 45.100 -0.012 0.000 0.662 256 G HN 0.486 nan 8.290 nan 0.000 0.527 257 c N 2.981 121.572 118.600 -0.015 0.000 2.264 257 c HA 0.666 5.236 4.570 -0.000 0.000 0.324 257 c C -1.127 172.952 174.090 -0.018 0.000 1.267 257 c CA -1.433 54.890 56.329 -0.011 0.000 1.618 257 c CB 1.337 43.843 42.510 -0.007 0.000 2.278 257 c HN 0.460 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 -1.418 61.678 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 0.302 nan 4.420 nan 0.000 0.284 259 P C 0.431 177.730 177.300 -0.001 0.000 1.253 259 P CA 0.692 63.791 63.100 -0.001 0.000 0.800 259 P CB 0.464 32.165 31.700 0.002 0.000 0.961 260 G N 2.004 110.803 108.800 -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 0.299 175.197 174.900 -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 -0.003 108.796 108.800 -0.002 0.000 3.782 261 G HA2 0.723 4.683 3.960 -0.000 0.000 0.288 261 G HA3 0.723 4.683 3.960 -0.000 0.000 0.288 261 G C 0.727 175.626 174.900 -0.002 0.000 1.300 261 G CA 1.385 46.484 45.100 -0.002 0.000 1.261 261 G HN 1.698 nan 8.290 nan 0.000 0.591 262 A N -0.017 122.801 122.820 -0.003 0.000 2.495 262 A HA 0.970 5.290 4.320 -0.000 0.000 0.260 262 A C 0.970 178.552 177.584 -0.003 0.000 1.608 262 A CA 0.365 52.401 52.037 -0.002 0.000 0.834 262 A CB 0.137 19.135 19.000 -0.002 0.000 1.526 262 A HN 1.852 nan 8.150 nan 0.000 0.578 263 G N -4.632 104.166 108.800 -0.003 0.000 2.347 263 G HA2 0.489 4.448 3.960 -0.000 0.000 0.477 263 G HA3 0.489 4.448 3.960 -0.000 0.000 0.477 263 G C 0.754 175.652 174.900 -0.004 0.000 1.349 263 G CA 0.479 45.576 45.100 -0.004 0.000 1.000 263 G HN 2.459 nan 8.290 nan 0.000 0.605 264 G N -0.693 108.104 108.800 -0.005 0.000 2.225 264 G HA2 -0.184 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 1.148 46.245 45.100 -0.004 0.000 0.784 264 G HN 1.607 nan 8.290 nan 0.000 0.507 265 N N 0.097 118.795 118.700 -0.004 0.000 2.609 265 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 265 N C 0.486 175.994 175.510 -0.004 0.000 1.106 265 N CA -0.382 52.667 53.050 -0.001 0.000 0.823 265 N CB 1.112 39.600 38.487 0.001 0.000 1.263 265 N HN -0.018 nan 8.380 nan 0.000 0.533 266 D N 1.099 121.496 120.400 -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 1.569 55.562 54.000 -0.011 0.000 0.834 266 D CB 0.145 40.937 40.800 -0.014 0.000 0.955 266 D HN 0.538 nan 8.370 nan 0.000 0.465 267 T N 1.389 115.945 114.554 0.004 0.000 2.684 267 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 267 T C 1.800 176.509 174.700 0.015 0.000 1.036 267 T CA 1.236 63.344 62.100 0.013 0.000 1.148 267 T CB -0.311 68.566 68.868 0.014 0.000 0.863 267 T HN 0.333 nan 8.240 nan 0.000 0.436 268 E N 0.849 121.054 120.200 0.009 0.000 2.110 268 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 268 E C 2.261 178.867 176.600 0.010 0.000 0.988 268 E CA 0.676 57.083 56.400 0.010 0.000 0.804 268 E CB -0.332 29.371 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 -0.210 4.130 4.340 -0.000 0.000 0.211 269 L C 2.321 179.190 176.870 -0.002 0.000 1.071 269 L CA 1.170 56.005 54.840 -0.009 0.000 0.749 269 L CB -0.163 41.881 42.059 -0.025 0.000 0.890 269 L HN 0.169 nan 8.230 nan 0.000 0.431 270 I N -0.139 120.433 120.570 0.004 0.000 2.315 270 I HA -0.222 3.947 4.170 -0.000 0.000 0.248 270 I C 2.841 179.024 176.117 0.110 0.000 1.117 270 I CA 1.252 62.581 61.300 0.049 0.000 1.404 270 I CB -1.674 36.364 38.000 0.063 0.000 1.071 270 I HN 0.283 nan 8.210 nan 0.000 0.419 271 A N 0.852 123.711 122.820 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 -1.400 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 -0.082 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 57.629 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 0.157 121.429 121.223 0.081 0.000 2.127 273 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 273 L C 2.929 179.907 176.870 0.181 0.000 1.089 273 L CA 1.522 56.443 54.840 0.134 0.000 0.757 273 L CB -0.599 41.556 42.059 0.160 0.000 0.899 273 L HN 0.350 nan 8.230 nan 0.000 0.434 274 R N -0.815 119.783 120.500 0.164 0.000 2.285 274 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 274 R C 2.042 178.340 176.300 -0.002 0.000 1.068 274 R CA 1.496 57.622 56.100 0.044 0.000 1.004 274 R CB -0.064 30.253 30.300 0.027 0.000 0.873 274 R HN 0.466 nan 8.270 nan 0.000 0.467 275 T N -2.119 112.445 114.554 0.017 0.000 3.044 275 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 275 T C 0.619 175.319 174.700 -0.001 0.000 1.081 275 T CA -0.366 61.734 62.100 -0.001 0.000 1.040 275 T CB 0.253 69.124 68.868 0.005 0.000 0.962 275 T HN -0.059 nan 8.240 nan 0.000 0.506 276 R N 2.783 123.293 120.500 0.017 0.000 2.438 276 R HA 0.322 4.662 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 -2.084 54.026 56.100 0.017 0.000 1.034 276 R CB -0.308 30.015 30.300 0.038 0.000 0.993 276 R HN 0.290 nan 8.270 nan 0.000 0.459 277 P HA -0.098 nan 4.420 nan 0.000 0.263 277 P C 0.477 177.741 177.300 -0.061 0.000 1.175 277 P CA 0.353 63.420 63.100 -0.054 0.000 0.761 277 P CB 0.436 32.117 31.700 -0.033 0.000 0.794 278 A N 3.643 126.355 122.820 -0.180 0.000 1.896 278 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 278 A C 2.184 179.761 177.584 -0.011 0.000 1.206 278 A CA 2.390 54.316 52.037 -0.185 0.000 0.647 278 A CB -1.455 16.932 19.000 -1.021 0.000 0.828 278 A HN 0.555 nan 8.150 nan 0.000 0.455 279 Q N -0.210 119.547 119.800 -0.072 0.000 2.297 279 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 279 Q C 1.183 177.271 176.000 0.147 0.000 0.981 279 Q CA 1.960 57.901 55.803 0.230 0.000 0.876 279 Q CB -0.449 28.413 28.738 0.206 0.000 0.921 279 Q HN 0.672 nan 8.270 nan 0.000 0.446 280 D N -1.000 119.452 120.400 0.087 0.000 2.117 280 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 280 D C 1.330 177.689 176.300 0.099 0.000 0.987 280 D CA 0.784 54.837 54.000 0.088 0.000 0.829 280 D CB 0.012 40.860 40.800 0.081 0.000 0.961 280 D HN 0.216 nan 8.370 nan 0.000 0.460 281 L N 0.344 121.611 121.223 0.072 0.000 1.994 281 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 281 L C 2.519 179.383 176.870 -0.010 0.000 1.071 281 L CA 0.950 55.782 54.840 -0.013 0.000 0.745 281 L CB -1.292 40.650 42.059 -0.195 0.000 0.892 281 L HN 0.011 nan 8.230 nan 0.000 0.431 282 V N 0.067 120.043 119.914 0.103 0.000 2.453 282 V HA -0.300 3.819 4.120 -0.000 0.000 0.252 282 V C 2.267 178.397 176.094 0.059 0.000 1.068 282 V CA 1.660 64.045 62.300 0.142 0.000 1.070 282 V CB -0.598 31.427 31.823 0.335 0.000 0.664 282 V HN 0.403 nan 8.190 nan 0.000 0.461 283 D N -1.053 119.356 120.400 0.014 0.000 2.182 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 283 D C 1.885 177.938 176.300 -0.412 0.000 0.986 283 D CA 1.301 55.211 54.000 -0.149 0.000 0.847 283 D CB -0.173 40.516 40.800 -0.185 0.000 0.942 283 D HN 0.528 nan 8.370 nan 0.000 0.467 284 H N -0.097 118.893 119.070 -0.133 0.000 2.586 284 H HA 0.139 4.694 4.556 -0.000 0.000 0.273 284 H C 1.577 176.755 175.328 -0.250 0.000 0.997 284 H CA -0.080 55.803 56.048 -0.276 0.000 1.177 284 H CB 0.677 30.399 29.762 -0.066 0.000 1.471 284 H HN 0.292 nan 8.280 nan 0.000 0.538 285 E N 0.695 120.802 120.200 -0.156 0.000 2.095 285 E HA -0.237 4.112 4.350 -0.000 0.000 0.212 285 E C 0.859 177.263 176.600 -0.326 0.000 1.044 285 E CA 1.631 57.877 56.400 -0.258 0.000 0.857 285 E CB -0.056 29.280 29.700 -0.607 0.000 0.764 285 E HN 0.495 nan 8.360 nan 0.000 0.462 286 W N -0.639 120.635 121.300 -0.042 0.000 3.077 286 W HA -0.001 4.659 4.660 -0.000 0.000 0.245 286 W C 1.234 177.859 176.519 0.177 0.000 1.316 286 W CA 0.168 57.514 57.345 0.002 0.000 1.537 286 W CB 0.035 29.472 29.460 -0.039 0.000 1.131 286 W HN 0.253 nan 8.180 nan 0.000 0.695 287 H N -0.460 118.752 119.070 0.237 0.000 2.517 287 H HA 0.071 4.627 4.556 -0.000 0.000 0.282 287 H C 1.572 176.971 175.328 0.118 0.000 1.023 287 H CA 0.179 56.340 56.048 0.188 0.000 1.169 287 H CB 0.287 30.190 29.762 0.235 0.000 1.454 287 H HN 0.145 nan 8.280 nan 0.000 0.556 288 V N -2.112 117.911 119.914 0.182 0.000 3.528 288 V HA 0.217 4.337 4.120 -0.000 0.000 0.294 288 V C 0.516 176.616 176.094 0.010 0.000 1.404 288 V CA -0.263 62.080 62.300 0.071 0.000 1.065 288 V CB -0.206 31.635 31.823 0.030 0.000 0.904 288 V HN 0.136 nan 8.190 nan 0.000 0.435 289 L N 2.264 123.520 121.223 0.054 0.000 2.483 289 L HA 0.244 4.584 4.340 -0.000 0.000 0.276 289 L C -0.659 176.222 176.870 0.018 0.000 1.213 289 L CA -0.850 54.005 54.840 0.026 0.000 0.843 289 L CB 0.805 42.910 42.059 0.076 0.000 1.107 289 L HN 0.157 nan 8.230 nan 0.000 0.487 290 P HA 0.032 nan 4.420 nan 0.000 0.240 290 P C -0.527 176.772 177.300 -0.001 0.000 1.190 290 P CA 0.591 63.688 63.100 -0.005 0.000 0.781 290 P CB 0.702 32.392 31.700 -0.017 0.000 0.931 291 Q N -1.285 118.515 119.800 -0.001 0.000 2.511 291 Q HA 0.323 4.663 4.340 -0.000 0.000 0.289 291 Q C -0.735 175.263 176.000 -0.004 0.000 1.021 291 Q CA -0.738 55.062 55.803 -0.004 0.000 0.785 291 Q CB 1.434 30.165 28.738 -0.011 0.000 1.472 291 Q HN -0.081 nan 8.270 nan 0.000 0.411 292 E N 0.836 121.031 120.200 -0.008 0.000 2.384 292 E HA 0.417 4.767 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 0.231 56.623 56.400 -0.014 0.000 0.901 292 E CB 0.456 30.148 29.700 -0.014 0.000 0.967 292 E HN 0.631 nan 8.360 nan 0.000 0.435 293 S N 3.166 118.840 115.700 -0.043 0.000 2.656 293 S HA 0.564 5.034 4.470 -0.000 0.000 0.265 293 S C -0.746 173.802 174.600 -0.087 0.000 1.132 293 S CA -0.960 57.203 58.200 -0.060 0.000 0.819 293 S CB 0.348 63.511 63.200 -0.061 0.000 1.119 293 S HN 0.566 nan 8.310 nan 0.000 0.476 294 I N -3.279 117.234 120.570 -0.094 0.000 2.865 294 I HA 0.795 4.965 4.170 -0.000 0.000 0.302 294 I C -0.491 175.548 176.117 -0.131 0.000 1.140 294 I CA -1.184 60.060 61.300 -0.094 0.000 1.021 294 I CB 1.435 39.428 38.000 -0.013 0.000 1.233 294 I HN 0.785 nan 8.210 nan 0.000 0.427 295 F N 1.672 121.382 119.950 -0.400 0.000 3.027 295 F HA -0.204 4.322 4.527 -0.000 0.000 0.276 295 F C -0.070 175.210 175.800 -0.866 0.000 0.967 295 F CA 0.803 58.346 58.000 -0.763 0.000 0.929 295 F CB -0.741 37.722 39.000 -0.896 0.000 0.873 295 F HN 0.732 nan 8.300 nan 0.000 0.787 296 R N 0.780 120.753 120.500 -0.879 0.000 2.548 296 R HA 0.678 5.017 4.340 -0.000 0.000 0.280 296 R C -1.547 174.294 176.300 -0.764 0.000 1.061 296 R CA -0.402 55.335 56.100 -0.605 0.000 0.915 296 R CB 1.008 31.173 30.300 -0.225 0.000 1.210 296 R HN -0.023 nan 8.270 nan 0.000 0.442 297 F N 1.005 121.099 119.950 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 2.385 41.605 39.000 0.367 0.000 1.186 297 F HN 0.473 nan 8.300 nan 0.000 0.456 298 S N 0.648 116.382 115.700 0.058 0.000 2.355 298 S HA -0.015 4.455 4.470 -0.000 0.000 0.222 298 S C -0.041 174.136 174.600 -0.706 0.000 1.031 298 S CA 1.126 59.110 58.200 -0.360 0.000 0.993 298 S CB -0.211 62.705 63.200 -0.475 0.000 0.859 298 S HN 0.348 nan 8.310 nan 0.000 0.453 299 F N 1.465 121.419 119.950 0.007 0.000 2.460 299 F HA 0.612 5.139 4.527 -0.000 0.000 0.341 299 F C -0.099 175.689 175.800 -0.020 0.000 1.130 299 F CA -0.916 57.102 58.000 0.031 0.000 0.962 299 F CB 1.729 40.757 39.000 0.048 0.000 1.171 299 F HN -0.081 nan 8.300 nan 0.000 0.436 300 V N 0.848 120.673 119.914 -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 -3.027 58.769 62.300 -0.840 0.000 1.063 300 V CB 1.889 33.491 31.823 -0.368 0.000 1.103 300 V HN 0.280 nan 8.190 nan 0.000 0.451 301 P HA 0.152 nan 4.420 nan 0.000 0.264 301 P C -0.583 176.580 177.300 -0.229 0.000 1.179 301 P CA 0.518 63.333 63.100 -0.475 0.000 0.763 301 P CB 0.530 31.903 31.700 -0.545 0.000 0.806 302 V N 4.528 124.393 119.914 -0.082 0.000 2.715 302 V HA 0.260 4.380 4.120 -0.000 0.000 0.310 302 V C -0.326 175.755 176.094 -0.021 0.000 1.054 302 V CA -0.939 61.334 62.300 -0.045 0.000 0.928 302 V CB 2.306 34.130 31.823 0.001 0.000 1.007 302 V HN 0.143 nan 8.190 nan 0.000 0.437 303 V N 6.996 126.898 119.914 -0.020 0.000 2.287 303 V HA 0.170 4.290 4.120 -0.000 0.000 0.246 303 V C 0.687 176.793 176.094 0.019 0.000 1.165 303 V CA 0.298 62.601 62.300 0.004 0.000 1.088 303 V CB 0.033 31.850 31.823 -0.010 0.000 1.242 303 V HN 1.089 nan 8.190 nan 0.000 0.497 304 D N 2.477 122.902 120.400 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 0.906 54.933 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 0.031 174.964 174.900 0.054 0.000 1.035 305 G CA 0.532 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 -2.127 118.323 120.400 0.084 0.000 2.756 306 D HA 0.294 4.934 4.640 -0.000 0.000 0.148 306 D C 1.584 177.963 176.300 0.132 0.000 1.444 306 D CA 0.270 54.326 54.000 0.095 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 1.240 121.210 119.950 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 0.041 0.000 1.282 307 F CB 0.161 39.187 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 0.266 0.000 2.325 308 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 308 L C 1.217 178.137 176.870 0.083 0.000 1.004 308 L CA -0.385 54.545 54.840 0.150 0.000 0.823 308 L CB 1.713 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 0.165 115.895 115.700 0.050 0.000 2.453 309 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 309 S C 0.354 174.972 174.600 0.030 0.000 1.005 309 S CA 0.303 58.524 58.200 0.034 0.000 0.949 309 S CB 0.027 63.239 63.200 0.020 0.000 0.774 309 S HN 0.762 nan 8.310 nan 0.000 0.510 310 D N -0.083 120.337 120.400 0.032 0.000 2.713 310 D HA 0.217 4.857 4.640 -0.000 0.000 0.306 310 D C -1.239 175.073 176.300 0.019 0.000 1.299 310 D CA -0.341 53.672 54.000 0.022 0.000 0.823 310 D CB 1.247 42.059 40.800 0.019 0.000 1.353 310 D HN 0.061 nan 8.370 nan 0.000 0.447 311 T N 1.632 116.190 114.554 0.005 0.000 2.939 311 T HA 0.120 4.470 4.350 -0.000 0.000 0.319 311 T C -1.581 173.118 174.700 -0.002 0.000 1.082 311 T CA -0.752 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 1.492 178.782 177.300 -0.017 0.000 1.153 312 P CA 1.018 64.105 63.100 -0.022 0.000 0.858 312 P CB 0.191 31.847 31.700 -0.074 0.000 0.789 313 E N 0.004 120.182 120.200 -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 1.873 58.259 56.400 -0.023 0.000 0.824 313 E CB -1.255 28.427 29.700 -0.031 0.000 0.762 313 E HN 0.072 nan 8.360 nan 0.000 0.454 314 A N 0.379 123.207 122.820 0.013 0.000 1.927 314 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 314 A C 2.337 179.955 177.584 0.056 0.000 1.185 314 A CA 1.826 53.879 52.037 0.028 0.000 0.639 314 A CB -0.864 18.147 19.000 0.019 0.000 0.820 314 A HN 0.329 nan 8.150 nan 0.000 0.451 315 L N -0.442 120.823 121.223 0.070 0.000 2.005 315 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 315 L C 2.603 179.623 176.870 0.250 0.000 1.072 315 L CA 1.788 56.706 54.840 0.130 0.000 0.744 315 L CB -0.740 41.397 42.059 0.130 0.000 0.895 315 L HN 0.669 nan 8.230 nan 0.000 0.433 316 I N -2.316 118.374 120.570 0.199 0.000 2.756 316 I HA -0.199 3.971 4.170 -0.000 0.000 0.262 316 I C 2.173 178.448 176.117 0.264 0.000 1.225 316 I CA 1.474 62.916 61.300 0.237 0.000 1.472 316 I CB -0.675 37.319 38.000 -0.010 0.000 1.094 316 I HN 0.382 nan 8.210 nan 0.000 0.454 317 N N 1.849 120.643 118.700 0.157 0.000 2.250 317 N HA -0.152 4.588 4.740 -0.000 0.000 0.181 317 N C 1.610 177.185 175.510 0.108 0.000 1.017 317 N CA 1.876 54.993 53.050 0.112 0.000 0.866 317 N CB 0.065 38.590 38.487 0.063 0.000 0.985 317 N HN 0.551 nan 8.380 nan 0.000 0.429 318 T N -2.973 111.632 114.554 0.085 0.000 3.145 318 T HA 0.369 4.719 4.350 -0.000 0.000 0.281 318 T C 0.723 175.371 174.700 -0.086 0.000 1.003 318 T CA -0.426 61.682 62.100 0.013 0.000 0.901 318 T CB 0.222 69.090 68.868 -0.000 0.000 1.112 318 T HN 0.158 nan 8.240 nan 0.000 0.535 319 G N 0.540 109.258 108.800 -0.136 0.000 2.569 319 G HA2 0.366 4.326 3.960 -0.000 0.000 0.249 319 G HA3 0.366 4.326 3.960 -0.000 0.000 0.249 319 G C -0.878 173.407 174.900 -1.025 0.000 1.216 319 G CA -0.409 44.314 45.100 -0.629 0.000 0.845 319 G HN 0.329 nan 8.290 nan 0.000 0.568 320 D N 0.844 120.706 120.400 -0.896 0.000 2.443 320 D HA 0.243 4.883 4.640 -0.000 0.000 0.221 320 D C -0.490 175.417 176.300 -0.655 0.000 1.097 320 D CA -0.462 53.188 54.000 -0.582 0.000 0.865 320 D CB 0.547 41.182 40.800 -0.274 0.000 1.034 320 D HN 0.123 nan 8.370 nan 0.000 0.511 321 F N 1.637 121.605 119.950 0.030 0.000 2.850 321 F HA 0.190 4.717 4.527 -0.000 0.000 0.306 321 F C 1.511 177.335 175.800 0.040 0.000 1.162 321 F CA -0.552 57.471 58.000 0.039 0.000 1.327 321 F CB 0.035 39.067 39.000 0.053 0.000 0.953 321 F HN 0.281 nan 8.300 nan 0.000 0.507 322 Q N 2.986 122.841 119.800 0.090 0.000 3.107 322 Q HA 0.032 4.372 4.340 -0.000 0.000 0.268 322 Q C 0.082 176.123 176.000 0.068 0.000 1.382 322 Q CA 0.843 56.690 55.803 0.074 0.000 0.927 322 Q CB -0.373 28.379 28.738 0.024 0.000 1.755 322 Q HN 0.764 nan 8.270 nan 0.000 0.545 323 D N 0.167 120.624 120.400 0.095 0.000 3.877 323 D HA -0.149 4.491 4.640 -0.000 0.000 0.447 323 D C 0.085 176.443 176.300 0.096 0.000 0.389 323 D CA -0.340 53.704 54.000 0.074 0.000 0.865 323 D CB -1.067 39.759 40.800 0.042 0.000 1.491 323 D HN 0.353 nan 8.370 nan 0.000 0.192 324 L N 1.665 122.966 121.223 0.130 0.000 2.601 324 L HA 0.066 4.405 4.340 -0.000 0.000 0.277 324 L C -0.124 176.858 176.870 0.187 0.000 1.219 324 L CA 0.922 55.852 54.840 0.151 0.000 0.915 324 L CB 0.501 42.683 42.059 0.204 0.000 1.160 324 L HN 0.123 nan 8.230 nan 0.000 0.494 325 Q N 2.840 122.766 119.800 0.210 0.000 2.241 325 Q HA 0.573 4.913 4.340 -0.000 0.000 0.254 325 Q C -1.225 175.085 176.000 0.517 0.000 0.917 325 Q CA -0.285 55.725 55.803 0.346 0.000 0.919 325 Q CB 2.352 31.245 28.738 0.258 0.000 1.237 325 Q HN 0.412 nan 8.270 nan 0.000 0.434 326 V N 3.295 123.460 119.914 0.418 0.000 2.668 326 V HA 0.352 4.472 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 0.192 0.000 0.894 326 V CB 1.847 33.735 31.823 0.108 0.000 1.008 326 V HN 0.686 nan 8.190 nan 0.000 0.425 327 L N 5.484 126.347 121.223 -0.600 0.000 2.325 327 L HA 0.877 5.217 4.340 -0.000 0.000 0.279 327 L C -1.129 175.657 176.870 -0.140 0.000 1.054 327 L CA -0.245 54.232 54.840 -0.605 0.000 0.804 327 L CB 1.726 43.042 42.059 -1.238 0.000 1.200 327 L HN 0.522 nan 8.230 nan 0.000 0.436 328 V N 3.352 123.281 119.914 0.026 0.000 3.049 328 V HA 0.930 5.050 4.120 -0.000 0.000 0.309 328 V C 0.109 176.085 176.094 -0.198 0.000 1.148 328 V CA -0.132 62.163 62.300 -0.008 0.000 0.990 328 V CB 1.871 33.636 31.823 -0.098 0.000 1.039 328 V HN 1.012 nan 8.190 nan 0.000 0.430 329 G N 0.922 109.401 108.800 -0.534 0.000 2.490 329 G HA2 0.711 4.670 3.960 -0.000 0.000 0.308 329 G HA3 0.711 4.670 3.960 -0.000 0.000 0.308 329 G C -2.016 172.439 174.900 -0.742 0.000 1.286 329 G CA -0.208 43.966 45.100 -1.543 0.000 0.825 329 G HN 0.846 nan 8.290 nan 0.000 0.479 330 V N -1.118 118.465 119.914 -0.551 0.000 3.264 330 V HA 0.648 4.768 4.120 -0.000 0.000 0.294 330 V C -0.275 175.936 176.094 0.196 0.000 1.429 330 V CA -0.224 62.044 62.300 -0.052 0.000 1.053 330 V CB 1.993 33.754 31.823 -0.104 0.000 1.128 330 V HN 1.413 nan 8.190 nan 0.000 0.452 331 V N -0.034 120.024 119.914 0.240 0.000 3.193 331 V HA 0.594 4.714 4.120 -0.000 0.000 0.320 331 V C 1.167 177.420 176.094 0.266 0.000 1.112 331 V CA -0.354 62.147 62.300 0.335 0.000 1.026 331 V CB 1.336 33.347 31.823 0.314 0.000 1.128 331 V HN 0.828 nan 8.190 nan 0.000 0.452 332 K N 0.160 120.734 120.400 0.290 0.000 2.001 332 K HA -0.145 4.174 4.320 -0.000 0.000 0.214 332 K C 0.053 176.771 176.600 0.196 0.000 1.050 332 K CA 2.449 58.868 56.287 0.221 0.000 0.934 332 K CB -0.142 32.485 32.500 0.212 0.000 0.718 332 K HN 0.977 nan 8.250 nan 0.000 0.443 333 D N 0.699 121.223 120.400 0.205 0.000 2.634 333 D HA 0.070 4.710 4.640 -0.000 0.000 0.318 333 D C 0.348 176.776 176.300 0.214 0.000 1.226 333 D CA -0.201 53.916 54.000 0.194 0.000 0.899 333 D CB 1.191 42.103 40.800 0.186 0.000 1.025 333 D HN 0.049 nan 8.370 nan 0.000 0.501 334 E N 1.109 121.442 120.200 0.222 0.000 2.055 334 E HA -0.242 4.108 4.350 -0.000 0.000 0.209 334 E C 2.269 179.056 176.600 0.312 0.000 1.036 334 E CA 1.667 58.238 56.400 0.284 0.000 0.849 334 E CB -0.605 29.216 29.700 0.201 0.000 0.767 334 E HN 0.529 nan 8.360 nan 0.000 0.461 335 G N 1.428 110.345 108.800 0.194 0.000 2.485 335 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.221 335 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.221 335 G C 1.773 176.853 174.900 0.301 0.000 1.115 335 G CA 1.779 47.003 45.100 0.205 0.000 0.751 335 G HN 0.381 nan 8.290 nan 0.000 0.567 336 S N 0.405 116.260 115.700 0.258 0.000 2.377 336 S HA -0.340 4.130 4.470 -0.000 0.000 0.224 336 S C 2.062 176.738 174.600 0.126 0.000 1.042 336 S CA 1.553 59.891 58.200 0.229 0.000 1.086 336 S CB -0.997 62.273 63.200 0.118 0.000 0.995 336 S HN 0.501 nan 8.310 nan 0.000 0.428 337 Y N 2.573 122.772 120.300 -0.168 0.000 2.030 337 Y HA -0.287 4.263 4.550 -0.000 0.000 0.272 337 Y C 1.973 177.719 175.900 -0.257 0.000 1.185 337 Y CA 1.912 59.740 58.100 -0.454 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 -0.148 119.814 119.950 0.019 0.000 2.373 338 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 338 F C 2.043 177.819 175.800 -0.040 0.000 1.080 338 F CA 1.010 58.969 58.000 -0.069 0.000 1.417 338 F CB -0.715 38.244 39.000 -0.068 0.000 1.070 338 F HN 0.108 nan 8.300 nan 0.000 0.546 339 L N -0.319 120.963 121.223 0.099 0.000 2.156 339 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 339 L C 2.551 179.446 176.870 0.042 0.000 1.095 339 L CA 0.895 55.676 54.840 -0.098 0.000 0.770 339 L CB -0.907 40.863 42.059 -0.482 0.000 0.914 339 L HN 0.176 nan 8.230 nan 0.000 0.439 340 V N -3.516 116.494 119.914 0.159 0.000 2.490 340 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 340 V C 1.471 177.546 176.094 -0.031 0.000 1.061 340 V CA 1.211 63.609 62.300 0.163 0.000 1.064 340 V CB -1.264 30.666 31.823 0.179 0.000 0.670 340 V HN 0.296 nan 8.190 nan 0.000 0.461 341 Y N 2.490 122.733 120.300 -0.095 0.000 2.871 341 Y HA 0.558 5.108 4.550 -0.000 0.000 0.378 341 Y C 1.599 177.429 175.900 -0.116 0.000 1.069 341 Y CA 0.382 58.393 58.100 -0.148 0.000 1.662 341 Y CB -0.179 38.142 38.460 -0.232 0.000 1.561 341 Y HN 0.485 nan 8.280 nan 0.000 0.483 342 G N -1.442 107.370 108.800 0.020 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 -0.736 174.182 174.900 0.030 0.000 0.992 342 G CA -0.459 44.645 45.100 0.008 0.000 0.764 342 G HN 0.043 nan 8.290 nan 0.000 0.525 343 V N 3.030 122.987 119.914 0.071 0.000 2.311 343 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 343 V C -1.954 174.316 176.094 0.293 0.000 1.022 343 V CA -1.838 60.538 62.300 0.128 0.000 0.830 343 V CB 1.428 33.249 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 0.261 344 P C 1.064 178.433 177.300 0.115 0.000 1.173 344 P CA 1.466 64.638 63.100 0.120 0.000 0.760 344 P CB 0.534 32.271 31.700 0.061 0.000 0.783 345 G N 1.750 110.561 108.800 0.017 0.000 2.259 345 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G C -0.171 174.541 174.900 -0.314 0.000 1.001 345 G CA -0.581 44.402 45.100 -0.196 0.000 0.627 345 G HN 0.414 nan 8.290 nan 0.000 0.501 346 F N 1.777 121.728 119.950 0.002 0.000 2.399 346 F HA 0.745 5.271 4.527 -0.000 0.000 0.334 346 F C 0.724 176.614 175.800 0.151 0.000 1.097 346 F CA 0.076 58.104 58.000 0.045 0.000 1.076 346 F CB 2.160 41.216 39.000 0.092 0.000 1.162 346 F HN 0.330 nan 8.300 nan 0.000 0.495 347 S N 1.381 117.339 115.700 0.431 0.000 2.565 347 S HA 0.304 4.774 4.470 -0.000 0.000 0.269 347 S C -0.022 174.879 174.600 0.502 0.000 1.153 347 S CA -0.869 57.571 58.200 0.399 0.000 0.835 347 S CB 1.688 65.028 63.200 0.233 0.000 1.122 347 S HN 0.775 nan 8.310 nan 0.000 0.462 348 K N 0.576 121.138 120.400 0.270 0.000 2.418 348 K HA 0.154 4.474 4.320 -0.000 0.000 0.195 348 K C 0.110 176.695 176.600 -0.025 0.000 1.035 348 K CA 0.836 57.148 56.287 0.042 0.000 1.003 348 K CB -0.146 32.126 32.500 -0.380 0.000 0.793 348 K HN 0.484 nan 8.250 nan 0.000 0.494 349 D N 1.116 121.519 120.400 0.005 0.000 2.333 349 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 349 D C -0.039 176.302 176.300 0.068 0.000 0.984 349 D CA 0.488 54.478 54.000 -0.017 0.000 0.873 349 D CB 0.068 40.838 40.800 -0.050 0.000 0.935 349 D HN 0.467 nan 8.370 nan 0.000 0.521 350 N N -0.775 118.014 118.700 0.148 0.000 2.701 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.290 350 N C 0.329 175.964 175.510 0.207 0.000 1.338 350 N CA -0.613 52.509 53.050 0.120 0.000 0.799 350 N CB 0.742 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 -0.434 119.813 120.200 0.079 0.000 2.511 351 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 351 E C -0.515 175.824 176.600 -0.435 0.000 1.066 351 E CA 0.364 56.756 56.400 -0.014 0.000 0.871 351 E CB -0.357 29.338 29.700 -0.008 0.000 0.863 351 E HN 0.616 nan 8.360 nan 0.000 0.520 352 S N 0.841 116.319 115.700 -0.370 0.000 3.550 352 S HA -0.174 4.296 4.470 -0.000 0.000 0.372 352 S C 0.054 174.277 174.600 -0.628 0.000 0.966 352 S CA 0.094 57.937 58.200 -0.596 0.000 1.229 352 S CB -1.115 61.566 63.200 -0.864 0.000 0.917 352 S HN 0.159 nan 8.310 nan 0.000 0.496 353 L N 2.078 123.073 121.223 -0.381 0.000 2.401 353 L HA 0.414 4.754 4.340 -0.000 0.000 0.283 353 L C 0.848 177.545 176.870 -0.289 0.000 1.151 353 L CA -0.284 54.382 54.840 -0.289 0.000 0.942 353 L CB -0.927 41.028 42.059 -0.175 0.000 1.283 353 L HN 0.636 nan 8.230 nan 0.000 0.442 354 I N -0.335 120.015 120.570 -0.368 0.000 2.945 354 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 354 I C 1.020 177.053 176.117 -0.139 0.000 1.093 354 I CA -0.254 60.866 61.300 -0.300 0.000 1.336 354 I CB 0.988 38.746 38.000 -0.404 0.000 1.435 354 I HN 0.556 nan 8.210 nan 0.000 0.593 355 S N 3.896 119.543 115.700 -0.087 0.000 2.634 355 S HA 0.297 4.767 4.470 -0.000 0.000 0.261 355 S C 1.068 175.678 174.600 0.018 0.000 1.271 355 S CA -0.370 57.809 58.200 -0.035 0.000 0.985 355 S CB 1.312 64.499 63.200 -0.020 0.000 0.968 355 S HN 0.869 nan 8.310 nan 0.000 0.568 356 R N 0.388 120.901 120.500 0.022 0.000 2.057 356 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 356 R C 2.606 178.993 176.300 0.145 0.000 1.136 356 R CA 1.348 57.486 56.100 0.063 0.000 0.952 356 R CB -1.163 29.148 30.300 0.017 0.000 0.848 356 R HN 0.858 nan 8.270 nan 0.000 0.430 357 A N 1.022 123.895 122.820 0.090 0.000 1.948 357 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 357 A C 2.049 179.688 177.584 0.092 0.000 1.177 357 A CA 1.632 53.720 52.037 0.085 0.000 0.636 357 A CB -0.528 18.502 19.000 0.050 0.000 0.815 357 A HN 0.476 nan 8.150 nan 0.000 0.449 358 Q N -1.870 117.980 119.800 0.085 0.000 1.993 358 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 358 Q C 1.986 178.071 176.000 0.142 0.000 0.984 358 Q CA 1.705 57.559 55.803 0.084 0.000 0.837 358 Q CB -0.375 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 1.276 121.254 119.950 0.047 0.000 2.120 359 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 359 F C 1.713 177.547 175.800 0.058 0.000 1.095 359 F CA 1.032 59.077 58.000 0.074 0.000 1.249 359 F CB -0.106 38.923 39.000 0.048 0.000 0.995 359 F HN 0.035 nan 8.300 nan 0.000 0.480 360 L N 0.535 121.867 121.223 0.181 0.000 2.079 360 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 360 L C 2.767 179.602 176.870 -0.059 0.000 1.081 360 L CA 1.909 56.782 54.840 0.054 0.000 0.752 360 L CB -2.331 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 -0.524 122.284 122.820 -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 1.309 53.331 52.037 -0.026 0.000 0.628 361 A CB -1.086 17.921 19.000 0.010 0.000 0.816 361 A HN 0.410 nan 8.150 nan 0.000 0.444 362 G N -0.055 108.692 108.800 -0.090 0.000 2.491 362 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G C 1.527 176.307 174.900 -0.201 0.000 1.180 362 G CA 1.439 46.468 45.100 -0.118 0.000 0.774 362 G HN 0.324 nan 8.290 nan 0.000 0.562 363 V N 1.406 121.117 119.914 -0.338 0.000 2.370 363 V HA -0.231 3.889 4.120 -0.000 0.000 0.252 363 V C 2.979 178.989 176.094 -0.140 0.000 1.068 363 V CA 2.189 64.319 62.300 -0.283 0.000 1.061 363 V CB -0.413 31.214 31.823 -0.327 0.000 0.656 363 V HN 0.367 nan 8.190 nan 0.000 0.455 364 R N -0.612 119.827 120.500 -0.102 0.000 2.153 364 R HA 0.099 4.439 4.340 -0.000 0.000 0.218 364 R C 2.075 178.343 176.300 -0.054 0.000 1.072 364 R CA 1.084 57.149 56.100 -0.059 0.000 0.990 364 R CB -0.528 29.750 30.300 -0.036 0.000 0.889 364 R HN 0.455 nan 8.270 nan 0.000 0.452 365 I N 0.441 120.974 120.570 -0.062 0.000 2.277 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.243 365 I C 2.391 178.471 176.117 -0.061 0.000 1.094 365 I CA 1.395 62.663 61.300 -0.053 0.000 1.393 365 I CB -0.570 37.401 38.000 -0.048 0.000 1.078 365 I HN 0.200 nan 8.210 nan 0.000 0.417 366 G N 0.221 108.970 108.800 -0.084 0.000 2.470 366 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.220 366 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.220 366 G C 0.807 175.676 174.900 -0.052 0.000 1.121 366 G CA 0.580 45.628 45.100 -0.086 0.000 0.766 366 G HN 0.284 nan 8.290 nan 0.000 0.553 367 V N 1.456 121.337 119.914 -0.054 0.000 2.502 367 V HA 0.200 4.320 4.120 -0.000 0.000 0.261 367 V C -1.471 174.606 176.094 -0.029 0.000 0.996 367 V CA -0.979 61.289 62.300 -0.054 0.000 1.095 367 V CB 1.579 33.349 31.823 -0.087 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 1.333 178.627 177.300 -0.010 0.000 1.146 368 P CA 1.276 64.367 63.100 -0.016 0.000 0.808 368 P CB 0.391 32.081 31.700 -0.017 0.000 0.779 369 Q N -0.161 119.641 119.800 0.002 0.000 2.451 369 Q HA 0.114 4.454 4.340 -0.000 0.000 0.206 369 Q C 0.745 176.736 176.000 -0.015 0.000 0.947 369 Q CA 0.215 56.017 55.803 -0.002 0.000 0.937 369 Q CB -0.607 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 2.317 125.124 122.820 -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 0.299 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 1.919 117.602 115.700 -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 0.293 58.481 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 0.047 120.448 120.400 0.002 0.000 2.084 372 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 372 D C 1.958 178.273 176.300 0.026 0.000 0.985 372 D CA 0.941 54.950 54.000 0.015 0.000 0.826 372 D CB -0.483 40.329 40.800 0.019 0.000 0.978 372 D HN 0.358 nan 8.370 nan 0.000 0.456 373 L N 1.508 122.743 121.223 0.021 0.000 2.021 373 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 373 L C 2.328 179.220 176.870 0.036 0.000 1.074 373 L CA 1.906 56.766 54.840 0.033 0.000 0.760 373 L CB -1.036 41.036 42.059 0.022 0.000 0.889 373 L HN -0.024 nan 8.230 nan 0.000 0.433 374 A N -1.049 121.769 122.820 -0.003 0.000 1.902 374 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 374 A C 2.449 180.047 177.584 0.024 0.000 1.181 374 A CA 1.976 53.998 52.037 -0.025 0.000 0.623 374 A CB -1.112 17.836 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 -0.209 4.111 4.320 -0.000 0.000 0.217 375 A C 1.929 179.573 177.584 0.100 0.000 1.186 375 A CA 2.097 54.161 52.037 0.045 0.000 0.624 375 A CB -0.606 18.410 19.000 0.026 0.000 0.822 375 A HN 0.580 nan 8.150 nan 0.000 0.444 376 E N -0.299 119.963 120.200 0.104 0.000 2.049 376 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 376 E C 2.237 178.947 176.600 0.185 0.000 1.007 376 E CA 1.656 58.142 56.400 0.143 0.000 0.809 376 E CB -0.396 29.373 29.700 0.116 0.000 0.749 376 E HN 0.562 nan 8.360 nan 0.000 0.450 377 A N 0.043 122.974 122.820 0.184 0.000 1.884 377 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 377 A C 2.477 180.208 177.584 0.246 0.000 1.197 377 A CA 2.120 54.306 52.037 0.249 0.000 0.637 377 A CB -1.065 18.153 19.000 0.364 0.000 0.827 377 A HN 0.210 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 2.538 178.863 176.094 0.386 0.000 1.055 378 V CA 1.985 64.485 62.300 0.335 0.000 1.038 378 V CB -0.947 31.006 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 -0.247 3.872 4.120 -0.000 0.000 0.248 379 V C 2.315 178.641 176.094 0.387 0.000 1.055 379 V CA 1.889 64.430 62.300 0.401 0.000 1.049 379 V CB -0.556 31.479 31.823 0.355 0.000 0.662 379 V HN 0.501 nan 8.190 nan 0.000 0.455 380 L N -0.216 121.235 121.223 0.381 0.000 1.989 380 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 380 L C 2.575 179.643 176.870 0.329 0.000 1.071 380 L CA 2.681 57.808 54.840 0.478 0.000 0.749 380 L CB -0.590 41.616 42.059 0.245 0.000 0.890 380 L HN 0.454 nan 8.230 nan 0.000 0.431 381 H N -1.371 117.699 119.070 0.000 0.000 2.353 381 H HA -0.222 4.334 4.556 -0.000 0.000 0.300 381 H C 1.615 176.854 175.328 -0.148 0.000 1.090 381 H CA 2.473 58.372 56.048 -0.248 0.000 1.327 381 H CB -0.068 29.216 29.762 -0.797 0.000 1.383 381 H HN 0.445 nan 8.280 nan 0.000 0.508 382 Y N -0.675 119.739 120.300 0.189 0.000 2.462 382 Y HA 0.149 4.698 4.550 -0.000 0.000 0.261 382 Y C 0.804 176.716 175.900 0.021 0.000 1.146 382 Y CA 0.042 58.262 58.100 0.200 0.000 1.283 382 Y CB 0.450 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 1.216 115.720 114.554 -0.083 0.000 2.919 383 T HA -0.011 4.339 4.350 -0.000 0.000 0.302 383 T C -0.339 173.941 174.700 -0.699 0.000 1.031 383 T CA -0.216 61.529 62.100 -0.592 0.000 1.127 383 T CB 0.431 68.520 68.868 -1.298 0.000 0.952 383 T HN 0.095 nan 8.240 nan 0.000 0.540 384 D N 1.760 121.753 120.400 -0.679 0.000 2.428 384 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 384 D C 0.140 176.150 176.300 -0.485 0.000 1.123 384 D CA -0.853 52.798 54.000 -0.581 0.000 0.869 384 D CB 0.187 40.532 40.800 -0.758 0.000 1.032 384 D HN 0.590 nan 8.370 nan 0.000 0.506 385 W N 3.069 124.274 121.300 -0.158 0.000 2.632 385 W HA -0.018 4.642 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 -0.266 56.995 57.345 -0.140 0.000 1.288 385 W CB 0.040 29.432 29.460 -0.113 0.000 1.136 385 W HN 0.430 nan 8.180 nan 0.000 0.640 386 L N -0.401 120.751 121.223 -0.119 0.000 2.375 386 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 386 L C -0.219 176.268 176.870 -0.639 0.000 1.108 386 L CA 1.393 56.018 54.840 -0.359 0.000 0.830 386 L CB -0.187 41.617 42.059 -0.425 0.000 0.959 386 L HN 0.062 nan 8.230 nan 0.000 0.457 387 H N -0.570 118.417 119.070 -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 0.368 30.039 29.762 -0.152 0.000 1.701 387 H HN 0.011 nan 8.280 nan 0.000 0.515 388 P HA -0.089 nan 4.420 nan 0.000 0.244 388 P C 0.156 177.345 177.300 -0.185 0.000 1.211 388 P CA 0.901 63.845 63.100 -0.261 0.000 0.760 388 P CB 0.568 32.135 31.700 -0.221 0.000 0.961 389 E N -0.989 119.152 120.200 -0.098 0.000 2.676 389 E HA 0.043 4.393 4.350 -0.000 0.000 0.225 389 E C -0.072 176.494 176.600 -0.057 0.000 0.944 389 E CA -0.186 56.170 56.400 -0.072 0.000 1.156 389 E CB -0.035 29.643 29.700 -0.036 0.000 1.117 389 E HN 0.163 nan 8.360 nan 0.000 0.523 390 D N 4.109 124.482 120.400 -0.044 0.000 2.412 390 D HA -0.019 4.621 4.640 -0.000 0.000 0.257 390 D C -1.064 175.209 176.300 -0.046 0.000 1.217 390 D CA -1.418 52.556 54.000 -0.042 0.000 0.897 390 D CB 1.233 41.998 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 0.215 391 P C 1.290 178.542 177.300 -0.080 0.000 1.157 391 P CA 1.273 64.324 63.100 -0.082 0.000 0.868 391 P CB -0.015 31.628 31.700 -0.095 0.000 0.788 392 T N -1.124 113.393 114.554 -0.062 0.000 2.699 392 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 392 T C 1.837 176.524 174.700 -0.022 0.000 1.036 392 T CA 2.035 64.107 62.100 -0.047 0.000 1.147 392 T CB -1.056 67.798 68.868 -0.024 0.000 0.862 392 T HN 0.340 nan 8.240 nan 0.000 0.446 393 H N 0.585 119.608 119.070 -0.079 0.000 2.299 393 H HA 0.105 4.661 4.556 -0.000 0.000 0.302 393 H C 2.130 177.413 175.328 -0.074 0.000 1.078 393 H CA 1.257 57.264 56.048 -0.069 0.000 1.323 393 H CB -0.468 29.233 29.762 -0.102 0.000 1.381 393 H HN 0.208 nan 8.280 nan 0.000 0.498 394 L N 0.271 121.457 121.223 -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 1.893 56.643 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 0.355 nan 8.230 nan 0.000 0.434 395 R N 0.429 120.942 120.500 0.021 0.000 2.122 395 R HA -0.233 4.107 4.340 -0.000 0.000 0.236 395 R C 1.879 178.266 176.300 0.144 0.000 1.129 395 R CA 2.588 58.737 56.100 0.081 0.000 0.925 395 R CB -0.618 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 0.135 120.552 120.400 0.028 0.000 2.221 396 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 396 D C 1.696 178.027 176.300 0.053 0.000 0.982 396 D CA 1.324 55.354 54.000 0.049 0.000 0.857 396 D CB -0.276 40.517 40.800 -0.011 0.000 0.934 396 D HN 0.431 nan 8.370 nan 0.000 0.475 397 A N 0.777 123.596 122.820 -0.002 0.000 1.877 397 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 397 A C 2.120 179.860 177.584 0.261 0.000 1.186 397 A CA 1.252 53.389 52.037 0.167 0.000 0.620 397 A CB -0.425 18.665 19.000 0.150 0.000 0.822 397 A HN 0.054 nan 8.150 nan 0.000 0.443 398 M N 0.301 120.104 119.600 0.338 0.000 2.073 398 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 398 M C 2.476 178.776 176.300 0.000 0.000 1.070 398 M CA 2.142 57.520 55.300 0.130 0.000 1.103 398 M CB -1.287 31.425 32.600 0.188 0.000 1.321 398 M HN 0.524 nan 8.290 nan 0.000 0.405 399 S N -0.233 115.507 115.700 0.067 0.000 2.383 399 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 399 S C 1.975 176.620 174.600 0.076 0.000 1.030 399 S CA 1.790 60.041 58.200 0.084 0.000 1.002 399 S CB -0.307 63.014 63.200 0.202 0.000 0.829 399 S HN 0.530 nan 8.310 nan 0.000 0.467 400 A N 0.731 123.618 122.820 0.112 0.000 1.897 400 A HA 0.073 4.393 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 1.539 53.678 52.037 0.171 0.000 0.620 400 A CB -1.011 18.229 19.000 0.399 0.000 0.821 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.128 119.635 119.914 -0.251 0.000 2.282 401 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 401 V C 2.578 178.547 176.094 -0.209 0.000 1.057 401 V CA 2.199 64.277 62.300 -0.371 0.000 1.032 401 V CB -0.984 30.602 31.823 -0.395 0.000 0.645 401 V HN 0.377 nan 8.190 nan 0.000 0.447 402 V N 0.880 120.686 119.914 -0.179 0.000 2.261 402 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 402 V C 2.674 178.593 176.094 -0.292 0.000 1.047 402 V CA 2.295 64.465 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 -0.320 108.387 108.800 -0.156 0.000 2.422 403 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.218 403 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.218 403 G C 1.219 176.006 174.900 -0.189 0.000 1.146 403 G CA 1.059 46.079 45.100 -0.133 0.000 0.769 403 G HN 0.525 nan 8.290 nan 0.000 0.547 404 D N -0.390 119.920 120.400 -0.150 0.000 2.123 404 D HA -0.048 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 1.010 54.891 54.000 -0.198 0.000 0.831 404 D CB -0.418 40.433 40.800 0.084 0.000 0.974 404 D HN 0.366 nan 8.370 nan 0.000 0.469 405 H N 1.149 119.625 119.070 -0.990 0.000 2.353 405 H HA 0.013 4.569 4.556 -0.000 0.000 0.300 405 H C 1.497 176.353 175.328 -0.786 0.000 1.090 405 H CA 1.608 56.859 56.048 -1.328 0.000 1.327 405 H CB 0.106 29.074 29.762 -1.323 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.868 117.319 118.700 -0.856 0.000 2.439 406 N HA -0.004 4.736 4.740 -0.000 0.000 0.176 406 N C 1.583 176.796 175.510 -0.495 0.000 1.029 406 N CA 1.162 53.677 53.050 -0.893 0.000 0.886 406 N CB 0.794 38.166 38.487 -1.858 0.000 1.057 406 N HN 0.253 nan 8.380 nan 0.000 0.437 407 V N 0.214 119.881 119.914 -0.411 0.000 2.870 407 V HA 0.052 4.171 4.120 -0.000 0.000 0.232 407 V C 2.357 178.370 176.094 -0.135 0.000 1.161 407 V CA 0.328 62.535 62.300 -0.154 0.000 1.204 407 V CB -0.457 31.349 31.823 -0.030 0.000 1.003 407 V HN -0.143 nan 8.190 nan 0.000 0.499 408 V N 0.401 120.236 119.914 -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 2.642 64.879 62.300 -0.105 0.000 1.003 408 V CB -1.088 30.703 31.823 -0.054 0.000 0.634 408 V HN 0.666 nan 8.190 nan 0.000 0.444 409 c N 0.144 118.666 118.600 -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 1.284 57.567 56.329 -0.077 0.000 1.742 409 c CB -2.214 40.285 42.510 -0.018 0.000 2.017 409 c HN 0.497 nan 8.230 nan 0.000 0.481 410 P HA -0.058 nan 4.420 nan 0.000 0.217 410 P C 1.771 178.980 177.300 -0.152 0.000 1.150 410 P CA 1.280 64.276 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 0.452 120.278 119.914 -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 2.417 64.621 62.300 -0.159 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 -0.408 122.310 122.820 -0.169 0.000 1.933 412 A HA -0.297 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 2.139 54.076 52.037 -0.167 0.000 0.628 412 A CB -0.559 18.397 19.000 -0.074 0.000 0.814 412 A HN 0.579 nan 8.150 nan 0.000 0.444 413 Q N -0.519 119.235 119.800 -0.077 0.000 2.124 413 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 413 Q C 1.782 177.739 176.000 -0.070 0.000 0.977 413 Q CA 1.861 57.637 55.803 -0.045 0.000 0.850 413 Q CB -0.458 28.254 28.738 -0.042 0.000 0.901 413 Q HN 0.546 nan 8.270 nan 0.000 0.429 414 L N -0.148 121.004 121.223 -0.120 0.000 2.068 414 L HA 0.136 4.475 4.340 -0.000 0.000 0.204 414 L C 2.119 178.898 176.870 -0.152 0.000 1.076 414 L CA 1.828 56.585 54.840 -0.138 0.000 0.753 414 L CB -1.050 40.912 42.059 -0.160 0.000 0.910 414 L HN 0.233 nan 8.230 nan 0.000 0.439 415 A N -0.063 122.620 122.820 -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 2.178 54.014 52.037 -0.334 0.000 0.638 415 A CB -1.829 16.679 19.000 -0.821 0.000 0.831 415 A HN 0.540 nan 8.150 nan 0.000 0.450 416 G N -1.254 107.516 108.800 -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 0.960 46.181 45.100 0.203 0.000 0.771 416 G HN 0.372 nan 8.290 nan 0.000 0.551 417 R N -0.478 120.057 120.500 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 0.105 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 0.232 121.471 121.223 0.026 0.000 1.988 418 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 418 L C 2.421 179.376 176.870 0.142 0.000 1.071 418 L CA 2.040 56.898 54.840 0.031 0.000 0.744 418 L CB -1.366 40.636 42.059 -0.096 0.000 0.893 418 L HN 0.126 nan 8.230 nan 0.000 0.433 419 A N -0.554 122.346 122.820 0.134 0.000 1.869 419 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 419 A C 2.434 180.102 177.584 0.139 0.000 1.203 419 A CA 2.541 54.673 52.037 0.157 0.000 0.638 419 A CB -1.268 17.865 19.000 0.223 0.000 0.831 419 A HN 0.474 nan 8.150 nan 0.000 0.450 420 A N -1.740 121.162 122.820 0.137 0.000 2.032 420 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 420 A C 2.031 179.686 177.584 0.118 0.000 1.165 420 A CA 2.150 54.255 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 0.337 4.677 4.340 -0.000 0.000 0.202 421 Q C 1.152 177.240 176.000 0.147 0.000 0.915 421 Q CA 0.922 56.828 55.803 0.171 0.000 0.943 421 Q CB 0.447 29.367 28.738 0.304 0.000 1.064 421 Q HN 0.803 nan 8.270 nan 0.000 0.511 422 G N -1.323 107.566 108.800 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 0.258 175.243 174.900 0.142 0.000 1.015 422 G CA -0.350 44.821 45.100 0.120 0.000 0.743 422 G HN 0.484 nan 8.290 nan 0.000 0.476 423 A N 0.695 123.629 122.820 0.191 0.000 2.547 423 A HA 0.514 4.834 4.320 -0.000 0.000 0.233 423 A C 0.780 178.450 177.584 0.143 0.000 1.067 423 A CA 1.194 53.337 52.037 0.177 0.000 0.763 423 A CB 0.082 19.177 19.000 0.157 0.000 1.007 423 A HN 1.062 nan 8.150 nan 0.000 0.506 424 R N 1.718 122.315 120.500 0.162 0.000 2.215 424 R HA 0.525 4.865 4.340 -0.000 0.000 0.336 424 R C -1.509 174.905 176.300 0.190 0.000 0.996 424 R CA -0.325 55.867 56.100 0.154 0.000 0.847 424 R CB 0.561 30.984 30.300 0.206 0.000 1.127 424 R HN 0.451 nan 8.270 nan 0.000 0.465 425 V N 4.921 124.895 119.914 0.100 0.000 2.769 425 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 425 V C -1.005 175.128 176.094 0.064 0.000 1.058 425 V CA -0.712 61.667 62.300 0.132 0.000 0.952 425 V CB 1.645 33.538 31.823 0.118 0.000 1.019 425 V HN 0.636 nan 8.190 nan 0.000 0.445 426 Y N 0.821 121.171 120.300 0.083 0.000 2.545 426 Y HA 0.832 5.382 4.550 -0.000 0.000 0.348 426 Y C 0.228 176.368 175.900 0.400 0.000 1.002 426 Y CA -0.559 57.706 58.100 0.276 0.000 1.039 426 Y CB 2.286 40.638 38.460 -0.179 0.000 1.271 426 Y HN 0.818 nan 8.280 nan 0.000 0.467 427 A N 1.836 125.119 122.820 0.772 0.000 2.527 427 A HA 0.925 5.245 4.320 -0.000 0.000 0.293 427 A C -1.969 175.851 177.584 0.393 0.000 1.117 427 A CA -0.724 51.561 52.037 0.413 0.000 0.723 427 A CB 1.763 20.874 19.000 0.185 0.000 1.313 427 A HN 0.885 nan 8.150 nan 0.000 0.411 428 Y N -1.561 118.837 120.300 0.162 0.000 2.725 428 Y HA 0.799 5.349 4.550 -0.000 0.000 0.333 428 Y C -1.634 174.333 175.900 0.112 0.000 1.242 428 Y CA -1.490 56.639 58.100 0.049 0.000 1.059 428 Y CB 1.202 39.704 38.460 0.071 0.000 1.306 428 Y HN 0.406 nan 8.280 nan 0.000 0.454 429 I N 3.046 123.879 120.570 0.437 0.000 2.517 429 I HA 0.197 4.366 4.170 -0.000 0.000 0.280 429 I C -1.100 175.305 176.117 0.480 0.000 1.061 429 I CA -0.757 60.748 61.300 0.340 0.000 1.091 429 I CB 1.097 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 6.313 126.551 119.950 0.481 0.000 2.541 430 F HA 0.112 4.639 4.527 -0.000 0.000 0.378 430 F C 1.121 177.084 175.800 0.271 0.000 1.068 430 F CA 0.805 59.026 58.000 0.369 0.000 1.199 430 F CB 0.610 39.833 39.000 0.371 0.000 1.091 430 F HN 0.510 nan 8.300 nan 0.000 0.555 431 E N 2.803 123.010 120.200 0.012 0.000 2.601 431 E HA -0.027 4.323 4.350 -0.000 0.000 0.219 431 E C -0.728 175.896 176.600 0.041 0.000 0.964 431 E CA -0.203 56.251 56.400 0.091 0.000 1.050 431 E CB 0.232 29.977 29.700 0.076 0.000 1.068 431 E HN 0.494 nan 8.360 nan 0.000 0.496 432 H N 2.084 120.981 119.070 -0.289 0.000 2.604 432 H HA 0.201 4.757 4.556 -0.000 0.000 0.306 432 H C -0.342 175.079 175.328 0.155 0.000 1.075 432 H CA -0.586 55.371 56.048 -0.152 0.000 1.357 432 H CB 0.443 30.042 29.762 -0.273 0.000 1.426 432 H HN -0.127 nan 8.280 nan 0.000 0.470 433 R N 4.403 124.763 120.500 -0.233 0.000 2.216 433 R HA 0.479 4.819 4.340 -0.000 0.000 0.332 433 R C -0.516 175.579 176.300 -0.341 0.000 1.056 433 R CA -0.528 55.502 56.100 -0.117 0.000 0.901 433 R CB 0.215 30.536 30.300 0.035 0.000 1.039 433 R HN 0.775 nan 8.270 nan 0.000 0.456 434 A N 3.225 126.058 122.820 0.021 0.000 2.531 434 A HA 0.019 4.339 4.320 -0.000 0.000 0.236 434 A C 1.320 179.030 177.584 0.210 0.000 1.062 434 A CA 0.421 52.650 52.037 0.320 0.000 0.760 434 A CB 0.345 19.736 19.000 0.651 0.000 0.995 434 A HN 1.037 nan 8.150 nan 0.000 0.501 435 S N 1.127 117.000 115.700 0.289 0.000 2.402 435 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 435 S C 1.638 176.282 174.600 0.073 0.000 1.021 435 S CA 1.694 60.002 58.200 0.179 0.000 0.974 435 S CB -1.063 62.258 63.200 0.202 0.000 0.800 435 S HN 1.267 nan 8.310 nan 0.000 0.484 436 T N 0.061 114.624 114.554 0.014 0.000 3.035 436 T HA 0.163 4.513 4.350 -0.000 0.000 0.268 436 T C 0.888 175.563 174.700 -0.042 0.000 1.109 436 T CA -0.191 61.852 62.100 -0.095 0.000 1.119 436 T CB -0.688 67.994 68.868 -0.310 0.000 0.900 436 T HN 0.264 nan 8.240 nan 0.000 0.503 437 L N 4.167 125.413 121.223 0.039 0.000 2.678 437 L HA 0.015 4.355 4.340 -0.000 0.000 0.285 437 L C 1.277 178.152 176.870 0.008 0.000 1.233 437 L CA 1.256 56.124 54.840 0.047 0.000 0.920 437 L CB 0.005 42.107 42.059 0.072 0.000 1.176 437 L HN 0.541 nan 8.230 nan 0.000 0.495 438 T N 0.606 115.131 114.554 -0.047 0.000 3.086 438 T HA 0.044 4.394 4.350 -0.000 0.000 0.250 438 T C 0.390 175.141 174.700 0.086 0.000 1.074 438 T CA -0.425 61.641 62.100 -0.057 0.000 0.988 438 T CB -0.136 68.567 68.868 -0.275 0.000 0.988 438 T HN 0.468 nan 8.240 nan 0.000 0.530 439 W N 2.820 124.166 121.300 0.076 0.000 2.183 439 W HA 0.448 5.108 4.660 -0.000 0.000 0.348 439 W C -2.166 174.268 176.519 -0.141 0.000 1.257 439 W CA -2.278 55.068 57.345 0.001 0.000 1.324 439 W CB 0.061 29.460 29.460 -0.102 0.000 1.144 439 W HN -0.094 nan 8.180 nan 0.000 0.622 440 P HA -0.060 nan 4.420 nan 0.000 0.272 440 P C 0.799 178.034 177.300 -0.110 0.000 1.223 440 P CA -0.278 62.762 63.100 -0.101 0.000 0.784 440 P CB 0.791 32.374 31.700 -0.196 0.000 0.923 441 L N 2.442 123.675 121.223 0.017 0.000 2.043 441 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 441 L C 2.272 179.214 176.870 0.120 0.000 1.075 441 L CA 2.155 57.039 54.840 0.073 0.000 0.752 441 L CB -1.446 40.682 42.059 0.116 0.000 0.891 441 L HN 0.675 nan 8.230 nan 0.000 0.432 442 W N -0.052 121.306 121.300 0.096 0.000 2.336 442 W HA -0.257 4.403 4.660 -0.000 0.000 0.277 442 W C 1.659 178.244 176.519 0.110 0.000 1.211 442 W CA 0.736 58.141 57.345 0.100 0.000 1.187 442 W CB -1.032 28.489 29.460 0.102 0.000 1.132 442 W HN 0.210 nan 8.180 nan 0.000 0.562 443 M N 1.157 120.624 119.600 -0.221 0.000 2.556 443 M HA 0.189 4.669 4.480 -0.000 0.000 0.245 443 M C 1.953 178.243 176.300 -0.017 0.000 1.128 443 M CA 1.010 56.167 55.300 -0.238 0.000 1.069 443 M CB -0.513 31.704 32.600 -0.637 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 1.306 110.133 108.800 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 0.109 175.055 174.900 0.077 0.000 1.226 444 G CA 0.249 45.403 45.100 0.090 0.000 0.979 444 G HN 0.281 nan 8.290 nan 0.000 0.549 445 V N 4.094 124.087 119.914 0.132 0.000 2.257 445 V HA 0.444 4.564 4.120 -0.000 0.000 0.269 445 V C -1.820 174.386 176.094 0.187 0.000 1.040 445 V CA -0.886 61.527 62.300 0.189 0.000 0.813 445 V CB 1.395 33.394 31.823 0.293 0.000 1.065 445 V HN 0.433 nan 8.190 nan 0.000 0.457 446 P HA 0.114 nan 4.420 nan 0.000 0.272 446 P C -0.229 177.250 177.300 0.299 0.000 1.230 446 P CA -0.340 62.827 63.100 0.112 0.000 0.788 446 P CB 0.356 31.938 31.700 -0.197 0.000 0.949 447 H N 1.050 120.186 119.070 0.110 0.000 3.167 447 H HA 0.208 4.764 4.556 -0.000 0.000 0.306 447 H C 1.562 176.823 175.328 -0.111 0.000 0.965 447 H CA 2.269 58.337 56.048 0.032 0.000 1.408 447 H CB -0.668 29.133 29.762 0.065 0.000 1.406 447 H HN 0.732 nan 8.280 nan 0.000 0.576 448 G N 3.607 112.132 108.800 -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 0.420 175.085 174.900 -0.392 0.000 0.979 448 G CA 0.408 45.198 45.100 -0.516 0.000 0.641 448 G HN 0.657 nan 8.290 nan 0.000 0.530 449 Y N 1.472 121.782 120.300 0.017 0.000 2.547 449 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 449 Y C 2.138 178.001 175.900 -0.062 0.000 1.165 449 Y CA 0.757 58.920 58.100 0.105 0.000 1.300 449 Y CB 0.273 38.853 38.460 0.201 0.000 1.126 449 Y HN 0.568 nan 8.280 nan 0.000 0.513 450 E N -0.287 119.720 120.200 -0.321 0.000 2.340 450 E HA -0.043 4.306 4.350 -0.000 0.000 0.198 450 E C 1.601 178.034 176.600 -0.278 0.000 0.961 450 E CA 0.493 56.369 56.400 -0.874 0.000 0.905 450 E CB -0.230 28.835 29.700 -1.057 0.000 0.884 450 E HN 0.434 nan 8.360 nan 0.000 0.491 451 I N 2.192 122.687 120.570 -0.125 0.000 2.118 451 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 451 I C 2.278 178.373 176.117 -0.037 0.000 1.070 451 I CA 1.927 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 0.122 nan 8.210 nan 0.000 0.405 452 E N 1.364 121.485 120.200 -0.131 0.000 2.086 452 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 452 E C 2.187 178.494 176.600 -0.488 0.000 1.027 452 E CA 1.912 58.122 56.400 -0.317 0.000 0.830 452 E CB -0.579 28.891 29.700 -0.382 0.000 0.751 452 E HN 0.477 nan 8.360 nan 0.000 0.456 453 F N 1.161 120.994 119.950 -0.196 0.000 2.060 453 F HA -0.154 4.373 4.527 -0.000 0.000 0.295 453 F C 2.531 178.127 175.800 -0.340 0.000 1.120 453 F CA 0.743 58.568 58.000 -0.291 0.000 1.205 453 F CB -0.460 38.397 39.000 -0.239 0.000 0.986 453 F HN -0.061 nan 8.300 nan 0.000 0.470 454 I N -0.385 120.037 120.570 -0.246 0.000 2.145 454 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 454 I C 2.374 178.210 176.117 -0.469 0.000 1.075 454 I CA 1.949 62.931 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 0.108 nan 8.210 nan 0.000 0.410 455 F N 0.897 120.665 119.950 -0.303 0.000 2.365 455 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 455 F C 1.948 177.629 175.800 -0.198 0.000 1.090 455 F CA 1.273 59.133 58.000 -0.232 0.000 1.408 455 F CB -0.370 38.480 39.000 -0.250 0.000 1.060 455 F HN 0.340 nan 8.300 nan 0.000 0.534 456 G N -0.376 108.288 108.800 -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 0.789 175.171 174.900 -0.865 0.000 1.013 456 G CA 0.130 44.981 45.100 -0.414 0.000 0.705 456 G HN 0.236 nan 8.290 nan 0.000 0.508 457 L N 0.326 121.126 121.223 -0.704 0.000 2.187 457 L HA 0.062 4.402 4.340 -0.000 0.000 0.213 457 L C 0.418 176.890 176.870 -0.664 0.000 1.100 457 L CA 2.623 57.048 54.840 -0.691 0.000 0.765 457 L CB -0.888 40.989 42.059 -0.304 0.000 0.904 457 L HN 0.248 nan 8.230 nan 0.000 0.437 458 P HA -0.110 nan 4.420 nan 0.000 0.223 458 P C 1.782 178.892 177.300 -0.317 0.000 1.151 458 P CA 0.829 63.464 63.100 -0.774 0.000 0.787 458 P CB 0.067 31.120 31.700 -1.077 0.000 0.788 459 L N -0.819 120.152 121.223 -0.420 0.000 2.187 459 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 459 L C 1.111 177.910 176.870 -0.119 0.000 1.100 459 L CA 1.202 55.896 54.840 -0.244 0.000 0.765 459 L CB -1.210 40.708 42.059 -0.235 0.000 0.904 459 L HN -0.008 nan 8.230 nan 0.000 0.437 460 D N -0.326 119.972 120.400 -0.171 0.000 2.339 460 D HA 0.059 4.699 4.640 -0.000 0.000 0.256 460 D C -1.677 174.661 176.300 0.064 0.000 1.214 460 D CA -2.019 52.015 54.000 0.057 0.000 0.877 460 D CB 1.502 42.386 40.800 0.141 0.000 1.111 460 D HN -0.072 nan 8.370 nan 0.000 0.478 461 P HA -0.130 nan 4.420 nan 0.000 0.218 461 P C 1.437 178.767 177.300 0.050 0.000 1.149 461 P CA 1.024 64.161 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 -0.231 115.498 115.700 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 1.091 59.305 58.200 0.023 0.000 1.005 462 S CB -1.736 61.478 63.200 0.024 0.000 0.867 462 S HN 0.049 nan 8.310 nan 0.000 0.449 463 L N 2.321 123.552 121.223 0.013 0.000 2.189 463 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 463 L C 0.657 177.463 176.870 -0.107 0.000 1.097 463 L CA 1.294 56.114 54.840 -0.033 0.000 0.764 463 L CB -1.549 40.546 42.059 0.060 0.000 0.900 463 L HN 0.814 nan 8.230 nan 0.000 0.436 464 N N -2.702 115.990 118.700 -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 -1.680 36.789 38.487 -0.030 0.000 0.899 464 N HN 0.284 nan 8.380 nan 0.000 0.546 465 Y N 0.363 120.674 120.300 0.018 0.000 2.771 465 Y HA 0.634 5.184 4.550 -0.000 0.000 0.359 465 Y C 1.691 177.646 175.900 0.092 0.000 1.247 465 Y CA -0.066 58.078 58.100 0.073 0.000 1.324 465 Y CB 0.388 38.904 38.460 0.092 0.000 1.539 465 Y HN 0.488 nan 8.280 nan 0.000 0.698 466 T N -3.172 111.590 114.554 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 -0.347 61.880 62.100 0.210 0.000 1.042 466 T CB 1.321 70.298 68.868 0.182 0.000 1.055 466 T HN 0.607 nan 8.240 nan 0.000 0.500 467 T N 1.498 116.122 114.554 0.117 0.000 2.699 467 T HA -0.137 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 1.920 64.074 62.100 0.089 0.000 1.147 467 T CB -0.463 68.442 68.868 0.061 0.000 0.862 467 T HN 0.794 nan 8.240 nan 0.000 0.446 468 E N 1.545 121.793 120.200 0.080 0.000 2.038 468 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 468 E C 2.330 179.004 176.600 0.123 0.000 1.000 468 E CA 1.293 57.722 56.400 0.048 0.000 0.803 468 E CB -0.312 29.376 29.700 -0.020 0.000 0.750 468 E HN 0.612 nan 8.360 nan 0.000 0.448 469 E N 0.528 120.854 120.200 0.209 0.000 2.097 469 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 469 E C 2.224 178.997 176.600 0.287 0.000 1.000 469 E CA 1.056 57.698 56.400 0.403 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 1.118 121.710 120.500 0.153 0.000 2.080 470 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 470 R C 2.397 178.741 176.300 0.073 0.000 1.137 470 R CA 1.515 57.647 56.100 0.052 0.000 0.943 470 R CB -0.345 29.982 30.300 0.044 0.000 0.846 470 R HN 0.121 nan 8.270 nan 0.000 0.431 471 I N 0.676 121.306 120.570 0.100 0.000 2.163 471 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 471 I C 2.400 178.618 176.117 0.168 0.000 1.085 471 I CA 1.153 62.510 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 2.232 122.187 119.950 0.009 0.000 2.043 472 F HA -0.345 4.182 4.527 -0.000 0.000 0.297 472 F C 2.539 178.386 175.800 0.079 0.000 1.118 472 F CA 1.454 59.462 58.000 0.014 0.000 1.202 472 F CB -1.130 37.841 39.000 -0.048 0.000 0.965 472 F HN 0.086 nan 8.300 nan 0.000 0.482 473 A N 0.487 123.372 122.820 0.109 0.000 1.884 473 A HA -0.323 3.997 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 2.412 54.423 52.037 -0.044 0.000 0.637 473 A CB -1.196 17.749 19.000 -0.091 0.000 0.827 473 A HN 0.681 nan 8.150 nan 0.000 0.450 474 Q N -1.187 118.613 119.800 0.001 0.000 2.112 474 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 474 Q C 2.383 178.375 176.000 -0.013 0.000 0.987 474 Q CA 1.755 57.553 55.803 -0.008 0.000 0.858 474 Q CB -0.280 28.461 28.738 0.004 0.000 0.905 474 Q HN 0.702 nan 8.270 nan 0.000 0.420 475 R N 0.724 121.241 120.500 0.028 0.000 2.070 475 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 475 R C 2.313 178.573 176.300 -0.067 0.000 1.137 475 R CA 1.137 57.204 56.100 -0.054 0.000 0.945 475 R CB -0.214 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 0.339 121.679 121.223 0.195 0.000 2.012 476 L HA -0.250 4.089 4.340 -0.000 0.000 0.210 476 L C 2.614 179.661 176.870 0.295 0.000 1.073 476 L CA 1.705 56.775 54.840 0.383 0.000 0.748 476 L CB -0.348 41.744 42.059 0.055 0.000 0.891 476 L HN 0.301 nan 8.230 nan 0.000 0.431 477 M N -1.239 118.395 119.600 0.056 0.000 2.149 477 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 477 M C 2.224 178.572 176.300 0.081 0.000 1.064 477 M CA 1.441 56.751 55.300 0.018 0.000 1.102 477 M CB -0.584 31.988 32.600 -0.047 0.000 1.369 477 M HN 0.060 nan 8.290 nan 0.000 0.408 478 K N 0.402 120.812 120.400 0.016 0.000 2.057 478 K HA -0.125 4.195 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 58.011 56.287 -0.047 0.000 0.931 478 K CB -0.540 31.852 32.500 -0.181 0.000 0.714 478 K HN 0.393 nan 8.250 nan 0.000 0.440 479 Y N -0.656 119.747 120.300 0.171 0.000 2.145 479 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 479 Y C 2.515 178.403 175.900 -0.020 0.000 1.145 479 Y CA 0.975 59.120 58.100 0.075 0.000 1.148 479 Y CB -0.613 37.941 38.460 0.157 0.000 0.981 479 Y HN 0.179 nan 8.280 nan 0.000 0.507 480 W N 0.937 122.279 121.300 0.069 0.000 2.329 480 W HA -0.255 4.405 4.660 -0.000 0.000 0.324 480 W C 2.626 179.109 176.519 -0.060 0.000 1.222 480 W CA 2.751 60.075 57.345 -0.034 0.000 1.270 480 W CB -1.028 28.344 29.460 -0.146 0.000 1.167 480 W HN 0.217 nan 8.180 nan 0.000 0.467 481 T N -0.997 113.628 114.554 0.118 0.000 2.737 481 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 481 T C 1.501 176.189 174.700 -0.020 0.000 1.040 481 T CA 1.571 63.677 62.100 0.010 0.000 1.142 481 T CB -0.762 68.107 68.868 0.001 0.000 0.861 481 T HN -0.012 nan 8.240 nan 0.000 0.456 482 N N 0.748 119.444 118.700 -0.007 0.000 2.142 482 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 482 N C 1.465 176.918 175.510 -0.096 0.000 1.023 482 N CA 1.042 54.065 53.050 -0.045 0.000 0.852 482 N CB -0.552 37.920 38.487 -0.025 0.000 0.998 482 N HN 0.510 nan 8.380 nan 0.000 0.424 483 F N 1.684 121.482 119.950 -0.254 0.000 2.171 483 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 483 F C 2.109 177.782 175.800 -0.211 0.000 1.090 483 F CA 1.186 58.976 58.000 -0.349 0.000 1.293 483 F CB -0.391 38.282 39.000 -0.546 0.000 1.013 483 F HN 0.016 nan 8.300 nan 0.000 0.486 484 A N 2.117 124.814 122.820 -0.205 0.000 1.865 484 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 484 A C 2.444 179.888 177.584 -0.232 0.000 1.191 484 A CA 2.220 54.130 52.037 -0.211 0.000 0.623 484 A CB -0.814 18.136 19.000 -0.083 0.000 0.826 484 A HN 0.559 nan 8.150 nan 0.000 0.444 485 R N -0.712 119.688 120.500 -0.166 0.000 2.062 485 R HA -0.073 4.267 4.340 -0.000 0.000 0.226 485 R C 2.268 178.464 176.300 -0.173 0.000 1.125 485 R CA 2.053 58.070 56.100 -0.139 0.000 0.966 485 R CB -1.419 28.829 30.300 -0.086 0.000 0.861 485 R HN 0.582 nan 8.270 nan 0.000 0.433 486 T N -2.476 111.965 114.554 -0.188 0.000 2.866 486 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 486 T C 1.423 175.978 174.700 -0.242 0.000 1.033 486 T CA 1.027 63.024 62.100 -0.172 0.000 1.145 486 T CB -0.092 68.703 68.868 -0.122 0.000 0.866 486 T HN 0.562 nan 8.240 nan 0.000 0.434 487 G N 1.096 109.654 108.800 -0.403 0.000 2.237 487 G HA2 0.026 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 -0.520 174.268 174.900 -0.188 0.000 1.039 487 G CA 0.036 44.809 45.100 -0.545 0.000 0.719 487 G HN 0.862 nan 8.290 nan 0.000 0.491 488 D N -0.522 119.750 120.400 -0.213 0.000 2.688 488 D HA 0.321 4.961 4.640 -0.000 0.000 0.210 488 D C -1.984 174.128 176.300 -0.314 0.000 1.333 488 D CA -1.034 52.773 54.000 -0.322 0.000 0.920 488 D CB 2.018 42.770 40.800 -0.080 0.000 1.554 488 D HN -0.049 nan 8.370 nan 0.000 0.579 489 P HA -0.040 nan 4.420 nan 0.000 0.239 489 P C 0.080 177.379 177.300 -0.002 0.000 1.184 489 P CA 0.095 62.994 63.100 -0.335 0.000 0.760 489 P CB 0.292 31.485 31.700 -0.845 0.000 0.884 490 N N 1.060 119.756 118.700 -0.006 0.000 2.530 490 N HA 0.086 4.826 4.740 -0.000 0.000 0.273 490 N C 0.247 175.802 175.510 0.075 0.000 1.173 490 N CA 0.253 53.374 53.050 0.117 0.000 0.967 490 N CB 0.128 38.696 38.487 0.135 0.000 1.109 490 N HN 0.099 nan 8.380 nan 0.000 0.453 491 D N 2.942 123.399 120.400 0.094 0.000 2.662 491 D HA -0.026 4.614 4.640 -0.000 0.000 0.233 491 D C -1.289 175.033 176.300 0.036 0.000 1.129 491 D CA -0.788 53.239 54.000 0.046 0.000 0.851 491 D CB -0.428 40.402 40.800 0.051 0.000 1.152 491 D HN 0.264 nan 8.370 nan 0.000 0.507 492 P HA -0.328 nan 4.420 nan 0.000 0.241 492 P C 1.841 179.151 177.300 0.017 0.000 0.841 492 P CA 3.046 66.151 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 -1.022 119.487 120.500 0.015 0.000 2.146 493 R HA 0.162 4.502 4.340 -0.000 0.000 0.206 493 R C 1.692 178.007 176.300 0.025 0.000 1.049 493 R CA 1.725 57.836 56.100 0.019 0.000 1.029 493 R CB -1.826 28.481 30.300 0.013 0.000 0.949 493 R HN 0.581 nan 8.270 nan 0.000 0.471 494 D N 1.158 121.571 120.400 0.022 0.000 2.501 494 D HA 0.404 5.044 4.640 -0.000 0.000 0.268 494 D C 0.669 176.990 176.300 0.036 0.000 1.361 494 D CA 0.329 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 0.854 116.578 115.700 0.040 0.000 3.988 495 S HA 0.478 4.948 4.470 -0.000 0.000 0.180 495 S C 1.298 175.929 174.600 0.053 0.000 1.242 495 S CA 0.380 58.612 58.200 0.053 0.000 0.947 495 S CB -0.961 62.268 63.200 0.049 0.000 1.519 495 S HN 1.048 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 0.632 4.952 4.320 -0.000 0.000 0.238 496 K C 1.281 177.920 176.600 0.064 0.000 1.149 496 K CA 0.809 57.126 56.287 0.051 0.000 1.105 496 K CB -2.059 30.466 32.500 0.042 0.000 1.246 496 K HN 2.099 nan 8.250 nan 0.000 0.307 497 S N 1.276 117.010 115.700 0.057 0.000 4.116 497 S HA -0.157 4.313 4.470 -0.000 0.000 0.623 497 S C -1.254 173.393 174.600 0.079 0.000 1.933 497 S CA 0.912 59.148 58.200 0.059 0.000 4.224 497 S CB -2.541 60.688 63.200 0.048 0.000 0.208 497 S HN 0.766 nan 8.310 nan 0.000 0.527 498 P HA 0.524 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 0.264 63.427 63.100 0.105 0.000 0.763 498 P CB 0.843 32.599 31.700 0.094 0.000 0.810 499 Q N 1.435 121.326 119.800 0.151 0.000 2.257 499 Q HA 0.521 4.861 4.340 -0.000 0.000 0.262 499 Q C -1.635 174.534 176.000 0.281 0.000 0.997 499 Q CA -0.451 55.479 55.803 0.212 0.000 0.873 499 Q CB 1.011 29.849 28.738 0.167 0.000 1.312 499 Q HN 0.465 nan 8.270 nan 0.000 0.450 500 W N 6.550 127.935 121.300 0.143 0.000 2.278 500 W HA 0.493 5.153 4.660 -0.000 0.000 0.317 500 W C -2.739 173.902 176.519 0.203 0.000 1.030 500 W CA -2.699 54.742 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 0.476 nan 8.180 nan 0.000 0.405 501 P HA 0.299 nan 4.420 nan 0.000 0.286 501 P C -2.628 174.757 177.300 0.142 0.000 1.261 501 P CA -1.849 61.398 63.100 0.245 0.000 0.821 501 P CB 0.975 32.740 31.700 0.108 0.000 1.013 502 P HA 0.000 nan 4.420 nan 0.000 0.265 502 P C -0.431 176.822 177.300 -0.078 0.000 1.193 502 P CA 0.207 63.048 63.100 -0.433 0.000 0.765 502 P CB -0.062 31.417 31.700 -0.368 0.000 0.823 503 Y N 3.756 124.003 120.300 -0.088 0.000 2.526 503 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 503 Y C 0.157 176.052 175.900 -0.008 0.000 1.156 503 Y CA 0.718 58.830 58.100 0.019 0.000 1.419 503 Y CB 0.210 38.715 38.460 0.075 0.000 1.250 503 Y HN 0.379 nan 8.280 nan 0.000 0.540 504 T N 1.619 115.916 114.554 -0.429 0.000 2.900 504 T HA 0.258 4.608 4.350 -0.000 0.000 0.295 504 T C 0.882 175.365 174.700 -0.362 0.000 1.044 504 T CA -0.312 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 1.417 115.913 114.554 -0.097 0.000 2.607 505 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 505 T C 2.362 177.006 174.700 -0.093 0.000 1.049 505 T CA 1.416 63.492 62.100 -0.039 0.000 1.162 505 T CB -0.949 67.938 68.868 0.032 0.000 0.863 505 T HN 0.836 nan 8.240 nan 0.000 0.424 506 A N 1.955 124.730 122.820 -0.076 0.000 1.845 506 A HA 0.228 4.548 4.320 -0.000 0.000 0.215 506 A C 2.727 180.254 177.584 -0.095 0.000 1.195 506 A CA 2.177 54.176 52.037 -0.063 0.000 0.616 506 A CB -1.329 17.646 19.000 -0.042 0.000 0.832 506 A HN 0.657 nan 8.150 nan 0.000 0.443 507 A N -2.402 120.339 122.820 -0.132 0.000 2.021 507 A HA 0.171 4.491 4.320 -0.000 0.000 0.216 507 A C 0.998 178.466 177.584 -0.193 0.000 1.163 507 A CA 0.982 52.940 52.037 -0.131 0.000 0.676 507 A CB -0.319 18.618 19.000 -0.106 0.000 0.818 507 A HN 0.608 nan 8.150 nan 0.000 0.453 508 Q N -0.216 119.346 119.800 -0.396 0.000 2.460 508 Q HA -0.179 4.161 4.340 -0.000 0.000 0.311 508 Q C -0.982 174.861 176.000 -0.261 0.000 1.396 508 Q CA 0.593 56.033 55.803 -0.605 0.000 0.838 508 Q CB -1.639 26.985 28.738 -0.191 0.000 1.140 508 Q HN 0.854 nan 8.270 nan 0.000 0.415 509 Q N 0.615 120.270 119.800 -0.242 0.000 2.243 509 Q HA 0.568 4.907 4.340 -0.000 0.000 0.252 509 Q C -0.337 175.789 176.000 0.210 0.000 0.909 509 Q CA -0.176 55.607 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 -1.627 118.703 120.300 0.051 0.000 2.625 510 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 510 Y C -1.224 174.572 175.900 -0.173 0.000 1.123 510 Y CA -1.422 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 0.371 nan 8.280 nan 0.000 0.464 511 V N -0.619 119.171 119.914 -0.207 0.000 2.864 511 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 511 V C -0.209 175.804 176.094 -0.135 0.000 1.073 511 V CA -0.543 61.533 62.300 -0.373 0.000 0.956 511 V CB 1.341 32.658 31.823 -0.843 0.000 1.023 511 V HN 1.111 nan 8.190 nan 0.000 0.435 512 S N 4.323 119.953 115.700 -0.117 0.000 2.400 512 S HA 0.398 4.868 4.470 -0.000 0.000 0.295 512 S C -0.239 174.329 174.600 -0.053 0.000 1.113 512 S CA -0.573 57.620 58.200 -0.012 0.000 1.064 512 S CB -0.136 63.055 63.200 -0.016 0.000 0.990 512 S HN 0.689 nan 8.310 nan 0.000 0.502 513 L N 5.784 127.017 121.223 0.018 0.000 2.363 513 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 513 L C 0.294 177.134 176.870 -0.050 0.000 1.106 513 L CA 0.370 55.239 54.840 0.048 0.000 0.859 513 L CB -0.849 41.308 42.059 0.164 0.000 1.223 513 L HN 0.996 nan 8.230 nan 0.000 0.446 514 N N 1.849 120.428 118.700 -0.201 0.000 3.179 514 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 514 N C 0.671 175.616 175.510 -0.942 0.000 1.507 514 N CA -0.830 51.862 53.050 -0.595 0.000 0.883 514 N CB 0.533 38.828 38.487 -0.320 0.000 1.435 514 N HN 0.184 nan 8.380 nan 0.000 0.532 515 L N -1.060 119.496 121.223 -1.111 0.000 2.034 515 L HA -0.169 4.171 4.340 -0.000 0.000 0.217 515 L C 0.449 177.056 176.870 -0.438 0.000 1.077 515 L CA 1.576 55.909 54.840 -0.844 0.000 0.769 515 L CB -0.728 40.950 42.059 -0.635 0.000 0.890 515 L HN 0.564 nan 8.230 nan 0.000 0.435 516 K N -0.164 120.055 120.400 -0.301 0.000 2.237 516 K HA 0.212 4.532 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 -1.969 54.217 56.287 -0.169 0.000 0.949 516 K CB -0.105 32.322 32.500 -0.121 0.000 0.976 516 K HN -0.157 nan 8.250 nan 0.000 0.472 517 P HA -0.080 nan 4.420 nan 0.000 0.270 517 P C -0.007 177.290 177.300 -0.006 0.000 1.221 517 P CA -0.140 62.956 63.100 -0.007 0.000 0.788 517 P CB 0.379 32.086 31.700 0.011 0.000 0.904 518 L N 1.310 122.561 121.223 0.047 0.000 2.605 518 L HA -0.134 4.206 4.340 -0.000 0.000 0.296 518 L C 1.130 177.975 176.870 -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 3.285 123.428 120.200 -0.094 0.000 3.117 519 E HA 0.193 4.543 4.350 -0.000 0.000 0.262 519 E C -0.958 175.548 176.600 -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 3.077 122.893 119.914 -0.164 0.000 2.752 520 V HA -0.056 4.064 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 0.931 63.092 62.300 -0.231 0.000 1.240 520 V CB 0.068 31.799 31.823 -0.154 0.000 0.887 520 V HN 0.561 nan 8.190 nan 0.000 0.499 521 R N 3.754 123.941 120.500 -0.523 0.000 2.867 521 R HA 0.751 5.091 4.340 -0.000 0.000 0.268 521 R C -0.929 175.034 176.300 -0.563 0.000 1.014 521 R CA -1.082 54.656 56.100 -0.604 0.000 0.946 521 R CB 2.293 32.087 30.300 -0.844 0.000 1.208 521 R HN 0.657 nan 8.270 nan 0.000 0.477 522 R N 0.085 120.431 120.500 -0.255 0.000 2.599 522 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 522 R C -0.667 175.730 176.300 0.162 0.000 0.963 522 R CA -0.775 55.297 56.100 -0.047 0.000 0.883 522 R CB 2.098 32.372 30.300 -0.043 0.000 1.171 522 R HN 0.851 nan 8.270 nan 0.000 0.450 523 G N 2.483 111.445 108.800 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 0.389 0.000 0.909 523 G CA -0.832 44.444 45.100 0.295 0.000 0.740 523 G HN 0.517 nan 8.290 nan 0.000 0.441 524 L N 4.328 125.703 121.223 0.254 0.000 2.295 524 L HA 0.351 4.691 4.340 -0.000 0.000 0.288 524 L C 1.597 178.505 176.870 0.064 0.000 1.079 524 L CA -0.856 53.968 54.840 -0.027 0.000 0.830 524 L CB 0.301 42.268 42.059 -0.153 0.000 1.200 524 L HN 0.792 nan 8.230 nan 0.000 0.438 525 R N 2.639 123.194 120.500 0.091 0.000 3.358 525 R HA -0.300 4.040 4.340 -0.000 0.000 0.248 525 R C 1.338 177.736 176.300 0.163 0.000 0.981 525 R CA 0.583 56.767 56.100 0.140 0.000 0.662 525 R CB -1.918 28.469 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 2.153 54.282 52.037 0.152 0.000 0.658 526 A CB -0.238 18.844 19.000 0.137 0.000 0.831 526 A HN 0.492 nan 8.150 nan 0.000 0.462 527 Q N -1.193 118.699 119.800 0.154 0.000 1.965 527 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 527 Q C 2.366 178.490 176.000 0.207 0.000 0.981 527 Q CA 2.275 58.175 55.803 0.162 0.000 0.834 527 Q CB -0.897 27.934 28.738 0.155 0.000 0.900 527 Q HN 0.672 nan 8.270 nan 0.000 0.426 528 T N -0.218 114.482 114.554 0.244 0.000 2.653 528 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 528 T C 1.878 176.795 174.700 0.362 0.000 1.035 528 T CA 1.564 63.815 62.100 0.251 0.000 1.154 528 T CB -0.642 68.436 68.868 0.349 0.000 0.862 528 T HN 0.380 nan 8.240 nan 0.000 0.441 529 c N 1.306 120.099 118.600 0.321 0.000 2.456 529 c HA 0.337 4.907 4.570 -0.000 0.000 0.279 529 c C 3.088 177.326 174.090 0.247 0.000 1.427 529 c CA -0.203 56.313 56.329 0.312 0.000 1.778 529 c CB -1.553 41.075 42.510 0.196 0.000 1.842 529 c HN 0.653 nan 8.230 nan 0.000 0.531 530 A N 0.285 123.233 122.820 0.213 0.000 1.929 530 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 530 A C 1.813 179.521 177.584 0.206 0.000 1.176 530 A CA 1.023 53.167 52.037 0.178 0.000 0.628 530 A CB -0.694 18.396 19.000 0.149 0.000 0.816 530 A HN 0.470 nan 8.150 nan 0.000 0.444 531 F N -0.271 119.687 119.950 0.014 0.000 2.043 531 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 531 F C 1.931 177.700 175.800 -0.052 0.000 1.121 531 F CA 1.626 59.568 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 0.401 nan 8.300 nan 0.000 0.478 532 W N 0.742 121.881 121.300 -0.268 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 1.172 58.311 57.345 -0.344 0.000 1.304 532 W CB -0.795 28.594 29.460 -0.118 0.000 1.148 532 W HN -0.013 nan 8.180 nan 0.000 0.494 533 N N -0.074 118.738 118.700 0.186 0.000 2.354 533 N HA -0.035 4.704 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 54.193 53.050 0.101 0.000 0.887 533 N CB -0.411 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 -0.909 119.645 120.500 0.090 0.000 2.102 534 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 534 R C 1.636 178.013 176.300 0.128 0.000 1.131 534 R CA 0.160 56.322 56.100 0.103 0.000 1.054 534 R CB -0.446 29.931 30.300 0.128 0.000 0.954 534 R HN 0.118 nan 8.270 nan 0.000 0.465 535 F N 2.071 122.002 119.950 -0.031 0.000 2.147 535 F HA 0.061 4.588 4.527 -0.000 0.000 0.291 535 F C 2.094 177.832 175.800 -0.103 0.000 1.093 535 F CA 0.717 58.697 58.000 -0.033 0.000 1.263 535 F CB -0.601 38.426 39.000 0.045 0.000 1.036 535 F HN -0.142 nan 8.300 nan 0.000 0.481 536 L N 0.826 121.720 121.223 -0.548 0.000 2.010 536 L HA -0.244 4.096 4.340 -0.000 0.000 0.219 536 L C -0.441 176.160 176.870 -0.449 0.000 1.077 536 L CA 2.553 56.966 54.840 -0.711 0.000 0.773 536 L CB -1.924 39.644 42.059 -0.819 0.000 0.892 536 L HN 0.132 nan 8.230 nan 0.000 0.436 537 P HA -0.213 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 1.663 64.671 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 -0.358 119.937 120.400 -0.175 0.000 2.211 538 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 538 K C 2.198 178.677 176.600 -0.202 0.000 1.047 538 K CA 1.173 57.380 56.287 -0.133 0.000 0.935 538 K CB -1.401 31.072 32.500 -0.045 0.000 0.728 538 K HN 0.250 nan 8.250 nan 0.000 0.452 539 L N 1.054 122.033 121.223 -0.406 0.000 2.027 539 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 539 L C 2.546 179.295 176.870 -0.203 0.000 1.074 539 L CA 1.023 55.642 54.840 -0.369 0.000 0.745 539 L CB -0.247 41.493 42.059 -0.531 0.000 0.898 539 L HN 0.132 nan 8.230 nan 0.000 0.433 540 L N -0.653 120.449 121.223 -0.202 0.000 2.046 540 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 540 L C 2.552 179.372 176.870 -0.084 0.000 1.077 540 L CA 1.538 56.304 54.840 -0.122 0.000 0.747 540 L CB -0.483 41.510 42.059 -0.110 0.000 0.896 540 L HN 0.367 nan 8.230 nan 0.000 0.432 541 S N -0.774 114.876 115.700 -0.083 0.000 2.607 541 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 541 S C 1.657 176.231 174.600 -0.044 0.000 0.969 541 S CA 0.482 58.650 58.200 -0.054 0.000 0.927 541 S CB 0.089 63.262 63.200 -0.045 0.000 0.772 541 S HN 0.359 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 0.281 4.601 4.320 -0.000 0.000 0.210 542 A C 1.578 179.145 177.584 -0.028 0.000 1.200 542 A CA 0.796 52.813 52.037 -0.033 0.000 0.707 542 A CB -0.787 18.195 19.000 -0.030 0.000 0.862 542 A HN 0.592 nan 8.150 nan 0.000 0.461 543 T N 0.000 114.531 114.554 -0.038 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658