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 3djl_1_A DATA FIRST_RESID 3 DATA SEQUENCE WQTHTVFNQP IPLNNSNLYL SDGALcEAVT REGAGWDSDF LASIGQQLGT DATA SEQUENCE AESLELGRLA NVNPPELLRY DAQGRRLDDV RFHPAWHLLM QALCTNRVHN DATA SEQUENCE LAWEEDARSG AFVARAARFM LHAQVEAGSL CPITMTFAAT PLLLQMLPAP DATA SEQUENCE FQDWTTPLLS DRYDSHLLPG GQKRGLLIGM GMTEKQGGSD VMSNTTRAER DATA SEQUENCE LEDGSYRLVG HKWFFSVPQS DAHLVLAQTA GGLSCFFVPR FLPDGQRNAI DATA SEQUENCE RLERLKDKLG NRSNASCEVE FQDAIGWLLG LEGEGIRLIL KMGGMTRFDC DATA SEQUENCE ALGSHAMMRR AFSLAIYHAH QRHVFGNPLI QQPLMRHVLS RMALQLEGQT DATA SEQUENCE ALLFRLARAW DRRADAKEAL WARLFTPAAK FVICKRGMPF VAEAMEVLGG DATA SEQUENCE IGYCEESELP RLYREMPVNS IWEGSGNIMC LDVLRVLNKQ AGVYDLLSEA DATA SEQUENCE FVEVKGQDRY FDRAVRRLQQ QLRKPAEELG REITHQLFLL GCGAQMLKYA DATA SEQUENCE SPPMAQAWCQ VMLDTRGGVR LSEQIQNDLL LRATGGVc 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.513 176.519 -0.009 0.000 1.175 3 W CA 0.000 57.341 57.345 -0.007 0.000 1.226 3 W CB 0.000 29.454 29.460 -0.009 0.000 1.126 4 Q N 0.754 120.644 119.800 0.149 0.000 2.214 4 Q HA 0.623 4.963 4.340 -0.001 0.000 0.251 4 Q C 0.851 176.886 176.000 0.059 0.000 0.936 4 Q CA 0.454 56.298 55.803 0.069 0.000 0.894 4 Q CB 1.014 29.750 28.738 -0.004 0.000 1.252 4 Q HN 0.254 nan 8.270 nan 0.000 0.448 5 T N -2.719 111.893 114.554 0.096 0.000 3.022 5 T HA 0.226 4.575 4.350 -0.001 0.000 0.250 5 T C 0.519 175.356 174.700 0.227 0.000 1.060 5 T CA 0.886 63.085 62.100 0.165 0.000 1.013 5 T CB -0.247 68.757 68.868 0.225 0.000 0.982 5 T HN 1.098 nan 8.240 nan 0.000 0.508 6 H N -1.165 117.936 119.070 0.052 0.000 2.950 6 H HA 0.429 4.985 4.556 -0.001 0.000 0.307 6 H C -1.939 173.436 175.328 0.079 0.000 1.403 6 H CA -0.764 55.324 56.048 0.066 0.000 1.145 6 H CB 0.864 30.666 29.762 0.066 0.000 1.844 6 H HN -0.044 nan 8.280 nan 0.000 0.515 7 T N 1.643 116.262 114.554 0.109 0.000 2.859 7 T HA 0.408 4.758 4.350 -0.001 0.000 0.281 7 T C 0.070 174.935 174.700 0.275 0.000 1.005 7 T CA -0.625 61.527 62.100 0.087 0.000 1.025 7 T CB 1.583 70.509 68.868 0.096 0.000 0.977 7 T HN 0.384 nan 8.240 nan 0.000 0.458 8 V N 5.390 125.408 119.914 0.173 0.000 2.461 8 V HA 0.646 4.765 4.120 -0.001 0.000 0.275 8 V C -0.337 175.910 176.094 0.254 0.000 1.047 8 V CA -0.363 62.050 62.300 0.189 0.000 0.955 8 V CB -0.395 31.485 31.823 0.096 0.000 0.988 8 V HN 0.844 nan 8.190 nan 0.000 0.471 9 F N 2.180 122.138 119.950 0.014 0.000 2.686 9 F HA 0.653 5.180 4.527 -0.001 0.000 0.311 9 F C 0.087 175.866 175.800 -0.036 0.000 1.128 9 F CA -1.301 56.685 58.000 -0.023 0.000 0.946 9 F CB 1.370 40.348 39.000 -0.037 0.000 1.336 9 F HN 0.384 nan 8.300 nan 0.000 0.457 10 N N 0.632 119.349 118.700 0.028 0.000 2.747 10 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 10 N C -1.232 174.199 175.510 -0.131 0.000 1.107 10 N CA 0.807 53.804 53.050 -0.088 0.000 0.707 10 N CB -0.649 37.744 38.487 -0.158 0.000 1.054 10 N HN 0.708 nan 8.380 nan 0.000 0.555 11 Q N 0.491 120.241 119.800 -0.083 0.000 2.372 11 Q HA 0.439 4.779 4.340 -0.001 0.000 0.259 11 Q C -2.193 173.780 176.000 -0.045 0.000 0.993 11 Q CA -1.376 54.393 55.803 -0.057 0.000 0.854 11 Q CB 1.233 29.955 28.738 -0.027 0.000 1.231 11 Q HN 0.297 nan 8.270 nan 0.000 0.462 12 P HA 0.049 nan 4.420 nan 0.000 0.267 12 P C 0.017 177.326 177.300 0.015 0.000 1.200 12 P CA -0.139 62.909 63.100 -0.086 0.000 0.772 12 P CB 0.468 32.059 31.700 -0.182 0.000 0.855 13 I N 0.845 121.431 120.570 0.027 0.000 2.529 13 I HA 0.286 4.456 4.170 -0.001 0.000 0.284 13 I C -2.164 174.086 176.117 0.221 0.000 1.082 13 I CA -2.375 58.990 61.300 0.108 0.000 1.406 13 I CB 0.452 38.519 38.000 0.111 0.000 1.405 13 I HN 0.172 nan 8.210 nan 0.000 0.548 14 P HA 0.075 nan 4.420 nan 0.000 0.271 14 P C -0.473 176.927 177.300 0.167 0.000 1.218 14 P CA -0.555 62.658 63.100 0.189 0.000 0.780 14 P CB 1.278 33.036 31.700 0.095 0.000 0.901 15 L N 3.756 125.017 121.223 0.063 0.000 2.500 15 L HA 0.163 4.503 4.340 -0.001 0.000 0.272 15 L C 0.082 176.834 176.870 -0.197 0.000 1.149 15 L CA 0.931 55.568 54.840 -0.338 0.000 0.897 15 L CB -1.418 40.394 42.059 -0.412 0.000 1.178 15 L HN 0.617 nan 8.230 nan 0.000 0.473 16 N N 1.755 120.333 118.700 -0.202 0.000 3.106 16 N HA 0.374 5.114 4.740 -0.001 0.000 0.253 16 N C -0.888 174.545 175.510 -0.127 0.000 1.506 16 N CA -0.753 52.216 53.050 -0.135 0.000 0.876 16 N CB 0.317 38.760 38.487 -0.073 0.000 1.452 16 N HN 0.363 nan 8.380 nan 0.000 0.542 17 N N -1.584 117.058 118.700 -0.096 0.000 2.727 17 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 17 N C -1.011 174.440 175.510 -0.098 0.000 1.048 17 N CA 1.334 54.335 53.050 -0.082 0.000 0.714 17 N CB -1.594 36.860 38.487 -0.055 0.000 0.959 17 N HN 0.882 nan 8.380 nan 0.000 0.544 18 S N -1.022 114.604 115.700 -0.124 0.000 2.726 18 S HA 0.513 4.983 4.470 -0.001 0.000 0.308 18 S C -0.145 174.394 174.600 -0.102 0.000 1.115 18 S CA -0.969 57.154 58.200 -0.128 0.000 0.965 18 S CB 2.439 65.528 63.200 -0.186 0.000 1.145 18 S HN 0.298 nan 8.310 nan 0.000 0.532 19 N N 0.123 118.771 118.700 -0.086 0.000 2.457 19 N HA 0.358 5.098 4.740 -0.001 0.000 0.250 19 N C 0.754 176.231 175.510 -0.055 0.000 0.982 19 N CA -0.553 52.458 53.050 -0.064 0.000 0.941 19 N CB 0.398 38.860 38.487 -0.041 0.000 1.120 19 N HN 0.616 nan 8.380 nan 0.000 0.505 20 L N 2.736 123.928 121.223 -0.052 0.000 2.201 20 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 20 L C 1.396 178.276 176.870 0.016 0.000 1.105 20 L CA 0.877 55.693 54.840 -0.040 0.000 0.775 20 L CB -0.372 41.649 42.059 -0.063 0.000 0.913 20 L HN 0.682 nan 8.230 nan 0.000 0.440 21 Y N 0.535 120.772 120.300 -0.105 0.000 2.205 21 Y HA -0.023 4.527 4.550 -0.001 0.000 0.292 21 Y C 2.268 178.118 175.900 -0.082 0.000 1.119 21 Y CA 1.021 59.064 58.100 -0.096 0.000 1.117 21 Y CB -0.143 38.248 38.460 -0.113 0.000 1.037 21 Y HN -0.099 nan 8.280 nan 0.000 0.510 22 L N 0.345 121.506 121.223 -0.104 0.000 2.353 22 L HA -0.153 4.187 4.340 -0.001 0.000 0.220 22 L C 2.212 178.981 176.870 -0.170 0.000 1.133 22 L CA 1.476 56.208 54.840 -0.181 0.000 0.798 22 L CB -0.727 41.300 42.059 -0.054 0.000 0.922 22 L HN 0.365 nan 8.230 nan 0.000 0.445 23 S N -2.606 113.017 115.700 -0.129 0.000 2.603 23 S HA -0.047 4.422 4.470 -0.001 0.000 0.220 23 S C 0.692 175.236 174.600 -0.093 0.000 0.967 23 S CA -0.108 58.034 58.200 -0.096 0.000 0.920 23 S CB -0.106 63.048 63.200 -0.077 0.000 0.773 23 S HN 0.269 nan 8.310 nan 0.000 0.529 24 D N 1.222 121.530 120.400 -0.154 0.000 2.458 24 D HA 0.444 5.084 4.640 -0.001 0.000 0.258 24 D C 1.253 177.447 176.300 -0.177 0.000 1.134 24 D CA -0.290 53.638 54.000 -0.120 0.000 0.915 24 D CB 0.724 41.458 40.800 -0.110 0.000 1.028 24 D HN 0.162 nan 8.370 nan 0.000 0.508 25 G N 2.518 111.251 108.800 -0.112 0.000 2.476 25 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.218 25 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.218 25 G C 1.418 176.244 174.900 -0.123 0.000 1.164 25 G CA 1.114 46.145 45.100 -0.115 0.000 0.768 25 G HN 0.557 nan 8.290 nan 0.000 0.560 26 A N 0.192 122.966 122.820 -0.076 0.000 1.933 26 A HA 0.073 4.393 4.320 -0.001 0.000 0.218 26 A C 2.368 179.860 177.584 -0.153 0.000 1.175 26 A CA 1.764 53.757 52.037 -0.073 0.000 0.628 26 A CB -0.405 18.592 19.000 -0.004 0.000 0.814 26 A HN 0.482 nan 8.150 nan 0.000 0.444 27 L N -0.155 120.956 121.223 -0.187 0.000 2.027 27 L HA -0.143 4.197 4.340 -0.001 0.000 0.206 27 L C 2.465 179.121 176.870 -0.357 0.000 1.074 27 L CA 2.211 56.860 54.840 -0.317 0.000 0.745 27 L CB -0.995 40.935 42.059 -0.214 0.000 0.898 27 L HN 0.458 nan 8.230 nan 0.000 0.433 28 c N -0.012 118.349 118.600 -0.399 0.000 2.413 28 c HA -0.174 4.396 4.570 -0.001 0.000 0.276 28 c C 2.581 176.549 174.090 -0.204 0.000 1.248 28 c CA 1.140 57.249 56.329 -0.365 0.000 1.742 28 c CB -1.103 41.150 42.510 -0.429 0.000 2.017 28 c HN 0.598 nan 8.230 nan 0.000 0.481 29 E N 0.803 120.889 120.200 -0.190 0.000 2.072 29 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 29 E C 2.382 178.879 176.600 -0.172 0.000 0.985 29 E CA 1.286 57.599 56.400 -0.146 0.000 0.801 29 E CB -0.255 29.376 29.700 -0.114 0.000 0.750 29 E HN 0.685 nan 8.360 nan 0.000 0.452 30 A N 0.873 123.555 122.820 -0.231 0.000 1.930 30 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 30 A C 2.473 179.912 177.584 -0.241 0.000 1.175 30 A CA 0.970 52.854 52.037 -0.254 0.000 0.627 30 A CB -0.558 18.218 19.000 -0.374 0.000 0.815 30 A HN 0.107 nan 8.150 nan 0.000 0.443 31 V N -0.321 119.425 119.914 -0.281 0.000 2.295 31 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 31 V C 2.772 178.788 176.094 -0.130 0.000 1.049 31 V CA 2.529 64.719 62.300 -0.183 0.000 1.024 31 V CB -1.096 30.659 31.823 -0.114 0.000 0.648 31 V HN 0.609 nan 8.190 nan 0.000 0.447 32 T N -0.492 113.993 114.554 -0.114 0.000 2.777 32 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 32 T C 2.034 176.679 174.700 -0.092 0.000 1.040 32 T CA 1.710 63.757 62.100 -0.088 0.000 1.141 32 T CB -0.263 68.564 68.868 -0.068 0.000 0.868 32 T HN 0.407 nan 8.240 nan 0.000 0.444 33 R N 1.061 121.484 120.500 -0.128 0.000 2.096 33 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 33 R C 1.362 177.569 176.300 -0.154 0.000 1.127 33 R CA 1.275 57.269 56.100 -0.176 0.000 0.968 33 R CB 0.032 30.163 30.300 -0.281 0.000 0.861 33 R HN 0.215 nan 8.270 nan 0.000 0.440 34 E N -0.830 119.309 120.200 -0.102 0.000 2.444 34 E HA 0.115 4.464 4.350 -0.001 0.000 0.191 34 E C 0.537 177.138 176.600 0.002 0.000 1.041 34 E CA 0.623 56.994 56.400 -0.047 0.000 0.883 34 E CB 1.094 30.816 29.700 0.037 0.000 1.024 34 E HN 0.623 nan 8.360 nan 0.000 0.470 35 G N 0.960 109.756 108.800 -0.007 0.000 2.134 35 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.209 35 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.209 35 G C 0.729 175.664 174.900 0.059 0.000 0.993 35 G CA 0.149 45.281 45.100 0.054 0.000 0.669 35 G HN 0.391 nan 8.290 nan 0.000 0.519 36 A N 0.088 122.827 122.820 -0.135 0.000 2.564 36 A HA 0.694 5.014 4.320 -0.001 0.000 0.279 36 A C 2.101 179.281 177.584 -0.674 0.000 1.232 36 A CA 1.249 52.954 52.037 -0.555 0.000 0.950 36 A CB -0.136 18.611 19.000 -0.422 0.000 1.138 36 A HN 1.460 nan 8.150 nan 0.000 0.526 37 G N 0.577 109.202 108.800 -0.292 0.000 2.485 37 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.221 37 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.221 37 G C 1.364 176.199 174.900 -0.108 0.000 1.115 37 G CA 1.169 46.177 45.100 -0.153 0.000 0.751 37 G HN 0.894 nan 8.290 nan 0.000 0.567 38 W N 0.466 121.774 121.300 0.013 0.000 2.468 38 W HA 0.069 4.728 4.660 -0.001 0.000 0.262 38 W C 0.894 177.419 176.519 0.010 0.000 1.241 38 W CA 0.723 58.072 57.345 0.008 0.000 1.232 38 W CB -0.351 29.107 29.460 -0.003 0.000 1.124 38 W HN 0.210 nan 8.180 nan 0.000 0.597 39 D N 1.044 121.159 120.400 -0.475 0.000 2.339 39 D HA -0.075 4.565 4.640 -0.001 0.000 0.217 39 D C 2.367 178.559 176.300 -0.180 0.000 1.050 39 D CA 1.174 54.958 54.000 -0.361 0.000 0.856 39 D CB 0.111 40.415 40.800 -0.826 0.000 0.922 39 D HN 0.106 nan 8.370 nan 0.000 0.518 40 S N -0.340 115.279 115.700 -0.135 0.000 2.368 40 S HA -0.176 4.294 4.470 -0.001 0.000 0.225 40 S C 1.614 176.179 174.600 -0.058 0.000 1.030 40 S CA 0.961 59.108 58.200 -0.088 0.000 0.999 40 S CB -0.190 63.033 63.200 0.038 0.000 0.844 40 S HN 0.075 nan 8.310 nan 0.000 0.459 41 D N 0.849 121.261 120.400 0.020 0.000 2.117 41 D HA -0.025 4.614 4.640 -0.001 0.000 0.197 41 D C 1.530 177.839 176.300 0.015 0.000 0.987 41 D CA 1.003 55.023 54.000 0.035 0.000 0.829 41 D CB -0.565 40.278 40.800 0.073 0.000 0.961 41 D HN 0.502 nan 8.370 nan 0.000 0.460 42 F N 1.107 121.003 119.950 -0.089 0.000 2.102 42 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 42 F C 2.192 177.873 175.800 -0.198 0.000 1.105 42 F CA 1.093 59.032 58.000 -0.101 0.000 1.239 42 F CB -0.123 38.842 39.000 -0.058 0.000 0.991 42 F HN -0.113 nan 8.300 nan 0.000 0.474 43 L N -0.061 120.965 121.223 -0.328 0.000 2.042 43 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 43 L C 2.798 179.293 176.870 -0.625 0.000 1.076 43 L CA 1.199 55.619 54.840 -0.700 0.000 0.749 43 L CB -1.112 40.181 42.059 -1.277 0.000 0.893 43 L HN 0.263 nan 8.230 nan 0.000 0.432 44 A N -1.144 121.460 122.820 -0.360 0.000 1.933 44 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 44 A C 2.535 180.032 177.584 -0.145 0.000 1.175 44 A CA 2.044 54.048 52.037 -0.054 0.000 0.628 44 A CB -0.628 18.403 19.000 0.053 0.000 0.814 44 A HN 0.383 nan 8.150 nan 0.000 0.444 45 S N 0.100 115.658 115.700 -0.236 0.000 2.345 45 S HA -0.140 4.330 4.470 -0.001 0.000 0.220 45 S C 1.980 176.386 174.600 -0.323 0.000 1.031 45 S CA 1.459 59.511 58.200 -0.247 0.000 0.996 45 S CB -0.621 62.423 63.200 -0.259 0.000 0.882 45 S HN 0.709 nan 8.310 nan 0.000 0.445 46 I N -0.599 119.663 120.570 -0.513 0.000 2.546 46 I HA 0.223 4.393 4.170 -0.001 0.000 0.255 46 I C 2.296 178.215 176.117 -0.331 0.000 1.163 46 I CA 1.192 62.208 61.300 -0.472 0.000 1.457 46 I CB -1.020 36.609 38.000 -0.617 0.000 1.092 46 I HN 0.309 nan 8.210 nan 0.000 0.434 47 G N 0.775 109.418 108.800 -0.262 0.000 2.422 47 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 47 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 47 G C 1.652 176.475 174.900 -0.128 0.000 1.146 47 G CA 0.704 45.719 45.100 -0.142 0.000 0.769 47 G HN 0.452 nan 8.290 nan 0.000 0.547 48 Q N 0.263 119.987 119.800 -0.128 0.000 2.049 48 Q HA -0.087 4.253 4.340 -0.001 0.000 0.198 48 Q C 2.580 178.506 176.000 -0.123 0.000 0.971 48 Q CA 1.589 57.327 55.803 -0.108 0.000 0.833 48 Q CB -0.330 28.354 28.738 -0.090 0.000 0.896 48 Q HN 0.621 nan 8.270 nan 0.000 0.434 49 Q N 0.028 119.738 119.800 -0.151 0.000 2.096 49 Q HA -0.104 4.235 4.340 -0.001 0.000 0.204 49 Q C 2.272 178.180 176.000 -0.153 0.000 0.982 49 Q CA 1.433 57.151 55.803 -0.143 0.000 0.850 49 Q CB -0.042 28.600 28.738 -0.159 0.000 0.901 49 Q HN 0.341 nan 8.270 nan 0.000 0.422 50 L N -0.666 120.436 121.223 -0.201 0.000 2.313 50 L HA 0.004 4.343 4.340 -0.001 0.000 0.214 50 L C 2.063 178.838 176.870 -0.159 0.000 1.119 50 L CA 0.614 55.324 54.840 -0.217 0.000 0.809 50 L CB -0.202 41.661 42.059 -0.326 0.000 0.933 50 L HN 0.274 nan 8.230 nan 0.000 0.449 51 G N -0.543 108.175 108.800 -0.138 0.000 2.920 51 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.208 51 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.208 51 G C 0.819 175.658 174.900 -0.101 0.000 1.159 51 G CA 0.427 45.457 45.100 -0.116 0.000 0.784 51 G HN 0.366 nan 8.290 nan 0.000 0.535 52 T N -2.318 112.181 114.554 -0.092 0.000 2.898 52 T HA 0.499 4.849 4.350 -0.001 0.000 0.301 52 T C 1.781 176.443 174.700 -0.063 0.000 1.049 52 T CA 0.217 62.274 62.100 -0.072 0.000 1.095 52 T CB 1.782 70.612 68.868 -0.063 0.000 0.976 52 T HN 0.172 nan 8.240 nan 0.000 0.539 53 A N 1.484 124.274 122.820 -0.050 0.000 1.948 53 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 53 A C 2.193 179.756 177.584 -0.034 0.000 1.177 53 A CA 1.990 54.004 52.037 -0.038 0.000 0.636 53 A CB -1.036 17.948 19.000 -0.026 0.000 0.815 53 A HN 0.940 nan 8.150 nan 0.000 0.449 54 E N -0.429 119.752 120.200 -0.032 0.000 2.077 54 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 54 E C 2.343 178.923 176.600 -0.033 0.000 0.989 54 E CA 1.344 57.729 56.400 -0.025 0.000 0.800 54 E CB -0.374 29.313 29.700 -0.022 0.000 0.746 54 E HN 0.599 nan 8.360 nan 0.000 0.452 55 S N -0.070 115.601 115.700 -0.050 0.000 2.356 55 S HA -0.129 4.340 4.470 -0.001 0.000 0.223 55 S C 1.890 176.454 174.600 -0.060 0.000 1.032 55 S CA 0.965 59.127 58.200 -0.063 0.000 1.005 55 S CB -0.254 62.892 63.200 -0.091 0.000 0.867 55 S HN 0.199 nan 8.310 nan 0.000 0.449 56 L N 0.971 122.159 121.223 -0.059 0.000 2.083 56 L HA -0.050 4.289 4.340 -0.001 0.000 0.209 56 L C 2.797 179.643 176.870 -0.041 0.000 1.083 56 L CA 1.667 56.475 54.840 -0.053 0.000 0.752 56 L CB -0.593 41.435 42.059 -0.052 0.000 0.899 56 L HN 0.367 nan 8.230 nan 0.000 0.433 57 E N 0.810 120.990 120.200 -0.033 0.000 2.110 57 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 57 E C 2.172 178.755 176.600 -0.027 0.000 0.988 57 E CA 1.274 57.658 56.400 -0.025 0.000 0.804 57 E CB -0.240 29.452 29.700 -0.013 0.000 0.745 57 E HN 0.381 nan 8.360 nan 0.000 0.458 58 L N -0.503 120.706 121.223 -0.023 0.000 2.042 58 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 58 L C 2.480 179.332 176.870 -0.030 0.000 1.076 58 L CA 1.314 56.144 54.840 -0.017 0.000 0.749 58 L CB -0.908 41.140 42.059 -0.019 0.000 0.893 58 L HN 0.343 nan 8.230 nan 0.000 0.432 59 G N -0.378 108.399 108.800 -0.038 0.000 2.421 59 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.216 59 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.216 59 G C 1.735 176.618 174.900 -0.028 0.000 1.171 59 G CA 0.740 45.821 45.100 -0.032 0.000 0.775 59 G HN 0.244 nan 8.290 nan 0.000 0.543 60 R N -0.109 120.368 120.500 -0.038 0.000 2.080 60 R HA 0.019 4.359 4.340 -0.001 0.000 0.236 60 R C 2.666 178.922 176.300 -0.074 0.000 1.137 60 R CA 1.343 57.416 56.100 -0.044 0.000 0.943 60 R CB -0.446 29.830 30.300 -0.040 0.000 0.846 60 R HN 0.386 nan 8.270 nan 0.000 0.431 61 L N 0.200 121.355 121.223 -0.114 0.000 2.042 61 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 61 L C 2.666 179.358 176.870 -0.297 0.000 1.076 61 L CA 1.379 56.060 54.840 -0.264 0.000 0.749 61 L CB -0.509 41.344 42.059 -0.344 0.000 0.893 61 L HN 0.360 nan 8.230 nan 0.000 0.432 62 A N -0.478 122.270 122.820 -0.120 0.000 2.015 62 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 62 A C 2.042 179.649 177.584 0.038 0.000 1.163 62 A CA 1.520 53.574 52.037 0.029 0.000 0.646 62 A CB -0.412 18.700 19.000 0.186 0.000 0.806 62 A HN 0.475 nan 8.150 nan 0.000 0.448 63 N N -0.179 118.520 118.700 -0.001 0.000 2.387 63 N HA -0.065 4.675 4.740 -0.001 0.000 0.176 63 N C 1.743 177.237 175.510 -0.026 0.000 1.022 63 N CA 1.572 54.623 53.050 0.003 0.000 0.883 63 N CB 0.129 38.620 38.487 0.007 0.000 1.019 63 N HN 0.475 nan 8.380 nan 0.000 0.435 64 V N -1.418 118.465 119.914 -0.052 0.000 3.306 64 V HA 0.130 4.250 4.120 -0.001 0.000 0.264 64 V C -0.119 175.947 176.094 -0.047 0.000 1.149 64 V CA 0.806 63.077 62.300 -0.048 0.000 1.143 64 V CB -0.661 31.133 31.823 -0.048 0.000 0.767 64 V HN 0.076 nan 8.190 nan 0.000 0.476 65 N N 2.267 120.929 118.700 -0.064 0.000 3.012 65 N HA 0.413 5.152 4.740 -0.001 0.000 0.270 65 N C -2.851 172.652 175.510 -0.012 0.000 1.469 65 N CA -1.161 51.879 53.050 -0.017 0.000 0.928 65 N CB 1.142 39.643 38.487 0.024 0.000 1.219 65 N HN 0.437 nan 8.380 nan 0.000 0.492 66 P HA 0.222 nan 4.420 nan 0.000 0.274 66 P C -2.539 174.650 177.300 -0.185 0.000 1.256 66 P CA -1.063 61.980 63.100 -0.095 0.000 0.795 66 P CB 0.096 31.742 31.700 -0.091 0.000 1.038 67 P HA 0.192 nan 4.420 nan 0.000 0.272 67 P C -0.610 176.448 177.300 -0.403 0.000 1.240 67 P CA 0.170 62.888 63.100 -0.637 0.000 0.791 67 P CB 0.684 31.634 31.700 -1.251 0.000 0.978 68 E N 0.343 120.315 120.200 -0.381 0.000 2.199 68 E HA 0.345 4.695 4.350 -0.001 0.000 0.265 68 E C -0.862 175.609 176.600 -0.215 0.000 0.882 68 E CA -1.044 55.221 56.400 -0.225 0.000 0.759 68 E CB 1.562 31.177 29.700 -0.143 0.000 1.148 68 E HN 0.228 nan 8.360 nan 0.000 0.412 69 L N 4.406 125.532 121.223 -0.161 0.000 2.360 69 L HA 0.214 4.553 4.340 -0.001 0.000 0.276 69 L C -1.068 175.753 176.870 -0.081 0.000 1.121 69 L CA 0.162 54.927 54.840 -0.125 0.000 0.845 69 L CB 0.286 42.280 42.059 -0.107 0.000 1.143 69 L HN 0.518 nan 8.230 nan 0.000 0.452 70 L N 6.798 127.980 121.223 -0.069 0.000 2.360 70 L HA 0.438 4.778 4.340 -0.001 0.000 0.265 70 L C 1.213 178.040 176.870 -0.071 0.000 1.066 70 L CA -0.304 54.512 54.840 -0.040 0.000 0.929 70 L CB 0.346 42.393 42.059 -0.020 0.000 1.306 70 L HN 0.699 nan 8.230 nan 0.000 0.434 71 R N 1.391 121.836 120.500 -0.091 0.000 2.090 71 R HA 0.052 4.392 4.340 -0.001 0.000 0.228 71 R C -0.321 175.690 176.300 -0.481 0.000 1.110 71 R CA 1.166 57.101 56.100 -0.276 0.000 0.973 71 R CB 0.161 30.300 30.300 -0.267 0.000 0.869 71 R HN 0.343 nan 8.270 nan 0.000 0.440 72 Y N 0.098 120.390 120.300 -0.014 0.000 2.570 72 Y HA 0.146 4.695 4.550 -0.001 0.000 0.345 72 Y C -0.040 175.859 175.900 -0.002 0.000 1.014 72 Y CA -1.780 56.316 58.100 -0.007 0.000 1.063 72 Y CB 1.182 39.636 38.460 -0.009 0.000 1.272 72 Y HN 0.030 nan 8.280 nan 0.000 0.477 73 D N 0.148 120.652 120.400 0.172 0.000 2.478 73 D HA 0.380 5.020 4.640 -0.001 0.000 0.269 73 D C 0.784 177.140 176.300 0.093 0.000 1.232 73 D CA -0.341 53.722 54.000 0.104 0.000 1.059 73 D CB 0.585 41.430 40.800 0.076 0.000 1.104 73 D HN 0.559 nan 8.370 nan 0.000 0.566 74 A N -1.070 121.784 122.820 0.058 0.000 2.168 74 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 74 A C 1.626 179.227 177.584 0.027 0.000 1.152 74 A CA 0.866 52.925 52.037 0.037 0.000 0.716 74 A CB -0.558 18.458 19.000 0.026 0.000 0.794 74 A HN 0.442 nan 8.150 nan 0.000 0.465 75 Q N -1.431 118.392 119.800 0.038 0.000 2.319 75 Q HA 0.347 4.687 4.340 -0.001 0.000 0.202 75 Q C 1.078 177.094 176.000 0.027 0.000 0.896 75 Q CA 0.692 56.512 55.803 0.028 0.000 0.942 75 Q CB 0.329 29.087 28.738 0.033 0.000 1.083 75 Q HN 0.804 nan 8.270 nan 0.000 0.510 76 G N 0.725 109.548 108.800 0.039 0.000 2.143 76 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.249 76 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.249 76 G C -0.125 174.853 174.900 0.130 0.000 0.981 76 G CA -0.171 44.935 45.100 0.009 0.000 0.665 76 G HN 0.238 nan 8.290 nan 0.000 0.528 77 R N -0.453 120.147 120.500 0.167 0.000 2.457 77 R HA 0.574 4.914 4.340 -0.001 0.000 0.284 77 R C 0.600 177.039 176.300 0.231 0.000 1.024 77 R CA -0.984 55.226 56.100 0.182 0.000 1.025 77 R CB 0.794 31.154 30.300 0.100 0.000 1.063 77 R HN 0.151 nan 8.270 nan 0.000 0.493 78 R N 1.401 121.984 120.500 0.138 0.000 2.570 78 R HA -0.050 4.290 4.340 -0.001 0.000 0.277 78 R C 0.471 176.727 176.300 -0.073 0.000 1.039 78 R CA 0.227 56.270 56.100 -0.095 0.000 1.065 78 R CB 0.322 30.560 30.300 -0.103 0.000 0.964 78 R HN 0.581 nan 8.270 nan 0.000 0.428 79 L N 1.635 122.773 121.223 -0.141 0.000 2.663 79 L HA 0.274 4.614 4.340 -0.001 0.000 0.218 79 L C -0.495 176.326 176.870 -0.081 0.000 1.043 79 L CA 0.781 55.583 54.840 -0.064 0.000 0.876 79 L CB 0.090 42.135 42.059 -0.024 0.000 1.263 79 L HN 0.816 nan 8.230 nan 0.000 0.486 80 D N 2.273 122.590 120.400 -0.140 0.000 2.737 80 D HA -0.212 4.428 4.640 -0.001 0.000 0.238 80 D C -0.439 175.838 176.300 -0.039 0.000 1.157 80 D CA 1.123 55.056 54.000 -0.112 0.000 0.694 80 D CB -0.708 40.020 40.800 -0.119 0.000 1.021 80 D HN 0.471 nan 8.370 nan 0.000 0.420 81 D N -1.256 119.131 120.400 -0.022 0.000 2.566 81 D HA 0.655 5.295 4.640 -0.001 0.000 0.254 81 D C -0.917 175.387 176.300 0.008 0.000 1.090 81 D CA -0.623 53.397 54.000 0.032 0.000 1.034 81 D CB 2.163 42.998 40.800 0.058 0.000 1.434 81 D HN -0.112 nan 8.370 nan 0.000 0.509 82 V N 1.143 121.081 119.914 0.041 0.000 2.789 82 V HA 0.546 4.666 4.120 -0.001 0.000 0.311 82 V C -0.365 175.697 176.094 -0.054 0.000 1.073 82 V CA -0.878 61.372 62.300 -0.083 0.000 0.921 82 V CB 2.020 33.755 31.823 -0.146 0.000 1.009 82 V HN 0.486 nan 8.190 nan 0.000 0.426 83 R N 2.642 123.018 120.500 -0.207 0.000 2.387 83 R HA 0.697 5.037 4.340 -0.001 0.000 0.314 83 R C -1.789 174.342 176.300 -0.281 0.000 0.958 83 R CA -0.340 55.714 56.100 -0.075 0.000 0.846 83 R CB 1.121 31.398 30.300 -0.038 0.000 1.147 83 R HN 0.569 nan 8.270 nan 0.000 0.447 84 F N 1.645 121.601 119.950 0.011 0.000 2.538 84 F HA 0.308 4.835 4.527 -0.001 0.000 0.325 84 F C 0.741 176.580 175.800 0.064 0.000 1.066 84 F CA -0.785 57.167 58.000 -0.081 0.000 0.946 84 F CB 1.173 39.971 39.000 -0.337 0.000 1.199 84 F HN 0.435 nan 8.300 nan 0.000 0.473 85 H N 4.232 123.410 119.070 0.181 0.000 2.871 85 H HA 0.059 4.615 4.556 -0.001 0.000 0.355 85 H C -1.690 173.775 175.328 0.229 0.000 1.092 85 H CA -1.098 55.052 56.048 0.169 0.000 1.420 85 H CB 1.592 31.429 29.762 0.125 0.000 1.400 85 H HN 0.273 nan 8.280 nan 0.000 0.604 86 P HA -0.131 nan 4.420 nan 0.000 0.219 86 P C 1.111 178.597 177.300 0.309 0.000 1.146 86 P CA 1.627 64.855 63.100 0.213 0.000 0.808 86 P CB -0.074 31.646 31.700 0.033 0.000 0.779 87 A N 0.153 123.281 122.820 0.513 0.000 1.940 87 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 87 A C 2.251 179.935 177.584 0.167 0.000 1.176 87 A CA 1.378 53.594 52.037 0.299 0.000 0.631 87 A CB -2.026 17.109 19.000 0.226 0.000 0.814 87 A HN 0.301 nan 8.150 nan 0.000 0.446 88 W N 0.578 121.883 121.300 0.007 0.000 2.333 88 W HA -0.280 4.380 4.660 -0.001 0.000 0.316 88 W C 1.940 178.276 176.519 -0.304 0.000 1.215 88 W CA 2.180 59.410 57.345 -0.192 0.000 1.278 88 W CB -0.681 28.627 29.460 -0.253 0.000 1.154 88 W HN 0.652 nan 8.180 nan 0.000 0.486 89 H N 0.176 119.271 119.070 0.041 0.000 2.387 89 H HA -0.129 4.427 4.556 -0.001 0.000 0.299 89 H C 2.434 177.646 175.328 -0.193 0.000 1.090 89 H CA 2.135 58.141 56.048 -0.069 0.000 1.332 89 H CB -0.523 29.370 29.762 0.220 0.000 1.386 89 H HN 0.114 nan 8.280 nan 0.000 0.516 90 L N 0.042 121.270 121.223 0.009 0.000 2.093 90 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 90 L C 2.052 178.818 176.870 -0.174 0.000 1.085 90 L CA 0.796 55.609 54.840 -0.045 0.000 0.755 90 L CB -0.291 41.774 42.059 0.011 0.000 0.904 90 L HN 0.295 nan 8.230 nan 0.000 0.435 91 L N -1.284 119.774 121.223 -0.275 0.000 2.017 91 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 91 L C 2.739 179.291 176.870 -0.529 0.000 1.073 91 L CA 0.999 55.624 54.840 -0.357 0.000 0.745 91 L CB -0.421 41.392 42.059 -0.409 0.000 0.894 91 L HN 0.283 nan 8.230 nan 0.000 0.432 92 M N -0.596 118.499 119.600 -0.841 0.000 2.108 92 M HA -0.264 4.216 4.480 -0.001 0.000 0.261 92 M C 2.267 178.107 176.300 -0.765 0.000 1.066 92 M CA 1.663 56.317 55.300 -1.077 0.000 1.107 92 M CB -1.178 30.302 32.600 -1.867 0.000 1.356 92 M HN 0.332 nan 8.290 nan 0.000 0.406 93 Q N -0.150 119.342 119.800 -0.512 0.000 2.061 93 Q HA -0.163 4.177 4.340 -0.001 0.000 0.204 93 Q C 1.999 177.921 176.000 -0.129 0.000 0.984 93 Q CA 2.293 58.005 55.803 -0.152 0.000 0.846 93 Q CB -0.046 28.685 28.738 -0.010 0.000 0.902 93 Q HN 0.508 nan 8.270 nan 0.000 0.421 94 A N 0.257 122.993 122.820 -0.139 0.000 1.929 94 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 94 A C 2.027 179.562 177.584 -0.080 0.000 1.176 94 A CA 0.910 52.926 52.037 -0.036 0.000 0.628 94 A CB -0.584 18.436 19.000 0.032 0.000 0.816 94 A HN 0.437 nan 8.150 nan 0.000 0.444 95 L N -0.705 120.337 121.223 -0.301 0.000 2.012 95 L HA -0.287 4.053 4.340 -0.001 0.000 0.210 95 L C 2.716 179.414 176.870 -0.287 0.000 1.073 95 L CA 1.646 56.178 54.840 -0.514 0.000 0.748 95 L CB -0.608 41.094 42.059 -0.595 0.000 0.891 95 L HN 0.497 nan 8.230 nan 0.000 0.431 96 C N -1.337 117.790 119.300 -0.289 0.000 2.466 96 C HA -0.123 4.337 4.460 -0.001 0.000 0.278 96 C C 2.897 177.904 174.990 0.028 0.000 1.288 96 C CA 1.136 60.002 59.018 -0.253 0.000 1.722 96 C CB -0.881 26.667 27.740 -0.320 0.000 2.017 96 C HN 0.520 nan 8.230 nan 0.000 0.488 97 T N 1.871 116.438 114.554 0.022 0.000 2.699 97 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 97 T C 1.330 176.110 174.700 0.133 0.000 1.036 97 T CA 1.553 63.703 62.100 0.084 0.000 1.147 97 T CB -0.399 68.516 68.868 0.079 0.000 0.862 97 T HN 0.496 nan 8.240 nan 0.000 0.446 98 N N 0.771 119.562 118.700 0.152 0.000 2.449 98 N HA 0.109 4.849 4.740 -0.001 0.000 0.191 98 N C 0.236 175.831 175.510 0.142 0.000 1.161 98 N CA 0.067 53.266 53.050 0.248 0.000 0.863 98 N CB -0.105 38.591 38.487 0.347 0.000 0.980 98 N HN 0.392 nan 8.380 nan 0.000 0.458 99 R N -0.861 119.729 120.500 0.150 0.000 3.641 99 R HA -0.130 4.209 4.340 -0.001 0.000 0.286 99 R C 0.441 176.820 176.300 0.131 0.000 1.153 99 R CA 0.158 56.366 56.100 0.180 0.000 0.775 99 R CB -2.351 27.974 30.300 0.041 0.000 1.215 99 R HN 0.029 nan 8.270 nan 0.000 0.474 100 V N 0.548 120.525 119.914 0.105 0.000 2.913 100 V HA -0.209 3.910 4.120 -0.001 0.000 0.260 100 V C 2.369 178.494 176.094 0.051 0.000 1.098 100 V CA 2.113 64.398 62.300 -0.024 0.000 1.121 100 V CB -0.630 31.105 31.823 -0.148 0.000 0.714 100 V HN 0.549 nan 8.190 nan 0.000 0.487 101 H N 1.056 120.138 119.070 0.020 0.000 2.551 101 H HA 0.088 4.644 4.556 -0.001 0.000 0.266 101 H C 1.114 176.682 175.328 0.400 0.000 0.964 101 H CA 1.106 57.270 56.048 0.193 0.000 1.180 101 H CB -0.169 29.677 29.762 0.140 0.000 1.408 101 H HN 0.699 nan 8.280 nan 0.000 0.563 102 N N -0.596 118.070 118.700 -0.056 0.000 2.036 102 N HA -0.033 4.707 4.740 -0.001 0.000 0.224 102 N C 0.999 176.401 175.510 -0.181 0.000 1.381 102 N CA -0.031 52.968 53.050 -0.085 0.000 0.746 102 N CB -0.845 37.493 38.487 -0.248 0.000 1.213 102 N HN 0.149 nan 8.380 nan 0.000 0.524 103 L N 1.173 122.318 121.223 -0.131 0.000 2.043 103 L HA 0.102 4.442 4.340 -0.001 0.000 0.212 103 L C 2.187 178.939 176.870 -0.197 0.000 1.075 103 L CA 2.342 57.108 54.840 -0.123 0.000 0.752 103 L CB -0.718 41.295 42.059 -0.076 0.000 0.891 103 L HN 0.337 nan 8.230 nan 0.000 0.432 104 A N -1.510 121.054 122.820 -0.428 0.000 2.121 104 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 104 A C 1.741 179.096 177.584 -0.383 0.000 1.154 104 A CA 1.467 53.164 52.037 -0.567 0.000 0.679 104 A CB -1.083 17.333 19.000 -0.974 0.000 0.795 104 A HN 0.747 nan 8.150 nan 0.000 0.458 105 W N 0.390 121.703 121.300 0.021 0.000 3.278 105 W HA 0.260 4.920 4.660 -0.000 0.000 0.308 105 W C 0.339 176.845 176.519 -0.022 0.000 1.253 105 W CA -0.805 56.522 57.345 -0.030 0.000 1.759 105 W CB 0.227 29.633 29.460 -0.090 0.000 1.093 105 W HN 0.192 nan 8.180 nan 0.000 0.648 106 E N 2.156 122.421 120.200 0.109 0.000 2.415 106 E HA -0.015 4.335 4.350 -0.001 0.000 0.262 106 E C 0.429 177.062 176.600 0.057 0.000 1.038 106 E CA -0.005 56.430 56.400 0.059 0.000 0.921 106 E CB 0.613 30.313 29.700 0.000 0.000 0.950 106 E HN -0.001 nan 8.360 nan 0.000 0.438 107 E N 1.150 121.373 120.200 0.038 0.000 2.415 107 E HA 0.013 4.363 4.350 -0.001 0.000 0.263 107 E C 0.542 177.140 176.600 -0.003 0.000 0.995 107 E CA 1.046 57.459 56.400 0.023 0.000 0.915 107 E CB 0.197 29.905 29.700 0.013 0.000 0.951 107 E HN 0.831 nan 8.360 nan 0.000 0.449 108 D N 0.442 120.837 120.400 -0.008 0.000 3.090 108 D HA -0.177 4.462 4.640 -0.001 0.000 0.215 108 D C 0.442 176.703 176.300 -0.065 0.000 1.140 108 D CA 0.825 54.801 54.000 -0.039 0.000 0.937 108 D CB -1.659 39.110 40.800 -0.051 0.000 1.108 108 D HN 0.802 nan 8.370 nan 0.000 0.420 109 A N 0.010 122.808 122.820 -0.037 0.000 2.565 109 A HA 0.475 4.794 4.320 -0.001 0.000 0.237 109 A C 0.988 178.519 177.584 -0.090 0.000 1.053 109 A CA 0.940 52.944 52.037 -0.055 0.000 0.755 109 A CB 0.120 19.121 19.000 0.001 0.000 0.980 109 A HN 1.280 nan 8.150 nan 0.000 0.506 110 R N 2.056 122.442 120.500 -0.190 0.000 2.543 110 R HA 0.532 4.871 4.340 -0.001 0.000 0.268 110 R C 0.277 176.541 176.300 -0.060 0.000 1.067 110 R CA -0.015 55.941 56.100 -0.241 0.000 1.142 110 R CB 0.472 30.433 30.300 -0.565 0.000 1.110 110 R HN 0.544 nan 8.270 nan 0.000 0.549 111 S N -0.274 115.410 115.700 -0.026 0.000 2.563 111 S HA 0.249 4.718 4.470 -0.001 0.000 0.294 111 S C 1.151 175.929 174.600 0.297 0.000 1.279 111 S CA 1.182 59.442 58.200 0.099 0.000 1.069 111 S CB -0.299 62.942 63.200 0.069 0.000 0.828 111 S HN 0.991 nan 8.310 nan 0.000 0.497 112 G N 3.208 112.189 108.800 0.301 0.000 2.176 112 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.232 112 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.232 112 G C 0.966 176.105 174.900 0.400 0.000 0.986 112 G CA 0.415 45.731 45.100 0.361 0.000 0.643 112 G HN 1.377 nan 8.290 nan 0.000 0.522 113 A N -0.238 122.825 122.820 0.406 0.000 1.940 113 A HA 0.233 4.553 4.320 -0.001 0.000 0.219 113 A C 1.944 179.629 177.584 0.168 0.000 1.176 113 A CA 2.163 54.400 52.037 0.335 0.000 0.631 113 A CB -0.435 18.674 19.000 0.181 0.000 0.814 113 A HN 1.117 nan 8.150 nan 0.000 0.446 114 F N 0.312 120.285 119.950 0.039 0.000 2.186 114 F HA -0.118 4.409 4.527 -0.001 0.000 0.299 114 F C 2.230 178.018 175.800 -0.021 0.000 1.090 114 F CA 1.736 59.726 58.000 -0.016 0.000 1.307 114 F CB -0.019 38.985 39.000 0.007 0.000 1.019 114 F HN 0.042 nan 8.300 nan 0.000 0.489 115 V N 0.022 120.081 119.914 0.243 0.000 2.358 115 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 115 V C 2.671 178.841 176.094 0.127 0.000 1.047 115 V CA 1.610 64.038 62.300 0.213 0.000 1.035 115 V CB -1.462 30.492 31.823 0.218 0.000 0.658 115 V HN 0.412 nan 8.190 nan 0.000 0.452 116 A N 0.320 123.134 122.820 -0.010 0.000 1.902 116 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 116 A C 2.431 179.982 177.584 -0.055 0.000 1.181 116 A CA 1.951 53.902 52.037 -0.143 0.000 0.623 116 A CB -0.595 18.189 19.000 -0.360 0.000 0.818 116 A HN 0.383 nan 8.150 nan 0.000 0.443 117 R N 0.139 120.579 120.500 -0.100 0.000 2.081 117 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 117 R C 2.230 178.419 176.300 -0.186 0.000 1.131 117 R CA 1.754 57.729 56.100 -0.207 0.000 0.960 117 R CB -0.801 29.244 30.300 -0.425 0.000 0.856 117 R HN 0.426 nan 8.270 nan 0.000 0.436 118 A N 0.778 123.490 122.820 -0.180 0.000 1.902 118 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 118 A C 2.426 180.152 177.584 0.236 0.000 1.181 118 A CA 1.909 53.921 52.037 -0.042 0.000 0.623 118 A CB -0.734 18.239 19.000 -0.046 0.000 0.818 118 A HN 0.503 nan 8.150 nan 0.000 0.443 119 A N -0.160 122.864 122.820 0.339 0.000 1.877 119 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 119 A C 2.240 179.934 177.584 0.182 0.000 1.186 119 A CA 1.536 53.771 52.037 0.329 0.000 0.620 119 A CB -0.486 18.605 19.000 0.152 0.000 0.822 119 A HN 0.561 nan 8.150 nan 0.000 0.443 120 R N -1.856 118.713 120.500 0.115 0.000 2.083 120 R HA -0.150 4.190 4.340 -0.001 0.000 0.237 120 R C 2.049 178.467 176.300 0.196 0.000 1.137 120 R CA 1.687 57.864 56.100 0.129 0.000 0.951 120 R CB -0.628 29.760 30.300 0.147 0.000 0.851 120 R HN 0.594 nan 8.270 nan 0.000 0.434 121 F N 1.445 121.390 119.950 -0.009 0.000 2.091 121 F HA -0.267 4.259 4.527 -0.001 0.000 0.299 121 F C 2.495 178.301 175.800 0.010 0.000 1.103 121 F CA 1.821 59.788 58.000 -0.054 0.000 1.228 121 F CB -0.156 38.734 39.000 -0.182 0.000 0.984 121 F HN -0.070 nan 8.300 nan 0.000 0.477 122 M N -0.122 119.668 119.600 0.317 0.000 2.213 122 M HA -0.184 4.296 4.480 -0.001 0.000 0.263 122 M C 1.838 178.182 176.300 0.073 0.000 1.062 122 M CA 1.645 57.086 55.300 0.235 0.000 1.105 122 M CB -0.231 32.574 32.600 0.342 0.000 1.385 122 M HN 0.308 nan 8.290 nan 0.000 0.417 123 L N -1.123 120.127 121.223 0.045 0.000 2.005 123 L HA -0.234 4.106 4.340 -0.001 0.000 0.207 123 L C 2.627 179.406 176.870 -0.152 0.000 1.072 123 L CA 1.158 55.961 54.840 -0.062 0.000 0.744 123 L CB -1.491 40.496 42.059 -0.119 0.000 0.895 123 L HN 0.384 nan 8.230 nan 0.000 0.433 124 H N 0.060 119.023 119.070 -0.180 0.000 2.353 124 H HA -0.163 4.393 4.556 -0.001 0.000 0.298 124 H C 2.263 177.421 175.328 -0.283 0.000 1.103 124 H CA 1.620 57.520 56.048 -0.248 0.000 1.293 124 H CB -0.008 29.567 29.762 -0.312 0.000 1.372 124 H HN 0.389 nan 8.280 nan 0.000 0.501 125 A N 1.100 123.781 122.820 -0.230 0.000 2.019 125 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 125 A C 2.310 179.813 177.584 -0.136 0.000 1.164 125 A CA 1.242 53.121 52.037 -0.264 0.000 0.644 125 A CB -0.369 18.449 19.000 -0.303 0.000 0.805 125 A HN 0.486 nan 8.150 nan 0.000 0.449 126 Q N -0.687 119.051 119.800 -0.104 0.000 2.230 126 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 126 Q C 1.898 177.851 176.000 -0.078 0.000 0.963 126 Q CA 1.374 57.131 55.803 -0.076 0.000 0.866 126 Q CB -0.130 28.569 28.738 -0.066 0.000 0.931 126 Q HN 0.555 nan 8.270 nan 0.000 0.452 127 V N -0.338 119.517 119.914 -0.098 0.000 2.426 127 V HA 0.019 4.138 4.120 -0.001 0.000 0.242 127 V C 0.726 176.775 176.094 -0.075 0.000 1.036 127 V CA 0.834 63.079 62.300 -0.090 0.000 1.044 127 V CB 0.361 32.117 31.823 -0.112 0.000 0.688 127 V HN 0.210 nan 8.190 nan 0.000 0.462 128 E N -1.731 118.417 120.200 -0.087 0.000 2.388 128 E HA 0.517 4.867 4.350 -0.001 0.000 0.289 128 E C -0.088 176.454 176.600 -0.096 0.000 0.944 128 E CA 0.453 56.810 56.400 -0.071 0.000 0.792 128 E CB 2.270 31.928 29.700 -0.069 0.000 1.239 128 E HN 0.031 nan 8.360 nan 0.000 0.412 129 A N 2.878 125.663 122.820 -0.057 0.000 1.973 129 A HA 0.229 4.548 4.320 -0.001 0.000 0.210 129 A C 1.670 179.241 177.584 -0.023 0.000 1.200 129 A CA 1.345 53.342 52.037 -0.067 0.000 0.707 129 A CB -0.330 18.648 19.000 -0.038 0.000 0.862 129 A HN 0.611 nan 8.150 nan 0.000 0.461 130 G N 0.716 109.554 108.800 0.064 0.000 2.442 130 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.219 130 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.219 130 G C 1.795 176.831 174.900 0.227 0.000 1.141 130 G CA 1.705 46.913 45.100 0.180 0.000 0.763 130 G HN 0.806 nan 8.290 nan 0.000 0.554 131 S N 0.265 115.987 115.700 0.036 0.000 2.515 131 S HA 0.123 4.593 4.470 -0.001 0.000 0.231 131 S C 2.107 176.550 174.600 -0.263 0.000 0.987 131 S CA 0.438 58.434 58.200 -0.339 0.000 0.936 131 S CB -0.175 62.621 63.200 -0.674 0.000 0.766 131 S HN 0.294 nan 8.310 nan 0.000 0.528 132 L N 0.591 121.700 121.223 -0.188 0.000 2.376 132 L HA 0.008 4.347 4.340 -0.001 0.000 0.219 132 L C 2.812 179.663 176.870 -0.031 0.000 1.133 132 L CA 0.466 55.190 54.840 -0.194 0.000 0.816 132 L CB -0.639 41.197 42.059 -0.371 0.000 0.933 132 L HN 0.548 nan 8.230 nan 0.000 0.449 133 C N 1.583 120.899 119.300 0.028 0.000 2.442 133 C HA -0.062 4.397 4.460 -0.001 0.000 0.279 133 C C 0.300 175.359 174.990 0.115 0.000 1.237 133 C CA 1.098 60.163 59.018 0.079 0.000 1.722 133 C CB -1.280 26.557 27.740 0.161 0.000 2.056 133 C HN 0.295 nan 8.230 nan 0.000 0.469 134 P HA -0.077 nan 4.420 nan 0.000 0.218 134 P C 1.735 179.095 177.300 0.101 0.000 1.149 134 P CA 1.500 64.674 63.100 0.123 0.000 0.817 134 P CB -0.386 31.386 31.700 0.121 0.000 0.785 135 I N 0.028 120.624 120.570 0.043 0.000 2.179 135 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 135 I C 2.289 178.521 176.117 0.192 0.000 1.088 135 I CA 1.690 63.038 61.300 0.080 0.000 1.357 135 I CB -2.113 35.861 38.000 -0.042 0.000 1.051 135 I HN 0.014 nan 8.210 nan 0.000 0.409 136 T N 1.045 115.701 114.554 0.171 0.000 2.708 136 T HA -0.181 4.169 4.350 -0.001 0.000 0.266 136 T C 2.025 176.853 174.700 0.213 0.000 1.037 136 T CA 1.466 63.663 62.100 0.163 0.000 1.146 136 T CB -0.164 68.722 68.868 0.030 0.000 0.865 136 T HN 0.226 nan 8.240 nan 0.000 0.435 137 M N 0.616 120.334 119.600 0.196 0.000 2.175 137 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 137 M C 2.547 178.979 176.300 0.220 0.000 1.063 137 M CA 1.335 56.772 55.300 0.227 0.000 1.119 137 M CB -0.684 32.048 32.600 0.220 0.000 1.377 137 M HN 0.219 nan 8.290 nan 0.000 0.415 138 T N 0.302 114.997 114.554 0.234 0.000 2.777 138 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 138 T C 1.426 176.321 174.700 0.325 0.000 1.040 138 T CA 1.125 63.379 62.100 0.257 0.000 1.141 138 T CB -0.395 68.643 68.868 0.284 0.000 0.868 138 T HN 0.332 nan 8.240 nan 0.000 0.444 139 F N 2.023 122.112 119.950 0.231 0.000 2.134 139 F HA -0.041 4.486 4.527 -0.001 0.000 0.299 139 F C 2.436 178.460 175.800 0.373 0.000 1.097 139 F CA 1.199 59.400 58.000 0.334 0.000 1.264 139 F CB -0.310 38.799 39.000 0.182 0.000 1.001 139 F HN 0.140 nan 8.300 nan 0.000 0.479 140 A N 0.000 122.996 122.820 0.292 0.000 1.930 140 A HA 0.031 4.351 4.320 -0.001 0.000 0.217 140 A C 2.229 179.816 177.584 0.005 0.000 1.175 140 A CA 1.406 53.520 52.037 0.128 0.000 0.627 140 A CB -1.311 17.809 19.000 0.201 0.000 0.815 140 A HN 0.469 nan 8.150 nan 0.000 0.443 141 A N -1.471 121.379 122.820 0.050 0.000 2.072 141 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 141 A C 2.161 179.699 177.584 -0.078 0.000 1.156 141 A CA 1.712 53.758 52.037 0.015 0.000 0.701 141 A CB -0.869 18.183 19.000 0.087 0.000 0.816 141 A HN 0.370 nan 8.150 nan 0.000 0.458 142 T N 1.259 115.740 114.554 -0.122 0.000 2.684 142 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 142 T C -0.314 174.150 174.700 -0.394 0.000 1.036 142 T CA 1.881 63.867 62.100 -0.189 0.000 1.148 142 T CB -0.980 67.835 68.868 -0.088 0.000 0.863 142 T HN 0.431 nan 8.240 nan 0.000 0.436 143 P HA -0.005 nan 4.420 nan 0.000 0.217 143 P C 1.714 178.798 177.300 -0.360 0.000 1.150 143 P CA 0.678 63.358 63.100 -0.700 0.000 0.832 143 P CB -0.200 30.873 31.700 -1.045 0.000 0.787 144 L N -0.792 120.266 121.223 -0.275 0.000 2.046 144 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 144 L C 2.420 179.209 176.870 -0.134 0.000 1.077 144 L CA 1.626 56.370 54.840 -0.159 0.000 0.747 144 L CB -1.413 40.587 42.059 -0.099 0.000 0.896 144 L HN -0.156 nan 8.230 nan 0.000 0.432 145 L N -1.229 119.920 121.223 -0.123 0.000 2.056 145 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 145 L C 2.439 179.224 176.870 -0.142 0.000 1.078 145 L CA 1.358 56.126 54.840 -0.120 0.000 0.749 145 L CB -0.195 41.836 42.059 -0.047 0.000 0.901 145 L HN 0.345 nan 8.230 nan 0.000 0.433 146 L N -0.738 120.407 121.223 -0.129 0.000 2.191 146 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 146 L C 2.537 179.342 176.870 -0.109 0.000 1.103 146 L CA 1.062 55.838 54.840 -0.107 0.000 0.769 146 L CB -0.419 41.579 42.059 -0.100 0.000 0.908 146 L HN 0.418 nan 8.230 nan 0.000 0.438 147 Q N -0.050 119.675 119.800 -0.124 0.000 2.187 147 Q HA -0.102 4.237 4.340 -0.001 0.000 0.199 147 Q C 1.691 177.635 176.000 -0.094 0.000 0.957 147 Q CA 0.979 56.720 55.803 -0.102 0.000 0.857 147 Q CB 0.312 28.986 28.738 -0.108 0.000 0.929 147 Q HN 0.445 nan 8.270 nan 0.000 0.453 148 M N 0.658 120.189 119.600 -0.114 0.000 2.347 148 M HA 0.202 4.682 4.480 -0.001 0.000 0.324 148 M C -0.316 175.891 176.300 -0.155 0.000 1.028 148 M CA -0.395 54.838 55.300 -0.112 0.000 0.988 148 M CB 0.380 32.918 32.600 -0.103 0.000 1.528 148 M HN 0.096 nan 8.290 nan 0.000 0.550 149 L N 4.588 125.696 121.223 -0.193 0.000 2.628 149 L HA 0.095 4.435 4.340 -0.001 0.000 0.274 149 L C -2.211 174.507 176.870 -0.252 0.000 1.209 149 L CA -0.494 54.166 54.840 -0.301 0.000 0.930 149 L CB -0.173 41.750 42.059 -0.226 0.000 1.183 149 L HN -0.047 nan 8.230 nan 0.000 0.492 150 P HA 0.171 nan 4.420 nan 0.000 0.275 150 P C 0.148 177.367 177.300 -0.135 0.000 1.228 150 P CA 0.081 63.099 63.100 -0.137 0.000 0.786 150 P CB 0.894 32.538 31.700 -0.093 0.000 0.927 151 A N 4.900 127.663 122.820 -0.095 0.000 1.917 151 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 151 A C -0.466 176.970 177.584 -0.247 0.000 1.182 151 A CA 1.890 53.853 52.037 -0.123 0.000 0.633 151 A CB -2.491 16.476 19.000 -0.056 0.000 0.819 151 A HN 0.519 nan 8.150 nan 0.000 0.448 152 P HA -0.034 nan 4.420 nan 0.000 0.231 152 P C 0.074 176.786 177.300 -0.980 0.000 1.158 152 P CA 0.786 63.439 63.100 -0.744 0.000 0.763 152 P CB -0.121 30.941 31.700 -1.064 0.000 0.805 153 F N -1.888 117.827 119.950 -0.392 0.000 2.698 153 F HA 0.296 4.823 4.527 -0.001 0.000 0.304 153 F C 2.011 177.655 175.800 -0.260 0.000 1.108 153 F CA -0.414 57.286 58.000 -0.500 0.000 1.263 153 F CB -0.449 37.872 39.000 -1.132 0.000 1.013 153 F HN -0.162 nan 8.300 nan 0.000 0.532 154 Q N 1.319 121.081 119.800 -0.064 0.000 2.152 154 Q HA -0.247 4.093 4.340 -0.001 0.000 0.206 154 Q C 1.400 177.459 176.000 0.099 0.000 0.985 154 Q CA 2.145 57.947 55.803 -0.001 0.000 0.863 154 Q CB -0.057 28.664 28.738 -0.028 0.000 0.904 154 Q HN 0.511 nan 8.270 nan 0.000 0.422 155 D N -1.625 118.872 120.400 0.162 0.000 2.352 155 D HA -0.143 4.496 4.640 -0.001 0.000 0.232 155 D C 0.525 177.017 176.300 0.319 0.000 1.055 155 D CA 0.248 54.364 54.000 0.194 0.000 0.891 155 D CB -0.572 40.314 40.800 0.142 0.000 0.897 155 D HN 0.327 nan 8.370 nan 0.000 0.529 156 W N 1.471 122.800 121.300 0.048 0.000 2.905 156 W HA 0.072 4.732 4.660 -0.000 0.000 0.251 156 W C 2.361 178.900 176.519 0.033 0.000 1.305 156 W CA 1.017 58.399 57.345 0.061 0.000 1.465 156 W CB -0.697 28.814 29.460 0.084 0.000 1.122 156 W HN 0.152 nan 8.180 nan 0.000 0.659 157 T N -3.486 111.200 114.554 0.220 0.000 2.708 157 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 157 T C 1.765 176.522 174.700 0.095 0.000 1.037 157 T CA 2.163 64.340 62.100 0.128 0.000 1.146 157 T CB -0.851 68.061 68.868 0.072 0.000 0.865 157 T HN -0.028 nan 8.240 nan 0.000 0.435 158 T N 3.244 117.843 114.554 0.075 0.000 2.622 158 T HA -0.023 4.327 4.350 -0.001 0.000 0.266 158 T C -0.357 174.368 174.700 0.041 0.000 1.047 158 T CA 1.689 63.816 62.100 0.046 0.000 1.159 158 T CB -1.347 67.537 68.868 0.028 0.000 0.863 158 T HN 0.456 nan 8.240 nan 0.000 0.422 159 P HA 0.044 nan 4.420 nan 0.000 0.218 159 P C 1.527 178.861 177.300 0.057 0.000 1.149 159 P CA 0.837 63.940 63.100 0.005 0.000 0.817 159 P CB -0.318 31.328 31.700 -0.090 0.000 0.785 160 L N -1.566 119.711 121.223 0.091 0.000 2.265 160 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 160 L C 1.637 178.562 176.870 0.093 0.000 1.117 160 L CA 0.810 55.726 54.840 0.127 0.000 0.782 160 L CB -0.550 41.601 42.059 0.154 0.000 0.914 160 L HN -0.029 nan 8.230 nan 0.000 0.441 161 L N -1.309 119.958 121.223 0.073 0.000 2.769 161 L HA 0.167 4.507 4.340 -0.001 0.000 0.240 161 L C 1.230 178.125 176.870 0.042 0.000 1.163 161 L CA 0.265 55.134 54.840 0.048 0.000 0.962 161 L CB -0.619 41.471 42.059 0.052 0.000 1.258 161 L HN 0.156 nan 8.230 nan 0.000 0.513 162 S N -0.901 114.847 115.700 0.079 0.000 2.681 162 S HA 0.267 4.737 4.470 -0.001 0.000 0.270 162 S C 0.632 175.331 174.600 0.165 0.000 1.209 162 S CA -0.192 58.065 58.200 0.095 0.000 0.988 162 S CB 1.212 64.463 63.200 0.085 0.000 1.006 162 S HN 0.316 nan 8.310 nan 0.000 0.558 163 D N -0.608 119.875 120.400 0.139 0.000 2.559 163 D HA 0.165 4.805 4.640 -0.001 0.000 0.234 163 D C -0.337 176.043 176.300 0.133 0.000 1.226 163 D CA -0.465 53.642 54.000 0.178 0.000 0.830 163 D CB -0.039 40.824 40.800 0.106 0.000 1.028 163 D HN 0.196 nan 8.370 nan 0.000 0.492 164 R N 1.226 121.799 120.500 0.122 0.000 2.320 164 R HA 0.214 4.553 4.340 -0.001 0.000 0.319 164 R C -1.047 175.302 176.300 0.081 0.000 0.969 164 R CA -0.947 55.200 56.100 0.078 0.000 0.857 164 R CB 0.365 30.690 30.300 0.041 0.000 1.160 164 R HN 0.159 nan 8.270 nan 0.000 0.491 165 Y N 2.296 122.556 120.300 -0.066 0.000 2.425 165 Y HA 0.134 4.683 4.550 -0.001 0.000 0.331 165 Y C -0.294 175.591 175.900 -0.025 0.000 1.157 165 Y CA 0.029 58.078 58.100 -0.084 0.000 1.372 165 Y CB 0.637 39.025 38.460 -0.119 0.000 1.253 165 Y HN 0.424 nan 8.280 nan 0.000 0.536 166 D N 3.487 123.527 120.400 -0.600 0.000 2.476 166 D HA 0.139 4.778 4.640 -0.001 0.000 0.251 166 D C -0.250 175.691 176.300 -0.598 0.000 1.291 166 D CA -0.207 53.523 54.000 -0.449 0.000 0.939 166 D CB 1.160 41.855 40.800 -0.175 0.000 1.221 166 D HN 0.587 nan 8.370 nan 0.000 0.567 167 S N 2.099 117.412 115.700 -0.645 0.000 2.631 167 S HA 0.058 4.528 4.470 -0.001 0.000 0.217 167 S C 0.779 175.253 174.600 -0.211 0.000 0.958 167 S CA -0.294 57.646 58.200 -0.434 0.000 0.920 167 S CB -0.367 62.574 63.200 -0.431 0.000 0.776 167 S HN 0.471 nan 8.310 nan 0.000 0.517 168 H N 1.196 120.154 119.070 -0.188 0.000 2.848 168 H HA 0.109 4.665 4.556 -0.001 0.000 0.341 168 H C -0.189 175.112 175.328 -0.046 0.000 1.060 168 H CA -0.283 55.701 56.048 -0.107 0.000 1.444 168 H CB 0.719 30.407 29.762 -0.123 0.000 1.446 168 H HN 0.188 nan 8.280 nan 0.000 0.583 169 L N 5.905 127.192 121.223 0.106 0.000 2.384 169 L HA 0.187 4.526 4.340 -0.001 0.000 0.258 169 L C -0.908 175.957 176.870 -0.010 0.000 1.266 169 L CA 0.514 55.458 54.840 0.172 0.000 1.162 169 L CB -1.162 41.027 42.059 0.216 0.000 1.375 169 L HN 0.372 nan 8.230 nan 0.000 0.420 170 L N 3.551 124.636 121.223 -0.229 0.000 2.415 170 L HA 0.592 4.931 4.340 -0.001 0.000 0.256 170 L C -2.291 174.104 176.870 -0.792 0.000 1.010 170 L CA -2.145 52.344 54.840 -0.585 0.000 0.826 170 L CB 2.248 44.137 42.059 -0.283 0.000 1.405 170 L HN 0.168 nan 8.230 nan 0.000 0.410 171 P HA 0.002 nan 4.420 nan 0.000 0.266 171 P C 0.606 177.814 177.300 -0.153 0.000 1.195 171 P CA 0.158 63.097 63.100 -0.269 0.000 0.768 171 P CB 0.729 32.386 31.700 -0.072 0.000 0.838 172 G N 3.051 111.781 108.800 -0.116 0.000 2.469 172 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 172 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 172 G C 1.699 176.195 174.900 -0.674 0.000 1.136 172 G CA 0.906 45.583 45.100 -0.704 0.000 0.759 172 G HN 0.643 nan 8.290 nan 0.000 0.562 173 G N -0.194 108.423 108.800 -0.305 0.000 2.470 173 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.220 173 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.220 173 G C 1.639 176.475 174.900 -0.107 0.000 1.121 173 G CA 0.729 45.772 45.100 -0.094 0.000 0.766 173 G HN 0.545 nan 8.290 nan 0.000 0.553 174 Q N -0.519 119.197 119.800 -0.141 0.000 2.360 174 Q HA 0.173 4.512 4.340 -0.001 0.000 0.202 174 Q C 0.528 176.417 176.000 -0.185 0.000 0.915 174 Q CA 0.158 55.874 55.803 -0.144 0.000 0.943 174 Q CB 0.403 29.051 28.738 -0.150 0.000 1.064 174 Q HN 0.329 nan 8.270 nan 0.000 0.511 175 K N -0.184 120.085 120.400 -0.218 0.000 2.139 175 K HA 0.353 4.672 4.320 -0.001 0.000 0.243 175 K C 0.589 177.087 176.600 -0.169 0.000 0.983 175 K CA -0.563 55.598 56.287 -0.211 0.000 0.890 175 K CB 1.075 33.440 32.500 -0.225 0.000 1.090 175 K HN -0.078 nan 8.250 nan 0.000 0.445 176 R N 0.030 120.446 120.500 -0.140 0.000 2.276 176 R HA 0.119 4.458 4.340 -0.001 0.000 0.196 176 R C 0.522 176.793 176.300 -0.049 0.000 0.961 176 R CA 0.062 56.110 56.100 -0.087 0.000 1.024 176 R CB 0.539 30.795 30.300 -0.073 0.000 0.940 176 R HN 0.697 nan 8.270 nan 0.000 0.480 177 G N -0.157 108.605 108.800 -0.064 0.000 2.601 177 G HA2 0.551 4.510 3.960 -0.001 0.000 0.291 177 G HA3 0.551 4.510 3.960 -0.001 0.000 0.291 177 G C -1.720 173.160 174.900 -0.035 0.000 1.456 177 G CA -0.701 44.401 45.100 0.004 0.000 0.804 177 G HN -0.056 nan 8.290 nan 0.000 0.499 178 L N -0.375 120.871 121.223 0.039 0.000 2.376 178 L HA 0.686 5.026 4.340 -0.001 0.000 0.258 178 L C -0.813 176.128 176.870 0.118 0.000 1.013 178 L CA -0.927 53.913 54.840 0.001 0.000 0.822 178 L CB 2.583 44.603 42.059 -0.066 0.000 1.388 178 L HN 0.338 nan 8.230 nan 0.000 0.413 179 L N 2.754 124.044 121.223 0.111 0.000 2.381 179 L HA 0.612 4.951 4.340 -0.001 0.000 0.268 179 L C -1.083 175.854 176.870 0.111 0.000 0.997 179 L CA -0.738 54.185 54.840 0.138 0.000 0.818 179 L CB 2.492 44.634 42.059 0.138 0.000 1.310 179 L HN 0.308 nan 8.230 nan 0.000 0.416 180 I N 1.365 121.996 120.570 0.102 0.000 2.465 180 I HA 0.580 4.750 4.170 -0.001 0.000 0.291 180 I C 0.430 176.508 176.117 -0.065 0.000 1.014 180 I CA -0.215 61.110 61.300 0.042 0.000 1.093 180 I CB 1.537 39.624 38.000 0.146 0.000 1.267 180 I HN 0.649 nan 8.210 nan 0.000 0.431 181 G N 5.360 113.954 108.800 -0.343 0.000 2.887 181 G HA2 0.839 4.799 3.960 -0.001 0.000 0.277 181 G HA3 0.839 4.799 3.960 -0.001 0.000 0.277 181 G C -1.001 173.875 174.900 -0.041 0.000 1.346 181 G CA -0.703 44.218 45.100 -0.299 0.000 1.058 181 G HN 0.439 nan 8.290 nan 0.000 0.535 182 M N 0.257 119.922 119.600 0.110 0.000 2.213 182 M HA 0.424 4.903 4.480 -0.001 0.000 0.286 182 M C -0.300 176.091 176.300 0.151 0.000 1.008 182 M CA -0.452 54.937 55.300 0.148 0.000 0.937 182 M CB 2.775 35.457 32.600 0.138 0.000 1.600 182 M HN 0.618 nan 8.290 nan 0.000 0.450 183 G N 2.772 111.722 108.800 0.249 0.000 2.788 183 G HA2 0.569 4.529 3.960 -0.001 0.000 0.327 183 G HA3 0.569 4.529 3.960 -0.001 0.000 0.327 183 G C -0.353 174.706 174.900 0.265 0.000 1.249 183 G CA -0.273 45.062 45.100 0.391 0.000 1.063 183 G HN 0.711 nan 8.290 nan 0.000 0.497 184 M N 0.513 120.216 119.600 0.171 0.000 2.971 184 M HA 0.211 4.691 4.480 -0.001 0.000 0.238 184 M C 1.391 177.747 176.300 0.094 0.000 1.582 184 M CA 0.638 55.999 55.300 0.101 0.000 1.223 184 M CB 0.227 32.843 32.600 0.028 0.000 1.238 184 M HN 0.274 nan 8.290 nan 0.000 0.568 185 T N 2.362 116.979 114.554 0.105 0.000 2.902 185 T HA 0.136 4.486 4.350 -0.001 0.000 0.301 185 T C -0.116 174.700 174.700 0.193 0.000 1.012 185 T CA 0.324 62.511 62.100 0.144 0.000 1.151 185 T CB 0.228 69.202 68.868 0.177 0.000 0.946 185 T HN 0.178 nan 8.240 nan 0.000 0.542 186 E N 1.521 121.808 120.200 0.145 0.000 2.299 186 E HA 0.301 4.651 4.350 -0.001 0.000 0.260 186 E C 0.770 177.489 176.600 0.199 0.000 0.944 186 E CA -0.983 55.458 56.400 0.069 0.000 0.815 186 E CB 1.553 31.177 29.700 -0.126 0.000 1.252 186 E HN 0.444 nan 8.360 nan 0.000 0.418 187 K N 0.663 121.172 120.400 0.181 0.000 2.152 187 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 187 K C 1.880 178.366 176.600 -0.189 0.000 1.048 187 K CA 1.337 57.349 56.287 -0.459 0.000 0.933 187 K CB 0.047 32.113 32.500 -0.723 0.000 0.721 187 K HN 0.430 nan 8.250 nan 0.000 0.447 188 Q N 0.133 119.911 119.800 -0.037 0.000 2.451 188 Q HA 0.049 4.388 4.340 -0.001 0.000 0.206 188 Q C 0.295 176.309 176.000 0.023 0.000 0.947 188 Q CA 0.856 56.650 55.803 -0.016 0.000 0.937 188 Q CB 0.778 29.517 28.738 0.001 0.000 1.025 188 Q HN 0.163 nan 8.270 nan 0.000 0.511 189 G N -1.189 107.645 108.800 0.057 0.000 2.380 189 G HA2 0.375 4.335 3.960 -0.001 0.000 0.305 189 G HA3 0.375 4.335 3.960 -0.001 0.000 0.305 189 G C -0.244 174.701 174.900 0.075 0.000 1.672 189 G CA -0.291 44.847 45.100 0.063 0.000 0.904 189 G HN 0.084 nan 8.290 nan 0.000 0.686 190 G N -0.017 108.819 108.800 0.060 0.000 2.720 190 G HA2 0.243 4.203 3.960 -0.001 0.000 0.204 190 G HA3 0.243 4.203 3.960 -0.001 0.000 0.204 190 G C 1.691 176.581 174.900 -0.017 0.000 1.113 190 G CA 1.571 46.681 45.100 0.018 0.000 0.805 190 G HN 0.769 nan 8.290 nan 0.000 0.536 191 S N 0.579 116.273 115.700 -0.010 0.000 2.355 191 S HA -0.061 4.408 4.470 -0.001 0.000 0.222 191 S C 0.959 175.558 174.600 -0.002 0.000 1.031 191 S CA 0.973 59.166 58.200 -0.012 0.000 0.993 191 S CB -0.080 63.117 63.200 -0.004 0.000 0.859 191 S HN 0.375 nan 8.310 nan 0.000 0.453 192 D N 1.902 122.306 120.400 0.007 0.000 2.524 192 D HA 0.214 4.854 4.640 -0.001 0.000 0.222 192 D C 1.013 177.322 176.300 0.014 0.000 1.142 192 D CA -0.316 53.690 54.000 0.010 0.000 0.973 192 D CB 0.642 41.449 40.800 0.011 0.000 1.025 192 D HN 0.110 nan 8.370 nan 0.000 0.519 193 V N 1.513 121.435 119.914 0.013 0.000 3.041 193 V HA -0.091 4.029 4.120 -0.001 0.000 0.260 193 V C 2.036 178.143 176.094 0.022 0.000 1.105 193 V CA 0.674 62.986 62.300 0.019 0.000 1.125 193 V CB -0.755 31.078 31.823 0.017 0.000 0.730 193 V HN 0.425 nan 8.190 nan 0.000 0.479 194 M N 2.129 121.740 119.600 0.017 0.000 2.358 194 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 194 M C 2.266 178.578 176.300 0.021 0.000 1.064 194 M CA 1.905 57.216 55.300 0.018 0.000 1.093 194 M CB -0.491 32.117 32.600 0.013 0.000 1.401 194 M HN 0.748 nan 8.290 nan 0.000 0.440 195 S N -0.551 115.161 115.700 0.021 0.000 2.607 195 S HA -0.000 4.470 4.470 -0.001 0.000 0.224 195 S C 0.573 175.191 174.600 0.030 0.000 0.969 195 S CA -0.175 58.039 58.200 0.023 0.000 0.927 195 S CB -0.674 62.539 63.200 0.021 0.000 0.772 195 S HN 0.348 nan 8.310 nan 0.000 0.533 196 N N 2.985 121.704 118.700 0.031 0.000 2.293 196 N HA 0.033 4.773 4.740 -0.001 0.000 0.253 196 N C 1.034 176.568 175.510 0.041 0.000 1.248 196 N CA 1.101 54.171 53.050 0.033 0.000 0.845 196 N CB 0.944 39.452 38.487 0.034 0.000 1.073 196 N HN 0.586 nan 8.380 nan 0.000 0.464 197 T N -3.087 111.500 114.554 0.054 0.000 3.044 197 T HA 0.119 4.468 4.350 -0.001 0.000 0.260 197 T C 0.538 175.277 174.700 0.066 0.000 1.019 197 T CA -0.336 61.801 62.100 0.061 0.000 0.921 197 T CB -0.186 68.725 68.868 0.071 0.000 1.053 197 T HN 0.253 nan 8.240 nan 0.000 0.533 198 T N 3.480 118.073 114.554 0.064 0.000 2.908 198 T HA 0.328 4.678 4.350 -0.001 0.000 0.301 198 T C -0.015 174.693 174.700 0.014 0.000 1.019 198 T CA 0.106 62.244 62.100 0.064 0.000 1.152 198 T CB 0.494 69.409 68.868 0.078 0.000 0.966 198 T HN 0.318 nan 8.240 nan 0.000 0.540 199 R N 1.676 122.169 120.500 -0.011 0.000 2.599 199 R HA 0.663 5.003 4.340 -0.001 0.000 0.295 199 R C -1.268 174.970 176.300 -0.103 0.000 0.963 199 R CA -0.510 55.573 56.100 -0.028 0.000 0.883 199 R CB 1.228 31.528 30.300 -0.001 0.000 1.171 199 R HN 0.686 nan 8.270 nan 0.000 0.450 200 A N 2.266 125.020 122.820 -0.110 0.000 2.330 200 A HA 0.681 5.001 4.320 -0.001 0.000 0.313 200 A C -0.912 176.729 177.584 0.095 0.000 1.124 200 A CA -0.308 51.623 52.037 -0.177 0.000 0.774 200 A CB 1.165 19.811 19.000 -0.590 0.000 1.198 200 A HN 0.839 nan 8.150 nan 0.000 0.465 201 E N 1.946 122.186 120.200 0.067 0.000 2.158 201 E HA 0.540 4.890 4.350 -0.001 0.000 0.271 201 E C -0.165 176.350 176.600 -0.141 0.000 0.911 201 E CA -0.952 55.463 56.400 0.026 0.000 0.767 201 E CB 0.972 30.650 29.700 -0.038 0.000 1.120 201 E HN 0.798 nan 8.360 nan 0.000 0.405 202 R N 2.141 122.413 120.500 -0.379 0.000 2.489 202 R HA 0.255 4.595 4.340 -0.001 0.000 0.287 202 R C -0.574 175.467 176.300 -0.431 0.000 1.053 202 R CA -0.404 55.182 56.100 -0.856 0.000 1.036 202 R CB 0.190 30.037 30.300 -0.755 0.000 0.966 202 R HN 0.430 nan 8.270 nan 0.000 0.432 203 L N 3.229 124.208 121.223 -0.408 0.000 2.431 203 L HA 0.233 4.572 4.340 -0.001 0.000 0.260 203 L C 1.919 178.682 176.870 -0.180 0.000 1.098 203 L CA 0.632 55.333 54.840 -0.230 0.000 0.800 203 L CB 0.746 42.689 42.059 -0.193 0.000 1.210 203 L HN 0.893 nan 8.230 nan 0.000 0.465 204 E N 0.670 120.802 120.200 -0.112 0.000 2.114 204 E HA -0.255 4.095 4.350 -0.001 0.000 0.199 204 E C 1.050 177.614 176.600 -0.060 0.000 1.008 204 E CA 1.748 58.103 56.400 -0.075 0.000 0.810 204 E CB -0.960 28.711 29.700 -0.048 0.000 0.739 204 E HN 0.799 nan 8.360 nan 0.000 0.456 205 D N -1.943 118.425 120.400 -0.053 0.000 2.352 205 D HA 0.255 4.895 4.640 -0.001 0.000 0.232 205 D C 1.476 177.770 176.300 -0.010 0.000 1.055 205 D CA 1.152 55.143 54.000 -0.014 0.000 0.891 205 D CB -0.014 40.798 40.800 0.019 0.000 0.897 205 D HN 0.899 nan 8.370 nan 0.000 0.529 206 G N 0.037 108.792 108.800 -0.075 0.000 2.258 206 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.233 206 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.233 206 G C 0.560 175.412 174.900 -0.081 0.000 1.006 206 G CA 0.441 45.508 45.100 -0.054 0.000 0.620 206 G HN 0.858 nan 8.290 nan 0.000 0.511 207 S N -0.266 115.336 115.700 -0.164 0.000 2.617 207 S HA 0.678 5.148 4.470 -0.001 0.000 0.259 207 S C -0.183 174.255 174.600 -0.270 0.000 1.301 207 S CA 0.010 57.996 58.200 -0.357 0.000 0.984 207 S CB 1.121 63.838 63.200 -0.804 0.000 0.954 207 S HN 0.651 nan 8.310 nan 0.000 0.572 208 Y N -0.436 119.638 120.300 -0.375 0.000 2.536 208 Y HA 0.558 5.107 4.550 -0.000 0.000 0.347 208 Y C 0.370 176.055 175.900 -0.357 0.000 1.000 208 Y CA -1.035 56.891 58.100 -0.290 0.000 1.051 208 Y CB 1.717 40.005 38.460 -0.285 0.000 1.259 208 Y HN 0.798 nan 8.280 nan 0.000 0.468 209 R N 2.565 122.985 120.500 -0.133 0.000 2.294 209 R HA 0.651 4.991 4.340 -0.001 0.000 0.319 209 R C -2.007 174.184 176.300 -0.182 0.000 0.984 209 R CA -0.573 55.435 56.100 -0.153 0.000 0.861 209 R CB 0.436 30.670 30.300 -0.110 0.000 1.104 209 R HN 0.608 nan 8.270 nan 0.000 0.451 210 L N 4.658 125.742 121.223 -0.231 0.000 2.317 210 L HA 0.467 4.806 4.340 -0.001 0.000 0.281 210 L C -0.788 176.027 176.870 -0.091 0.000 1.024 210 L CA -0.606 54.074 54.840 -0.267 0.000 0.810 210 L CB 2.102 43.847 42.059 -0.523 0.000 1.240 210 L HN 0.385 nan 8.230 nan 0.000 0.427 211 V N 2.441 122.338 119.914 -0.028 0.000 2.577 211 V HA 0.993 5.113 4.120 -0.001 0.000 0.303 211 V C 0.271 176.438 176.094 0.121 0.000 1.042 211 V CA 0.028 62.367 62.300 0.065 0.000 0.872 211 V CB 1.048 32.886 31.823 0.025 0.000 0.998 211 V HN 0.952 nan 8.190 nan 0.000 0.423 212 G N 3.748 112.679 108.800 0.219 0.000 2.455 212 G HA2 0.460 4.419 3.960 -0.001 0.000 0.223 212 G HA3 0.460 4.419 3.960 -0.001 0.000 0.223 212 G C -1.165 173.867 174.900 0.221 0.000 1.226 212 G CA 0.101 45.343 45.100 0.237 0.000 0.948 212 G HN 1.367 nan 8.290 nan 0.000 0.478 213 H N -1.242 117.855 119.070 0.045 0.000 3.017 213 H HA 0.871 5.426 4.556 -0.001 0.000 0.346 213 H C -1.416 173.876 175.328 -0.060 0.000 1.286 213 H CA -1.091 54.850 56.048 -0.179 0.000 1.120 213 H CB 2.177 31.868 29.762 -0.117 0.000 1.860 213 H HN 0.433 nan 8.280 nan 0.000 0.542 214 K N 1.258 121.477 120.400 -0.301 0.000 2.427 214 K HA 0.043 4.362 4.320 -0.001 0.000 0.252 214 K C -0.632 176.072 176.600 0.173 0.000 0.931 214 K CA -0.627 55.599 56.287 -0.100 0.000 0.793 214 K CB 1.923 34.480 32.500 0.096 0.000 1.211 214 K HN 0.951 nan 8.250 nan 0.000 0.426 215 W N 3.311 124.660 121.300 0.081 0.000 2.576 215 W HA 0.169 4.829 4.660 -0.000 0.000 0.275 215 W C -0.790 175.756 176.519 0.046 0.000 1.241 215 W CA 0.198 57.630 57.345 0.144 0.000 1.328 215 W CB 0.455 30.079 29.460 0.274 0.000 1.092 215 W HN 0.375 nan 8.180 nan 0.000 0.586 216 F N 0.840 120.852 119.950 0.103 0.000 2.553 216 F HA 0.271 4.798 4.527 -0.001 0.000 0.335 216 F C -1.034 174.862 175.800 0.160 0.000 1.148 216 F CA -0.846 57.148 58.000 -0.011 0.000 0.963 216 F CB 1.097 40.052 39.000 -0.076 0.000 1.217 216 F HN -0.318 nan 8.300 nan 0.000 0.441 217 F N 3.236 123.239 119.950 0.088 0.000 2.824 217 F HA 0.448 4.975 4.527 -0.001 0.000 0.375 217 F C -0.238 175.640 175.800 0.130 0.000 1.190 217 F CA -0.341 57.709 58.000 0.083 0.000 1.180 217 F CB 0.509 39.485 39.000 -0.040 0.000 1.477 217 F HN 0.235 nan 8.300 nan 0.000 0.542 218 S N 2.083 117.857 115.700 0.125 0.000 2.603 218 S HA 0.350 4.819 4.470 -0.001 0.000 0.268 218 S C 0.167 174.861 174.600 0.156 0.000 1.317 218 S CA -0.328 57.971 58.200 0.165 0.000 1.012 218 S CB 1.434 64.774 63.200 0.232 0.000 0.926 218 S HN 0.698 nan 8.310 nan 0.000 0.539 219 V N 1.658 121.695 119.914 0.205 0.000 6.016 219 V HA -0.140 3.980 4.120 -0.001 0.000 0.265 219 V C -1.535 174.741 176.094 0.303 0.000 0.621 219 V CA 0.570 63.014 62.300 0.240 0.000 0.592 219 V CB -1.751 30.192 31.823 0.199 0.000 0.298 219 V HN 0.791 nan 8.190 nan 0.000 0.615 220 P HA -0.190 nan 4.420 nan 0.000 0.222 220 P C 1.546 179.081 177.300 0.392 0.000 1.147 220 P CA 1.770 65.103 63.100 0.387 0.000 0.790 220 P CB 0.161 32.037 31.700 0.294 0.000 0.780 221 Q N -0.191 119.808 119.800 0.331 0.000 2.482 221 Q HA 0.048 4.387 4.340 -0.001 0.000 0.209 221 Q C 0.333 176.496 176.000 0.272 0.000 0.961 221 Q CA 0.398 56.385 55.803 0.307 0.000 0.945 221 Q CB -0.816 28.131 28.738 0.348 0.000 1.012 221 Q HN 0.066 nan 8.270 nan 0.000 0.515 222 S N 2.485 118.328 115.700 0.237 0.000 2.566 222 S HA -0.024 4.446 4.470 -0.001 0.000 0.280 222 S C 0.595 175.295 174.600 0.167 0.000 1.343 222 S CA 0.011 58.273 58.200 0.103 0.000 1.036 222 S CB 0.632 63.689 63.200 -0.237 0.000 0.866 222 S HN 0.354 nan 8.310 nan 0.000 0.526 223 D N 0.785 121.274 120.400 0.149 0.000 2.269 223 D HA 0.161 4.800 4.640 -0.001 0.000 0.208 223 D C 0.559 177.070 176.300 0.352 0.000 0.963 223 D CA 0.767 54.899 54.000 0.220 0.000 0.864 223 D CB 0.177 40.987 40.800 0.018 0.000 0.936 223 D HN 0.529 nan 8.370 nan 0.000 0.505 224 A N -0.214 122.736 122.820 0.217 0.000 2.610 224 A HA 0.563 4.882 4.320 -0.001 0.000 0.291 224 A C -1.637 175.899 177.584 -0.079 0.000 1.086 224 A CA -0.701 51.356 52.037 0.034 0.000 0.677 224 A CB 1.333 20.143 19.000 -0.317 0.000 1.278 224 A HN 0.049 nan 8.150 nan 0.000 0.414 225 H N -0.399 118.663 119.070 -0.014 0.000 2.637 225 H HA 0.616 5.171 4.556 -0.001 0.000 0.363 225 H C -0.806 174.550 175.328 0.046 0.000 1.131 225 H CA -0.483 55.587 56.048 0.037 0.000 1.183 225 H CB 1.568 31.381 29.762 0.086 0.000 1.637 225 H HN 0.527 nan 8.280 nan 0.000 0.531 226 L N 3.049 124.385 121.223 0.188 0.000 2.281 226 L HA 0.438 4.777 4.340 -0.001 0.000 0.285 226 L C -0.638 176.356 176.870 0.207 0.000 1.074 226 L CA -0.684 54.263 54.840 0.179 0.000 0.817 226 L CB 0.619 42.764 42.059 0.142 0.000 1.168 226 L HN 0.260 nan 8.230 nan 0.000 0.434 227 V N 5.043 125.080 119.914 0.204 0.000 2.577 227 V HA 0.365 4.485 4.120 -0.001 0.000 0.303 227 V C 0.111 176.322 176.094 0.195 0.000 1.042 227 V CA -0.541 61.884 62.300 0.209 0.000 0.872 227 V CB 2.333 34.230 31.823 0.122 0.000 0.998 227 V HN 0.550 nan 8.190 nan 0.000 0.423 228 L N 4.371 125.688 121.223 0.158 0.000 2.331 228 L HA 0.764 5.104 4.340 -0.001 0.000 0.278 228 L C 0.395 177.351 176.870 0.144 0.000 1.106 228 L CA 0.200 55.123 54.840 0.137 0.000 0.824 228 L CB 1.171 43.282 42.059 0.086 0.000 1.142 228 L HN 0.833 nan 8.230 nan 0.000 0.443 229 A N 3.352 126.298 122.820 0.210 0.000 2.572 229 A HA 0.582 4.902 4.320 -0.001 0.000 0.295 229 A C -1.225 176.456 177.584 0.161 0.000 1.072 229 A CA -0.781 51.333 52.037 0.127 0.000 0.691 229 A CB 1.722 20.692 19.000 -0.051 0.000 1.291 229 A HN 0.533 nan 8.150 nan 0.000 0.404 230 Q N 1.178 121.028 119.800 0.083 0.000 2.288 230 Q HA 0.490 4.829 4.340 -0.001 0.000 0.254 230 Q C 0.265 176.324 176.000 0.098 0.000 0.932 230 Q CA 0.260 56.111 55.803 0.080 0.000 0.902 230 Q CB 1.358 30.126 28.738 0.051 0.000 1.203 230 Q HN 0.937 nan 8.270 nan 0.000 0.415 231 T N -2.981 111.640 114.554 0.112 0.000 2.888 231 T HA 0.605 4.954 4.350 -0.001 0.000 0.288 231 T C 1.021 175.781 174.700 0.100 0.000 1.063 231 T CA -0.271 61.913 62.100 0.141 0.000 1.010 231 T CB 1.300 70.289 68.868 0.201 0.000 1.214 231 T HN 0.439 nan 8.240 nan 0.000 0.533 232 A N 0.467 123.350 122.820 0.106 0.000 1.958 232 A HA 0.090 4.410 4.320 -0.001 0.000 0.221 232 A C 2.152 179.772 177.584 0.060 0.000 1.178 232 A CA 2.102 54.182 52.037 0.071 0.000 0.642 232 A CB -1.568 17.474 19.000 0.069 0.000 0.816 232 A HN 1.275 nan 8.150 nan 0.000 0.453 233 G N -2.133 106.709 108.800 0.071 0.000 3.141 233 G HA2 0.490 4.450 3.960 -0.001 0.000 0.218 233 G HA3 0.490 4.450 3.960 -0.001 0.000 0.218 233 G C 0.747 175.666 174.900 0.032 0.000 1.170 233 G CA 0.642 45.771 45.100 0.048 0.000 0.769 233 G HN 1.663 nan 8.290 nan 0.000 0.546 234 G N -0.719 108.104 108.800 0.037 0.000 2.373 234 G HA2 0.119 4.079 3.960 -0.001 0.000 0.634 234 G HA3 0.119 4.079 3.960 -0.001 0.000 0.634 234 G C -1.008 173.909 174.900 0.028 0.000 1.267 234 G CA -0.590 44.526 45.100 0.026 0.000 1.008 234 G HN 0.684 nan 8.290 nan 0.000 0.497 235 L N 1.083 122.318 121.223 0.019 0.000 2.410 235 L HA 0.662 5.001 4.340 -0.001 0.000 0.273 235 L C 0.512 177.373 176.870 -0.016 0.000 1.144 235 L CA 0.526 55.380 54.840 0.023 0.000 0.863 235 L CB 0.775 42.846 42.059 0.020 0.000 1.140 235 L HN 0.855 nan 8.230 nan 0.000 0.463 236 S N 3.026 118.713 115.700 -0.023 0.000 2.595 236 S HA 0.470 4.940 4.470 -0.001 0.000 0.281 236 S C -1.255 173.173 174.600 -0.286 0.000 1.117 236 S CA -0.697 57.380 58.200 -0.205 0.000 0.873 236 S CB 1.584 64.565 63.200 -0.365 0.000 1.108 236 S HN 0.780 nan 8.310 nan 0.000 0.477 237 C N 2.584 121.619 119.300 -0.442 0.000 2.295 237 C HA 0.788 5.248 4.460 -0.001 0.000 0.331 237 C C -1.238 173.384 174.990 -0.613 0.000 1.280 237 C CA -0.617 58.210 59.018 -0.318 0.000 1.746 237 C CB -1.554 26.086 27.740 -0.166 0.000 2.328 237 C HN 0.667 nan 8.230 nan 0.000 0.521 238 F N 4.553 124.484 119.950 -0.032 0.000 2.495 238 F HA 0.418 4.944 4.527 -0.001 0.000 0.327 238 F C -0.098 175.767 175.800 0.108 0.000 1.103 238 F CA -0.767 57.235 58.000 0.003 0.000 0.949 238 F CB 1.118 40.062 39.000 -0.093 0.000 1.142 238 F HN 0.614 nan 8.300 nan 0.000 0.457 239 F N 3.981 124.032 119.950 0.169 0.000 2.471 239 F HA 0.519 5.045 4.527 -0.001 0.000 0.365 239 F C -0.677 175.234 175.800 0.186 0.000 1.095 239 F CA -0.417 57.632 58.000 0.082 0.000 1.174 239 F CB 0.334 39.288 39.000 -0.077 0.000 1.105 239 F HN 0.104 nan 8.300 nan 0.000 0.535 240 V N 8.957 128.687 119.914 -0.308 0.000 2.284 240 V HA 0.319 4.439 4.120 -0.001 0.000 0.274 240 V C -2.119 173.785 176.094 -0.317 0.000 1.023 240 V CA -1.596 60.614 62.300 -0.150 0.000 0.808 240 V CB 0.839 32.657 31.823 -0.009 0.000 1.035 240 V HN 0.608 nan 8.190 nan 0.000 0.445 241 P HA 0.336 nan 4.420 nan 0.000 0.279 241 P C 0.416 177.792 177.300 0.127 0.000 1.252 241 P CA -0.603 62.352 63.100 -0.242 0.000 0.811 241 P CB 1.838 33.406 31.700 -0.220 0.000 1.035 242 R N 0.725 121.373 120.500 0.246 0.000 2.092 242 R HA 0.051 4.390 4.340 -0.001 0.000 0.231 242 R C 0.071 176.354 176.300 -0.028 0.000 1.119 242 R CA 1.193 57.386 56.100 0.156 0.000 0.970 242 R CB -0.128 30.309 30.300 0.229 0.000 0.864 242 R HN 0.413 nan 8.270 nan 0.000 0.440 243 F N 0.200 120.305 119.950 0.258 0.000 2.520 243 F HA 0.358 4.884 4.527 -0.001 0.000 0.322 243 F C -0.097 175.900 175.800 0.328 0.000 1.103 243 F CA -1.125 57.029 58.000 0.256 0.000 0.926 243 F CB 1.521 40.661 39.000 0.233 0.000 1.154 243 F HN -0.206 nan 8.300 nan 0.000 0.453 244 L N 3.863 125.366 121.223 0.466 0.000 2.472 244 L HA 0.191 4.531 4.340 -0.001 0.000 0.260 244 L C -1.450 175.656 176.870 0.393 0.000 1.209 244 L CA -1.474 53.645 54.840 0.466 0.000 0.817 244 L CB 0.136 42.426 42.059 0.385 0.000 1.106 244 L HN 0.431 nan 8.230 nan 0.000 0.479 245 P HA -0.197 nan 4.420 nan 0.000 0.216 245 P C 0.693 178.067 177.300 0.123 0.000 1.150 245 P CA 1.336 64.486 63.100 0.083 0.000 0.843 245 P CB -0.031 31.622 31.700 -0.078 0.000 0.787 246 D N -2.005 118.490 120.400 0.159 0.000 2.378 246 D HA 0.024 4.664 4.640 -0.001 0.000 0.227 246 D C 1.441 177.831 176.300 0.150 0.000 1.012 246 D CA 0.969 55.048 54.000 0.132 0.000 0.905 246 D CB -0.965 39.911 40.800 0.126 0.000 0.895 246 D HN 0.266 nan 8.370 nan 0.000 0.532 247 G N -1.288 107.638 108.800 0.210 0.000 2.194 247 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.236 247 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.236 247 G C 0.255 175.364 174.900 0.348 0.000 0.987 247 G CA 0.197 45.438 45.100 0.234 0.000 0.635 247 G HN 0.478 nan 8.290 nan 0.000 0.520 248 Q N -0.348 119.626 119.800 0.290 0.000 2.373 248 Q HA 0.558 4.898 4.340 -0.001 0.000 0.255 248 Q C 0.728 176.880 176.000 0.253 0.000 0.980 248 Q CA -0.087 55.866 55.803 0.250 0.000 0.882 248 Q CB 1.177 30.016 28.738 0.168 0.000 1.249 248 Q HN 0.629 nan 8.270 nan 0.000 0.438 249 R N 2.302 122.858 120.500 0.092 0.000 2.570 249 R HA 0.046 4.386 4.340 -0.001 0.000 0.277 249 R C 0.203 176.471 176.300 -0.054 0.000 1.039 249 R CA 0.120 56.101 56.100 -0.199 0.000 1.065 249 R CB 0.120 30.274 30.300 -0.242 0.000 0.964 249 R HN 0.579 nan 8.270 nan 0.000 0.428 250 N N 2.108 120.776 118.700 -0.054 0.000 2.444 250 N HA 0.093 4.832 4.740 -0.001 0.000 0.255 250 N C -0.867 174.649 175.510 0.011 0.000 1.255 250 N CA 0.352 53.427 53.050 0.042 0.000 0.933 250 N CB 0.988 39.535 38.487 0.100 0.000 1.143 250 N HN 0.657 nan 8.380 nan 0.000 0.453 251 A N 3.154 125.999 122.820 0.042 0.000 3.118 251 A HA 0.313 4.632 4.320 -0.001 0.000 0.256 251 A C 0.010 177.623 177.584 0.049 0.000 1.667 251 A CA -0.257 51.796 52.037 0.027 0.000 1.338 251 A CB -1.056 17.963 19.000 0.031 0.000 1.127 251 A HN 0.569 nan 8.150 nan 0.000 0.634 252 I N 1.936 122.514 120.570 0.015 0.000 2.328 252 I HA 0.291 4.461 4.170 -0.001 0.000 0.287 252 I C 0.028 176.056 176.117 -0.149 0.000 1.012 252 I CA -0.416 60.852 61.300 -0.053 0.000 1.195 252 I CB 1.108 39.111 38.000 0.004 0.000 1.350 252 I HN 0.276 nan 8.210 nan 0.000 0.464 253 R N 7.231 127.600 120.500 -0.219 0.000 2.229 253 R HA 0.494 4.833 4.340 -0.001 0.000 0.328 253 R C -0.818 175.340 176.300 -0.238 0.000 1.009 253 R CA -0.723 55.256 56.100 -0.201 0.000 0.864 253 R CB 1.187 31.386 30.300 -0.170 0.000 1.085 253 R HN 0.581 nan 8.270 nan 0.000 0.453 254 L N 3.499 124.607 121.223 -0.192 0.000 2.278 254 L HA 0.161 4.500 4.340 -0.001 0.000 0.287 254 L C 1.363 178.142 176.870 -0.150 0.000 1.072 254 L CA -0.136 54.605 54.840 -0.165 0.000 0.819 254 L CB 0.878 42.870 42.059 -0.111 0.000 1.176 254 L HN 0.454 nan 8.230 nan 0.000 0.435 255 E N 2.645 122.763 120.200 -0.136 0.000 2.201 255 E HA 0.150 4.500 4.350 -0.001 0.000 0.193 255 E C 0.327 176.882 176.600 -0.075 0.000 0.957 255 E CA 0.444 56.786 56.400 -0.097 0.000 0.858 255 E CB 0.736 30.387 29.700 -0.082 0.000 0.816 255 E HN 0.494 nan 8.360 nan 0.000 0.475 256 R N -0.052 120.394 120.500 -0.090 0.000 2.594 256 R HA 0.294 4.634 4.340 -0.001 0.000 0.265 256 R C -1.828 174.396 176.300 -0.127 0.000 1.070 256 R CA -0.613 55.432 56.100 -0.093 0.000 0.909 256 R CB 1.028 31.279 30.300 -0.081 0.000 1.243 256 R HN -0.044 nan 8.270 nan 0.000 0.455 257 L N 3.376 124.524 121.223 -0.124 0.000 2.312 257 L HA 0.443 4.783 4.340 -0.001 0.000 0.281 257 L C -0.515 176.254 176.870 -0.168 0.000 1.070 257 L CA -0.238 54.518 54.840 -0.140 0.000 0.805 257 L CB 1.094 43.075 42.059 -0.130 0.000 1.174 257 L HN 0.485 nan 8.230 nan 0.000 0.434 258 K N 2.479 122.755 120.400 -0.207 0.000 2.382 258 K HA 0.078 4.398 4.320 -0.001 0.000 0.275 258 K C -0.666 175.855 176.600 -0.131 0.000 1.009 258 K CA -0.145 56.005 56.287 -0.229 0.000 0.970 258 K CB 0.415 32.751 32.500 -0.273 0.000 0.934 258 K HN 0.479 nan 8.250 nan 0.000 0.479 259 D N 2.993 123.329 120.400 -0.106 0.000 2.467 259 D HA 0.135 4.775 4.640 -0.001 0.000 0.220 259 D C -0.725 175.553 176.300 -0.038 0.000 1.103 259 D CA -0.316 53.646 54.000 -0.064 0.000 0.886 259 D CB 0.315 41.083 40.800 -0.053 0.000 1.025 259 D HN 0.196 nan 8.370 nan 0.000 0.514 260 K N 2.568 122.955 120.400 -0.022 0.000 2.123 260 K HA 0.216 4.535 4.320 -0.001 0.000 0.248 260 K C 0.976 177.581 176.600 0.008 0.000 0.969 260 K CA -0.960 55.331 56.287 0.006 0.000 0.882 260 K CB 2.213 34.729 32.500 0.027 0.000 1.080 260 K HN 0.165 nan 8.250 nan 0.000 0.441 261 L N 0.959 122.192 121.223 0.017 0.000 1.989 261 L HA -0.066 4.274 4.340 -0.001 0.000 0.211 261 L C 0.720 177.594 176.870 0.006 0.000 1.071 261 L CA 2.219 57.065 54.840 0.010 0.000 0.749 261 L CB -0.502 41.560 42.059 0.004 0.000 0.890 261 L HN 0.807 nan 8.230 nan 0.000 0.431 262 G N -3.104 105.702 108.800 0.010 0.000 3.135 262 G HA2 0.177 4.137 3.960 -0.001 0.000 0.278 262 G HA3 0.177 4.137 3.960 -0.001 0.000 0.278 262 G C -0.371 174.547 174.900 0.029 0.000 1.302 262 G CA 0.004 45.111 45.100 0.012 0.000 0.880 262 G HN 0.308 nan 8.290 nan 0.000 0.574 263 N N -1.011 117.711 118.700 0.037 0.000 2.714 263 N HA -0.186 4.554 4.740 -0.001 0.000 0.250 263 N C 1.424 176.969 175.510 0.058 0.000 1.117 263 N CA 0.700 53.787 53.050 0.061 0.000 0.719 263 N CB -0.244 38.291 38.487 0.080 0.000 1.081 263 N HN 0.577 nan 8.380 nan 0.000 0.557 264 R N 0.016 120.538 120.500 0.036 0.000 2.189 264 R HA -0.049 4.291 4.340 -0.001 0.000 0.218 264 R C 2.260 178.561 176.300 0.002 0.000 1.074 264 R CA 1.592 57.697 56.100 0.009 0.000 0.991 264 R CB -0.077 30.220 30.300 -0.005 0.000 0.883 264 R HN 0.443 nan 8.270 nan 0.000 0.457 265 S N 0.338 116.072 115.700 0.057 0.000 2.447 265 S HA -0.113 4.357 4.470 -0.001 0.000 0.233 265 S C 0.828 175.405 174.600 -0.039 0.000 1.006 265 S CA 0.289 58.544 58.200 0.092 0.000 0.957 265 S CB -0.320 63.045 63.200 0.275 0.000 0.773 265 S HN 0.305 nan 8.310 nan 0.000 0.507 266 N N 1.316 120.032 118.700 0.028 0.000 2.455 266 N HA 0.446 5.186 4.740 -0.001 0.000 0.280 266 N C -0.748 174.748 175.510 -0.024 0.000 1.055 266 N CA -0.289 52.761 53.050 0.001 0.000 0.961 266 N CB 1.209 39.810 38.487 0.190 0.000 1.121 266 N HN 0.320 nan 8.380 nan 0.000 0.476 267 A N 2.802 125.608 122.820 -0.024 0.000 2.362 267 A HA 0.350 4.669 4.320 -0.001 0.000 0.276 267 A C -0.422 177.192 177.584 0.051 0.000 1.153 267 A CA -0.192 51.822 52.037 -0.039 0.000 0.813 267 A CB 0.289 19.254 19.000 -0.058 0.000 1.081 267 A HN 0.611 nan 8.150 nan 0.000 0.507 268 S N 1.146 116.857 115.700 0.019 0.000 2.519 268 S HA 0.502 4.971 4.470 -0.001 0.000 0.309 268 S C -0.662 173.916 174.600 -0.036 0.000 1.100 268 S CA -0.489 57.742 58.200 0.051 0.000 1.059 268 S CB 1.182 64.434 63.200 0.087 0.000 1.008 268 S HN 0.860 nan 8.310 nan 0.000 0.478 269 C N 2.511 121.823 119.300 0.021 0.000 2.562 269 C HA 0.554 5.013 4.460 -0.001 0.000 0.332 269 C C -0.412 174.521 174.990 -0.095 0.000 1.201 269 C CA -0.664 58.331 59.018 -0.039 0.000 1.803 269 C CB 1.049 28.818 27.740 0.047 0.000 2.328 269 C HN 0.919 nan 8.230 nan 0.000 0.500 270 E N 1.603 121.711 120.200 -0.154 0.000 2.174 270 E HA 0.515 4.864 4.350 -0.001 0.000 0.282 270 E C -0.585 175.927 176.600 -0.146 0.000 0.992 270 E CA -0.275 56.062 56.400 -0.105 0.000 0.803 270 E CB 1.470 31.139 29.700 -0.052 0.000 1.090 270 E HN 0.593 nan 8.360 nan 0.000 0.396 271 V N -0.129 119.630 119.914 -0.260 0.000 3.074 271 V HA 0.621 4.740 4.120 -0.001 0.000 0.314 271 V C -0.722 175.043 176.094 -0.549 0.000 1.117 271 V CA -0.822 61.179 62.300 -0.498 0.000 1.014 271 V CB 2.174 33.422 31.823 -0.957 0.000 1.057 271 V HN 0.617 nan 8.190 nan 0.000 0.438 272 E N 1.394 121.243 120.200 -0.585 0.000 2.293 272 E HA 0.573 4.923 4.350 -0.001 0.000 0.270 272 E C -2.009 174.239 176.600 -0.587 0.000 0.879 272 E CA -0.473 55.626 56.400 -0.502 0.000 0.756 272 E CB 2.690 32.260 29.700 -0.218 0.000 1.208 272 E HN 0.643 nan 8.360 nan 0.000 0.428 273 F N 1.481 121.362 119.950 -0.115 0.000 2.404 273 F HA 0.257 4.783 4.527 -0.001 0.000 0.354 273 F C 0.521 176.273 175.800 -0.079 0.000 1.122 273 F CA -0.599 57.333 58.000 -0.113 0.000 1.080 273 F CB 1.254 40.183 39.000 -0.119 0.000 1.131 273 F HN 0.206 nan 8.300 nan 0.000 0.471 274 Q N 3.427 123.280 119.800 0.088 0.000 2.730 274 Q HA 0.170 4.510 4.340 -0.001 0.000 0.244 274 Q C -0.909 175.111 176.000 0.033 0.000 1.176 274 Q CA -0.381 55.444 55.803 0.037 0.000 1.024 274 Q CB 0.426 29.165 28.738 0.003 0.000 1.215 274 Q HN 0.614 nan 8.270 nan 0.000 0.542 275 D N 0.452 120.868 120.400 0.026 0.000 2.699 275 D HA -0.183 4.456 4.640 -0.001 0.000 0.239 275 D C -0.268 176.027 176.300 -0.009 0.000 1.136 275 D CA 0.947 54.942 54.000 -0.008 0.000 0.668 275 D CB -0.988 39.805 40.800 -0.012 0.000 1.060 275 D HN 0.619 nan 8.370 nan 0.000 0.429 276 A N 0.302 123.126 122.820 0.007 0.000 2.425 276 A HA 0.404 4.723 4.320 -0.001 0.000 0.242 276 A C 0.712 178.241 177.584 -0.092 0.000 1.077 276 A CA -0.146 51.891 52.037 -0.001 0.000 0.781 276 A CB 0.585 19.609 19.000 0.039 0.000 1.020 276 A HN 0.273 nan 8.150 nan 0.000 0.494 277 I N 1.631 122.169 120.570 -0.053 0.000 2.353 277 I HA 0.491 4.661 4.170 -0.001 0.000 0.293 277 I C 0.853 176.876 176.117 -0.157 0.000 0.992 277 I CA 0.189 61.387 61.300 -0.170 0.000 1.268 277 I CB 0.458 38.367 38.000 -0.151 0.000 1.387 277 I HN 0.678 nan 8.210 nan 0.000 0.478 278 G N 5.862 114.490 108.800 -0.287 0.000 2.533 278 G HA2 0.571 4.530 3.960 -0.001 0.000 0.304 278 G HA3 0.571 4.530 3.960 -0.001 0.000 0.304 278 G C -1.793 173.117 174.900 0.016 0.000 1.263 278 G CA -0.511 44.584 45.100 -0.009 0.000 0.964 278 G HN 0.490 nan 8.290 nan 0.000 0.479 279 W N 1.651 123.187 121.300 0.393 0.000 2.417 279 W HA 0.355 5.015 4.660 -0.000 0.000 0.315 279 W C -0.518 176.173 176.519 0.286 0.000 1.045 279 W CA -0.781 56.800 57.345 0.393 0.000 1.221 279 W CB 2.019 31.698 29.460 0.365 0.000 1.309 279 W HN 0.367 nan 8.180 nan 0.000 0.453 280 L N 4.838 126.237 121.223 0.294 0.000 2.455 280 L HA 0.202 4.542 4.340 -0.001 0.000 0.272 280 L C -0.471 176.332 176.870 -0.113 0.000 1.174 280 L CA 0.539 55.231 54.840 -0.247 0.000 0.869 280 L CB 0.219 42.133 42.059 -0.241 0.000 1.130 280 L HN 0.240 nan 8.230 nan 0.000 0.474 281 L N 6.769 127.852 121.223 -0.234 0.000 2.282 281 L HA 0.664 5.004 4.340 -0.001 0.000 0.288 281 L C 1.009 177.786 176.870 -0.155 0.000 1.033 281 L CA -0.015 54.748 54.840 -0.129 0.000 0.807 281 L CB 0.639 42.641 42.059 -0.096 0.000 1.209 281 L HN 0.998 nan 8.230 nan 0.000 0.423 282 G N 3.301 112.044 108.800 -0.095 0.000 2.525 282 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.248 282 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.248 282 G C -0.642 174.205 174.900 -0.087 0.000 1.238 282 G CA -0.600 44.449 45.100 -0.084 0.000 0.926 282 G HN 0.455 nan 8.290 nan 0.000 0.574 283 L N 0.783 121.956 121.223 -0.083 0.000 2.352 283 L HA 0.466 4.805 4.340 -0.001 0.000 0.269 283 L C 0.926 177.739 176.870 -0.095 0.000 1.034 283 L CA -0.823 53.979 54.840 -0.063 0.000 0.806 283 L CB 1.333 43.371 42.059 -0.035 0.000 1.244 283 L HN 0.642 nan 8.230 nan 0.000 0.447 284 E N 1.099 121.263 120.200 -0.059 0.000 2.465 284 E HA 0.100 4.450 4.350 -0.001 0.000 0.260 284 E C 0.783 177.360 176.600 -0.039 0.000 0.980 284 E CA 0.948 57.316 56.400 -0.053 0.000 0.927 284 E CB 0.396 30.111 29.700 0.026 0.000 0.934 284 E HN 0.877 nan 8.360 nan 0.000 0.459 285 G N 3.422 112.193 108.800 -0.049 0.000 2.176 285 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.253 285 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.253 285 G C 0.446 175.323 174.900 -0.037 0.000 0.979 285 G CA 0.530 45.614 45.100 -0.028 0.000 0.641 285 G HN 0.681 nan 8.290 nan 0.000 0.530 286 E N 0.244 120.408 120.200 -0.061 0.000 2.496 286 E HA 0.492 4.841 4.350 -0.001 0.000 0.200 286 E C 1.928 178.492 176.600 -0.061 0.000 1.016 286 E CA 0.523 56.892 56.400 -0.053 0.000 0.962 286 E CB 0.135 29.805 29.700 -0.050 0.000 1.071 286 E HN 0.410 nan 8.360 nan 0.000 0.457 287 G N 1.782 110.539 108.800 -0.071 0.000 2.446 287 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 287 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 287 G C 1.469 176.351 174.900 -0.028 0.000 1.168 287 G CA 0.957 46.016 45.100 -0.067 0.000 0.771 287 G HN 0.295 nan 8.290 nan 0.000 0.551 288 I N 1.070 121.631 120.570 -0.014 0.000 2.179 288 I HA -0.142 4.027 4.170 -0.001 0.000 0.242 288 I C 3.533 179.652 176.117 0.004 0.000 1.088 288 I CA 1.518 62.819 61.300 0.001 0.000 1.357 288 I CB -0.349 37.653 38.000 0.004 0.000 1.051 288 I HN 0.272 nan 8.210 nan 0.000 0.409 289 R N 0.677 121.174 120.500 -0.005 0.000 2.073 289 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 289 R C 2.083 178.382 176.300 -0.002 0.000 1.134 289 R CA 1.662 57.761 56.100 -0.002 0.000 0.952 289 R CB -1.669 28.624 30.300 -0.010 0.000 0.850 289 R HN 0.283 nan 8.270 nan 0.000 0.433 290 L N 1.395 122.608 121.223 -0.016 0.000 2.043 290 L HA -0.058 4.282 4.340 -0.001 0.000 0.212 290 L C 2.327 179.196 176.870 -0.002 0.000 1.075 290 L CA 2.257 57.084 54.840 -0.022 0.000 0.752 290 L CB -0.134 41.897 42.059 -0.047 0.000 0.891 290 L HN 0.647 nan 8.230 nan 0.000 0.432 291 I N -4.317 116.261 120.570 0.013 0.000 3.812 291 I HA 0.009 4.179 4.170 -0.001 0.000 0.320 291 I C 1.600 177.759 176.117 0.070 0.000 1.276 291 I CA 0.100 61.424 61.300 0.040 0.000 1.164 291 I CB -0.257 37.769 38.000 0.044 0.000 1.009 291 I HN 0.146 nan 8.210 nan 0.000 0.431 292 L N 1.923 123.184 121.223 0.064 0.000 2.017 292 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 292 L C 3.270 180.226 176.870 0.143 0.000 1.073 292 L CA 2.351 57.245 54.840 0.089 0.000 0.745 292 L CB -0.911 41.187 42.059 0.065 0.000 0.894 292 L HN 0.487 nan 8.230 nan 0.000 0.432 293 K N -0.163 120.320 120.400 0.139 0.000 2.155 293 K HA -0.129 4.191 4.320 -0.001 0.000 0.203 293 K C 1.877 178.616 176.600 0.231 0.000 1.052 293 K CA 1.480 57.905 56.287 0.231 0.000 0.948 293 K CB -0.749 31.863 32.500 0.186 0.000 0.728 293 K HN 0.329 nan 8.250 nan 0.000 0.448 294 M N 0.478 120.162 119.600 0.139 0.000 2.080 294 M HA -0.076 4.403 4.480 -0.001 0.000 0.260 294 M C 2.436 178.848 176.300 0.186 0.000 1.068 294 M CA 2.260 57.636 55.300 0.126 0.000 1.109 294 M CB -0.359 32.299 32.600 0.096 0.000 1.342 294 M HN 0.394 nan 8.290 nan 0.000 0.405 295 G N -1.036 107.883 108.800 0.197 0.000 2.422 295 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.218 295 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.218 295 G C 1.403 176.473 174.900 0.283 0.000 1.146 295 G CA 0.789 46.032 45.100 0.240 0.000 0.769 295 G HN 0.627 nan 8.290 nan 0.000 0.547 296 G N 0.828 109.822 108.800 0.323 0.000 2.446 296 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 296 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 296 G C 1.890 176.932 174.900 0.237 0.000 1.168 296 G CA 1.032 46.414 45.100 0.471 0.000 0.771 296 G HN 0.425 nan 8.290 nan 0.000 0.551 297 M N 1.047 120.644 119.600 -0.005 0.000 2.175 297 M HA -0.055 4.424 4.480 -0.001 0.000 0.264 297 M C 2.965 179.308 176.300 0.070 0.000 1.063 297 M CA 1.835 57.038 55.300 -0.162 0.000 1.119 297 M CB -0.498 32.075 32.600 -0.045 0.000 1.377 297 M HN 0.427 nan 8.290 nan 0.000 0.415 298 T N -1.392 113.258 114.554 0.161 0.000 2.821 298 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 298 T C 1.804 176.532 174.700 0.047 0.000 1.046 298 T CA 0.941 63.114 62.100 0.122 0.000 1.139 298 T CB -0.357 68.744 68.868 0.389 0.000 0.871 298 T HN 0.366 nan 8.240 nan 0.000 0.454 299 R N -0.201 120.422 120.500 0.205 0.000 2.081 299 R HA 0.110 4.450 4.340 -0.001 0.000 0.235 299 R C 2.173 178.536 176.300 0.105 0.000 1.131 299 R CA 1.471 57.685 56.100 0.191 0.000 0.960 299 R CB -0.657 29.810 30.300 0.279 0.000 0.856 299 R HN 0.463 nan 8.270 nan 0.000 0.436 300 F N 2.181 122.127 119.950 -0.006 0.000 2.095 300 F HA -0.257 4.270 4.527 -0.001 0.000 0.298 300 F C 1.573 177.244 175.800 -0.216 0.000 1.104 300 F CA 1.789 59.746 58.000 -0.071 0.000 1.232 300 F CB -0.078 38.814 39.000 -0.181 0.000 0.987 300 F HN -0.060 nan 8.300 nan 0.000 0.475 301 D N -0.258 119.944 120.400 -0.331 0.000 2.178 301 D HA -0.177 4.463 4.640 -0.001 0.000 0.201 301 D C 2.460 178.508 176.300 -0.419 0.000 0.980 301 D CA 1.366 54.989 54.000 -0.628 0.000 0.842 301 D CB -0.761 39.709 40.800 -0.550 0.000 0.948 301 D HN 0.340 nan 8.370 nan 0.000 0.472 302 C N 0.715 119.823 119.300 -0.320 0.000 2.432 302 C HA -0.084 4.376 4.460 -0.001 0.000 0.277 302 C C 2.882 177.769 174.990 -0.172 0.000 1.249 302 C CA 0.932 59.810 59.018 -0.234 0.000 1.725 302 C CB -1.054 26.578 27.740 -0.181 0.000 2.028 302 C HN 0.384 nan 8.230 nan 0.000 0.477 303 A N -0.081 122.617 122.820 -0.204 0.000 1.877 303 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 303 A C 2.041 179.495 177.584 -0.217 0.000 1.186 303 A CA 1.718 53.646 52.037 -0.182 0.000 0.620 303 A CB -0.714 18.196 19.000 -0.150 0.000 0.822 303 A HN 0.485 nan 8.150 nan 0.000 0.443 304 L N 0.129 121.092 121.223 -0.433 0.000 2.046 304 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 304 L C 2.426 179.313 176.870 0.027 0.000 1.077 304 L CA 2.235 56.880 54.840 -0.324 0.000 0.747 304 L CB -1.149 40.496 42.059 -0.690 0.000 0.896 304 L HN 0.323 nan 8.230 nan 0.000 0.432 305 G N -1.768 107.085 108.800 0.088 0.000 2.421 305 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.216 305 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.216 305 G C 1.595 176.517 174.900 0.036 0.000 1.171 305 G CA 0.898 46.095 45.100 0.162 0.000 0.775 305 G HN 0.469 nan 8.290 nan 0.000 0.543 306 S N -0.108 115.588 115.700 -0.006 0.000 2.368 306 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 306 S C 2.008 176.587 174.600 -0.036 0.000 1.030 306 S CA 1.492 59.674 58.200 -0.030 0.000 0.999 306 S CB -0.417 62.752 63.200 -0.050 0.000 0.844 306 S HN 0.687 nan 8.310 nan 0.000 0.459 307 H N 1.943 120.957 119.070 -0.093 0.000 2.319 307 H HA 0.007 4.562 4.556 -0.001 0.000 0.299 307 H C 2.080 177.372 175.328 -0.059 0.000 1.092 307 H CA 1.728 57.718 56.048 -0.097 0.000 1.302 307 H CB -0.608 29.124 29.762 -0.051 0.000 1.373 307 H HN 0.296 nan 8.280 nan 0.000 0.497 308 A N 0.733 123.524 122.820 -0.048 0.000 1.883 308 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 308 A C 2.545 180.067 177.584 -0.104 0.000 1.186 308 A CA 1.983 53.975 52.037 -0.074 0.000 0.624 308 A CB -0.739 18.280 19.000 0.033 0.000 0.822 308 A HN 0.560 nan 8.150 nan 0.000 0.444 309 M N -1.367 118.190 119.600 -0.071 0.000 2.117 309 M HA -0.162 4.317 4.480 -0.001 0.000 0.262 309 M C 2.407 178.690 176.300 -0.029 0.000 1.065 309 M CA 1.754 57.031 55.300 -0.038 0.000 1.114 309 M CB -0.525 32.064 32.600 -0.017 0.000 1.361 309 M HN 0.430 nan 8.290 nan 0.000 0.408 310 M N -0.585 118.937 119.600 -0.130 0.000 2.080 310 M HA -0.213 4.267 4.480 -0.001 0.000 0.260 310 M C 2.262 178.521 176.300 -0.068 0.000 1.068 310 M CA 1.634 56.802 55.300 -0.220 0.000 1.109 310 M CB -0.528 31.606 32.600 -0.778 0.000 1.342 310 M HN 0.124 nan 8.290 nan 0.000 0.405 311 R N 0.821 121.195 120.500 -0.210 0.000 2.080 311 R HA -0.184 4.156 4.340 -0.001 0.000 0.236 311 R C 2.066 178.417 176.300 0.086 0.000 1.137 311 R CA 1.955 58.019 56.100 -0.061 0.000 0.943 311 R CB -0.555 29.626 30.300 -0.198 0.000 0.846 311 R HN 0.094 nan 8.270 nan 0.000 0.431 312 R N 0.396 120.914 120.500 0.030 0.000 2.083 312 R HA 0.020 4.360 4.340 -0.001 0.000 0.237 312 R C 2.090 178.447 176.300 0.095 0.000 1.137 312 R CA 2.134 58.258 56.100 0.040 0.000 0.951 312 R CB -1.133 29.170 30.300 0.005 0.000 0.851 312 R HN 0.385 nan 8.270 nan 0.000 0.434 313 A N -0.513 122.397 122.820 0.150 0.000 1.908 313 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 313 A C 2.318 180.052 177.584 0.249 0.000 1.181 313 A CA 1.608 53.761 52.037 0.194 0.000 0.627 313 A CB -0.934 18.223 19.000 0.262 0.000 0.818 313 A HN 0.517 nan 8.150 nan 0.000 0.445 314 F N 0.196 120.272 119.950 0.210 0.000 2.146 314 F HA -0.133 4.393 4.527 -0.001 0.000 0.298 314 F C 2.779 178.644 175.800 0.109 0.000 1.096 314 F CA 1.664 59.776 58.000 0.185 0.000 1.275 314 F CB -0.131 39.050 39.000 0.301 0.000 1.008 314 F HN 0.248 nan 8.300 nan 0.000 0.480 315 S N 0.556 116.285 115.700 0.049 0.000 2.359 315 S HA -0.191 4.278 4.470 -0.001 0.000 0.224 315 S C 2.031 176.597 174.600 -0.056 0.000 1.035 315 S CA 1.646 59.809 58.200 -0.061 0.000 1.018 315 S CB -0.536 62.658 63.200 -0.010 0.000 0.876 315 S HN 0.410 nan 8.310 nan 0.000 0.448 316 L N 0.977 122.197 121.223 -0.004 0.000 2.046 316 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 316 L C 2.877 179.779 176.870 0.054 0.000 1.077 316 L CA 1.351 56.213 54.840 0.036 0.000 0.747 316 L CB -0.675 41.403 42.059 0.032 0.000 0.896 316 L HN 0.374 nan 8.230 nan 0.000 0.432 317 A N 0.783 123.591 122.820 -0.020 0.000 1.902 317 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 317 A C 2.234 179.791 177.584 -0.045 0.000 1.181 317 A CA 1.864 53.879 52.037 -0.037 0.000 0.623 317 A CB -0.760 18.201 19.000 -0.064 0.000 0.818 317 A HN 0.557 nan 8.150 nan 0.000 0.443 318 I N -4.319 116.122 120.570 -0.216 0.000 2.353 318 I HA -0.136 4.034 4.170 -0.001 0.000 0.248 318 I C 2.422 178.547 176.117 0.014 0.000 1.119 318 I CA 1.772 62.958 61.300 -0.190 0.000 1.417 318 I CB -0.590 37.158 38.000 -0.419 0.000 1.078 318 I HN 0.257 nan 8.210 nan 0.000 0.421 319 Y N 1.819 122.075 120.300 -0.073 0.000 2.181 319 Y HA -0.286 4.264 4.550 -0.001 0.000 0.288 319 Y C 2.770 178.709 175.900 0.063 0.000 1.146 319 Y CA 2.144 60.236 58.100 -0.013 0.000 1.164 319 Y CB -0.615 37.831 38.460 -0.022 0.000 0.982 319 Y HN 0.372 nan 8.280 nan 0.000 0.515 320 H N -0.559 118.550 119.070 0.066 0.000 2.293 320 H HA -0.078 4.478 4.556 -0.001 0.000 0.300 320 H C 2.175 177.485 175.328 -0.030 0.000 1.082 320 H CA 1.899 57.947 56.048 0.001 0.000 1.308 320 H CB -0.331 29.446 29.762 0.025 0.000 1.375 320 H HN 0.290 nan 8.280 nan 0.000 0.495 321 A N 0.131 123.008 122.820 0.095 0.000 2.067 321 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 321 A C 2.273 179.830 177.584 -0.045 0.000 1.158 321 A CA 1.485 53.539 52.037 0.029 0.000 0.661 321 A CB -0.959 18.079 19.000 0.064 0.000 0.801 321 A HN 0.774 nan 8.150 nan 0.000 0.452 322 H N -0.483 118.508 119.070 -0.131 0.000 2.423 322 H HA -0.055 4.501 4.556 -0.001 0.000 0.297 322 H C 1.839 177.074 175.328 -0.155 0.000 1.075 322 H CA 1.927 57.890 56.048 -0.141 0.000 1.342 322 H CB 0.171 29.841 29.762 -0.153 0.000 1.395 322 H HN 0.646 nan 8.280 nan 0.000 0.530 323 Q N 0.031 119.709 119.800 -0.204 0.000 2.226 323 Q HA 0.013 4.352 4.340 -0.001 0.000 0.199 323 Q C 0.906 176.843 176.000 -0.106 0.000 0.945 323 Q CA -0.165 55.520 55.803 -0.195 0.000 0.861 323 Q CB 0.508 29.100 28.738 -0.243 0.000 0.953 323 Q HN 0.028 nan 8.270 nan 0.000 0.490 324 R N 1.507 121.868 120.500 -0.231 0.000 2.489 324 R HA 0.037 4.376 4.340 -0.001 0.000 0.287 324 R C -0.987 175.313 176.300 0.000 0.000 1.053 324 R CA 0.511 56.507 56.100 -0.172 0.000 1.036 324 R CB 0.212 30.299 30.300 -0.356 0.000 0.966 324 R HN 0.138 nan 8.270 nan 0.000 0.432 325 H N 3.093 122.089 119.070 -0.125 0.000 2.463 325 H HA 0.459 5.015 4.556 -0.001 0.000 0.332 325 H C -0.683 174.603 175.328 -0.071 0.000 1.127 325 H CA -0.849 55.153 56.048 -0.076 0.000 1.238 325 H CB 1.719 31.450 29.762 -0.051 0.000 1.478 325 H HN 0.465 nan 8.280 nan 0.000 0.499 326 V N 0.432 120.366 119.914 0.034 0.000 2.709 326 V HA 0.294 4.413 4.120 -0.001 0.000 0.308 326 V C -0.243 175.907 176.094 0.093 0.000 1.062 326 V CA -0.949 61.341 62.300 -0.017 0.000 0.901 326 V CB 1.162 33.034 31.823 0.082 0.000 1.003 326 V HN 0.950 nan 8.190 nan 0.000 0.425 327 F N 2.964 122.929 119.950 0.027 0.000 3.100 327 F HA -0.056 4.471 4.527 -0.001 0.000 0.283 327 F C 1.739 177.556 175.800 0.028 0.000 0.900 327 F CA 1.709 59.722 58.000 0.021 0.000 1.010 327 F CB -1.558 37.444 39.000 0.004 0.000 1.029 327 F HN 1.720 nan 8.300 nan 0.000 0.637 328 G N -0.749 108.133 108.800 0.136 0.000 2.175 328 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.244 328 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.244 328 G C -0.085 174.901 174.900 0.143 0.000 0.982 328 G CA 0.162 45.347 45.100 0.141 0.000 0.641 328 G HN 0.663 nan 8.290 nan 0.000 0.527 329 N N 0.237 118.968 118.700 0.052 0.000 2.357 329 N HA 0.603 5.343 4.740 -0.001 0.000 0.284 329 N C -3.106 172.127 175.510 -0.462 0.000 1.236 329 N CA -1.819 51.150 53.050 -0.136 0.000 0.774 329 N CB 2.532 40.983 38.487 -0.060 0.000 1.534 329 N HN -0.079 nan 8.380 nan 0.000 0.478 330 P HA -0.021 nan 4.420 nan 0.000 0.266 330 P C 0.503 177.633 177.300 -0.282 0.000 1.195 330 P CA -0.249 62.441 63.100 -0.683 0.000 0.768 330 P CB 0.609 32.007 31.700 -0.504 0.000 0.838 331 L N 4.876 125.987 121.223 -0.186 0.000 2.079 331 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 331 L C 1.760 178.608 176.870 -0.037 0.000 1.081 331 L CA 1.681 56.486 54.840 -0.060 0.000 0.752 331 L CB -1.011 41.040 42.059 -0.013 0.000 0.896 331 L HN 0.389 nan 8.230 nan 0.000 0.433 332 I N -0.970 119.568 120.570 -0.055 0.000 2.916 332 I HA -0.193 3.977 4.170 -0.001 0.000 0.267 332 I C 1.563 177.673 176.117 -0.011 0.000 1.263 332 I CA 0.678 61.972 61.300 -0.011 0.000 1.471 332 I CB -0.072 37.935 38.000 0.012 0.000 1.089 332 I HN 0.431 nan 8.210 nan 0.000 0.468 333 Q N 0.094 119.865 119.800 -0.048 0.000 2.356 333 Q HA 0.118 4.457 4.340 -0.001 0.000 0.205 333 Q C 0.115 176.104 176.000 -0.019 0.000 0.901 333 Q CA 0.184 55.966 55.803 -0.035 0.000 0.938 333 Q CB 0.265 28.963 28.738 -0.066 0.000 1.081 333 Q HN 0.473 nan 8.270 nan 0.000 0.517 334 Q N 1.277 121.070 119.800 -0.012 0.000 2.296 334 Q HA 0.093 4.432 4.340 -0.001 0.000 0.262 334 Q C -1.669 174.337 176.000 0.009 0.000 0.981 334 Q CA -1.530 54.272 55.803 -0.001 0.000 0.905 334 Q CB 0.867 29.614 28.738 0.014 0.000 1.186 334 Q HN -0.014 nan 8.270 nan 0.000 0.399 335 P HA -0.199 nan 4.420 nan 0.000 0.216 335 P C 1.317 178.635 177.300 0.031 0.000 1.153 335 P CA 0.849 63.955 63.100 0.010 0.000 0.858 335 P CB 0.248 31.938 31.700 -0.018 0.000 0.789 336 L N -1.703 119.525 121.223 0.009 0.000 2.072 336 L HA -0.033 4.307 4.340 -0.001 0.000 0.205 336 L C 2.308 179.229 176.870 0.085 0.000 1.079 336 L CA 1.853 56.708 54.840 0.025 0.000 0.752 336 L CB -1.322 40.728 42.059 -0.014 0.000 0.906 336 L HN -0.113 nan 8.230 nan 0.000 0.436 337 M N -0.422 119.213 119.600 0.059 0.000 2.086 337 M HA -0.189 4.291 4.480 -0.001 0.000 0.261 337 M C 2.462 178.811 176.300 0.082 0.000 1.067 337 M CA 1.743 57.082 55.300 0.064 0.000 1.116 337 M CB -0.524 32.105 32.600 0.048 0.000 1.348 337 M HN 0.206 nan 8.290 nan 0.000 0.407 338 R N -1.687 118.861 120.500 0.080 0.000 2.105 338 R HA -0.233 4.106 4.340 -0.001 0.000 0.239 338 R C 2.347 178.715 176.300 0.112 0.000 1.135 338 R CA 2.039 58.192 56.100 0.087 0.000 0.967 338 R CB -0.519 29.823 30.300 0.071 0.000 0.861 338 R HN 0.657 nan 8.270 nan 0.000 0.442 339 H N -0.390 118.698 119.070 0.028 0.000 2.293 339 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 339 H C 1.838 177.183 175.328 0.028 0.000 1.082 339 H CA 2.245 58.307 56.048 0.023 0.000 1.308 339 H CB -0.152 29.614 29.762 0.007 0.000 1.375 339 H HN -0.001 nan 8.280 nan 0.000 0.495 340 V N 0.611 120.568 119.914 0.071 0.000 2.261 340 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 340 V C 2.689 178.782 176.094 -0.000 0.000 1.047 340 V CA 1.958 64.262 62.300 0.006 0.000 1.015 340 V CB -0.635 31.218 31.823 0.051 0.000 0.642 340 V HN 0.412 nan 8.190 nan 0.000 0.446 341 L N -0.335 120.937 121.223 0.082 0.000 2.083 341 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 341 L C 2.609 179.611 176.870 0.221 0.000 1.083 341 L CA 1.537 56.515 54.840 0.229 0.000 0.752 341 L CB -0.647 41.543 42.059 0.219 0.000 0.899 341 L HN 0.285 nan 8.230 nan 0.000 0.433 342 S N -0.345 115.414 115.700 0.097 0.000 2.368 342 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 342 S C 2.057 176.641 174.600 -0.026 0.000 1.030 342 S CA 1.127 59.361 58.200 0.057 0.000 0.999 342 S CB -0.190 63.021 63.200 0.020 0.000 0.844 342 S HN 0.358 nan 8.310 nan 0.000 0.459 343 R N 0.632 121.060 120.500 -0.120 0.000 2.081 343 R HA 0.007 4.347 4.340 -0.001 0.000 0.235 343 R C 2.407 178.665 176.300 -0.070 0.000 1.131 343 R CA 1.429 57.450 56.100 -0.131 0.000 0.960 343 R CB -0.360 29.815 30.300 -0.209 0.000 0.856 343 R HN 0.400 nan 8.270 nan 0.000 0.436 344 M N -0.129 119.412 119.600 -0.097 0.000 2.080 344 M HA -0.165 4.315 4.480 -0.001 0.000 0.260 344 M C 2.511 178.635 176.300 -0.294 0.000 1.068 344 M CA 1.866 57.074 55.300 -0.154 0.000 1.109 344 M CB -0.289 32.102 32.600 -0.349 0.000 1.342 344 M HN 0.264 nan 8.290 nan 0.000 0.405 345 A N -0.006 122.564 122.820 -0.415 0.000 1.902 345 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 345 A C 2.059 179.605 177.584 -0.064 0.000 1.181 345 A CA 1.327 53.148 52.037 -0.360 0.000 0.623 345 A CB -0.770 18.242 19.000 0.020 0.000 0.818 345 A HN 0.422 nan 8.150 nan 0.000 0.443 346 L N -0.208 121.026 121.223 0.018 0.000 2.083 346 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 346 L C 2.543 179.552 176.870 0.233 0.000 1.083 346 L CA 2.487 57.409 54.840 0.137 0.000 0.752 346 L CB -0.678 41.436 42.059 0.091 0.000 0.899 346 L HN 0.616 nan 8.230 nan 0.000 0.433 347 Q N -0.832 119.063 119.800 0.158 0.000 2.084 347 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 347 Q C 2.247 178.374 176.000 0.213 0.000 0.978 347 Q CA 1.984 57.924 55.803 0.229 0.000 0.844 347 Q CB -0.178 28.689 28.738 0.214 0.000 0.898 347 Q HN 0.584 nan 8.270 nan 0.000 0.426 348 L N 0.531 121.812 121.223 0.097 0.000 2.093 348 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 348 L C 2.485 179.471 176.870 0.193 0.000 1.085 348 L CA 0.881 55.793 54.840 0.120 0.000 0.755 348 L CB -0.454 41.588 42.059 -0.029 0.000 0.904 348 L HN 0.258 nan 8.230 nan 0.000 0.435 349 E N 0.332 120.619 120.200 0.144 0.000 2.058 349 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 349 E C 2.170 178.812 176.600 0.070 0.000 0.997 349 E CA 1.547 58.013 56.400 0.110 0.000 0.801 349 E CB -0.329 29.436 29.700 0.108 0.000 0.746 349 E HN 0.556 nan 8.360 nan 0.000 0.450 350 G N 1.084 109.962 108.800 0.131 0.000 2.402 350 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 350 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 350 G C 1.526 176.445 174.900 0.030 0.000 1.162 350 G CA 0.559 45.646 45.100 -0.022 0.000 0.777 350 G HN 0.236 nan 8.290 nan 0.000 0.539 351 Q N -0.246 119.648 119.800 0.157 0.000 2.096 351 Q HA -0.100 4.240 4.340 -0.001 0.000 0.204 351 Q C 2.848 178.778 176.000 -0.116 0.000 0.982 351 Q CA 1.767 57.626 55.803 0.094 0.000 0.850 351 Q CB -0.311 28.524 28.738 0.162 0.000 0.901 351 Q HN 0.421 nan 8.270 nan 0.000 0.422 352 T N 0.770 115.281 114.554 -0.073 0.000 2.746 352 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 352 T C 1.898 176.676 174.700 0.130 0.000 1.039 352 T CA 1.198 63.304 62.100 0.010 0.000 1.142 352 T CB -0.278 68.658 68.868 0.113 0.000 0.866 352 T HN 0.399 nan 8.240 nan 0.000 0.444 353 A N 1.820 124.660 122.820 0.034 0.000 1.877 353 A HA 0.001 4.321 4.320 -0.001 0.000 0.216 353 A C 2.283 179.886 177.584 0.032 0.000 1.186 353 A CA 1.051 53.093 52.037 0.008 0.000 0.620 353 A CB -0.811 18.142 19.000 -0.078 0.000 0.822 353 A HN 0.406 nan 8.150 nan 0.000 0.443 354 L N -0.213 121.008 121.223 -0.003 0.000 2.027 354 L HA -0.094 4.246 4.340 -0.001 0.000 0.206 354 L C 2.351 179.313 176.870 0.152 0.000 1.074 354 L CA 1.889 56.752 54.840 0.038 0.000 0.745 354 L CB -1.011 41.003 42.059 -0.075 0.000 0.898 354 L HN 0.448 nan 8.230 nan 0.000 0.433 355 L N -1.173 120.115 121.223 0.107 0.000 2.046 355 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 355 L C 2.528 179.421 176.870 0.038 0.000 1.077 355 L CA 1.272 56.157 54.840 0.074 0.000 0.747 355 L CB -0.536 41.408 42.059 -0.193 0.000 0.896 355 L HN 0.139 nan 8.230 nan 0.000 0.432 356 F N -0.439 119.594 119.950 0.138 0.000 2.259 356 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 356 F C 2.695 178.539 175.800 0.073 0.000 1.088 356 F CA 0.796 58.869 58.000 0.122 0.000 1.358 356 F CB -0.226 38.797 39.000 0.038 0.000 1.040 356 F HN -0.045 nan 8.300 nan 0.000 0.505 357 R N 0.849 121.423 120.500 0.123 0.000 2.096 357 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 357 R C 1.987 178.291 176.300 0.006 0.000 1.127 357 R CA 1.299 57.371 56.100 -0.048 0.000 0.968 357 R CB -0.993 29.198 30.300 -0.181 0.000 0.861 357 R HN 0.294 nan 8.270 nan 0.000 0.440 358 L N 0.214 121.595 121.223 0.264 0.000 2.056 358 L HA 0.101 4.441 4.340 -0.001 0.000 0.207 358 L C 2.100 179.135 176.870 0.276 0.000 1.078 358 L CA 2.127 57.241 54.840 0.456 0.000 0.749 358 L CB -0.969 41.479 42.059 0.649 0.000 0.901 358 L HN 0.262 nan 8.230 nan 0.000 0.433 359 A N -0.350 122.572 122.820 0.170 0.000 1.940 359 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 359 A C 2.540 180.178 177.584 0.090 0.000 1.176 359 A CA 1.766 53.836 52.037 0.055 0.000 0.631 359 A CB -0.700 18.358 19.000 0.096 0.000 0.814 359 A HN 0.493 nan 8.150 nan 0.000 0.446 360 R N -0.163 120.379 120.500 0.069 0.000 2.092 360 R HA -0.057 4.283 4.340 -0.001 0.000 0.231 360 R C 2.238 178.510 176.300 -0.048 0.000 1.119 360 R CA 1.432 57.544 56.100 0.019 0.000 0.970 360 R CB -0.510 29.774 30.300 -0.027 0.000 0.864 360 R HN 0.430 nan 8.270 nan 0.000 0.440 361 A N 0.274 123.053 122.820 -0.068 0.000 1.877 361 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 361 A C 1.953 179.414 177.584 -0.206 0.000 1.186 361 A CA 1.330 53.299 52.037 -0.114 0.000 0.620 361 A CB -1.098 17.905 19.000 0.005 0.000 0.822 361 A HN 0.546 nan 8.150 nan 0.000 0.443 362 W N -0.211 120.871 121.300 -0.364 0.000 2.363 362 W HA -0.114 4.545 4.660 -0.001 0.000 0.296 362 W C 1.964 178.118 176.519 -0.608 0.000 1.212 362 W CA 1.395 58.334 57.345 -0.676 0.000 1.260 362 W CB -0.266 28.288 29.460 -1.510 0.000 1.131 362 W HN 0.502 nan 8.180 nan 0.000 0.530 363 D N -0.269 120.012 120.400 -0.199 0.000 2.144 363 D HA -0.121 4.518 4.640 -0.001 0.000 0.199 363 D C 1.441 177.748 176.300 0.011 0.000 0.984 363 D CA 1.146 55.143 54.000 -0.004 0.000 0.834 363 D CB 0.064 40.929 40.800 0.109 0.000 0.955 363 D HN 0.004 nan 8.370 nan 0.000 0.465 364 R N -0.921 119.559 120.500 -0.034 0.000 2.586 364 R HA 0.106 4.446 4.340 -0.001 0.000 0.306 364 R C 1.372 177.639 176.300 -0.054 0.000 1.079 364 R CA -0.089 55.994 56.100 -0.029 0.000 1.083 364 R CB 0.411 30.688 30.300 -0.039 0.000 1.306 364 R HN 0.021 nan 8.270 nan 0.000 0.567 365 R N -0.824 119.633 120.500 -0.072 0.000 2.341 365 R HA 0.080 4.419 4.340 -0.001 0.000 0.213 365 R C 1.704 177.969 176.300 -0.059 0.000 1.082 365 R CA 0.964 57.001 56.100 -0.106 0.000 1.017 365 R CB -1.059 29.154 30.300 -0.146 0.000 0.860 365 R HN 0.319 nan 8.270 nan 0.000 0.473 366 A N 0.777 123.582 122.820 -0.026 0.000 2.067 366 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 366 A C 1.171 178.740 177.584 -0.026 0.000 1.158 366 A CA 1.041 53.067 52.037 -0.017 0.000 0.661 366 A CB -0.384 18.615 19.000 -0.002 0.000 0.801 366 A HN 0.606 nan 8.150 nan 0.000 0.452 367 D N -0.271 120.108 120.400 -0.035 0.000 2.295 367 D HA 0.482 5.121 4.640 -0.001 0.000 0.248 367 D C 1.157 177.433 176.300 -0.041 0.000 1.154 367 D CA 0.421 54.400 54.000 -0.035 0.000 0.857 367 D CB 1.382 42.159 40.800 -0.038 0.000 1.117 367 D HN 0.083 nan 8.370 nan 0.000 0.468 368 A N 3.938 126.739 122.820 -0.031 0.000 1.978 368 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 368 A C 2.174 179.746 177.584 -0.020 0.000 1.170 368 A CA 1.335 53.354 52.037 -0.030 0.000 0.636 368 A CB -0.116 18.871 19.000 -0.021 0.000 0.810 368 A HN 0.531 nan 8.150 nan 0.000 0.448 369 K N -0.448 119.946 120.400 -0.010 0.000 2.116 369 K HA -0.019 4.301 4.320 -0.001 0.000 0.203 369 K C 1.967 178.587 176.600 0.034 0.000 1.052 369 K CA 1.155 57.452 56.287 0.018 0.000 0.952 369 K CB -0.430 32.076 32.500 0.011 0.000 0.729 369 K HN 0.701 nan 8.250 nan 0.000 0.446 370 E N 0.630 120.819 120.200 -0.019 0.000 2.072 370 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 370 E C 2.289 178.853 176.600 -0.060 0.000 0.985 370 E CA 1.381 57.757 56.400 -0.040 0.000 0.801 370 E CB -0.507 29.139 29.700 -0.089 0.000 0.750 370 E HN 0.409 nan 8.360 nan 0.000 0.452 371 A N 1.454 124.210 122.820 -0.106 0.000 1.908 371 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 371 A C 2.247 179.743 177.584 -0.146 0.000 1.181 371 A CA 1.394 53.318 52.037 -0.189 0.000 0.627 371 A CB -0.587 18.325 19.000 -0.147 0.000 0.818 371 A HN 0.230 nan 8.150 nan 0.000 0.445 372 L N -2.075 119.126 121.223 -0.038 0.000 2.056 372 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 372 L C 2.099 179.006 176.870 0.062 0.000 1.078 372 L CA 1.821 56.660 54.840 -0.002 0.000 0.749 372 L CB -0.835 41.240 42.059 0.028 0.000 0.901 372 L HN 0.600 nan 8.230 nan 0.000 0.433 373 W N 0.141 121.421 121.300 -0.033 0.000 2.335 373 W HA -0.234 4.426 4.660 -0.001 0.000 0.311 373 W C 2.476 179.043 176.519 0.079 0.000 1.213 373 W CA 2.791 60.190 57.345 0.090 0.000 1.274 373 W CB -0.360 29.117 29.460 0.029 0.000 1.148 373 W HN 0.274 nan 8.180 nan 0.000 0.498 374 A N 0.003 122.889 122.820 0.110 0.000 1.902 374 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 374 A C 1.900 179.384 177.584 -0.166 0.000 1.181 374 A CA 2.047 53.969 52.037 -0.191 0.000 0.623 374 A CB -0.855 17.553 19.000 -0.986 0.000 0.818 374 A HN 0.254 nan 8.150 nan 0.000 0.443 375 R N -0.489 119.895 120.500 -0.193 0.000 2.091 375 R HA -0.125 4.215 4.340 -0.001 0.000 0.238 375 R C 1.842 178.107 176.300 -0.058 0.000 1.136 375 R CA 1.930 57.969 56.100 -0.101 0.000 0.959 375 R CB -0.802 29.439 30.300 -0.099 0.000 0.856 375 R HN 0.451 nan 8.270 nan 0.000 0.437 376 L N -1.074 120.075 121.223 -0.123 0.000 2.102 376 L HA 0.163 4.502 4.340 -0.001 0.000 0.202 376 L C 1.705 178.366 176.870 -0.348 0.000 1.076 376 L CA 1.660 56.340 54.840 -0.267 0.000 0.761 376 L CB -0.483 41.328 42.059 -0.415 0.000 0.921 376 L HN 0.162 nan 8.230 nan 0.000 0.444 377 F N -0.755 119.043 119.950 -0.252 0.000 2.615 377 F HA -0.030 4.496 4.527 -0.001 0.000 0.297 377 F C 2.250 178.097 175.800 0.078 0.000 1.124 377 F CA 1.061 58.937 58.000 -0.206 0.000 1.451 377 F CB -0.847 37.754 39.000 -0.666 0.000 1.103 377 F HN 0.006 nan 8.300 nan 0.000 0.569 378 T N 1.583 116.324 114.554 0.312 0.000 2.643 378 T HA -0.127 4.222 4.350 -0.001 0.000 0.264 378 T C -0.364 174.520 174.700 0.307 0.000 1.045 378 T CA 1.605 63.959 62.100 0.423 0.000 1.155 378 T CB -1.363 67.860 68.868 0.592 0.000 0.863 378 T HN 0.121 nan 8.240 nan 0.000 0.420 379 P HA 0.043 nan 4.420 nan 0.000 0.218 379 P C 1.354 178.768 177.300 0.190 0.000 1.149 379 P CA 1.168 64.377 63.100 0.181 0.000 0.817 379 P CB -0.180 31.588 31.700 0.113 0.000 0.785 380 A N 0.744 123.671 122.820 0.179 0.000 1.873 380 A HA -0.037 4.283 4.320 -0.001 0.000 0.215 380 A C 2.492 180.255 177.584 0.299 0.000 1.186 380 A CA 2.108 54.293 52.037 0.246 0.000 0.616 380 A CB -1.518 17.610 19.000 0.213 0.000 0.823 380 A HN 0.213 nan 8.150 nan 0.000 0.442 381 A N -0.102 122.941 122.820 0.371 0.000 1.877 381 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 381 A C 2.145 179.774 177.584 0.076 0.000 1.186 381 A CA 2.069 54.290 52.037 0.308 0.000 0.620 381 A CB -0.506 18.745 19.000 0.418 0.000 0.822 381 A HN 0.566 nan 8.150 nan 0.000 0.443 382 K N -1.254 119.225 120.400 0.132 0.000 2.032 382 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 382 K C 1.873 178.512 176.600 0.065 0.000 1.048 382 K CA 1.820 58.158 56.287 0.085 0.000 0.927 382 K CB -0.387 32.198 32.500 0.143 0.000 0.712 382 K HN 0.455 nan 8.250 nan 0.000 0.441 383 F N 0.916 120.854 119.950 -0.020 0.000 2.046 383 F HA -0.259 4.267 4.527 -0.001 0.000 0.297 383 F C 1.801 177.523 175.800 -0.130 0.000 1.123 383 F CA 1.717 59.687 58.000 -0.050 0.000 1.199 383 F CB -0.220 38.764 39.000 -0.026 0.000 0.972 383 F HN -0.167 nan 8.300 nan 0.000 0.474 384 V N 0.939 120.523 119.914 -0.548 0.000 2.323 384 V HA -0.263 3.856 4.120 -0.001 0.000 0.244 384 V C 2.323 178.061 176.094 -0.593 0.000 1.041 384 V CA 1.978 63.789 62.300 -0.816 0.000 1.025 384 V CB -0.528 30.714 31.823 -0.969 0.000 0.656 384 V HN 0.398 nan 8.190 nan 0.000 0.451 385 I N -0.332 119.960 120.570 -0.464 0.000 2.252 385 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 385 I C 2.523 178.528 176.117 -0.188 0.000 1.102 385 I CA 1.432 62.586 61.300 -0.243 0.000 1.385 385 I CB -0.494 37.443 38.000 -0.106 0.000 1.064 385 I HN 0.352 nan 8.210 nan 0.000 0.414 386 C N 0.504 119.698 119.300 -0.178 0.000 2.435 386 C HA -0.134 4.326 4.460 -0.001 0.000 0.279 386 C C 2.808 177.708 174.990 -0.150 0.000 1.321 386 C CA 0.702 59.647 59.018 -0.122 0.000 1.752 386 C CB -0.928 26.774 27.740 -0.063 0.000 1.959 386 C HN 0.457 nan 8.230 nan 0.000 0.500 387 K N 0.832 121.072 120.400 -0.267 0.000 2.062 387 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 387 K C 2.248 178.737 176.600 -0.186 0.000 1.051 387 K CA 1.077 57.201 56.287 -0.271 0.000 0.941 387 K CB -0.177 32.007 32.500 -0.527 0.000 0.719 387 K HN 0.388 nan 8.250 nan 0.000 0.440 388 R N -0.186 120.198 120.500 -0.193 0.000 2.193 388 R HA -0.079 4.260 4.340 -0.001 0.000 0.229 388 R C 2.307 178.614 176.300 0.011 0.000 1.110 388 R CA 1.062 57.116 56.100 -0.077 0.000 0.988 388 R CB -0.364 29.894 30.300 -0.069 0.000 0.871 388 R HN 0.397 nan 8.270 nan 0.000 0.458 389 G N 0.904 109.685 108.800 -0.031 0.000 2.440 389 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 389 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 389 G C 1.200 176.157 174.900 0.096 0.000 1.154 389 G CA 0.798 45.905 45.100 0.011 0.000 0.767 389 G HN 0.121 nan 8.290 nan 0.000 0.552 390 M N 1.132 120.762 119.600 0.049 0.000 2.064 390 M HA 0.040 4.520 4.480 -0.001 0.000 0.260 390 M C 0.035 176.444 176.300 0.182 0.000 1.073 390 M CA 1.597 56.938 55.300 0.069 0.000 1.124 390 M CB -1.064 31.529 32.600 -0.011 0.000 1.326 390 M HN 0.119 nan 8.290 nan 0.000 0.410 391 P HA -0.140 nan 4.420 nan 0.000 0.221 391 P C 1.623 179.022 177.300 0.164 0.000 1.150 391 P CA 1.302 64.487 63.100 0.143 0.000 0.800 391 P CB -0.246 31.506 31.700 0.088 0.000 0.787 392 F N 1.289 121.272 119.950 0.054 0.000 2.113 392 F HA -0.153 4.373 4.527 -0.001 0.000 0.297 392 F C 2.140 177.993 175.800 0.087 0.000 1.103 392 F CA 1.341 59.374 58.000 0.055 0.000 1.248 392 F CB -0.862 38.157 39.000 0.031 0.000 0.999 392 F HN -0.331 nan 8.300 nan 0.000 0.475 393 V N 0.391 120.550 119.914 0.409 0.000 2.427 393 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 393 V C 2.700 178.911 176.094 0.195 0.000 1.051 393 V CA 1.559 64.051 62.300 0.320 0.000 1.048 393 V CB -1.524 30.486 31.823 0.312 0.000 0.666 393 V HN 0.469 nan 8.190 nan 0.000 0.456 394 A N 0.080 123.024 122.820 0.206 0.000 1.933 394 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 394 A C 2.200 179.777 177.584 -0.012 0.000 1.175 394 A CA 2.143 54.211 52.037 0.051 0.000 0.628 394 A CB -0.458 18.601 19.000 0.098 0.000 0.814 394 A HN 0.571 nan 8.150 nan 0.000 0.444 395 E N 0.150 120.337 120.200 -0.023 0.000 2.047 395 E HA -0.048 4.301 4.350 -0.001 0.000 0.191 395 E C 2.061 178.611 176.600 -0.082 0.000 0.987 395 E CA 1.548 57.900 56.400 -0.079 0.000 0.799 395 E CB -0.476 29.132 29.700 -0.154 0.000 0.752 395 E HN 0.462 nan 8.360 nan 0.000 0.449 396 A N 0.892 123.662 122.820 -0.083 0.000 1.917 396 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 396 A C 2.360 179.920 177.584 -0.040 0.000 1.182 396 A CA 2.095 54.112 52.037 -0.032 0.000 0.633 396 A CB -0.786 18.244 19.000 0.050 0.000 0.819 396 A HN 0.516 nan 8.150 nan 0.000 0.448 397 M N -0.898 118.682 119.600 -0.033 0.000 2.117 397 M HA -0.197 4.283 4.480 -0.001 0.000 0.262 397 M C 2.060 178.315 176.300 -0.075 0.000 1.065 397 M CA 2.371 57.638 55.300 -0.055 0.000 1.114 397 M CB -0.194 32.365 32.600 -0.068 0.000 1.361 397 M HN 0.605 nan 8.290 nan 0.000 0.408 398 E N -0.631 119.528 120.200 -0.068 0.000 2.204 398 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 398 E C 1.719 178.283 176.600 -0.059 0.000 0.989 398 E CA 1.123 57.484 56.400 -0.064 0.000 0.824 398 E CB 0.084 29.751 29.700 -0.055 0.000 0.756 398 E HN 0.448 nan 8.360 nan 0.000 0.477 399 V N 0.800 120.677 119.914 -0.062 0.000 2.332 399 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 399 V C 2.215 178.232 176.094 -0.128 0.000 1.055 399 V CA 1.307 63.579 62.300 -0.047 0.000 1.038 399 V CB -0.384 31.424 31.823 -0.026 0.000 0.651 399 V HN 0.295 nan 8.190 nan 0.000 0.450 400 L N -0.365 120.691 121.223 -0.278 0.000 2.156 400 L HA 0.263 4.603 4.340 -0.001 0.000 0.208 400 L C 1.473 178.186 176.870 -0.261 0.000 1.095 400 L CA 1.867 56.361 54.840 -0.577 0.000 0.770 400 L CB -1.059 40.738 42.059 -0.437 0.000 0.914 400 L HN 0.571 nan 8.230 nan 0.000 0.439 401 G N -1.566 107.158 108.800 -0.126 0.000 2.499 401 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.232 401 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.232 401 G C 0.871 175.741 174.900 -0.049 0.000 1.251 401 G CA -0.091 44.971 45.100 -0.065 0.000 0.917 401 G HN 0.394 nan 8.290 nan 0.000 0.580 402 G N 0.273 109.052 108.800 -0.034 0.000 2.442 402 G HA2 0.067 4.026 3.960 -0.001 0.000 0.219 402 G HA3 0.067 4.026 3.960 -0.001 0.000 0.219 402 G C 1.998 176.916 174.900 0.030 0.000 1.141 402 G CA 2.205 47.300 45.100 -0.008 0.000 0.763 402 G HN 1.750 nan 8.290 nan 0.000 0.554 403 I N -1.211 119.360 120.570 0.002 0.000 2.567 403 I HA 0.115 4.285 4.170 -0.001 0.000 0.257 403 I C 2.349 178.464 176.117 -0.003 0.000 1.184 403 I CA 1.239 62.542 61.300 0.006 0.000 1.451 403 I CB -0.374 37.630 38.000 0.006 0.000 1.089 403 I HN 0.018 nan 8.210 nan 0.000 0.441 404 G N -0.252 108.535 108.800 -0.022 0.000 2.650 404 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.214 404 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.214 404 G C 1.394 176.312 174.900 0.029 0.000 1.136 404 G CA 0.131 45.216 45.100 -0.026 0.000 0.789 404 G HN 0.594 nan 8.290 nan 0.000 0.536 405 Y N 0.105 120.356 120.300 -0.083 0.000 2.466 405 Y HA 0.292 4.841 4.550 -0.001 0.000 0.272 405 Y C 0.790 176.662 175.900 -0.047 0.000 1.169 405 Y CA -0.787 57.265 58.100 -0.080 0.000 1.285 405 Y CB 0.239 38.650 38.460 -0.080 0.000 1.078 405 Y HN 0.054 nan 8.280 nan 0.000 0.523 406 C N 1.502 120.791 119.300 -0.017 0.000 2.350 406 C HA 0.134 4.594 4.460 -0.001 0.000 0.348 406 C C 1.604 176.551 174.990 -0.072 0.000 1.260 406 C CA -0.826 58.163 59.018 -0.048 0.000 1.966 406 C CB 1.043 28.785 27.740 0.003 0.000 2.380 406 C HN 0.424 nan 8.230 nan 0.000 0.535 407 E N 1.162 121.313 120.200 -0.082 0.000 2.409 407 E HA -0.135 4.214 4.350 -0.001 0.000 0.198 407 E C 1.516 178.094 176.600 -0.037 0.000 1.024 407 E CA 1.063 57.423 56.400 -0.066 0.000 0.861 407 E CB 0.108 29.769 29.700 -0.065 0.000 0.788 407 E HN 0.695 nan 8.360 nan 0.000 0.521 408 E N 0.691 120.876 120.200 -0.026 0.000 2.204 408 E HA -0.070 4.279 4.350 -0.001 0.000 0.195 408 E C 1.019 177.613 176.600 -0.011 0.000 0.990 408 E CA 0.420 56.811 56.400 -0.014 0.000 0.821 408 E CB 0.001 29.698 29.700 -0.004 0.000 0.750 408 E HN -0.072 nan 8.360 nan 0.000 0.477 409 S N -0.218 115.473 115.700 -0.015 0.000 2.601 409 S HA 0.050 4.520 4.470 -0.001 0.000 0.271 409 S C 0.852 175.446 174.600 -0.011 0.000 1.305 409 S CA -0.488 57.706 58.200 -0.010 0.000 1.022 409 S CB 0.891 64.081 63.200 -0.015 0.000 0.940 409 S HN 0.097 nan 8.310 nan 0.000 0.525 410 E N 2.073 122.271 120.200 -0.004 0.000 2.268 410 E HA -0.082 4.267 4.350 -0.001 0.000 0.195 410 E C 1.540 178.148 176.600 0.013 0.000 0.995 410 E CA 0.463 56.863 56.400 -0.000 0.000 0.836 410 E CB -0.042 29.657 29.700 -0.000 0.000 0.763 410 E HN 0.505 nan 8.360 nan 0.000 0.491 411 L N 0.573 121.803 121.223 0.012 0.000 2.046 411 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 411 L C -0.556 176.346 176.870 0.054 0.000 1.077 411 L CA 1.908 56.767 54.840 0.032 0.000 0.747 411 L CB -1.937 40.128 42.059 0.010 0.000 0.896 411 L HN 0.070 nan 8.230 nan 0.000 0.432 412 P HA -0.167 nan 4.420 nan 0.000 0.215 412 P C 1.756 179.105 177.300 0.082 0.000 1.157 412 P CA 1.297 64.411 63.100 0.024 0.000 0.868 412 P CB -0.102 31.553 31.700 -0.076 0.000 0.788 413 R N -0.115 120.408 120.500 0.038 0.000 2.091 413 R HA -0.124 4.216 4.340 -0.001 0.000 0.238 413 R C 2.168 178.499 176.300 0.051 0.000 1.136 413 R CA 1.383 57.504 56.100 0.034 0.000 0.959 413 R CB -1.023 29.284 30.300 0.012 0.000 0.856 413 R HN 0.120 nan 8.270 nan 0.000 0.437 414 L N -0.527 120.736 121.223 0.067 0.000 2.012 414 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 414 L C 2.441 179.375 176.870 0.107 0.000 1.073 414 L CA 1.606 56.491 54.840 0.075 0.000 0.748 414 L CB -0.737 41.375 42.059 0.089 0.000 0.891 414 L HN 0.267 nan 8.230 nan 0.000 0.431 415 Y N 0.933 121.246 120.300 0.022 0.000 2.165 415 Y HA -0.240 4.310 4.550 -0.001 0.000 0.286 415 Y C 2.698 178.611 175.900 0.021 0.000 1.155 415 Y CA 1.532 59.650 58.100 0.030 0.000 1.164 415 Y CB -0.172 38.304 38.460 0.028 0.000 0.978 415 Y HN -0.005 nan 8.280 nan 0.000 0.513 416 R N -0.450 120.058 120.500 0.014 0.000 2.189 416 R HA -0.121 4.218 4.340 -0.001 0.000 0.218 416 R C 1.996 178.251 176.300 -0.075 0.000 1.074 416 R CA 1.185 57.243 56.100 -0.069 0.000 0.991 416 R CB -0.125 30.185 30.300 0.016 0.000 0.883 416 R HN 0.296 nan 8.270 nan 0.000 0.457 417 E N 0.452 120.629 120.200 -0.039 0.000 2.152 417 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 417 E C 1.738 178.310 176.600 -0.045 0.000 0.983 417 E CA 0.911 57.296 56.400 -0.025 0.000 0.818 417 E CB 0.148 29.845 29.700 -0.005 0.000 0.758 417 E HN 0.026 nan 8.360 nan 0.000 0.467 418 M N 0.307 119.860 119.600 -0.078 0.000 2.106 418 M HA -0.100 4.380 4.480 -0.001 0.000 0.259 418 M C -0.775 175.485 176.300 -0.067 0.000 1.068 418 M CA 1.510 56.768 55.300 -0.070 0.000 1.100 418 M CB -2.147 30.407 32.600 -0.076 0.000 1.351 418 M HN 0.071 nan 8.290 nan 0.000 0.404 419 P HA -0.051 nan 4.420 nan 0.000 0.221 419 P C 2.042 179.338 177.300 -0.006 0.000 1.150 419 P CA 0.717 63.785 63.100 -0.054 0.000 0.800 419 P CB -0.086 31.571 31.700 -0.071 0.000 0.787 420 V N 0.158 120.077 119.914 0.008 0.000 2.407 420 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 420 V C 1.605 177.756 176.094 0.094 0.000 1.055 420 V CA 2.219 64.553 62.300 0.057 0.000 1.049 420 V CB -1.051 30.813 31.823 0.069 0.000 0.662 420 V HN 0.082 nan 8.190 nan 0.000 0.455 421 N N -0.449 118.278 118.700 0.046 0.000 2.331 421 N HA -0.097 4.643 4.740 -0.001 0.000 0.180 421 N C 1.936 177.495 175.510 0.081 0.000 1.019 421 N CA 1.397 54.471 53.050 0.039 0.000 0.881 421 N CB -0.316 38.158 38.487 -0.023 0.000 0.972 421 N HN 0.420 nan 8.380 nan 0.000 0.435 422 S N -0.114 115.618 115.700 0.053 0.000 2.406 422 S HA 0.155 4.625 4.470 -0.001 0.000 0.228 422 S C 1.676 176.335 174.600 0.099 0.000 1.020 422 S CA 0.477 58.713 58.200 0.059 0.000 0.965 422 S CB -0.087 63.119 63.200 0.010 0.000 0.798 422 S HN 0.199 nan 8.310 nan 0.000 0.488 423 I N 0.544 121.169 120.570 0.091 0.000 2.406 423 I HA -0.016 4.154 4.170 -0.001 0.000 0.249 423 I C 1.171 177.345 176.117 0.095 0.000 1.122 423 I CA -0.002 61.336 61.300 0.064 0.000 1.431 423 I CB -0.228 37.779 38.000 0.011 0.000 1.087 423 I HN 0.437 nan 8.210 nan 0.000 0.424 424 W N 4.161 125.444 121.300 -0.028 0.000 2.477 424 W HA -0.186 4.473 4.660 -0.000 0.000 0.339 424 W C 0.778 177.303 176.519 0.011 0.000 1.195 424 W CA 0.781 58.118 57.345 -0.013 0.000 1.324 424 W CB -0.025 29.443 29.460 0.014 0.000 1.170 424 W HN 0.313 nan 8.180 nan 0.000 0.570 425 E N 3.085 122.938 120.200 -0.578 0.000 2.252 425 E HA -0.242 4.108 4.350 -0.001 0.000 0.218 425 E C 0.924 177.472 176.600 -0.086 0.000 1.253 425 E CA 0.988 57.160 56.400 -0.381 0.000 0.705 425 E CB -1.288 28.314 29.700 -0.163 0.000 1.172 425 E HN 1.021 nan 8.360 nan 0.000 0.369 426 G N -0.685 108.061 108.800 -0.090 0.000 2.199 426 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.254 426 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.254 426 G C 0.319 175.227 174.900 0.013 0.000 0.982 426 G CA 0.349 45.432 45.100 -0.029 0.000 0.632 426 G HN 1.307 nan 8.290 nan 0.000 0.529 427 S N -2.600 113.128 115.700 0.046 0.000 3.795 427 S HA -0.014 4.455 4.470 -0.001 0.000 0.639 427 S C 1.898 176.566 174.600 0.113 0.000 2.014 427 S CA 0.990 59.239 58.200 0.082 0.000 2.183 427 S CB -1.170 62.060 63.200 0.051 0.000 0.328 427 S HN 1.968 nan 8.310 nan 0.000 1.794 428 G N 0.947 109.841 108.800 0.156 0.000 2.418 428 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 428 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 428 G C 1.064 175.994 174.900 0.050 0.000 1.158 428 G CA 1.399 46.659 45.100 0.267 0.000 0.771 428 G HN 0.637 nan 8.290 nan 0.000 0.545 429 N N 0.628 119.332 118.700 0.006 0.000 2.166 429 N HA -0.065 4.675 4.740 -0.001 0.000 0.186 429 N C 2.099 177.569 175.510 -0.066 0.000 1.019 429 N CA 0.563 53.568 53.050 -0.075 0.000 0.856 429 N CB -0.199 38.267 38.487 -0.035 0.000 0.993 429 N HN 0.176 nan 8.380 nan 0.000 0.426 430 I N 0.844 121.404 120.570 -0.016 0.000 2.286 430 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 430 I C 1.929 178.043 176.117 -0.004 0.000 1.115 430 I CA 0.867 62.163 61.300 -0.006 0.000 1.392 430 I CB -0.708 37.300 38.000 0.013 0.000 1.065 430 I HN 0.124 nan 8.210 nan 0.000 0.418 431 M N 0.199 119.810 119.600 0.017 0.000 2.080 431 M HA -0.223 4.256 4.480 -0.001 0.000 0.260 431 M C 2.649 178.918 176.300 -0.050 0.000 1.068 431 M CA 1.616 56.936 55.300 0.033 0.000 1.109 431 M CB -1.686 30.984 32.600 0.117 0.000 1.342 431 M HN 0.295 nan 8.290 nan 0.000 0.405 432 C N 0.085 119.280 119.300 -0.174 0.000 2.446 432 C HA -0.076 4.384 4.460 -0.001 0.000 0.277 432 C C 2.931 177.844 174.990 -0.128 0.000 1.275 432 C CA 0.373 59.252 59.018 -0.232 0.000 1.727 432 C CB -1.234 26.251 27.740 -0.425 0.000 2.010 432 C HN 0.509 nan 8.230 nan 0.000 0.486 433 L N 0.825 121.991 121.223 -0.095 0.000 2.131 433 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 433 L C 2.271 179.118 176.870 -0.038 0.000 1.092 433 L CA 1.639 56.444 54.840 -0.058 0.000 0.759 433 L CB -0.682 41.352 42.059 -0.042 0.000 0.903 433 L HN 0.332 nan 8.230 nan 0.000 0.435 434 D N -0.216 120.167 120.400 -0.029 0.000 2.123 434 D HA -0.131 4.509 4.640 -0.001 0.000 0.200 434 D C 2.195 178.480 176.300 -0.026 0.000 0.976 434 D CA 0.814 54.807 54.000 -0.012 0.000 0.831 434 D CB 0.187 40.996 40.800 0.015 0.000 0.974 434 D HN -0.021 nan 8.370 nan 0.000 0.469 435 V N 0.681 120.569 119.914 -0.044 0.000 2.287 435 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 435 V C 2.683 178.744 176.094 -0.056 0.000 1.053 435 V CA 1.298 63.557 62.300 -0.069 0.000 1.027 435 V CB -0.497 31.275 31.823 -0.085 0.000 0.646 435 V HN 0.325 nan 8.190 nan 0.000 0.447 436 L N -0.595 120.601 121.223 -0.046 0.000 2.046 436 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 436 L C 2.729 179.592 176.870 -0.011 0.000 1.077 436 L CA 1.901 56.727 54.840 -0.023 0.000 0.747 436 L CB -0.618 41.425 42.059 -0.027 0.000 0.896 436 L HN 0.287 nan 8.230 nan 0.000 0.432 437 R N -0.085 120.404 120.500 -0.017 0.000 2.091 437 R HA -0.157 4.182 4.340 -0.001 0.000 0.238 437 R C 2.210 178.503 176.300 -0.013 0.000 1.136 437 R CA 1.602 57.694 56.100 -0.013 0.000 0.959 437 R CB -0.162 30.130 30.300 -0.012 0.000 0.856 437 R HN 0.139 nan 8.270 nan 0.000 0.437 438 V N 1.205 121.107 119.914 -0.019 0.000 2.307 438 V HA -0.241 3.879 4.120 -0.001 0.000 0.245 438 V C 2.334 178.429 176.094 0.002 0.000 1.045 438 V CA 1.698 63.985 62.300 -0.022 0.000 1.024 438 V CB -0.399 31.395 31.823 -0.048 0.000 0.651 438 V HN 0.337 nan 8.190 nan 0.000 0.449 439 L N 0.417 121.654 121.223 0.024 0.000 2.083 439 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 439 L C 2.429 179.369 176.870 0.116 0.000 1.083 439 L CA 1.990 56.907 54.840 0.130 0.000 0.752 439 L CB -0.698 41.443 42.059 0.136 0.000 0.899 439 L HN 0.438 nan 8.230 nan 0.000 0.433 440 N N -0.169 118.553 118.700 0.036 0.000 2.135 440 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 440 N C 1.783 177.259 175.510 -0.056 0.000 1.027 440 N CA 1.343 54.383 53.050 -0.018 0.000 0.849 440 N CB 0.202 38.683 38.487 -0.010 0.000 1.002 440 N HN -0.053 nan 8.380 nan 0.000 0.425 441 K N -1.125 119.253 120.400 -0.036 0.000 2.370 441 K HA 0.229 4.549 4.320 -0.001 0.000 0.194 441 K C 0.337 176.913 176.600 -0.041 0.000 1.070 441 K CA -0.066 56.197 56.287 -0.040 0.000 0.998 441 K CB 0.180 32.664 32.500 -0.027 0.000 0.911 441 K HN 0.300 nan 8.250 nan 0.000 0.533 442 Q N 1.100 120.881 119.800 -0.032 0.000 2.314 442 Q HA 0.509 4.848 4.340 -0.001 0.000 0.257 442 Q C -0.513 175.470 176.000 -0.029 0.000 0.975 442 Q CA -0.155 55.633 55.803 -0.025 0.000 0.933 442 Q CB 1.029 29.757 28.738 -0.017 0.000 1.195 442 Q HN 0.413 nan 8.270 nan 0.000 0.426 443 A N 3.094 125.896 122.820 -0.031 0.000 2.520 443 A HA 0.452 4.772 4.320 -0.001 0.000 0.245 443 A C 1.223 178.801 177.584 -0.011 0.000 1.072 443 A CA 0.674 52.692 52.037 -0.031 0.000 0.761 443 A CB -0.409 18.574 19.000 -0.028 0.000 1.004 443 A HN 1.296 nan 8.150 nan 0.000 0.499 444 G N 1.057 109.856 108.800 -0.002 0.000 2.213 444 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.236 444 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.236 444 G C 0.971 175.907 174.900 0.061 0.000 0.991 444 G CA 0.520 45.635 45.100 0.024 0.000 0.629 444 G HN 1.155 nan 8.290 nan 0.000 0.517 445 V N 0.339 120.301 119.914 0.081 0.000 2.295 445 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 445 V C 2.332 178.552 176.094 0.211 0.000 1.049 445 V CA 2.616 64.995 62.300 0.132 0.000 1.024 445 V CB -0.695 31.221 31.823 0.155 0.000 0.648 445 V HN 0.461 nan 8.190 nan 0.000 0.447 446 Y N 1.213 121.504 120.300 -0.014 0.000 2.224 446 Y HA -0.171 4.378 4.550 -0.001 0.000 0.289 446 Y C 2.680 178.577 175.900 -0.007 0.000 1.146 446 Y CA 1.030 59.128 58.100 -0.003 0.000 1.182 446 Y CB -1.439 37.026 38.460 0.008 0.000 0.983 446 Y HN 0.506 nan 8.280 nan 0.000 0.524 447 D N 0.110 120.603 120.400 0.155 0.000 2.117 447 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 447 D C 2.186 178.508 176.300 0.036 0.000 0.987 447 D CA 1.378 55.425 54.000 0.077 0.000 0.829 447 D CB -0.824 40.011 40.800 0.058 0.000 0.961 447 D HN 0.337 nan 8.370 nan 0.000 0.460 448 L N -0.531 120.718 121.223 0.043 0.000 2.042 448 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 448 L C 2.657 179.505 176.870 -0.038 0.000 1.076 448 L CA 1.303 56.167 54.840 0.039 0.000 0.749 448 L CB -0.156 41.961 42.059 0.096 0.000 0.893 448 L HN 0.363 nan 8.230 nan 0.000 0.432 449 L N -1.260 119.893 121.223 -0.117 0.000 2.005 449 L HA -0.200 4.140 4.340 -0.001 0.000 0.207 449 L C 2.613 179.155 176.870 -0.547 0.000 1.072 449 L CA 1.433 56.013 54.840 -0.433 0.000 0.744 449 L CB -0.753 41.110 42.059 -0.327 0.000 0.895 449 L HN 0.214 nan 8.230 nan 0.000 0.433 450 S N -0.201 115.395 115.700 -0.174 0.000 2.365 450 S HA -0.296 4.174 4.470 -0.001 0.000 0.225 450 S C 2.302 176.893 174.600 -0.015 0.000 1.039 450 S CA 1.872 60.062 58.200 -0.017 0.000 1.033 450 S CB -0.601 62.629 63.200 0.049 0.000 0.887 450 S HN 0.621 nan 8.310 nan 0.000 0.447 451 E N 1.339 121.515 120.200 -0.039 0.000 2.038 451 E HA -0.044 4.305 4.350 -0.001 0.000 0.195 451 E C 2.258 178.846 176.600 -0.021 0.000 1.000 451 E CA 1.601 57.993 56.400 -0.013 0.000 0.803 451 E CB -1.361 28.332 29.700 -0.012 0.000 0.750 451 E HN 0.617 nan 8.360 nan 0.000 0.448 452 A N -0.180 122.585 122.820 -0.093 0.000 1.917 452 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 452 A C 2.292 179.944 177.584 0.112 0.000 1.182 452 A CA 1.736 53.737 52.037 -0.060 0.000 0.633 452 A CB -0.711 18.221 19.000 -0.113 0.000 0.819 452 A HN 0.569 nan 8.150 nan 0.000 0.448 453 F N -1.641 118.404 119.950 0.159 0.000 2.293 453 F HA -0.052 4.474 4.527 -0.001 0.000 0.297 453 F C 2.393 178.280 175.800 0.145 0.000 1.089 453 F CA 0.564 58.694 58.000 0.216 0.000 1.377 453 F CB -0.119 39.007 39.000 0.210 0.000 1.051 453 F HN 0.139 nan 8.300 nan 0.000 0.511 454 V N 0.298 120.360 119.914 0.247 0.000 2.515 454 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 454 V C 2.361 178.509 176.094 0.090 0.000 1.058 454 V CA 2.351 64.739 62.300 0.146 0.000 1.064 454 V CB -0.237 31.643 31.823 0.095 0.000 0.675 454 V HN 0.390 nan 8.190 nan 0.000 0.461 455 E N -0.309 119.930 120.200 0.066 0.000 2.209 455 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 455 E C 1.645 178.230 176.600 -0.026 0.000 0.993 455 E CA 1.756 58.159 56.400 0.005 0.000 0.819 455 E CB -0.184 29.503 29.700 -0.022 0.000 0.745 455 E HN 0.915 nan 8.360 nan 0.000 0.477 456 V N -2.676 117.235 119.914 -0.005 0.000 3.477 456 V HA 0.458 4.578 4.120 -0.001 0.000 0.297 456 V C 0.940 177.018 176.094 -0.028 0.000 1.433 456 V CA -0.148 62.097 62.300 -0.091 0.000 1.052 456 V CB -0.213 31.453 31.823 -0.262 0.000 0.895 456 V HN 0.170 nan 8.190 nan 0.000 0.438 457 K N 1.397 121.835 120.400 0.064 0.000 2.448 457 K HA 0.385 4.704 4.320 -0.001 0.000 0.278 457 K C 1.359 177.986 176.600 0.044 0.000 1.009 457 K CA 1.296 57.641 56.287 0.097 0.000 0.995 457 K CB 0.358 32.922 32.500 0.106 0.000 0.917 457 K HN 0.754 nan 8.250 nan 0.000 0.481 458 G N 2.718 111.546 108.800 0.047 0.000 2.241 458 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.244 458 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.244 458 G C 0.838 175.738 174.900 0.001 0.000 0.998 458 G CA 0.485 45.596 45.100 0.018 0.000 0.621 458 G HN 0.725 nan 8.290 nan 0.000 0.519 459 Q N -0.119 119.675 119.800 -0.011 0.000 2.172 459 Q HA 0.098 4.437 4.340 -0.001 0.000 0.200 459 Q C 0.481 176.477 176.000 -0.006 0.000 0.964 459 Q CA 1.314 57.098 55.803 -0.030 0.000 0.855 459 Q CB 0.295 28.984 28.738 -0.081 0.000 0.918 459 Q HN 0.606 nan 8.270 nan 0.000 0.444 460 D N -1.289 119.128 120.400 0.028 0.000 2.977 460 D HA 0.025 4.665 4.640 -0.001 0.000 0.220 460 D C 0.086 176.415 176.300 0.050 0.000 1.267 460 D CA -0.075 53.960 54.000 0.058 0.000 0.884 460 D CB 1.571 42.460 40.800 0.148 0.000 1.667 460 D HN -0.167 nan 8.370 nan 0.000 0.536 461 R N 3.045 123.476 120.500 -0.114 0.000 2.115 461 R HA -0.100 4.239 4.340 -0.001 0.000 0.230 461 R C 0.940 177.132 176.300 -0.180 0.000 1.111 461 R CA 1.493 57.465 56.100 -0.212 0.000 0.976 461 R CB -1.423 28.645 30.300 -0.385 0.000 0.870 461 R HN 0.686 nan 8.270 nan 0.000 0.445 462 Y N -0.978 119.372 120.300 0.084 0.000 2.263 462 Y HA 0.102 4.651 4.550 -0.001 0.000 0.292 462 Y C 2.157 178.098 175.900 0.069 0.000 1.130 462 Y CA 1.315 59.452 58.100 0.062 0.000 1.179 462 Y CB -0.513 37.985 38.460 0.064 0.000 0.998 462 Y HN 0.243 nan 8.280 nan 0.000 0.532 463 F N 1.487 121.522 119.950 0.141 0.000 2.102 463 F HA -0.233 4.294 4.527 -0.001 0.000 0.298 463 F C 1.815 177.601 175.800 -0.024 0.000 1.105 463 F CA 1.761 59.800 58.000 0.064 0.000 1.239 463 F CB -0.283 38.755 39.000 0.063 0.000 0.991 463 F HN -0.011 nan 8.300 nan 0.000 0.474 464 D N -0.262 120.220 120.400 0.137 0.000 2.178 464 D HA -0.153 4.486 4.640 -0.001 0.000 0.202 464 D C 2.339 178.592 176.300 -0.079 0.000 0.974 464 D CA 0.862 54.877 54.000 0.025 0.000 0.841 464 D CB -0.443 40.398 40.800 0.068 0.000 0.953 464 D HN 0.287 nan 8.370 nan 0.000 0.478 465 R N 0.580 121.048 120.500 -0.053 0.000 2.092 465 R HA -0.052 4.288 4.340 -0.001 0.000 0.231 465 R C 2.013 178.250 176.300 -0.105 0.000 1.119 465 R CA 1.254 57.323 56.100 -0.051 0.000 0.970 465 R CB -0.053 30.248 30.300 0.002 0.000 0.864 465 R HN 0.093 nan 8.270 nan 0.000 0.440 466 A N 0.183 122.901 122.820 -0.171 0.000 1.969 466 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 466 A C 2.205 179.579 177.584 -0.349 0.000 1.169 466 A CA 1.225 53.116 52.037 -0.243 0.000 0.635 466 A CB -0.341 18.491 19.000 -0.280 0.000 0.810 466 A HN 0.207 nan 8.150 nan 0.000 0.445 467 V N 0.185 119.805 119.914 -0.490 0.000 2.295 467 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 467 V C 2.640 178.597 176.094 -0.228 0.000 1.049 467 V CA 2.293 64.293 62.300 -0.501 0.000 1.024 467 V CB -0.816 30.697 31.823 -0.516 0.000 0.648 467 V HN 0.539 nan 8.190 nan 0.000 0.447 468 R N -0.261 120.150 120.500 -0.150 0.000 2.081 468 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 468 R C 2.594 178.854 176.300 -0.067 0.000 1.131 468 R CA 1.644 57.699 56.100 -0.075 0.000 0.960 468 R CB -0.497 29.775 30.300 -0.047 0.000 0.856 468 R HN 0.428 nan 8.270 nan 0.000 0.436 469 R N 1.376 121.827 120.500 -0.082 0.000 2.073 469 R HA -0.041 4.298 4.340 -0.001 0.000 0.234 469 R C 2.213 178.477 176.300 -0.059 0.000 1.134 469 R CA 1.322 57.387 56.100 -0.059 0.000 0.952 469 R CB -1.279 28.986 30.300 -0.058 0.000 0.850 469 R HN 0.397 nan 8.270 nan 0.000 0.433 470 L N 0.552 121.719 121.223 -0.093 0.000 2.012 470 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 470 L C 2.758 179.591 176.870 -0.061 0.000 1.073 470 L CA 2.431 57.225 54.840 -0.077 0.000 0.748 470 L CB -0.746 41.250 42.059 -0.106 0.000 0.891 470 L HN 0.496 nan 8.230 nan 0.000 0.431 471 Q N -0.963 118.800 119.800 -0.060 0.000 2.077 471 Q HA -0.314 4.026 4.340 -0.001 0.000 0.206 471 Q C 2.219 178.213 176.000 -0.010 0.000 0.989 471 Q CA 2.564 58.344 55.803 -0.038 0.000 0.853 471 Q CB -0.307 28.422 28.738 -0.015 0.000 0.907 471 Q HN 0.554 nan 8.270 nan 0.000 0.418 472 Q N 0.483 120.277 119.800 -0.009 0.000 2.020 472 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 472 Q C 2.005 178.010 176.000 0.009 0.000 0.982 472 Q CA 1.901 57.706 55.803 0.004 0.000 0.838 472 Q CB -0.437 28.300 28.738 -0.001 0.000 0.899 472 Q HN 0.475 nan 8.270 nan 0.000 0.423 473 Q N 0.258 120.057 119.800 -0.001 0.000 2.135 473 Q HA 0.059 4.399 4.340 -0.001 0.000 0.204 473 Q C 2.034 178.044 176.000 0.017 0.000 0.981 473 Q CA 1.951 57.757 55.803 0.005 0.000 0.856 473 Q CB -0.535 28.202 28.738 -0.001 0.000 0.902 473 Q HN 0.690 nan 8.270 nan 0.000 0.425 474 L N -0.271 120.961 121.223 0.015 0.000 2.551 474 L HA -0.057 4.283 4.340 -0.001 0.000 0.228 474 L C 2.114 179.049 176.870 0.109 0.000 1.153 474 L CA 0.369 55.241 54.840 0.054 0.000 0.851 474 L CB -0.232 41.823 42.059 -0.006 0.000 0.959 474 L HN 0.174 nan 8.230 nan 0.000 0.451 475 R N -0.031 120.514 120.500 0.075 0.000 2.070 475 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 475 R C 0.865 177.200 176.300 0.058 0.000 1.138 475 R CA 1.016 57.161 56.100 0.074 0.000 0.936 475 R CB -0.250 30.080 30.300 0.050 0.000 0.839 475 R HN -0.059 nan 8.270 nan 0.000 0.429 476 K N 1.333 121.758 120.400 0.042 0.000 2.499 476 K HA 0.242 4.562 4.320 -0.001 0.000 0.215 476 K C -2.627 173.990 176.600 0.028 0.000 1.041 476 K CA -1.504 54.801 56.287 0.031 0.000 1.031 476 K CB 1.548 34.061 32.500 0.021 0.000 1.479 476 K HN 0.114 nan 8.250 nan 0.000 0.518 477 P HA 0.281 nan 4.420 nan 0.000 0.247 477 P C -0.507 176.801 177.300 0.012 0.000 1.756 477 P CA -0.219 62.897 63.100 0.026 0.000 1.117 477 P CB 0.370 32.094 31.700 0.041 0.000 1.869 478 A N 2.045 124.869 122.820 0.007 0.000 2.462 478 A HA 0.048 4.368 4.320 -0.001 0.000 0.243 478 A C 1.612 179.192 177.584 -0.007 0.000 1.076 478 A CA -0.269 51.769 52.037 0.001 0.000 0.773 478 A CB 0.128 19.130 19.000 0.002 0.000 1.010 478 A HN 0.495 nan 8.150 nan 0.000 0.493 479 E N 0.924 121.118 120.200 -0.011 0.000 2.153 479 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 479 E C 1.592 178.177 176.600 -0.025 0.000 0.988 479 E CA 1.506 57.894 56.400 -0.020 0.000 0.811 479 E CB 0.041 29.731 29.700 -0.017 0.000 0.746 479 E HN 0.833 nan 8.360 nan 0.000 0.466 480 E N 0.451 120.642 120.200 -0.016 0.000 2.338 480 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 480 E C 1.628 178.219 176.600 -0.016 0.000 1.007 480 E CA 0.672 57.063 56.400 -0.014 0.000 0.849 480 E CB -0.164 29.532 29.700 -0.005 0.000 0.774 480 E HN 0.415 nan 8.360 nan 0.000 0.506 481 L N 1.082 122.297 121.223 -0.014 0.000 2.685 481 L HA 0.256 4.595 4.340 -0.001 0.000 0.233 481 L C 2.052 178.905 176.870 -0.028 0.000 1.173 481 L CA 0.128 54.962 54.840 -0.010 0.000 0.961 481 L CB 0.053 42.113 42.059 0.002 0.000 1.217 481 L HN 0.153 nan 8.230 nan 0.000 0.478 482 G N 0.560 109.326 108.800 -0.057 0.000 2.442 482 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 482 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 482 G C 1.769 176.575 174.900 -0.156 0.000 1.141 482 G CA 0.459 45.500 45.100 -0.099 0.000 0.763 482 G HN 0.329 nan 8.290 nan 0.000 0.554 483 R N 0.005 120.402 120.500 -0.172 0.000 2.090 483 R HA 0.042 4.382 4.340 -0.001 0.000 0.228 483 R C 2.812 179.130 176.300 0.030 0.000 1.110 483 R CA 1.082 57.045 56.100 -0.227 0.000 0.973 483 R CB -0.205 30.009 30.300 -0.144 0.000 0.869 483 R HN 0.352 nan 8.270 nan 0.000 0.440 484 E N 0.841 121.073 120.200 0.053 0.000 2.077 484 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 484 E C 2.003 178.669 176.600 0.110 0.000 0.989 484 E CA 1.141 57.609 56.400 0.113 0.000 0.800 484 E CB -0.383 29.359 29.700 0.069 0.000 0.746 484 E HN 0.400 nan 8.360 nan 0.000 0.452 485 I N 0.882 121.481 120.570 0.048 0.000 2.252 485 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 485 I C 2.651 178.803 176.117 0.058 0.000 1.102 485 I CA 1.497 62.817 61.300 0.033 0.000 1.385 485 I CB -0.461 37.538 38.000 -0.001 0.000 1.064 485 I HN 0.260 nan 8.210 nan 0.000 0.414 486 T N -0.996 113.589 114.554 0.052 0.000 2.746 486 T HA -0.249 4.101 4.350 -0.001 0.000 0.267 486 T C 1.891 176.772 174.700 0.302 0.000 1.039 486 T CA 1.390 63.552 62.100 0.103 0.000 1.142 486 T CB -0.463 68.391 68.868 -0.023 0.000 0.866 486 T HN 0.456 nan 8.240 nan 0.000 0.444 487 H N 0.480 119.702 119.070 0.254 0.000 2.321 487 H HA -0.111 4.445 4.556 -0.001 0.000 0.300 487 H C 2.592 178.091 175.328 0.284 0.000 1.087 487 H CA 1.751 57.986 56.048 0.311 0.000 1.319 487 H CB 0.082 30.007 29.762 0.272 0.000 1.379 487 H HN 0.249 nan 8.280 nan 0.000 0.501 488 Q N 0.759 120.613 119.800 0.089 0.000 2.096 488 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 488 Q C 2.462 178.502 176.000 0.066 0.000 0.982 488 Q CA 1.710 57.513 55.803 -0.000 0.000 0.850 488 Q CB -0.374 28.363 28.738 -0.001 0.000 0.901 488 Q HN 0.463 nan 8.270 nan 0.000 0.422 489 L N -0.446 120.853 121.223 0.126 0.000 2.046 489 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 489 L C 2.050 179.138 176.870 0.363 0.000 1.077 489 L CA 1.777 56.720 54.840 0.172 0.000 0.747 489 L CB -0.763 41.308 42.059 0.021 0.000 0.896 489 L HN 0.422 nan 8.230 nan 0.000 0.432 490 F N -0.352 119.740 119.950 0.237 0.000 2.095 490 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 490 F C 2.071 178.055 175.800 0.307 0.000 1.104 490 F CA 1.925 60.125 58.000 0.333 0.000 1.232 490 F CB -0.204 38.974 39.000 0.296 0.000 0.987 490 F HN 0.034 nan 8.300 nan 0.000 0.475 491 L N -0.104 121.276 121.223 0.261 0.000 2.083 491 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 491 L C 2.392 179.413 176.870 0.252 0.000 1.083 491 L CA 1.041 56.028 54.840 0.244 0.000 0.752 491 L CB -0.649 41.492 42.059 0.137 0.000 0.899 491 L HN 0.283 nan 8.230 nan 0.000 0.433 492 L N -0.863 120.464 121.223 0.174 0.000 2.109 492 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 492 L C 2.692 179.806 176.870 0.407 0.000 1.086 492 L CA 1.139 56.087 54.840 0.180 0.000 0.760 492 L CB -1.113 40.871 42.059 -0.125 0.000 0.910 492 L HN 0.283 nan 8.230 nan 0.000 0.437 493 G N -0.414 108.574 108.800 0.313 0.000 2.459 493 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 493 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 493 G C 1.626 176.479 174.900 -0.078 0.000 1.183 493 G CA 1.107 46.221 45.100 0.024 0.000 0.776 493 G HN 0.396 nan 8.290 nan 0.000 0.552 494 C N 0.763 119.916 119.300 -0.244 0.000 2.432 494 C HA 0.084 4.544 4.460 -0.001 0.000 0.277 494 C C 3.288 177.929 174.990 -0.582 0.000 1.249 494 C CA 0.760 59.517 59.018 -0.434 0.000 1.725 494 C CB -1.225 26.233 27.740 -0.470 0.000 2.028 494 C HN 0.516 nan 8.230 nan 0.000 0.477 495 G N 0.253 108.830 108.800 -0.372 0.000 2.442 495 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.219 495 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.219 495 G C 1.841 176.570 174.900 -0.285 0.000 1.141 495 G CA 1.097 46.044 45.100 -0.256 0.000 0.763 495 G HN 0.633 nan 8.290 nan 0.000 0.554 496 A N -0.097 122.666 122.820 -0.095 0.000 1.898 496 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 496 A C 2.410 179.869 177.584 -0.207 0.000 1.181 496 A CA 1.760 53.681 52.037 -0.193 0.000 0.620 496 A CB -0.298 18.795 19.000 0.155 0.000 0.819 496 A HN 0.298 nan 8.150 nan 0.000 0.442 497 Q N -0.807 118.902 119.800 -0.152 0.000 2.084 497 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 497 Q C 2.192 178.110 176.000 -0.137 0.000 0.978 497 Q CA 1.308 57.060 55.803 -0.085 0.000 0.844 497 Q CB -0.487 28.210 28.738 -0.068 0.000 0.898 497 Q HN 0.601 nan 8.270 nan 0.000 0.426 498 M N 0.088 119.505 119.600 -0.306 0.000 2.086 498 M HA -0.104 4.375 4.480 -0.001 0.000 0.261 498 M C 2.373 178.546 176.300 -0.212 0.000 1.067 498 M CA 1.194 56.319 55.300 -0.291 0.000 1.116 498 M CB -1.061 31.241 32.600 -0.496 0.000 1.348 498 M HN 0.164 nan 8.290 nan 0.000 0.407 499 L N -0.327 120.732 121.223 -0.273 0.000 2.083 499 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 499 L C 2.540 179.244 176.870 -0.276 0.000 1.083 499 L CA 1.213 55.899 54.840 -0.257 0.000 0.752 499 L CB -0.495 41.342 42.059 -0.370 0.000 0.899 499 L HN 0.319 nan 8.230 nan 0.000 0.433 500 K N -1.121 119.056 120.400 -0.372 0.000 2.103 500 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 500 K C 1.531 177.749 176.600 -0.636 0.000 1.052 500 K CA 1.396 57.318 56.287 -0.607 0.000 0.945 500 K CB 0.084 32.007 32.500 -0.963 0.000 0.722 500 K HN 0.294 nan 8.250 nan 0.000 0.443 501 Y N -0.656 119.573 120.300 -0.118 0.000 2.467 501 Y HA 0.315 4.865 4.550 -0.001 0.000 0.259 501 Y C 0.703 176.553 175.900 -0.083 0.000 1.084 501 Y CA -0.699 57.343 58.100 -0.096 0.000 1.275 501 Y CB 0.669 39.069 38.460 -0.100 0.000 1.208 501 Y HN -0.101 nan 8.280 nan 0.000 0.511 502 A N 0.998 123.833 122.820 0.026 0.000 2.313 502 A HA 0.415 4.735 4.320 -0.001 0.000 0.261 502 A C 0.585 178.170 177.584 0.002 0.000 1.090 502 A CA -0.178 51.863 52.037 0.007 0.000 0.807 502 A CB -0.043 18.946 19.000 -0.018 0.000 1.055 502 A HN 0.293 nan 8.150 nan 0.000 0.492 503 S N 1.140 116.848 115.700 0.013 0.000 2.568 503 S HA 0.185 4.655 4.470 -0.001 0.000 0.282 503 S C -1.944 172.664 174.600 0.013 0.000 1.338 503 S CA -0.383 57.824 58.200 0.012 0.000 1.045 503 S CB 0.270 63.481 63.200 0.019 0.000 0.873 503 S HN 0.446 nan 8.310 nan 0.000 0.516 504 P HA -0.027 nan 4.420 nan 0.000 0.216 504 P C -1.541 175.780 177.300 0.036 0.000 1.153 504 P CA 1.269 64.376 63.100 0.012 0.000 0.858 504 P CB -1.077 30.627 31.700 0.006 0.000 0.789 505 P HA -0.116 nan 4.420 nan 0.000 0.218 505 P C 1.652 178.996 177.300 0.072 0.000 1.149 505 P CA 1.213 64.345 63.100 0.054 0.000 0.817 505 P CB -0.391 31.336 31.700 0.045 0.000 0.785 506 M N -0.085 119.557 119.600 0.069 0.000 2.099 506 M HA -0.025 4.454 4.480 -0.001 0.000 0.262 506 M C 1.939 178.320 176.300 0.134 0.000 1.067 506 M CA 1.878 57.234 55.300 0.094 0.000 1.124 506 M CB -1.164 31.479 32.600 0.072 0.000 1.353 506 M HN -0.156 nan 8.290 nan 0.000 0.410 507 A N -0.471 122.406 122.820 0.095 0.000 1.933 507 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 507 A C 2.046 179.742 177.584 0.187 0.000 1.175 507 A CA 1.903 54.007 52.037 0.112 0.000 0.628 507 A CB -0.809 18.200 19.000 0.016 0.000 0.814 507 A HN 0.710 nan 8.150 nan 0.000 0.444 508 Q N -0.554 119.331 119.800 0.142 0.000 2.050 508 Q HA -0.099 4.241 4.340 -0.001 0.000 0.202 508 Q C 2.470 178.572 176.000 0.170 0.000 0.980 508 Q CA 1.568 57.466 55.803 0.157 0.000 0.840 508 Q CB -0.429 28.378 28.738 0.115 0.000 0.898 508 Q HN 0.676 nan 8.270 nan 0.000 0.424 509 A N 0.197 123.103 122.820 0.144 0.000 1.883 509 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 509 A C 1.762 179.416 177.584 0.116 0.000 1.186 509 A CA 1.445 53.547 52.037 0.109 0.000 0.624 509 A CB -1.190 17.870 19.000 0.100 0.000 0.822 509 A HN 0.648 nan 8.150 nan 0.000 0.444 510 W N 0.127 121.447 121.300 0.033 0.000 2.333 510 W HA -0.270 4.389 4.660 -0.001 0.000 0.316 510 W C 2.488 179.036 176.519 0.047 0.000 1.215 510 W CA 2.237 59.604 57.345 0.037 0.000 1.278 510 W CB -0.598 28.886 29.460 0.040 0.000 1.154 510 W HN 0.383 nan 8.180 nan 0.000 0.486 511 C N -0.511 119.028 119.300 0.399 0.000 2.429 511 C HA -0.216 4.243 4.460 -0.001 0.000 0.277 511 C C 2.644 177.634 174.990 -0.000 0.000 1.262 511 C CA 1.617 60.823 59.018 0.314 0.000 1.733 511 C CB -1.421 26.580 27.740 0.434 0.000 2.010 511 C HN 0.528 nan 8.230 nan 0.000 0.483 512 Q N 0.295 120.064 119.800 -0.053 0.000 2.079 512 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 512 Q C 2.170 177.963 176.000 -0.345 0.000 0.974 512 Q CA 1.587 57.181 55.803 -0.347 0.000 0.840 512 Q CB 0.015 28.637 28.738 -0.193 0.000 0.898 512 Q HN 0.519 nan 8.270 nan 0.000 0.430 513 V N 0.478 120.234 119.914 -0.263 0.000 2.358 513 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 513 V C 2.189 178.078 176.094 -0.342 0.000 1.047 513 V CA 1.352 63.490 62.300 -0.269 0.000 1.035 513 V CB -0.289 31.387 31.823 -0.245 0.000 0.658 513 V HN 0.468 nan 8.190 nan 0.000 0.452 514 M N -1.227 118.058 119.600 -0.525 0.000 2.435 514 M HA 0.199 4.679 4.480 -0.001 0.000 0.265 514 M C 1.691 177.787 176.300 -0.338 0.000 1.104 514 M CA 1.419 56.376 55.300 -0.573 0.000 1.140 514 M CB -0.347 31.495 32.600 -1.262 0.000 1.372 514 M HN 0.260 nan 8.290 nan 0.000 0.456 515 L N -1.503 119.554 121.223 -0.277 0.000 2.920 515 L HA 0.217 4.557 4.340 -0.001 0.000 0.257 515 L C 0.239 177.016 176.870 -0.154 0.000 1.150 515 L CA -0.239 54.520 54.840 -0.134 0.000 0.959 515 L CB 0.379 42.447 42.059 0.016 0.000 1.321 515 L HN 0.009 nan 8.230 nan 0.000 0.555 516 D N 0.802 120.984 120.400 -0.362 0.000 2.374 516 D HA -0.001 4.638 4.640 -0.001 0.000 0.240 516 D C 1.247 177.430 176.300 -0.195 0.000 1.229 516 D CA 0.313 54.029 54.000 -0.472 0.000 0.895 516 D CB 1.474 41.758 40.800 -0.861 0.000 1.046 516 D HN -0.117 nan 8.370 nan 0.000 0.498 517 T N 2.988 117.499 114.554 -0.070 0.000 2.803 517 T HA -0.227 4.123 4.350 -0.001 0.000 0.269 517 T C 0.945 175.628 174.700 -0.028 0.000 1.052 517 T CA 0.951 63.033 62.100 -0.030 0.000 1.136 517 T CB -0.006 68.867 68.868 0.008 0.000 0.864 517 T HN 0.217 nan 8.240 nan 0.000 0.467 518 R N 1.218 121.702 120.500 -0.027 0.000 2.234 518 R HA 0.497 4.836 4.340 -0.001 0.000 0.324 518 R C 0.929 177.197 176.300 -0.054 0.000 1.054 518 R CA -0.097 55.988 56.100 -0.025 0.000 0.912 518 R CB 0.221 30.518 30.300 -0.005 0.000 1.030 518 R HN 0.217 nan 8.270 nan 0.000 0.455 519 G N 2.458 111.232 108.800 -0.043 0.000 2.597 519 G HA2 0.260 4.220 3.960 -0.001 0.000 0.194 519 G HA3 0.260 4.220 3.960 -0.001 0.000 0.194 519 G C 0.406 175.287 174.900 -0.033 0.000 1.625 519 G CA -0.230 44.843 45.100 -0.046 0.000 1.050 519 G HN 1.206 nan 8.290 nan 0.000 0.531 520 G N -2.414 106.379 108.800 -0.012 0.000 2.249 520 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.273 520 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.273 520 G C 0.073 174.973 174.900 0.000 0.000 1.036 520 G CA 0.281 45.377 45.100 -0.007 0.000 0.824 520 G HN 1.144 nan 8.290 nan 0.000 0.504 521 V N 0.607 120.527 119.914 0.010 0.000 2.385 521 V HA 0.541 4.661 4.120 -0.001 0.000 0.269 521 V C 0.927 177.075 176.094 0.089 0.000 1.043 521 V CA -0.167 62.139 62.300 0.010 0.000 0.906 521 V CB 1.169 32.961 31.823 -0.052 0.000 0.995 521 V HN 0.567 nan 8.190 nan 0.000 0.467 522 R N 6.151 126.696 120.500 0.075 0.000 2.368 522 R HA 0.598 4.938 4.340 -0.001 0.000 0.302 522 R C -0.631 175.725 176.300 0.094 0.000 1.002 522 R CA -0.486 55.684 56.100 0.116 0.000 0.929 522 R CB 0.855 31.188 30.300 0.054 0.000 1.073 522 R HN 0.734 nan 8.270 nan 0.000 0.464 523 L N 3.848 125.139 121.223 0.114 0.000 2.350 523 L HA 0.395 4.735 4.340 -0.001 0.000 0.275 523 L C 1.002 177.912 176.870 0.068 0.000 1.099 523 L CA -0.456 54.425 54.840 0.068 0.000 0.808 523 L CB 1.723 43.808 42.059 0.043 0.000 1.149 523 L HN 0.978 nan 8.230 nan 0.000 0.442 524 S N 0.722 116.455 115.700 0.055 0.000 2.573 524 S HA -0.046 4.423 4.470 -0.001 0.000 0.277 524 S C 0.958 175.588 174.600 0.050 0.000 1.346 524 S CA -0.298 57.932 58.200 0.049 0.000 1.034 524 S CB 1.221 64.448 63.200 0.045 0.000 0.879 524 S HN 0.733 nan 8.310 nan 0.000 0.528 525 E N 1.564 121.790 120.200 0.044 0.000 2.070 525 E HA -0.272 4.078 4.350 -0.001 0.000 0.197 525 E C 2.274 178.899 176.600 0.042 0.000 1.004 525 E CA 2.260 58.685 56.400 0.042 0.000 0.805 525 E CB -0.328 29.392 29.700 0.033 0.000 0.744 525 E HN 0.828 nan 8.360 nan 0.000 0.451 526 Q N 0.290 120.114 119.800 0.039 0.000 2.124 526 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 526 Q C 2.213 178.240 176.000 0.044 0.000 0.977 526 Q CA 1.183 57.009 55.803 0.038 0.000 0.850 526 Q CB -0.501 28.257 28.738 0.034 0.000 0.901 526 Q HN 0.369 nan 8.270 nan 0.000 0.429 527 I N 1.586 122.185 120.570 0.048 0.000 2.252 527 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 527 I C 2.492 178.644 176.117 0.059 0.000 1.102 527 I CA 1.350 62.682 61.300 0.054 0.000 1.385 527 I CB -0.516 37.518 38.000 0.057 0.000 1.064 527 I HN 0.336 nan 8.210 nan 0.000 0.414 528 Q N 0.128 119.962 119.800 0.058 0.000 2.050 528 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 528 Q C 1.908 177.950 176.000 0.069 0.000 0.980 528 Q CA 1.733 57.575 55.803 0.065 0.000 0.840 528 Q CB -0.277 28.500 28.738 0.064 0.000 0.898 528 Q HN 0.635 nan 8.270 nan 0.000 0.424 529 N N 0.722 119.456 118.700 0.058 0.000 2.069 529 N HA -0.196 4.544 4.740 -0.001 0.000 0.191 529 N C 1.512 177.055 175.510 0.055 0.000 1.031 529 N CA 1.197 54.279 53.050 0.054 0.000 0.852 529 N CB -0.115 38.398 38.487 0.043 0.000 1.018 529 N HN 0.189 nan 8.380 nan 0.000 0.423 530 D N 1.136 121.568 120.400 0.053 0.000 2.097 530 D HA -0.071 4.569 4.640 -0.001 0.000 0.197 530 D C 2.009 178.346 176.300 0.063 0.000 0.984 530 D CA 0.808 54.837 54.000 0.049 0.000 0.826 530 D CB -0.143 40.684 40.800 0.045 0.000 0.973 530 D HN 0.150 nan 8.370 nan 0.000 0.460 531 L N -0.153 121.117 121.223 0.078 0.000 2.012 531 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 531 L C 2.651 179.604 176.870 0.137 0.000 1.073 531 L CA 0.953 55.856 54.840 0.104 0.000 0.748 531 L CB -0.357 41.767 42.059 0.109 0.000 0.891 531 L HN 0.178 nan 8.230 nan 0.000 0.431 532 L N -1.110 120.191 121.223 0.130 0.000 2.109 532 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 532 L C 2.440 179.361 176.870 0.085 0.000 1.086 532 L CA 0.765 55.687 54.840 0.137 0.000 0.760 532 L CB -0.343 41.782 42.059 0.109 0.000 0.910 532 L HN 0.268 nan 8.230 nan 0.000 0.437 533 L N -0.455 120.804 121.223 0.060 0.000 2.046 533 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 533 L C 2.787 179.675 176.870 0.030 0.000 1.077 533 L CA 1.294 56.154 54.840 0.033 0.000 0.747 533 L CB -0.416 41.658 42.059 0.026 0.000 0.896 533 L HN 0.206 nan 8.230 nan 0.000 0.432 534 R N -0.193 120.333 120.500 0.044 0.000 2.152 534 R HA -0.104 4.235 4.340 -0.001 0.000 0.232 534 R C 2.121 178.445 176.300 0.040 0.000 1.117 534 R CA 1.185 57.303 56.100 0.030 0.000 0.981 534 R CB -0.298 30.024 30.300 0.036 0.000 0.870 534 R HN 0.323 nan 8.270 nan 0.000 0.451 535 A N 0.122 122.998 122.820 0.094 0.000 2.208 535 A HA -0.032 4.288 4.320 -0.001 0.000 0.209 535 A C 1.629 179.253 177.584 0.067 0.000 1.161 535 A CA 1.159 53.283 52.037 0.144 0.000 0.782 535 A CB -0.068 19.143 19.000 0.352 0.000 0.816 535 A HN 0.403 nan 8.150 nan 0.000 0.477 536 T N -6.266 108.299 114.554 0.019 0.000 3.040 536 T HA 0.518 4.868 4.350 -0.001 0.000 0.266 536 T C 1.052 175.730 174.700 -0.036 0.000 1.005 536 T CA 1.088 63.177 62.100 -0.018 0.000 0.906 536 T CB 0.756 69.604 68.868 -0.034 0.000 1.082 536 T HN 1.141 nan 8.240 nan 0.000 0.531 537 G N 0.643 109.420 108.800 -0.039 0.000 2.725 537 G HA2 0.277 4.237 3.960 -0.001 0.000 0.100 537 G HA3 0.277 4.237 3.960 -0.001 0.000 0.100 537 G C 1.170 176.036 174.900 -0.057 0.000 2.315 537 G CA 0.572 45.635 45.100 -0.061 0.000 1.153 537 G HN 1.077 nan 8.290 nan 0.000 0.325 538 G N 0.054 108.830 108.800 -0.039 0.000 3.776 538 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.306 538 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.306 538 G C 1.751 176.629 174.900 -0.037 0.000 2.000 538 G CA 2.947 48.029 45.100 -0.029 0.000 2.201 538 G HN 1.584 nan 8.290 nan 0.000 0.893 539 V N 1.370 121.255 119.914 -0.049 0.000 2.591 539 V HA -0.002 4.117 4.120 -0.001 0.000 0.249 539 V C 2.233 178.284 176.094 -0.071 0.000 1.053 539 V CA 1.319 63.587 62.300 -0.055 0.000 1.068 539 V CB -0.337 31.451 31.823 -0.058 0.000 0.689 539 V HN 0.738 nan 8.190 nan 0.000 0.462 540 c N 0.000 118.540 118.600 -0.100 0.000 2.653 540 c HA 0.000 4.570 4.570 -0.001 0.000 0.325 540 c CA 0.000 56.255 56.329 -0.123 0.000 1.963 540 c CB 0.000 42.386 42.510 -0.206 0.000 2.134 540 c HN 0.000 nan 8.230 nan 0.000 0.568