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 1bgx_1_T DATA FIRST_RESID 1 DATA SEQUENCE MRGMLPLFEP KGRVLLVDGH HLAYRTFHAL KGLTTSRGEP VQAVYGFAKS DATA SEQUENCE LLKALKEDGD AVIVVFDAKA PSFRHEAYGG YKAGRAPTPE DFPRQLALIK DATA SEQUENCE ELVDLLGLAR LEVPGYEADD VLASLAKKAE KEGYEVRILT ADKDLYQLLS DATA SEQUENCE DRIHVLHPEG YLITPAWLWE KYGLRPDQWA DYRALTGDES DNLPGVKGIG DATA SEQUENCE EKTARKLLEE WGSLEALLKN LDRLKPAIRE KILAHMDDLK LSWDLAKVRT DATA SEQUENCE DLPLEVDFAK RREPDRERLR AFLERLEFGS LLHEFGLLES PKALEEAPWP DATA SEQUENCE PPEGAFVGFV LSRKEPMWAD LLALAAARGG RVHRAPEPYK ALRDLKEARG DATA SEQUENCE LLAKDLSVLA LREGLGLPPG DDPMLLAYLL DPSNTTPEGV ARRYGGEWTE DATA SEQUENCE EAGERAALSE RLFANLWGRL EGEERLLWLY REVERPLSAV LAHMEATGVR DATA SEQUENCE LDVAYLRALS LEVAEEIARL EAEVFRLAGH PFNLNSRDQL ERVLFDELGL DATA SEQUENCE PAIGKTEKTG KRSTSAAVLE ALREAHPIVE KILQYRELTK LKSTYIDPLP DATA SEQUENCE DLIHPRTGRL HTRFNQTATA TGRLSSSDPN LQNIPVRTPL GQRIRRAFIA DATA SEQUENCE EEGWLLVALD YSQIELRVLA HLSGDENLIR VFQEGRDIHT ETASWMFGVP DATA SEQUENCE REAVDPLMRR AAKTINFGVL YGMSAHRLSQ ELAIPYEEAQ AFIERYFQSF DATA SEQUENCE PKVRAWIEKT LEEGRRRGYV ETLFGRRRYV PDLEARVKSV REAAERMAFN DATA SEQUENCE MPVQGTAADL MKLAMVKLFP RLEEMGARML LQVHDELVLE AXXXXAEAVA DATA SEQUENCE RLAKEVMEGV YPLAVPLEVE VGIGEDWLSA KE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.125 176.300 -0.292 0.000 1.140 1 M CA 0.000 55.008 55.300 -0.486 0.000 0.988 1 M CB 0.000 31.968 32.600 -1.054 0.000 1.302 2 R N 1.296 121.691 120.500 -0.175 0.000 2.731 2 R HA 0.035 4.375 4.340 -0.001 0.000 0.366 2 R C -0.143 176.240 176.300 0.138 0.000 0.928 2 R CA 1.517 57.612 56.100 -0.007 0.000 1.075 2 R CB -1.689 28.503 30.300 -0.179 0.000 0.874 2 R HN 2.227 nan 8.270 nan 0.000 0.399 3 G N 0.572 109.610 108.800 0.397 0.000 2.525 3 G HA2 0.283 4.243 3.960 -0.001 0.000 0.685 3 G HA3 0.283 4.243 3.960 -0.001 0.000 0.685 3 G C 0.193 175.093 174.900 0.001 0.000 1.285 3 G CA 0.218 45.466 45.100 0.246 0.000 0.849 3 G HN 1.219 nan 8.290 nan 0.000 0.653 4 M N -1.144 118.403 119.600 -0.087 0.000 1.630 4 M HA 0.385 4.864 4.480 -0.001 0.000 0.299 4 M C -0.298 175.953 176.300 -0.082 0.000 0.865 4 M CA -0.015 55.219 55.300 -0.110 0.000 1.061 4 M CB 0.889 33.427 32.600 -0.104 0.000 2.096 4 M HN 0.425 nan 8.290 nan 0.000 0.779 5 L N 3.162 124.315 121.223 -0.116 0.000 2.422 5 L HA 0.669 5.009 4.340 -0.001 0.000 0.264 5 L C -2.612 174.174 176.870 -0.140 0.000 0.984 5 L CA -1.695 53.082 54.840 -0.105 0.000 0.819 5 L CB 2.627 44.614 42.059 -0.119 0.000 1.330 5 L HN -0.188 nan 8.230 nan 0.000 0.410 6 P HA 0.299 nan 4.420 nan 0.000 0.270 6 P C -0.694 176.486 177.300 -0.199 0.000 1.227 6 P CA -0.131 62.921 63.100 -0.080 0.000 0.788 6 P CB 1.065 32.776 31.700 0.019 0.000 0.926 7 L N -0.723 120.330 121.223 -0.282 0.000 3.146 7 L HA 0.292 4.632 4.340 -0.001 0.000 0.284 7 L C -1.506 175.157 176.870 -0.346 0.000 0.898 7 L CA 0.037 54.596 54.840 -0.469 0.000 1.074 7 L CB 0.314 42.195 42.059 -0.297 0.000 1.657 7 L HN 0.648 nan 8.230 nan 0.000 0.377 8 F N -0.602 119.333 119.950 -0.025 0.000 2.940 8 F HA 0.621 5.147 4.527 -0.001 0.000 0.334 8 F C -0.915 174.871 175.800 -0.024 0.000 1.129 8 F CA -1.372 56.623 58.000 -0.009 0.000 0.893 8 F CB 0.522 39.514 39.000 -0.013 0.000 1.363 8 F HN 0.474 nan 8.300 nan 0.000 0.452 9 E N 1.050 121.410 120.200 0.267 0.000 7.507 9 E HA 0.082 4.432 4.350 -0.001 0.000 0.203 9 E C -2.834 173.807 176.600 0.069 0.000 0.885 9 E CA -0.164 56.275 56.400 0.065 0.000 1.679 9 E CB -0.418 29.310 29.700 0.047 0.000 0.894 9 E HN 0.509 nan 8.360 nan 0.000 0.263 10 P HA 0.432 nan 4.420 nan 0.000 0.300 10 P C -0.497 176.843 177.300 0.066 0.000 1.294 10 P CA 0.023 63.160 63.100 0.062 0.000 0.757 10 P CB 0.443 32.192 31.700 0.081 0.000 1.377 11 K N -3.114 117.323 120.400 0.062 0.000 4.163 11 K HA 0.251 4.571 4.320 -0.001 0.000 0.540 11 K C -0.731 175.792 176.600 -0.129 0.000 1.211 11 K CA 0.393 56.694 56.287 0.023 0.000 0.976 11 K CB -1.089 31.422 32.500 0.019 0.000 1.153 11 K HN 0.626 nan 8.250 nan 0.000 0.466 12 G N 3.359 111.958 108.800 -0.335 0.000 2.305 12 G HA2 0.355 4.315 3.960 -0.001 0.000 0.243 12 G HA3 0.355 4.315 3.960 -0.001 0.000 0.243 12 G C 0.201 175.012 174.900 -0.148 0.000 1.288 12 G CA 0.721 45.606 45.100 -0.358 0.000 0.901 12 G HN 0.725 nan 8.290 nan 0.000 0.516 13 R N -0.492 119.968 120.500 -0.066 0.000 3.994 13 R HA -0.188 4.152 4.340 -0.001 0.000 0.403 13 R C 0.315 176.601 176.300 -0.023 0.000 1.126 13 R CA 1.230 57.316 56.100 -0.023 0.000 1.143 13 R CB -2.183 28.111 30.300 -0.010 0.000 1.695 13 R HN 0.541 nan 8.270 nan 0.000 0.555 14 V N 0.224 120.120 119.914 -0.030 0.000 3.204 14 V HA 0.497 4.617 4.120 -0.001 0.000 0.316 14 V C 0.843 176.938 176.094 0.002 0.000 1.160 14 V CA -1.134 61.159 62.300 -0.012 0.000 1.044 14 V CB 1.145 32.962 31.823 -0.011 0.000 1.136 14 V HN -0.081 nan 8.190 nan 0.000 0.455 15 L N 1.446 122.679 121.223 0.017 0.000 2.485 15 L HA 0.241 4.580 4.340 -0.001 0.000 0.275 15 L C 0.037 176.937 176.870 0.050 0.000 1.207 15 L CA 0.698 55.562 54.840 0.041 0.000 0.855 15 L CB -0.420 41.671 42.059 0.053 0.000 1.114 15 L HN 0.515 nan 8.230 nan 0.000 0.485 16 L N 3.906 125.164 121.223 0.058 0.000 2.679 16 L HA 0.378 4.718 4.340 -0.001 0.000 0.238 16 L C -0.543 176.382 176.870 0.092 0.000 1.330 16 L CA -0.392 54.484 54.840 0.060 0.000 0.935 16 L CB 0.391 42.469 42.059 0.031 0.000 1.243 16 L HN 0.414 nan 8.230 nan 0.000 0.484 17 V N -0.525 119.472 119.914 0.138 0.000 3.214 17 V HA 0.356 4.476 4.120 -0.001 0.000 0.306 17 V C -0.209 176.011 176.094 0.211 0.000 1.078 17 V CA -0.609 61.811 62.300 0.200 0.000 1.077 17 V CB 1.653 33.594 31.823 0.196 0.000 1.121 17 V HN 0.473 nan 8.190 nan 0.000 0.468 18 D N -0.251 120.298 120.400 0.248 0.000 2.481 18 D HA 0.616 5.255 4.640 -0.001 0.000 0.244 18 D C 0.221 176.753 176.300 0.387 0.000 1.057 18 D CA -0.225 53.933 54.000 0.264 0.000 0.848 18 D CB 1.934 42.863 40.800 0.215 0.000 1.388 18 D HN 0.764 nan 8.370 nan 0.000 0.475 19 G N 1.325 110.408 108.800 0.471 0.000 4.433 19 G HA2 0.066 4.025 3.960 -0.001 0.000 0.304 19 G HA3 0.066 4.025 3.960 -0.001 0.000 0.304 19 G C 0.158 175.413 174.900 0.592 0.000 1.254 19 G CA -0.145 45.363 45.100 0.679 0.000 0.999 19 G HN 0.498 nan 8.290 nan 0.000 0.576 20 H N 0.012 119.306 119.070 0.374 0.000 2.332 20 H HA 0.153 4.709 4.556 -0.001 0.000 0.316 20 H C 1.564 177.113 175.328 0.368 0.000 1.069 20 H CA 0.897 57.143 56.048 0.330 0.000 1.484 20 H CB 0.180 30.075 29.762 0.222 0.000 1.496 20 H HN 0.331 nan 8.280 nan 0.000 0.623 21 H N 0.556 119.746 119.070 0.201 0.000 2.548 21 H HA 0.074 4.629 4.556 -0.001 0.000 0.268 21 H C 1.843 177.311 175.328 0.233 0.000 0.975 21 H CA 0.447 56.572 56.048 0.129 0.000 1.195 21 H CB 0.785 30.520 29.762 -0.045 0.000 1.397 21 H HN 0.246 nan 8.280 nan 0.000 0.572 22 L N 0.178 121.615 121.223 0.357 0.000 2.552 22 L HA 0.004 4.344 4.340 -0.001 0.000 0.227 22 L C 2.358 179.410 176.870 0.303 0.000 1.146 22 L CA 0.328 55.328 54.840 0.266 0.000 0.858 22 L CB -0.021 42.151 42.059 0.189 0.000 0.969 22 L HN 0.212 nan 8.230 nan 0.000 0.451 23 A N -1.510 121.550 122.820 0.399 0.000 2.063 23 A HA -0.109 4.211 4.320 -0.001 0.000 0.211 23 A C 1.913 179.682 177.584 0.309 0.000 1.177 23 A CA 0.234 52.532 52.037 0.435 0.000 0.759 23 A CB -0.292 18.985 19.000 0.461 0.000 0.857 23 A HN 0.348 nan 8.150 nan 0.000 0.468 24 Y N 0.202 120.568 120.300 0.110 0.000 2.475 24 Y HA 0.082 4.632 4.550 -0.001 0.000 0.289 24 Y C 2.410 178.319 175.900 0.016 0.000 1.121 24 Y CA 1.004 59.111 58.100 0.011 0.000 1.257 24 Y CB -0.076 38.391 38.460 0.012 0.000 1.026 24 Y HN 0.202 nan 8.280 nan 0.000 0.555 25 R N -0.822 119.772 120.500 0.158 0.000 2.057 25 R HA -0.090 4.250 4.340 -0.001 0.000 0.229 25 R C 1.785 178.124 176.300 0.064 0.000 1.136 25 R CA 1.889 58.035 56.100 0.076 0.000 0.952 25 R CB -0.469 29.888 30.300 0.096 0.000 0.848 25 R HN 0.315 nan 8.270 nan 0.000 0.430 26 T N -0.874 113.741 114.554 0.102 0.000 3.163 26 T HA -0.053 4.297 4.350 -0.001 0.000 0.260 26 T C 1.127 175.883 174.700 0.093 0.000 1.156 26 T CA 0.391 62.551 62.100 0.099 0.000 1.072 26 T CB -0.124 68.829 68.868 0.141 0.000 0.937 26 T HN 0.096 nan 8.240 nan 0.000 0.528 27 F N 1.466 121.316 119.950 -0.166 0.000 2.582 27 F HA 0.252 4.779 4.527 -0.001 0.000 0.290 27 F C 1.534 177.175 175.800 -0.266 0.000 1.115 27 F CA -0.037 57.754 58.000 -0.349 0.000 1.445 27 F CB 0.112 38.651 39.000 -0.769 0.000 1.126 27 F HN 0.153 nan 8.300 nan 0.000 0.574 28 H N -0.234 118.643 119.070 -0.322 0.000 2.539 28 H HA 0.578 5.133 4.556 -0.001 0.000 0.269 28 H C 0.253 175.441 175.328 -0.233 0.000 0.980 28 H CA 0.343 56.188 56.048 -0.338 0.000 1.152 28 H CB -0.108 29.489 29.762 -0.275 0.000 1.407 28 H HN 0.145 nan 8.280 nan 0.000 0.564 29 A N -0.259 122.513 122.820 -0.079 0.000 2.532 29 A HA 0.528 4.847 4.320 -0.001 0.000 0.290 29 A C -0.230 177.312 177.584 -0.070 0.000 1.143 29 A CA -0.713 51.283 52.037 -0.068 0.000 0.728 29 A CB 0.842 19.830 19.000 -0.021 0.000 1.317 29 A HN 0.263 nan 8.150 nan 0.000 0.414 30 L N -0.673 120.512 121.223 -0.063 0.000 3.976 30 L HA -0.283 4.057 4.340 -0.001 0.000 0.418 30 L C 1.382 178.203 176.870 -0.082 0.000 1.177 30 L CA 0.984 55.792 54.840 -0.053 0.000 0.968 30 L CB -1.886 40.181 42.059 0.013 0.000 1.933 30 L HN 0.942 nan 8.230 nan 0.000 0.976 31 K N 0.813 121.134 120.400 -0.132 0.000 2.360 31 K HA -0.081 4.238 4.320 -0.001 0.000 0.201 31 K C 1.845 178.373 176.600 -0.121 0.000 1.046 31 K CA 1.243 57.436 56.287 -0.156 0.000 0.940 31 K CB -0.159 32.212 32.500 -0.215 0.000 0.748 31 K HN 0.611 nan 8.250 nan 0.000 0.465 32 G N 1.003 109.722 108.800 -0.135 0.000 3.210 32 G HA2 0.068 4.027 3.960 -0.001 0.000 0.220 32 G HA3 0.068 4.027 3.960 -0.001 0.000 0.220 32 G C 0.041 174.873 174.900 -0.113 0.000 1.200 32 G CA -0.181 44.830 45.100 -0.149 0.000 0.834 32 G HN 0.060 nan 8.290 nan 0.000 0.524 33 L N 2.268 123.454 121.223 -0.063 0.000 2.277 33 L HA 0.469 4.808 4.340 -0.001 0.000 0.284 33 L C -0.063 176.832 176.870 0.041 0.000 1.028 33 L CA -0.492 54.340 54.840 -0.014 0.000 0.835 33 L CB 1.393 43.428 42.059 -0.040 0.000 1.215 33 L HN 0.102 nan 8.230 nan 0.000 0.425 34 T N -1.975 112.606 114.554 0.044 0.000 2.864 34 T HA 0.582 4.931 4.350 -0.001 0.000 0.299 34 T C 0.022 174.740 174.700 0.029 0.000 1.166 34 T CA -0.818 61.311 62.100 0.049 0.000 1.007 34 T CB 1.888 70.774 68.868 0.031 0.000 1.219 34 T HN 0.431 nan 8.240 nan 0.000 0.506 35 T N -1.044 113.519 114.554 0.016 0.000 2.824 35 T HA 0.380 4.729 4.350 -0.001 0.000 0.277 35 T C 1.647 176.341 174.700 -0.010 0.000 0.975 35 T CA -0.067 62.019 62.100 -0.024 0.000 0.966 35 T CB 0.629 69.481 68.868 -0.026 0.000 1.054 35 T HN 0.903 nan 8.240 nan 0.000 0.533 36 S N -0.220 115.467 115.700 -0.021 0.000 2.481 36 S HA -0.029 4.440 4.470 -0.001 0.000 0.231 36 S C 1.853 176.453 174.600 0.001 0.000 0.996 36 S CA 0.007 58.204 58.200 -0.005 0.000 0.942 36 S CB -0.404 62.790 63.200 -0.010 0.000 0.768 36 S HN 0.723 nan 8.310 nan 0.000 0.520 37 R N 0.995 121.494 120.500 -0.002 0.000 2.064 37 R HA 0.360 4.700 4.340 -0.001 0.000 0.221 37 R C 1.462 177.767 176.300 0.008 0.000 1.136 37 R CA 0.812 56.914 56.100 0.003 0.000 0.980 37 R CB -0.152 30.149 30.300 0.000 0.000 0.876 37 R HN 0.527 nan 8.270 nan 0.000 0.437 38 G N 0.735 109.543 108.800 0.012 0.000 2.598 38 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.221 38 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.221 38 G C -0.785 174.130 174.900 0.026 0.000 1.019 38 G CA -0.655 44.455 45.100 0.017 0.000 0.912 38 G HN 0.193 nan 8.290 nan 0.000 0.574 39 E N 1.095 121.313 120.200 0.031 0.000 2.156 39 E HA 0.558 4.908 4.350 -0.001 0.000 0.279 39 E C -2.579 174.063 176.600 0.069 0.000 0.965 39 E CA -2.208 54.220 56.400 0.047 0.000 0.789 39 E CB 2.019 31.745 29.700 0.044 0.000 1.098 39 E HN 0.048 nan 8.360 nan 0.000 0.397 40 P HA 0.012 nan 4.420 nan 0.000 0.276 40 P C -0.752 176.643 177.300 0.158 0.000 1.235 40 P CA -0.064 63.109 63.100 0.122 0.000 0.772 40 P CB 0.996 32.787 31.700 0.152 0.000 0.871 41 V N 3.817 123.841 119.914 0.182 0.000 3.098 41 V HA 0.020 4.140 4.120 -0.001 0.000 0.416 41 V C 1.113 177.359 176.094 0.255 0.000 1.449 41 V CA -0.055 62.394 62.300 0.249 0.000 1.486 41 V CB 0.195 32.201 31.823 0.306 0.000 1.277 41 V HN 0.527 nan 8.190 nan 0.000 0.623 42 Q N 0.235 120.162 119.800 0.211 0.000 2.424 42 Q HA 0.240 4.580 4.340 -0.001 0.000 0.204 42 Q C 1.188 177.322 176.000 0.224 0.000 0.933 42 Q CA 1.269 57.174 55.803 0.169 0.000 0.929 42 Q CB 0.572 29.364 28.738 0.091 0.000 1.037 42 Q HN 0.658 nan 8.270 nan 0.000 0.511 43 A N 0.276 123.271 122.820 0.291 0.000 2.390 43 A HA 0.302 4.622 4.320 -0.001 0.000 0.225 43 A C 1.777 179.536 177.584 0.293 0.000 1.232 43 A CA 0.097 52.323 52.037 0.315 0.000 0.964 43 A CB 0.484 19.750 19.000 0.443 0.000 1.064 43 A HN 0.103 nan 8.150 nan 0.000 0.525 44 V N -0.856 119.224 119.914 0.276 0.000 3.129 44 V HA -0.131 3.988 4.120 -0.001 0.000 0.259 44 V C 2.044 178.278 176.094 0.232 0.000 1.116 44 V CA 1.496 63.936 62.300 0.233 0.000 1.127 44 V CB -1.086 30.865 31.823 0.215 0.000 0.742 44 V HN 0.713 nan 8.190 nan 0.000 0.474 45 Y N 2.347 122.685 120.300 0.064 0.000 2.439 45 Y HA 0.133 4.682 4.550 -0.001 0.000 0.292 45 Y C 2.132 177.977 175.900 -0.093 0.000 1.130 45 Y CA 0.942 58.968 58.100 -0.124 0.000 1.254 45 Y CB -0.342 37.949 38.460 -0.281 0.000 1.000 45 Y HN 0.218 nan 8.280 nan 0.000 0.554 46 G N -0.816 107.922 108.800 -0.103 0.000 2.956 46 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.207 46 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.207 46 G C 1.149 175.971 174.900 -0.131 0.000 1.162 46 G CA 0.186 45.165 45.100 -0.201 0.000 0.796 46 G HN 0.492 nan 8.290 nan 0.000 0.527 47 F N 1.791 121.610 119.950 -0.219 0.000 2.147 47 F HA 0.317 4.844 4.527 -0.001 0.000 0.291 47 F C 2.439 178.131 175.800 -0.181 0.000 1.093 47 F CA 0.985 58.874 58.000 -0.185 0.000 1.263 47 F CB -0.028 38.909 39.000 -0.105 0.000 1.036 47 F HN 0.136 nan 8.300 nan 0.000 0.481 48 A N -0.444 122.288 122.820 -0.147 0.000 2.235 48 A HA 0.017 4.336 4.320 -0.001 0.000 0.208 48 A C 2.062 179.469 177.584 -0.294 0.000 1.172 48 A CA 0.706 52.613 52.037 -0.217 0.000 0.786 48 A CB -0.570 18.414 19.000 -0.026 0.000 0.804 48 A HN 0.393 nan 8.150 nan 0.000 0.479 49 K N -1.379 118.805 120.400 -0.359 0.000 2.286 49 K HA 0.074 4.393 4.320 -0.001 0.000 0.203 49 K C 2.147 178.568 176.600 -0.299 0.000 1.078 49 K CA 0.915 56.993 56.287 -0.349 0.000 0.957 49 K CB 0.102 32.337 32.500 -0.442 0.000 1.018 49 K HN 0.353 nan 8.250 nan 0.000 0.484 50 S N 1.193 116.713 115.700 -0.299 0.000 2.357 50 S HA -0.085 4.384 4.470 -0.001 0.000 0.221 50 S C 1.846 176.293 174.600 -0.255 0.000 1.031 50 S CA 0.776 58.825 58.200 -0.253 0.000 0.982 50 S CB -0.117 62.935 63.200 -0.247 0.000 0.853 50 S HN 0.246 nan 8.310 nan 0.000 0.458 51 L N 1.306 122.332 121.223 -0.328 0.000 2.362 51 L HA 0.190 4.530 4.340 -0.001 0.000 0.219 51 L C 1.843 178.568 176.870 -0.242 0.000 1.134 51 L CA 0.906 55.562 54.840 -0.306 0.000 0.807 51 L CB -0.428 41.350 42.059 -0.469 0.000 0.927 51 L HN 0.412 nan 8.230 nan 0.000 0.447 52 L N -1.040 120.019 121.223 -0.273 0.000 2.162 52 L HA -0.050 4.290 4.340 -0.001 0.000 0.205 52 L C 2.394 179.120 176.870 -0.240 0.000 1.086 52 L CA 1.349 56.010 54.840 -0.299 0.000 0.778 52 L CB -0.492 41.331 42.059 -0.393 0.000 0.928 52 L HN 0.093 nan 8.230 nan 0.000 0.446 53 K N 0.368 120.647 120.400 -0.202 0.000 2.147 53 K HA -0.013 4.307 4.320 -0.001 0.000 0.205 53 K C 1.837 178.375 176.600 -0.104 0.000 1.049 53 K CA 1.586 57.786 56.287 -0.146 0.000 0.936 53 K CB -0.360 32.065 32.500 -0.126 0.000 0.722 53 K HN 0.416 nan 8.250 nan 0.000 0.446 54 A N -0.352 122.407 122.820 -0.102 0.000 2.072 54 A HA 0.082 4.402 4.320 -0.001 0.000 0.216 54 A C 1.697 179.249 177.584 -0.053 0.000 1.156 54 A CA 0.491 52.489 52.037 -0.064 0.000 0.701 54 A CB -0.249 18.715 19.000 -0.060 0.000 0.816 54 A HN 0.264 nan 8.150 nan 0.000 0.458 55 L N -0.375 120.809 121.223 -0.065 0.000 2.622 55 L HA 0.033 4.373 4.340 -0.001 0.000 0.233 55 L C 1.867 178.728 176.870 -0.016 0.000 1.156 55 L CA 1.309 56.134 54.840 -0.024 0.000 0.866 55 L CB -0.293 41.772 42.059 0.010 0.000 0.980 55 L HN 0.298 nan 8.230 nan 0.000 0.448 56 K N -1.086 119.289 120.400 -0.042 0.000 2.243 56 K HA -0.046 4.274 4.320 -0.001 0.000 0.201 56 K C 1.652 178.238 176.600 -0.022 0.000 1.051 56 K CA 0.792 57.058 56.287 -0.034 0.000 0.970 56 K CB 0.212 32.680 32.500 -0.054 0.000 0.755 56 K HN 0.187 nan 8.250 nan 0.000 0.465 57 E N 0.846 121.032 120.200 -0.023 0.000 2.216 57 E HA -0.024 4.325 4.350 -0.001 0.000 0.192 57 E C -0.493 176.098 176.600 -0.014 0.000 0.973 57 E CA 0.638 57.026 56.400 -0.020 0.000 0.851 57 E CB -0.239 29.448 29.700 -0.022 0.000 0.804 57 E HN 0.394 nan 8.360 nan 0.000 0.477 58 D N -1.996 118.397 120.400 -0.011 0.000 9.405 58 D HA -0.097 4.542 4.640 -0.001 0.000 0.351 58 D C 0.538 176.834 176.300 -0.007 0.000 2.893 58 D CA 1.001 54.998 54.000 -0.005 0.000 2.102 58 D CB -0.811 39.992 40.800 0.005 0.000 1.141 58 D HN 0.293 nan 8.370 nan 0.000 1.146 59 G N -1.074 107.723 108.800 -0.005 0.000 2.635 59 G HA2 0.446 4.405 3.960 -0.001 0.000 0.194 59 G HA3 0.446 4.405 3.960 -0.001 0.000 0.194 59 G C -0.580 174.316 174.900 -0.008 0.000 1.198 59 G CA 0.337 45.432 45.100 -0.009 0.000 0.972 59 G HN 0.593 nan 8.290 nan 0.000 0.520 60 D N 0.025 120.416 120.400 -0.015 0.000 2.278 60 D HA 0.527 5.167 4.640 -0.001 0.000 0.228 60 D C 1.160 177.456 176.300 -0.008 0.000 1.020 60 D CA 1.462 55.453 54.000 -0.014 0.000 0.922 60 D CB 0.292 41.074 40.800 -0.030 0.000 1.051 60 D HN 0.652 nan 8.370 nan 0.000 0.452 61 A N -0.735 122.081 122.820 -0.008 0.000 2.535 61 A HA 0.728 5.048 4.320 -0.001 0.000 0.296 61 A C -1.741 175.850 177.584 0.010 0.000 1.248 61 A CA -0.534 51.505 52.037 0.002 0.000 0.686 61 A CB 1.237 20.238 19.000 0.003 0.000 1.315 61 A HN 0.000 nan 8.150 nan 0.000 0.460 62 V N 0.341 120.266 119.914 0.018 0.000 2.851 62 V HA 0.420 4.540 4.120 -0.001 0.000 0.307 62 V C -0.581 175.522 176.094 0.015 0.000 1.129 62 V CA -0.204 62.115 62.300 0.031 0.000 0.932 62 V CB 1.557 33.413 31.823 0.055 0.000 1.024 62 V HN 0.814 nan 8.190 nan 0.000 0.426 63 I N 2.683 123.245 120.570 -0.013 0.000 4.011 63 I HA 0.716 4.886 4.170 -0.001 0.000 0.258 63 I C -0.758 175.279 176.117 -0.133 0.000 1.393 63 I CA -1.100 60.154 61.300 -0.077 0.000 1.045 63 I CB 1.577 39.506 38.000 -0.118 0.000 1.523 63 I HN 0.288 nan 8.210 nan 0.000 0.613 64 V N 1.816 121.565 119.914 -0.274 0.000 2.752 64 V HA 0.424 4.543 4.120 -0.001 0.000 0.302 64 V C -0.729 174.899 176.094 -0.777 0.000 1.133 64 V CA -0.579 61.399 62.300 -0.537 0.000 0.919 64 V CB 2.050 33.646 31.823 -0.379 0.000 1.026 64 V HN 0.518 nan 8.190 nan 0.000 0.429 65 V N 1.507 120.817 119.914 -1.007 0.000 3.141 65 V HA 0.886 5.006 4.120 -0.001 0.000 0.312 65 V C -1.160 174.292 176.094 -1.069 0.000 1.157 65 V CA -0.721 60.965 62.300 -1.023 0.000 1.041 65 V CB 2.331 33.850 31.823 -0.507 0.000 1.071 65 V HN 0.556 nan 8.190 nan 0.000 0.441 66 F N -0.394 119.466 119.950 -0.150 0.000 2.712 66 F HA 0.770 5.296 4.527 -0.001 0.000 0.367 66 F C 0.068 175.829 175.800 -0.065 0.000 1.132 66 F CA -1.016 56.948 58.000 -0.060 0.000 1.066 66 F CB 0.580 39.562 39.000 -0.030 0.000 1.416 66 F HN 0.687 nan 8.300 nan 0.000 0.515 67 D N -0.834 119.652 120.400 0.143 0.000 2.388 67 D HA 0.645 5.285 4.640 -0.001 0.000 0.254 67 D C -0.417 175.851 176.300 -0.053 0.000 1.111 67 D CA -0.182 53.763 54.000 -0.092 0.000 0.993 67 D CB 1.566 42.178 40.800 -0.312 0.000 1.118 67 D HN 0.653 nan 8.370 nan 0.000 0.502 68 A N 1.700 124.453 122.820 -0.112 0.000 2.602 68 A HA 0.174 4.494 4.320 -0.001 0.000 0.238 68 A C 0.313 177.842 177.584 -0.092 0.000 0.863 68 A CA -0.450 51.541 52.037 -0.077 0.000 1.148 68 A CB -0.207 18.766 19.000 -0.045 0.000 1.227 68 A HN 0.372 nan 8.150 nan 0.000 0.460 69 K N -0.508 119.815 120.400 -0.129 0.000 2.155 69 K HA 0.645 4.965 4.320 -0.001 0.000 0.237 69 K C 1.464 178.025 176.600 -0.066 0.000 1.040 69 K CA 0.346 56.578 56.287 -0.093 0.000 0.912 69 K CB 0.897 33.328 32.500 -0.115 0.000 1.137 69 K HN 0.203 nan 8.250 nan 0.000 0.498 70 A N 1.270 124.068 122.820 -0.037 0.000 1.929 70 A HA 0.048 4.367 4.320 -0.001 0.000 0.216 70 A C -1.567 176.017 177.584 0.001 0.000 1.176 70 A CA 0.893 52.919 52.037 -0.019 0.000 0.628 70 A CB -0.730 18.267 19.000 -0.004 0.000 0.816 70 A HN 0.535 nan 8.150 nan 0.000 0.444 71 P HA 0.317 nan 4.420 nan 0.000 0.213 71 P C -1.272 176.084 177.300 0.093 0.000 1.840 71 P CA -0.079 63.054 63.100 0.056 0.000 1.192 71 P CB 0.836 32.568 31.700 0.053 0.000 1.717 72 S N 0.915 116.678 115.700 0.105 0.000 2.571 72 S HA 0.456 4.925 4.470 -0.001 0.000 0.238 72 S C -0.475 174.212 174.600 0.146 0.000 1.153 72 S CA -0.426 57.875 58.200 0.168 0.000 1.141 72 S CB -0.050 63.169 63.200 0.032 0.000 1.133 72 S HN 0.068 nan 8.310 nan 0.000 0.464 73 F N 2.337 122.329 119.950 0.070 0.000 2.784 73 F HA 0.444 4.970 4.527 -0.001 0.000 0.316 73 F C 1.856 177.620 175.800 -0.059 0.000 1.026 73 F CA -0.201 57.795 58.000 -0.007 0.000 1.188 73 F CB 0.400 39.400 39.000 -0.000 0.000 0.999 73 F HN 0.440 nan 8.300 nan 0.000 0.605 74 R N -0.996 119.636 120.500 0.219 0.000 2.140 74 R HA 0.047 4.386 4.340 -0.001 0.000 0.213 74 R C 1.909 178.151 176.300 -0.096 0.000 1.059 74 R CA 0.895 57.009 56.100 0.023 0.000 1.000 74 R CB -0.281 30.095 30.300 0.126 0.000 0.910 74 R HN 0.332 nan 8.270 nan 0.000 0.455 75 H N 1.119 120.253 119.070 0.106 0.000 2.294 75 H HA -0.050 4.505 4.556 -0.001 0.000 0.306 75 H C 1.231 176.596 175.328 0.062 0.000 1.065 75 H CA 1.345 57.470 56.048 0.128 0.000 1.343 75 H CB 0.109 29.967 29.762 0.160 0.000 1.396 75 H HN 0.351 nan 8.280 nan 0.000 0.506 76 E N 1.475 121.762 120.200 0.145 0.000 2.359 76 E HA 0.245 4.594 4.350 -0.001 0.000 0.187 76 E C 1.211 177.741 176.600 -0.117 0.000 1.081 76 E CA 0.167 56.604 56.400 0.062 0.000 0.929 76 E CB 0.238 29.948 29.700 0.017 0.000 1.086 76 E HN 0.254 nan 8.360 nan 0.000 0.462 77 A N 0.363 123.076 122.820 -0.179 0.000 2.206 77 A HA -0.015 4.305 4.320 -0.001 0.000 0.211 77 A C 0.870 178.264 177.584 -0.316 0.000 1.158 77 A CA 0.111 51.984 52.037 -0.273 0.000 0.761 77 A CB -0.553 18.248 19.000 -0.332 0.000 0.801 77 A HN 0.339 nan 8.150 nan 0.000 0.473 78 Y N -0.318 119.875 120.300 -0.178 0.000 2.616 78 Y HA 0.188 4.738 4.550 -0.001 0.000 0.296 78 Y C 1.675 177.372 175.900 -0.339 0.000 1.154 78 Y CA 0.500 58.538 58.100 -0.103 0.000 1.325 78 Y CB 0.095 38.699 38.460 0.240 0.000 1.007 78 Y HN 0.318 nan 8.280 nan 0.000 0.542 79 G N -1.522 106.892 108.800 -0.643 0.000 5.102 79 G HA2 0.299 4.259 3.960 -0.001 0.000 0.212 79 G HA3 0.299 4.259 3.960 -0.001 0.000 0.212 79 G C 1.175 175.702 174.900 -0.621 0.000 0.832 79 G CA 0.071 44.585 45.100 -0.977 0.000 0.718 79 G HN 0.331 nan 8.290 nan 0.000 0.506 80 G N 0.454 109.020 108.800 -0.391 0.000 2.408 80 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.217 80 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.217 80 G C 1.236 176.149 174.900 0.020 0.000 1.150 80 G CA 0.886 45.868 45.100 -0.197 0.000 0.776 80 G HN 0.388 nan 8.290 nan 0.000 0.542 81 Y N 0.923 121.136 120.300 -0.145 0.000 2.561 81 Y HA 0.211 4.761 4.550 -0.001 0.000 0.291 81 Y C 2.414 178.258 175.900 -0.093 0.000 1.141 81 Y CA -0.039 58.005 58.100 -0.094 0.000 1.303 81 Y CB -0.119 38.306 38.460 -0.058 0.000 1.015 81 Y HN 0.256 nan 8.280 nan 0.000 0.547 82 K N 0.193 120.595 120.400 0.002 0.000 2.107 82 K HA 0.501 4.820 4.320 -0.001 0.000 0.211 82 K C 0.366 176.946 176.600 -0.034 0.000 1.024 82 K CA 0.905 57.183 56.287 -0.015 0.000 0.953 82 K CB 0.117 32.605 32.500 -0.021 0.000 0.831 82 K HN -0.015 nan 8.250 nan 0.000 0.454 83 A N -0.151 122.608 122.820 -0.102 0.000 2.590 83 A HA 0.568 4.887 4.320 -0.001 0.000 0.296 83 A C -1.179 176.332 177.584 -0.121 0.000 1.050 83 A CA -0.189 51.805 52.037 -0.072 0.000 0.697 83 A CB 1.260 20.259 19.000 -0.002 0.000 1.277 83 A HN 0.434 nan 8.150 nan 0.000 0.411 84 G N -0.182 108.554 108.800 -0.107 0.000 2.906 84 G HA2 0.546 4.506 3.960 -0.001 0.000 0.686 84 G HA3 0.546 4.506 3.960 -0.001 0.000 0.686 84 G C -1.028 173.760 174.900 -0.188 0.000 1.170 84 G CA 0.007 45.034 45.100 -0.122 0.000 0.775 84 G HN 1.965 nan 8.290 nan 0.000 0.630 85 R N 0.370 120.752 120.500 -0.197 0.000 2.725 85 R HA 0.871 5.211 4.340 -0.001 0.000 0.254 85 R C -0.402 175.748 176.300 -0.250 0.000 1.076 85 R CA 0.671 56.587 56.100 -0.307 0.000 0.940 85 R CB 1.236 31.331 30.300 -0.342 0.000 1.260 85 R HN 2.436 nan 8.270 nan 0.000 0.466 86 A N 3.559 126.201 122.820 -0.297 0.000 2.581 86 A HA 0.851 5.170 4.320 -0.001 0.000 0.290 86 A C -2.978 174.565 177.584 -0.069 0.000 1.119 86 A CA -1.327 50.625 52.037 -0.143 0.000 0.670 86 A CB 2.071 21.030 19.000 -0.068 0.000 1.280 86 A HN 0.484 nan 8.150 nan 0.000 0.425 87 P HA 0.665 nan 4.420 nan 0.000 0.301 87 P C -1.010 176.439 177.300 0.248 0.000 1.337 87 P CA -0.100 63.148 63.100 0.246 0.000 0.889 87 P CB 1.755 33.553 31.700 0.164 0.000 1.050 88 T N 0.047 114.785 114.554 0.306 0.000 2.722 88 T HA 0.363 4.713 4.350 -0.001 0.000 0.314 88 T C -3.095 171.643 174.700 0.063 0.000 1.675 88 T CA -1.545 60.670 62.100 0.191 0.000 1.003 88 T CB -0.401 68.609 68.868 0.237 0.000 1.602 88 T HN 0.125 nan 8.240 nan 0.000 0.496 89 P HA 0.099 nan 4.420 nan 0.000 0.268 89 P C 0.568 177.775 177.300 -0.155 0.000 1.189 89 P CA 0.246 63.328 63.100 -0.032 0.000 0.771 89 P CB 0.379 32.102 31.700 0.039 0.000 0.822 90 E N -0.084 120.015 120.200 -0.169 0.000 2.478 90 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 90 E C 0.999 177.524 176.600 -0.125 0.000 1.045 90 E CA 0.707 56.970 56.400 -0.229 0.000 0.868 90 E CB -0.608 28.975 29.700 -0.196 0.000 0.885 90 E HN 0.374 nan 8.360 nan 0.000 0.505 91 D N -0.989 119.388 120.400 -0.039 0.000 2.269 91 D HA -0.070 4.570 4.640 -0.001 0.000 0.208 91 D C 0.644 176.976 176.300 0.053 0.000 0.963 91 D CA 0.639 54.664 54.000 0.042 0.000 0.864 91 D CB 0.037 40.919 40.800 0.136 0.000 0.936 91 D HN 0.222 nan 8.370 nan 0.000 0.505 92 F N 0.375 120.143 119.950 -0.304 0.000 2.653 92 F HA 0.288 4.814 4.527 -0.001 0.000 0.288 92 F C -1.498 174.115 175.800 -0.312 0.000 1.121 92 F CA -0.862 56.851 58.000 -0.477 0.000 1.384 92 F CB -0.351 38.119 39.000 -0.884 0.000 1.115 92 F HN -0.077 nan 8.300 nan 0.000 0.599 93 P HA -0.146 nan 4.420 nan 0.000 0.236 93 P C 1.450 178.598 177.300 -0.253 0.000 1.172 93 P CA 0.968 63.884 63.100 -0.307 0.000 0.759 93 P CB -0.224 31.381 31.700 -0.158 0.000 0.843 94 R N 0.306 120.683 120.500 -0.206 0.000 2.173 94 R HA 0.033 4.373 4.340 -0.001 0.000 0.208 94 R C 2.124 178.341 176.300 -0.139 0.000 1.035 94 R CA 0.744 56.770 56.100 -0.123 0.000 1.004 94 R CB 0.028 30.294 30.300 -0.056 0.000 0.917 94 R HN 0.230 nan 8.270 nan 0.000 0.462 95 Q N 0.127 119.805 119.800 -0.203 0.000 2.083 95 Q HA -0.077 4.262 4.340 -0.001 0.000 0.198 95 Q C 1.712 177.577 176.000 -0.224 0.000 0.969 95 Q CA 1.069 56.780 55.803 -0.154 0.000 0.838 95 Q CB 0.065 28.765 28.738 -0.063 0.000 0.900 95 Q HN 0.179 nan 8.270 nan 0.000 0.436 96 L N 0.087 121.042 121.223 -0.447 0.000 2.622 96 L HA 0.012 4.352 4.340 -0.001 0.000 0.233 96 L C 1.749 178.463 176.870 -0.260 0.000 1.156 96 L CA 0.607 55.189 54.840 -0.430 0.000 0.866 96 L CB -0.291 41.272 42.059 -0.828 0.000 0.980 96 L HN 0.078 nan 8.230 nan 0.000 0.448 97 A N -0.868 121.813 122.820 -0.232 0.000 2.238 97 A HA 0.198 4.518 4.320 -0.001 0.000 0.208 97 A C 1.924 179.432 177.584 -0.127 0.000 1.177 97 A CA 0.614 52.507 52.037 -0.240 0.000 0.804 97 A CB -0.361 18.522 19.000 -0.196 0.000 0.823 97 A HN 0.434 nan 8.150 nan 0.000 0.482 98 L N -1.079 120.109 121.223 -0.059 0.000 2.575 98 L HA 0.187 4.527 4.340 -0.001 0.000 0.228 98 L C 1.631 178.469 176.870 -0.055 0.000 1.075 98 L CA -0.003 54.855 54.840 0.030 0.000 0.867 98 L CB 0.125 42.238 42.059 0.090 0.000 1.097 98 L HN 0.211 nan 8.230 nan 0.000 0.485 99 I N 0.717 121.231 120.570 -0.093 0.000 2.852 99 I HA -0.112 4.057 4.170 -0.001 0.000 0.264 99 I C 2.320 178.306 176.117 -0.218 0.000 1.179 99 I CA 0.965 62.134 61.300 -0.219 0.000 1.480 99 I CB -0.646 37.286 38.000 -0.112 0.000 1.111 99 I HN 0.349 nan 8.210 nan 0.000 0.441 100 K N 1.302 121.633 120.400 -0.115 0.000 2.211 100 K HA -0.171 4.148 4.320 -0.001 0.000 0.204 100 K C 1.452 177.969 176.600 -0.139 0.000 1.047 100 K CA 1.509 57.738 56.287 -0.097 0.000 0.935 100 K CB -0.193 32.212 32.500 -0.159 0.000 0.728 100 K HN 0.235 nan 8.250 nan 0.000 0.452 101 E N 0.677 120.734 120.200 -0.238 0.000 2.140 101 E HA 0.004 4.354 4.350 -0.001 0.000 0.191 101 E C 1.491 177.863 176.600 -0.380 0.000 0.973 101 E CA 0.245 56.452 56.400 -0.321 0.000 0.829 101 E CB 0.004 29.385 29.700 -0.532 0.000 0.781 101 E HN 0.068 nan 8.360 nan 0.000 0.466 102 L N 0.451 121.415 121.223 -0.431 0.000 2.622 102 L HA -0.033 4.306 4.340 -0.001 0.000 0.233 102 L C 1.598 178.376 176.870 -0.154 0.000 1.156 102 L CA 0.735 55.378 54.840 -0.329 0.000 0.866 102 L CB 0.032 41.859 42.059 -0.386 0.000 0.980 102 L HN 0.028 nan 8.230 nan 0.000 0.448 103 V N -0.521 119.310 119.914 -0.137 0.000 2.244 103 V HA -0.271 3.849 4.120 -0.001 0.000 0.244 103 V C 1.621 177.748 176.094 0.055 0.000 1.042 103 V CA 2.188 64.499 62.300 0.019 0.000 1.006 103 V CB -0.378 31.460 31.823 0.024 0.000 0.641 103 V HN 0.442 nan 8.190 nan 0.000 0.446 104 D N -0.388 120.015 120.400 0.005 0.000 2.363 104 D HA 0.013 4.652 4.640 -0.001 0.000 0.220 104 D C 1.848 178.155 176.300 0.011 0.000 0.994 104 D CA 0.393 54.399 54.000 0.011 0.000 0.890 104 D CB 0.024 40.825 40.800 0.000 0.000 0.906 104 D HN 0.340 nan 8.370 nan 0.000 0.530 105 L N -0.120 121.105 121.223 0.003 0.000 2.341 105 L HA 0.075 4.414 4.340 -0.001 0.000 0.214 105 L C 1.770 178.669 176.870 0.050 0.000 1.115 105 L CA 0.427 55.276 54.840 0.014 0.000 0.820 105 L CB 0.057 42.106 42.059 -0.017 0.000 0.944 105 L HN 0.129 nan 8.230 nan 0.000 0.452 106 L N -0.210 121.063 121.223 0.084 0.000 2.592 106 L HA 0.171 4.511 4.340 -0.001 0.000 0.227 106 L C 1.028 177.928 176.870 0.050 0.000 1.127 106 L CA 0.430 55.320 54.840 0.084 0.000 0.884 106 L CB 0.045 42.183 42.059 0.132 0.000 1.065 106 L HN 0.470 nan 8.230 nan 0.000 0.457 107 G N 0.618 109.443 108.800 0.043 0.000 2.164 107 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.212 107 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.212 107 G C -0.147 174.771 174.900 0.029 0.000 1.031 107 G CA -0.310 44.806 45.100 0.026 0.000 0.730 107 G HN 0.192 nan 8.290 nan 0.000 0.501 108 L N -0.240 121.009 121.223 0.044 0.000 2.344 108 L HA 0.846 5.185 4.340 -0.001 0.000 0.272 108 L C 1.003 177.883 176.870 0.018 0.000 1.035 108 L CA -0.626 54.239 54.840 0.042 0.000 0.807 108 L CB 1.549 43.661 42.059 0.088 0.000 1.237 108 L HN 0.293 nan 8.230 nan 0.000 0.442 109 A N 2.526 125.342 122.820 -0.007 0.000 2.257 109 A HA 0.832 5.151 4.320 -0.001 0.000 0.290 109 A C -0.291 177.255 177.584 -0.064 0.000 1.201 109 A CA -0.398 51.618 52.037 -0.035 0.000 0.863 109 A CB 0.693 19.660 19.000 -0.055 0.000 1.256 109 A HN 0.895 nan 8.150 nan 0.000 0.506 110 R N -1.667 118.781 120.500 -0.086 0.000 2.739 110 R HA 0.843 5.182 4.340 -0.001 0.000 0.271 110 R C -1.972 174.235 176.300 -0.155 0.000 1.010 110 R CA -0.716 55.307 56.100 -0.129 0.000 0.897 110 R CB 1.286 31.555 30.300 -0.052 0.000 1.236 110 R HN 0.739 nan 8.270 nan 0.000 0.466 111 L N 0.370 121.454 121.223 -0.232 0.000 2.612 111 L HA 0.452 4.792 4.340 -0.001 0.000 0.256 111 L C -1.819 174.899 176.870 -0.254 0.000 0.949 111 L CA -0.156 54.562 54.840 -0.204 0.000 0.867 111 L CB 2.463 44.392 42.059 -0.215 0.000 1.417 111 L HN 0.925 nan 8.230 nan 0.000 0.414 112 E N 3.403 123.531 120.200 -0.119 0.000 2.343 112 E HA 0.554 4.903 4.350 -0.001 0.000 0.288 112 E C -1.835 174.763 176.600 -0.004 0.000 0.907 112 E CA -0.818 55.557 56.400 -0.041 0.000 0.792 112 E CB 1.930 31.724 29.700 0.157 0.000 1.275 112 E HN 0.287 nan 8.360 nan 0.000 0.402 113 V N 3.584 123.500 119.914 0.003 0.000 2.376 113 V HA 0.409 4.529 4.120 -0.001 0.000 0.287 113 V C -2.051 174.056 176.094 0.022 0.000 1.015 113 V CA -1.346 60.973 62.300 0.032 0.000 0.834 113 V CB 1.272 33.143 31.823 0.079 0.000 1.001 113 V HN 0.637 nan 8.190 nan 0.000 0.428 114 P HA 0.549 nan 4.420 nan 0.000 0.284 114 P C 0.661 177.852 177.300 -0.182 0.000 1.253 114 P CA 0.534 63.593 63.100 -0.070 0.000 0.800 114 P CB 2.017 33.680 31.700 -0.062 0.000 0.961 115 G N 2.016 110.692 108.800 -0.206 0.000 2.604 115 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.205 115 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.205 115 G C -0.666 174.031 174.900 -0.339 0.000 1.186 115 G CA -0.518 44.368 45.100 -0.357 0.000 0.753 115 G HN 0.476 nan 8.290 nan 0.000 0.526 116 Y N 3.095 123.371 120.300 -0.039 0.000 2.304 116 Y HA 0.597 5.147 4.550 -0.001 0.000 0.328 116 Y C 1.037 176.910 175.900 -0.045 0.000 1.123 116 Y CA -0.756 57.320 58.100 -0.041 0.000 1.218 116 Y CB 0.572 39.008 38.460 -0.039 0.000 1.207 116 Y HN 0.347 nan 8.280 nan 0.000 0.495 117 E N 0.930 121.198 120.200 0.113 0.000 2.422 117 E HA 0.138 4.488 4.350 -0.001 0.000 0.260 117 E C 0.637 177.258 176.600 0.036 0.000 1.108 117 E CA 0.285 56.708 56.400 0.038 0.000 0.943 117 E CB 0.647 30.373 29.700 0.044 0.000 0.961 117 E HN 0.844 nan 8.360 nan 0.000 0.443 118 A N 2.704 125.521 122.820 -0.004 0.000 1.972 118 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 118 A C 1.478 179.108 177.584 0.076 0.000 1.169 118 A CA 1.490 53.540 52.037 0.022 0.000 0.635 118 A CB -0.220 18.781 19.000 0.000 0.000 0.810 118 A HN 0.636 nan 8.150 nan 0.000 0.446 119 D N -0.044 120.423 120.400 0.112 0.000 2.269 119 D HA -0.099 4.541 4.640 -0.001 0.000 0.208 119 D C 0.648 176.973 176.300 0.043 0.000 0.963 119 D CA 1.027 55.083 54.000 0.094 0.000 0.864 119 D CB -0.167 40.697 40.800 0.106 0.000 0.936 119 D HN 0.460 nan 8.370 nan 0.000 0.505 120 D N 0.407 120.825 120.400 0.030 0.000 2.289 120 D HA -0.045 4.595 4.640 -0.001 0.000 0.207 120 D C 2.271 178.556 176.300 -0.024 0.000 0.966 120 D CA 0.244 54.240 54.000 -0.006 0.000 0.868 120 D CB 0.579 41.371 40.800 -0.013 0.000 0.943 120 D HN 0.096 nan 8.370 nan 0.000 0.514 121 V N 1.321 121.232 119.914 -0.006 0.000 2.453 121 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 121 V C 2.590 178.678 176.094 -0.010 0.000 1.048 121 V CA 0.905 63.194 62.300 -0.019 0.000 1.049 121 V CB -0.399 31.410 31.823 -0.023 0.000 0.672 121 V HN 0.147 nan 8.190 nan 0.000 0.457 122 L N 0.512 121.738 121.223 0.005 0.000 2.093 122 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 122 L C 2.695 179.568 176.870 0.006 0.000 1.085 122 L CA 1.476 56.324 54.840 0.014 0.000 0.755 122 L CB -0.811 41.264 42.059 0.026 0.000 0.904 122 L HN 0.333 nan 8.230 nan 0.000 0.435 123 A N -0.682 122.136 122.820 -0.005 0.000 1.968 123 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 123 A C 2.497 180.072 177.584 -0.015 0.000 1.169 123 A CA 1.756 53.784 52.037 -0.014 0.000 0.638 123 A CB -0.376 18.611 19.000 -0.021 0.000 0.812 123 A HN 0.355 nan 8.150 nan 0.000 0.446 124 S N -0.120 115.569 115.700 -0.018 0.000 2.377 124 S HA 0.024 4.494 4.470 -0.001 0.000 0.223 124 S C 1.666 176.282 174.600 0.027 0.000 1.030 124 S CA 1.111 59.302 58.200 -0.015 0.000 0.970 124 S CB -0.334 62.841 63.200 -0.041 0.000 0.830 124 S HN 0.510 nan 8.310 nan 0.000 0.473 125 L N 0.959 122.211 121.223 0.048 0.000 2.395 125 L HA 0.065 4.405 4.340 -0.001 0.000 0.218 125 L C 2.488 179.412 176.870 0.091 0.000 1.130 125 L CA 0.625 55.539 54.840 0.123 0.000 0.826 125 L CB -0.494 41.645 42.059 0.133 0.000 0.941 125 L HN 0.302 nan 8.230 nan 0.000 0.451 126 A N -0.151 122.690 122.820 0.036 0.000 1.878 126 A HA -0.066 4.254 4.320 -0.001 0.000 0.213 126 A C 2.205 179.785 177.584 -0.007 0.000 1.192 126 A CA 0.880 52.919 52.037 0.004 0.000 0.619 126 A CB -0.062 18.930 19.000 -0.013 0.000 0.837 126 A HN 0.106 nan 8.150 nan 0.000 0.446 127 K N 0.061 120.458 120.400 -0.004 0.000 2.366 127 K HA 0.022 4.342 4.320 -0.001 0.000 0.198 127 K C 1.722 178.323 176.600 0.002 0.000 1.044 127 K CA 0.891 57.171 56.287 -0.012 0.000 0.973 127 K CB -0.048 32.441 32.500 -0.019 0.000 0.767 127 K HN 0.541 nan 8.250 nan 0.000 0.475 128 K N 0.854 121.274 120.400 0.033 0.000 2.076 128 K HA 0.031 4.351 4.320 -0.001 0.000 0.204 128 K C 1.885 178.518 176.600 0.055 0.000 1.051 128 K CA 0.895 57.221 56.287 0.065 0.000 0.949 128 K CB 0.076 32.657 32.500 0.136 0.000 0.726 128 K HN 0.024 nan 8.250 nan 0.000 0.443 129 A N 0.920 123.754 122.820 0.024 0.000 2.119 129 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 129 A C 1.838 179.407 177.584 -0.025 0.000 1.153 129 A CA 1.094 53.122 52.037 -0.015 0.000 0.692 129 A CB -0.298 18.609 19.000 -0.155 0.000 0.799 129 A HN 0.473 nan 8.150 nan 0.000 0.458 130 E N -0.217 119.962 120.200 -0.034 0.000 2.107 130 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 130 E C 1.855 178.414 176.600 -0.069 0.000 0.982 130 E CA 1.303 57.673 56.400 -0.050 0.000 0.809 130 E CB -0.011 29.661 29.700 -0.046 0.000 0.756 130 E HN 0.399 nan 8.360 nan 0.000 0.459 131 K N 0.957 121.322 120.400 -0.058 0.000 2.228 131 K HA -0.072 4.248 4.320 -0.001 0.000 0.202 131 K C 1.614 178.153 176.600 -0.103 0.000 1.051 131 K CA 1.118 57.367 56.287 -0.064 0.000 0.960 131 K CB 0.167 32.645 32.500 -0.037 0.000 0.743 131 K HN 0.139 nan 8.250 nan 0.000 0.458 132 E N -1.677 118.435 120.200 -0.146 0.000 2.216 132 E HA 0.049 4.399 4.350 -0.001 0.000 0.192 132 E C 0.724 177.067 176.600 -0.429 0.000 0.988 132 E CA 0.782 57.017 56.400 -0.274 0.000 0.834 132 E CB 0.251 29.761 29.700 -0.317 0.000 0.772 132 E HN 0.477 nan 8.360 nan 0.000 0.479 133 G N -0.064 108.516 108.800 -0.367 0.000 2.205 133 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.180 133 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.180 133 G C -0.326 174.406 174.900 -0.280 0.000 1.004 133 G CA -0.466 44.446 45.100 -0.312 0.000 0.670 133 G HN 0.067 nan 8.290 nan 0.000 0.496 134 Y N 0.853 121.079 120.300 -0.122 0.000 2.300 134 Y HA 0.612 5.162 4.550 -0.001 0.000 0.328 134 Y C 0.847 176.681 175.900 -0.109 0.000 1.270 134 Y CA -1.013 57.002 58.100 -0.141 0.000 1.352 134 Y CB 0.704 39.012 38.460 -0.253 0.000 1.286 134 Y HN 0.171 nan 8.280 nan 0.000 0.536 135 E N 1.796 122.057 120.200 0.101 0.000 2.174 135 E HA 0.541 4.891 4.350 -0.001 0.000 0.282 135 E C -1.263 175.351 176.600 0.023 0.000 0.992 135 E CA -0.571 55.860 56.400 0.052 0.000 0.803 135 E CB 0.763 30.498 29.700 0.059 0.000 1.090 135 E HN 0.522 nan 8.360 nan 0.000 0.396 136 V N 1.697 121.617 119.914 0.011 0.000 3.158 136 V HA 0.739 4.858 4.120 -0.001 0.000 0.315 136 V C -0.829 175.269 176.094 0.007 0.000 1.148 136 V CA -1.192 61.102 62.300 -0.009 0.000 1.042 136 V CB 1.881 33.685 31.823 -0.032 0.000 1.101 136 V HN 0.798 nan 8.190 nan 0.000 0.448 137 R N 1.248 121.747 120.500 -0.002 0.000 2.912 137 R HA 0.455 4.794 4.340 -0.001 0.000 0.278 137 R C 0.455 176.741 176.300 -0.023 0.000 1.533 137 R CA -0.435 55.663 56.100 -0.004 0.000 1.061 137 R CB 0.640 30.954 30.300 0.024 0.000 1.313 137 R HN 0.790 nan 8.270 nan 0.000 0.443 138 I N -0.234 120.311 120.570 -0.041 0.000 2.181 138 I HA -0.365 3.805 4.170 -0.001 0.000 0.240 138 I C 0.104 176.196 176.117 -0.042 0.000 1.006 138 I CA 0.958 62.233 61.300 -0.040 0.000 1.284 138 I CB -0.763 37.207 38.000 -0.051 0.000 0.990 138 I HN 0.507 nan 8.210 nan 0.000 0.408 139 L N 0.785 121.950 121.223 -0.098 0.000 2.827 139 L HA -0.185 4.155 4.340 -0.001 0.000 0.474 139 L C -0.085 176.738 176.870 -0.079 0.000 1.003 139 L CA 1.895 56.628 54.840 -0.178 0.000 1.187 139 L CB -1.471 40.554 42.059 -0.056 0.000 0.837 139 L HN 0.827 nan 8.230 nan 0.000 0.580 140 T N 0.483 114.939 114.554 -0.164 0.000 2.700 140 T HA 0.817 5.167 4.350 -0.001 0.000 0.307 140 T C 0.202 174.931 174.700 0.049 0.000 1.580 140 T CA 0.398 62.502 62.100 0.005 0.000 0.992 140 T CB 1.378 70.213 68.868 -0.054 0.000 1.577 140 T HN 0.887 nan 8.240 nan 0.000 0.496 141 A N 0.884 123.744 122.820 0.067 0.000 1.999 141 A HA 0.411 4.731 4.320 -0.001 0.000 0.200 141 A C 0.273 177.806 177.584 -0.084 0.000 1.363 141 A CA 0.879 52.940 52.037 0.039 0.000 0.844 141 A CB -0.661 18.389 19.000 0.083 0.000 0.954 141 A HN 0.917 nan 8.150 nan 0.000 0.481 142 D N 0.689 120.996 120.400 -0.155 0.000 2.414 142 D HA 0.227 4.866 4.640 -0.001 0.000 0.242 142 D C -0.278 175.892 176.300 -0.217 0.000 1.129 142 D CA -0.231 53.594 54.000 -0.292 0.000 0.885 142 D CB 0.483 40.886 40.800 -0.661 0.000 1.198 142 D HN 0.057 nan 8.370 nan 0.000 0.437 143 K N 2.226 122.520 120.400 -0.177 0.000 2.243 143 K HA 0.057 4.376 4.320 -0.001 0.000 0.232 143 K C -0.755 175.809 176.600 -0.061 0.000 1.237 143 K CA 0.124 56.345 56.287 -0.110 0.000 1.161 143 K CB 0.169 32.645 32.500 -0.041 0.000 1.505 143 K HN 0.505 nan 8.250 nan 0.000 0.271 144 D N -0.106 120.247 120.400 -0.077 0.000 2.680 144 D HA 0.076 4.716 4.640 -0.001 0.000 0.295 144 D C -0.533 175.768 176.300 0.001 0.000 1.097 144 D CA 0.055 54.040 54.000 -0.024 0.000 0.952 144 D CB 0.385 41.157 40.800 -0.047 0.000 1.491 144 D HN 0.082 nan 8.370 nan 0.000 0.486 145 L N 1.076 122.272 121.223 -0.046 0.000 2.265 145 L HA 0.360 4.699 4.340 -0.001 0.000 0.289 145 L C -0.632 176.214 176.870 -0.041 0.000 1.033 145 L CA -0.089 54.730 54.840 -0.034 0.000 0.814 145 L CB 1.112 43.149 42.059 -0.037 0.000 1.203 145 L HN 0.091 nan 8.230 nan 0.000 0.423 146 Y N 0.814 120.962 120.300 -0.253 0.000 2.841 146 Y HA -0.033 4.517 4.550 -0.001 0.000 0.316 146 Y C 1.548 177.137 175.900 -0.518 0.000 0.914 146 Y CA -0.221 57.580 58.100 -0.499 0.000 1.052 146 Y CB 0.265 38.201 38.460 -0.873 0.000 1.439 146 Y HN 0.720 nan 8.280 nan 0.000 0.574 147 Q N 0.070 119.785 119.800 -0.142 0.000 2.378 147 Q HA 0.046 4.385 4.340 -0.001 0.000 0.205 147 Q C 0.758 176.680 176.000 -0.131 0.000 0.954 147 Q CA 1.281 57.022 55.803 -0.103 0.000 0.901 147 Q CB -0.111 28.659 28.738 0.053 0.000 0.981 147 Q HN 0.462 nan 8.270 nan 0.000 0.483 148 L N 1.205 122.354 121.223 -0.123 0.000 2.627 148 L HA 0.184 4.524 4.340 -0.001 0.000 0.232 148 L C 0.230 177.007 176.870 -0.156 0.000 1.150 148 L CA -0.484 54.289 54.840 -0.111 0.000 0.917 148 L CB 0.078 42.093 42.059 -0.074 0.000 1.104 148 L HN 0.203 nan 8.230 nan 0.000 0.445 149 L N -0.064 121.017 121.223 -0.236 0.000 2.325 149 L HA 0.298 4.638 4.340 -0.001 0.000 0.284 149 L C 0.083 176.808 176.870 -0.241 0.000 1.089 149 L CA 0.854 55.530 54.840 -0.273 0.000 0.836 149 L CB 0.406 42.213 42.059 -0.420 0.000 1.184 149 L HN -0.004 nan 8.230 nan 0.000 0.444 150 S N 2.071 117.648 115.700 -0.205 0.000 3.144 150 S HA 0.400 4.870 4.470 -0.001 0.000 0.325 150 S C -1.503 172.983 174.600 -0.190 0.000 1.161 150 S CA -0.656 57.442 58.200 -0.169 0.000 0.920 150 S CB 0.817 63.941 63.200 -0.126 0.000 1.340 150 S HN 0.728 nan 8.310 nan 0.000 0.681 151 D N 0.853 121.169 120.400 -0.141 0.000 2.414 151 D HA 0.172 4.812 4.640 -0.001 0.000 0.242 151 D C 0.203 176.405 176.300 -0.162 0.000 1.129 151 D CA -0.086 53.830 54.000 -0.139 0.000 0.885 151 D CB 0.376 41.130 40.800 -0.076 0.000 1.198 151 D HN 0.482 nan 8.370 nan 0.000 0.437 152 R N -0.053 120.332 120.500 -0.192 0.000 3.884 152 R HA -0.185 4.155 4.340 -0.001 0.000 0.464 152 R C -0.148 176.041 176.300 -0.186 0.000 0.963 152 R CA 0.867 56.891 56.100 -0.127 0.000 1.408 152 R CB -1.955 28.313 30.300 -0.053 0.000 2.054 152 R HN 0.672 nan 8.270 nan 0.000 0.522 153 I N 1.194 121.576 120.570 -0.313 0.000 2.339 153 I HA 0.294 4.463 4.170 -0.001 0.000 0.290 153 I C 0.648 176.514 176.117 -0.418 0.000 0.994 153 I CA -0.463 60.690 61.300 -0.245 0.000 1.191 153 I CB 1.305 39.201 38.000 -0.174 0.000 1.343 153 I HN 0.014 nan 8.210 nan 0.000 0.458 154 H N 3.846 122.874 119.070 -0.071 0.000 2.960 154 H HA 0.699 5.255 4.556 -0.001 0.000 0.302 154 H C -0.892 174.376 175.328 -0.099 0.000 1.515 154 H CA -0.758 55.241 56.048 -0.082 0.000 1.431 154 H CB 1.878 31.601 29.762 -0.064 0.000 1.890 154 H HN 0.202 nan 8.280 nan 0.000 0.762 155 V N 1.445 121.384 119.914 0.041 0.000 2.588 155 V HA 0.445 4.564 4.120 -0.001 0.000 0.304 155 V C -0.685 175.352 176.094 -0.095 0.000 1.042 155 V CA -0.372 61.890 62.300 -0.063 0.000 0.877 155 V CB 1.678 33.441 31.823 -0.099 0.000 0.996 155 V HN 0.498 nan 8.190 nan 0.000 0.425 156 L N 2.714 123.876 121.223 -0.101 0.000 2.910 156 L HA 0.826 5.166 4.340 -0.001 0.000 0.271 156 L C -1.801 175.069 176.870 -0.001 0.000 1.056 156 L CA -0.408 54.401 54.840 -0.051 0.000 1.006 156 L CB 2.450 44.499 42.059 -0.016 0.000 1.589 156 L HN 0.749 nan 8.230 nan 0.000 0.365 157 H N -0.829 118.239 119.070 -0.002 0.000 2.988 157 H HA 0.257 4.813 4.556 -0.001 0.000 0.284 157 H C -2.547 172.777 175.328 -0.006 0.000 1.284 157 H CA -0.600 55.449 56.048 0.001 0.000 1.431 157 H CB 1.911 31.683 29.762 0.017 0.000 1.954 157 H HN 0.293 nan 8.280 nan 0.000 0.509 158 P HA 0.037 nan 4.420 nan 0.000 0.241 158 P C 0.352 177.584 177.300 -0.113 0.000 1.191 158 P CA 0.728 63.785 63.100 -0.071 0.000 0.771 158 P CB 0.879 32.508 31.700 -0.119 0.000 0.929 159 E N 0.233 120.343 120.200 -0.149 0.000 2.045 159 E HA 0.211 4.560 4.350 -0.001 0.000 0.190 159 E C 1.273 177.867 176.600 -0.009 0.000 0.968 159 E CA 0.600 56.923 56.400 -0.129 0.000 0.813 159 E CB -0.132 29.426 29.700 -0.236 0.000 0.780 159 E HN 0.176 nan 8.360 nan 0.000 0.455 160 G N -0.402 108.450 108.800 0.088 0.000 2.682 160 G HA2 0.323 4.283 3.960 -0.001 0.000 0.290 160 G HA3 0.323 4.283 3.960 -0.001 0.000 0.290 160 G C -0.516 174.576 174.900 0.321 0.000 1.425 160 G CA -0.452 44.722 45.100 0.123 0.000 0.807 160 G HN 0.111 nan 8.290 nan 0.000 0.482 161 Y N -0.933 119.384 120.300 0.028 0.000 2.020 161 Y HA -0.111 4.439 4.550 -0.001 0.000 0.330 161 Y C -0.208 175.647 175.900 -0.074 0.000 1.033 161 Y CA 0.248 58.336 58.100 -0.021 0.000 1.319 161 Y CB -1.050 37.390 38.460 -0.034 0.000 1.090 161 Y HN 0.838 nan 8.280 nan 0.000 0.841 162 L N 0.172 121.269 121.223 -0.210 0.000 2.472 162 L HA 0.724 5.064 4.340 -0.001 0.000 0.260 162 L C -1.267 175.178 176.870 -0.709 0.000 0.963 162 L CA -0.645 53.986 54.840 -0.347 0.000 0.829 162 L CB 1.900 43.847 42.059 -0.187 0.000 1.348 162 L HN 0.637 nan 8.230 nan 0.000 0.408 163 I N 1.961 122.171 120.570 -0.600 0.000 2.647 163 I HA 0.468 4.638 4.170 -0.001 0.000 0.295 163 I C -0.104 175.864 176.117 -0.248 0.000 1.078 163 I CA -0.333 60.533 61.300 -0.723 0.000 1.048 163 I CB 2.735 40.322 38.000 -0.689 0.000 1.239 163 I HN 0.665 nan 8.210 nan 0.000 0.421 164 T N 1.109 115.663 114.554 0.001 0.000 2.910 164 T HA 0.459 4.809 4.350 -0.001 0.000 0.279 164 T C -2.297 172.479 174.700 0.126 0.000 0.989 164 T CA -1.765 60.433 62.100 0.162 0.000 0.968 164 T CB 1.642 70.683 68.868 0.289 0.000 1.135 164 T HN 0.229 nan 8.240 nan 0.000 0.562 165 P HA 0.222 nan 4.420 nan 0.000 0.227 165 P C 1.278 178.640 177.300 0.103 0.000 1.161 165 P CA 0.545 63.647 63.100 0.004 0.000 0.788 165 P CB -0.182 31.495 31.700 -0.038 0.000 0.822 166 A N -1.694 121.236 122.820 0.184 0.000 2.067 166 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 166 A C 1.838 179.568 177.584 0.242 0.000 1.156 166 A CA 0.442 52.615 52.037 0.228 0.000 0.683 166 A CB -1.446 17.638 19.000 0.140 0.000 0.808 166 A HN 0.242 nan 8.150 nan 0.000 0.455 167 W N -0.066 121.266 121.300 0.053 0.000 2.699 167 W HA 0.014 4.674 4.660 -0.000 0.000 0.249 167 W C 1.474 178.032 176.519 0.064 0.000 1.280 167 W CA 0.660 58.028 57.345 0.038 0.000 1.345 167 W CB 0.069 29.522 29.460 -0.012 0.000 1.128 167 W HN 0.308 nan 8.180 nan 0.000 0.642 168 L N -0.572 120.804 121.223 0.256 0.000 2.270 168 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 168 L C 1.807 178.866 176.870 0.315 0.000 1.104 168 L CA 1.322 56.265 54.840 0.172 0.000 0.804 168 L CB -1.022 40.899 42.059 -0.230 0.000 0.937 168 L HN -0.024 nan 8.230 nan 0.000 0.450 169 W N 1.327 122.707 121.300 0.133 0.000 3.047 169 W HA -0.039 4.621 4.660 -0.000 0.000 0.250 169 W C 1.901 178.470 176.519 0.084 0.000 1.314 169 W CA 0.224 57.640 57.345 0.119 0.000 1.540 169 W CB 0.133 29.628 29.460 0.058 0.000 1.127 169 W HN 0.252 nan 8.180 nan 0.000 0.679 170 E N 0.159 120.520 120.200 0.267 0.000 2.004 170 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 170 E C 2.131 178.772 176.600 0.069 0.000 0.981 170 E CA 1.458 57.916 56.400 0.096 0.000 0.842 170 E CB -0.420 29.258 29.700 -0.036 0.000 0.796 170 E HN -0.144 nan 8.360 nan 0.000 0.477 171 K N -0.753 119.619 120.400 -0.047 0.000 2.062 171 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 171 K C 2.157 178.724 176.600 -0.055 0.000 1.051 171 K CA 1.124 57.321 56.287 -0.149 0.000 0.941 171 K CB -0.076 32.193 32.500 -0.385 0.000 0.719 171 K HN 0.131 nan 8.250 nan 0.000 0.440 172 Y N -0.681 119.776 120.300 0.263 0.000 2.153 172 Y HA 0.062 4.612 4.550 -0.000 0.000 0.289 172 Y C 1.969 178.023 175.900 0.255 0.000 1.119 172 Y CA 1.059 59.334 58.100 0.292 0.000 1.116 172 Y CB -0.609 38.071 38.460 0.367 0.000 1.004 172 Y HN 0.329 nan 8.280 nan 0.000 0.501 173 G N -0.976 108.086 108.800 0.437 0.000 2.175 173 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 173 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 173 G C -0.092 174.961 174.900 0.254 0.000 0.982 173 G CA 0.055 45.408 45.100 0.421 0.000 0.641 173 G HN 0.103 nan 8.290 nan 0.000 0.527 174 L N 0.331 121.654 121.223 0.167 0.000 2.387 174 L HA 0.631 4.971 4.340 -0.001 0.000 0.266 174 L C 1.142 177.913 176.870 -0.166 0.000 1.059 174 L CA -0.628 54.230 54.840 0.031 0.000 0.801 174 L CB 0.808 42.868 42.059 0.002 0.000 1.223 174 L HN 0.153 nan 8.230 nan 0.000 0.456 175 R N 1.571 121.959 120.500 -0.187 0.000 2.500 175 R HA 0.249 4.588 4.340 -0.001 0.000 0.277 175 R C -1.612 174.656 176.300 -0.053 0.000 1.026 175 R CA -1.554 54.356 56.100 -0.318 0.000 1.058 175 R CB 0.675 30.810 30.300 -0.276 0.000 1.078 175 R HN 0.314 nan 8.270 nan 0.000 0.509 176 P HA -0.190 nan 4.420 nan 0.000 0.216 176 P C 0.563 177.843 177.300 -0.032 0.000 1.150 176 P CA 1.320 64.328 63.100 -0.153 0.000 0.837 176 P CB 0.103 31.647 31.700 -0.259 0.000 0.786 177 D N -0.143 120.231 120.400 -0.044 0.000 2.310 177 D HA -0.182 4.458 4.640 -0.001 0.000 0.212 177 D C 0.961 177.275 176.300 0.024 0.000 0.965 177 D CA 0.933 54.925 54.000 -0.014 0.000 0.879 177 D CB -0.300 40.486 40.800 -0.024 0.000 0.921 177 D HN 0.361 nan 8.370 nan 0.000 0.510 178 Q N -1.929 117.898 119.800 0.046 0.000 2.135 178 Q HA 0.199 4.539 4.340 -0.001 0.000 0.222 178 Q C 0.716 176.757 176.000 0.068 0.000 0.808 178 Q CA -0.538 55.294 55.803 0.048 0.000 1.049 178 Q CB -0.795 27.958 28.738 0.026 0.000 1.168 178 Q HN 0.168 nan 8.270 nan 0.000 0.483 179 W N 0.837 122.089 121.300 -0.079 0.000 3.077 179 W HA 0.347 5.007 4.660 -0.001 0.000 0.245 179 W C 1.582 178.082 176.519 -0.031 0.000 1.316 179 W CA 0.850 58.142 57.345 -0.090 0.000 1.537 179 W CB 0.351 29.692 29.460 -0.198 0.000 1.131 179 W HN 0.418 nan 8.180 nan 0.000 0.695 180 A N -0.755 122.154 122.820 0.148 0.000 2.067 180 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 180 A C 1.212 178.822 177.584 0.043 0.000 1.156 180 A CA 1.591 53.689 52.037 0.103 0.000 0.683 180 A CB -0.353 18.693 19.000 0.077 0.000 0.808 180 A HN 0.197 nan 8.150 nan 0.000 0.455 181 D N -2.408 117.992 120.400 -0.000 0.000 2.340 181 D HA 0.072 4.712 4.640 -0.001 0.000 0.220 181 D C 1.223 177.429 176.300 -0.156 0.000 1.039 181 D CA 0.154 54.120 54.000 -0.057 0.000 0.866 181 D CB -0.114 40.665 40.800 -0.034 0.000 0.913 181 D HN 0.581 nan 8.370 nan 0.000 0.523 182 Y N 1.298 121.386 120.300 -0.353 0.000 2.109 182 Y HA -0.081 4.469 4.550 -0.001 0.000 0.285 182 Y C 1.883 177.539 175.900 -0.406 0.000 1.131 182 Y CA 1.292 59.071 58.100 -0.534 0.000 1.121 182 Y CB 0.293 38.140 38.460 -1.022 0.000 0.987 182 Y HN -0.250 nan 8.280 nan 0.000 0.495 183 R N 0.460 120.936 120.500 -0.041 0.000 2.307 183 R HA 0.088 4.427 4.340 -0.001 0.000 0.199 183 R C 1.779 178.002 176.300 -0.129 0.000 1.000 183 R CA 0.733 56.798 56.100 -0.059 0.000 1.023 183 R CB -0.702 29.633 30.300 0.058 0.000 0.908 183 R HN 0.449 nan 8.270 nan 0.000 0.473 184 A N 0.637 123.363 122.820 -0.157 0.000 2.235 184 A HA -0.021 4.298 4.320 -0.001 0.000 0.208 184 A C 1.562 178.998 177.584 -0.246 0.000 1.172 184 A CA 0.626 52.572 52.037 -0.151 0.000 0.786 184 A CB -0.055 18.881 19.000 -0.105 0.000 0.804 184 A HN 0.301 nan 8.150 nan 0.000 0.479 185 L N -6.226 114.775 121.223 -0.370 0.000 3.360 185 L HA 0.393 4.733 4.340 -0.001 0.000 0.303 185 L C 1.159 177.768 176.870 -0.434 0.000 1.218 185 L CA 0.506 55.060 54.840 -0.477 0.000 1.059 185 L CB -0.339 41.208 42.059 -0.853 0.000 1.468 185 L HN -0.092 nan 8.230 nan 0.000 0.614 186 T N -0.076 114.257 114.554 -0.369 0.000 2.837 186 T HA 0.629 4.979 4.350 -0.001 0.000 0.242 186 T C 1.262 175.845 174.700 -0.195 0.000 1.044 186 T CA 1.225 63.145 62.100 -0.300 0.000 1.202 186 T CB -0.136 68.554 68.868 -0.296 0.000 0.905 186 T HN 0.599 nan 8.240 nan 0.000 0.413 187 G N 0.317 109.027 108.800 -0.150 0.000 1.742 187 G HA2 0.044 4.004 3.960 -0.001 0.000 0.185 187 G HA3 0.044 4.004 3.960 -0.001 0.000 0.185 187 G C -0.682 174.173 174.900 -0.076 0.000 1.174 187 G CA 0.212 45.245 45.100 -0.112 0.000 1.276 187 G HN 0.565 nan 8.290 nan 0.000 0.424 188 D N -0.089 120.270 120.400 -0.069 0.000 4.556 188 D HA -0.108 4.532 4.640 -0.001 0.000 0.303 188 D C -0.015 176.264 176.300 -0.034 0.000 2.368 188 D CA 1.623 55.594 54.000 -0.048 0.000 1.145 188 D CB -0.408 40.371 40.800 -0.034 0.000 1.097 188 D HN 0.459 nan 8.370 nan 0.000 1.280 189 E N -0.435 119.753 120.200 -0.021 0.000 2.392 189 E HA 0.346 4.695 4.350 -0.001 0.000 0.259 189 E C 0.899 177.499 176.600 0.000 0.000 1.108 189 E CA 0.865 57.264 56.400 -0.000 0.000 0.916 189 E CB 0.519 30.229 29.700 0.016 0.000 0.989 189 E HN 0.444 nan 8.360 nan 0.000 0.432 190 S N -0.345 115.366 115.700 0.018 0.000 2.378 190 S HA -0.292 4.178 4.470 -0.001 0.000 0.240 190 S C 0.037 174.644 174.600 0.013 0.000 1.229 190 S CA 1.764 59.975 58.200 0.019 0.000 1.607 190 S CB -1.162 62.057 63.200 0.032 0.000 2.074 190 S HN 0.742 nan 8.310 nan 0.000 0.620 191 D N 1.087 121.487 120.400 -0.000 0.000 2.256 191 D HA 0.559 5.199 4.640 -0.001 0.000 0.240 191 D C -0.527 175.762 176.300 -0.018 0.000 1.062 191 D CA -0.396 53.600 54.000 -0.005 0.000 0.832 191 D CB 0.646 41.437 40.800 -0.016 0.000 1.135 191 D HN 0.215 nan 8.370 nan 0.000 0.484 192 N N 3.520 122.212 118.700 -0.015 0.000 2.415 192 N HA 0.394 5.134 4.740 -0.001 0.000 0.246 192 N C -1.627 173.852 175.510 -0.051 0.000 1.078 192 N CA -0.334 52.702 53.050 -0.024 0.000 0.942 192 N CB 0.412 38.895 38.487 -0.008 0.000 1.140 192 N HN 0.295 nan 8.380 nan 0.000 0.501 193 L N 5.278 126.456 121.223 -0.075 0.000 2.628 193 L HA 0.525 4.865 4.340 -0.001 0.000 0.258 193 L C -2.813 173.968 176.870 -0.147 0.000 1.027 193 L CA -1.196 53.569 54.840 -0.125 0.000 0.910 193 L CB 1.640 43.616 42.059 -0.138 0.000 1.157 193 L HN 0.455 nan 8.230 nan 0.000 0.452 194 P HA 0.878 nan 4.420 nan 0.000 0.305 194 P C -0.785 176.376 177.300 -0.232 0.000 1.387 194 P CA -0.494 62.532 63.100 -0.124 0.000 0.903 194 P CB 1.950 33.632 31.700 -0.030 0.000 0.979 195 G N 1.248 109.947 108.800 -0.168 0.000 2.194 195 G HA2 0.213 4.173 3.960 -0.001 0.000 0.178 195 G HA3 0.213 4.173 3.960 -0.001 0.000 0.178 195 G C -0.004 174.848 174.900 -0.080 0.000 2.173 195 G CA -0.237 44.778 45.100 -0.142 0.000 1.042 195 G HN 0.404 nan 8.290 nan 0.000 0.588 196 V N -0.095 119.817 119.914 -0.003 0.000 3.359 196 V HA 0.515 4.635 4.120 -0.001 0.000 0.245 196 V C 1.782 177.916 176.094 0.066 0.000 1.247 196 V CA 1.773 64.088 62.300 0.025 0.000 1.145 196 V CB 0.135 31.975 31.823 0.028 0.000 0.906 196 V HN 1.126 nan 8.190 nan 0.000 0.464 197 K N 0.704 121.148 120.400 0.073 0.000 6.935 197 K HA -0.249 4.071 4.320 -0.001 0.000 0.336 197 K C 1.012 177.653 176.600 0.068 0.000 0.625 197 K CA 2.585 58.916 56.287 0.073 0.000 1.145 197 K CB -1.891 30.651 32.500 0.071 0.000 0.792 197 K HN 1.213 nan 8.250 nan 0.000 0.936 198 G N -1.091 107.745 108.800 0.060 0.000 2.419 198 G HA2 0.300 4.260 3.960 -0.001 0.000 0.061 198 G HA3 0.300 4.260 3.960 -0.001 0.000 0.061 198 G C -1.091 173.829 174.900 0.034 0.000 0.907 198 G CA -0.147 44.979 45.100 0.043 0.000 1.174 198 G HN 0.899 nan 8.290 nan 0.000 0.468 199 I N 1.317 121.892 120.570 0.009 0.000 7.815 199 I HA -0.025 4.145 4.170 -0.001 0.000 0.126 199 I C 1.278 177.413 176.117 0.030 0.000 1.845 199 I CA 1.648 62.956 61.300 0.015 0.000 2.040 199 I CB -1.767 36.246 38.000 0.021 0.000 3.716 199 I HN 2.628 nan 8.210 nan 0.000 0.170 200 G N 4.914 113.733 108.800 0.031 0.000 2.149 200 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 200 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 200 G C 0.764 175.714 174.900 0.084 0.000 1.018 200 G CA 1.145 46.321 45.100 0.126 0.000 0.728 200 G HN 1.985 nan 8.290 nan 0.000 0.508 201 E N -2.213 117.948 120.200 -0.063 0.000 3.562 201 E HA -0.399 3.951 4.350 -0.001 0.000 0.298 201 E C 1.465 178.099 176.600 0.056 0.000 0.830 201 E CA 2.224 58.607 56.400 -0.028 0.000 1.013 201 E CB -1.244 28.455 29.700 -0.002 0.000 1.510 201 E HN 0.498 nan 8.360 nan 0.000 0.463 202 K N 0.357 120.802 120.400 0.074 0.000 2.167 202 K HA -0.061 4.259 4.320 -0.001 0.000 0.203 202 K C 1.942 178.598 176.600 0.094 0.000 1.052 202 K CA 1.768 58.111 56.287 0.093 0.000 0.956 202 K CB -0.526 32.035 32.500 0.102 0.000 0.735 202 K HN 0.689 nan 8.250 nan 0.000 0.451 203 T N -1.557 113.049 114.554 0.086 0.000 13.019 203 T HA -0.385 3.964 4.350 -0.001 0.000 0.419 203 T C 1.438 176.200 174.700 0.103 0.000 1.441 203 T CA 3.132 65.286 62.100 0.089 0.000 2.367 203 T CB -1.413 67.509 68.868 0.089 0.000 2.820 203 T HN 0.460 nan 8.240 nan 0.000 0.680 204 A N 0.128 122.991 122.820 0.071 0.000 2.590 204 A HA 0.477 4.797 4.320 -0.001 0.000 0.153 204 A C 1.853 179.410 177.584 -0.044 0.000 1.705 204 A CA 0.844 52.890 52.037 0.016 0.000 1.228 204 A CB -0.036 18.934 19.000 -0.049 0.000 1.463 204 A HN 0.556 nan 8.150 nan 0.000 0.425 205 R N 0.486 120.991 120.500 0.008 0.000 2.127 205 R HA 0.168 4.508 4.340 -0.001 0.000 0.217 205 R C 0.942 177.277 176.300 0.059 0.000 1.074 205 R CA 1.191 57.304 56.100 0.020 0.000 0.991 205 R CB -0.027 30.308 30.300 0.058 0.000 0.895 205 R HN 0.268 nan 8.270 nan 0.000 0.450 206 K N -0.022 120.427 120.400 0.082 0.000 2.438 206 K HA 0.207 4.527 4.320 -0.001 0.000 0.205 206 K C 1.107 177.778 176.600 0.118 0.000 1.033 206 K CA -0.115 56.234 56.287 0.104 0.000 1.089 206 K CB 0.797 33.361 32.500 0.107 0.000 0.857 206 K HN 0.071 nan 8.250 nan 0.000 0.522 207 L N 0.597 121.901 121.223 0.135 0.000 2.316 207 L HA 0.055 4.394 4.340 -0.001 0.000 0.207 207 L C 1.596 178.651 176.870 0.308 0.000 1.070 207 L CA 0.519 55.496 54.840 0.228 0.000 0.820 207 L CB 0.037 42.307 42.059 0.352 0.000 0.992 207 L HN 0.159 nan 8.230 nan 0.000 0.466 208 L N 0.586 121.890 121.223 0.136 0.000 2.166 208 L HA -0.367 3.972 4.340 -0.001 0.000 0.228 208 L C 2.581 179.548 176.870 0.162 0.000 1.101 208 L CA 2.375 57.203 54.840 -0.019 0.000 0.821 208 L CB -0.975 40.933 42.059 -0.251 0.000 0.908 208 L HN 0.476 nan 8.230 nan 0.000 0.447 209 E N -0.460 119.851 120.200 0.186 0.000 2.418 209 E HA -0.179 4.171 4.350 -0.001 0.000 0.197 209 E C 1.456 178.161 176.600 0.174 0.000 1.026 209 E CA 0.924 57.434 56.400 0.182 0.000 0.862 209 E CB -0.240 29.568 29.700 0.179 0.000 0.799 209 E HN 0.606 nan 8.360 nan 0.000 0.518 210 E N 0.090 120.404 120.200 0.191 0.000 2.318 210 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 210 E C 1.277 177.907 176.600 0.050 0.000 0.998 210 E CA 0.291 56.739 56.400 0.079 0.000 0.859 210 E CB -0.236 29.457 29.700 -0.011 0.000 0.812 210 E HN 0.432 nan 8.360 nan 0.000 0.492 211 W N 1.202 122.491 121.300 -0.019 0.000 2.595 211 W HA 0.078 4.737 4.660 -0.001 0.000 0.257 211 W C 2.228 178.736 176.519 -0.019 0.000 1.267 211 W CA 0.831 58.158 57.345 -0.030 0.000 1.300 211 W CB -0.550 28.872 29.460 -0.063 0.000 1.120 211 W HN 0.103 nan 8.180 nan 0.000 0.618 212 G N -0.266 108.651 108.800 0.195 0.000 2.432 212 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.219 212 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.219 212 G C 0.730 175.684 174.900 0.089 0.000 1.135 212 G CA 0.518 45.691 45.100 0.122 0.000 0.767 212 G HN 0.070 nan 8.290 nan 0.000 0.550 213 S N 0.681 116.422 115.700 0.069 0.000 2.411 213 S HA 0.406 4.876 4.470 -0.001 0.000 0.304 213 S C -0.241 174.373 174.600 0.022 0.000 1.098 213 S CA -0.480 57.743 58.200 0.039 0.000 1.068 213 S CB 0.745 63.959 63.200 0.023 0.000 1.032 213 S HN 0.542 nan 8.310 nan 0.000 0.511 214 L N 3.156 124.398 121.223 0.033 0.000 3.052 214 L HA -0.162 4.178 4.340 -0.001 0.000 0.652 214 L C 1.058 177.955 176.870 0.045 0.000 1.019 214 L CA 0.206 55.062 54.840 0.027 0.000 1.317 214 L CB -0.662 41.399 42.059 0.003 0.000 1.728 214 L HN 0.641 nan 8.230 nan 0.000 0.839 215 E N 3.251 123.497 120.200 0.077 0.000 2.108 215 E HA -0.318 4.031 4.350 -0.001 0.000 0.203 215 E C 1.864 178.558 176.600 0.158 0.000 1.022 215 E CA 2.246 58.725 56.400 0.131 0.000 0.823 215 E CB -0.145 29.616 29.700 0.101 0.000 0.744 215 E HN 1.239 nan 8.360 nan 0.000 0.456 216 A N -0.183 122.690 122.820 0.088 0.000 1.710 216 A HA -0.351 3.968 4.320 -0.001 0.000 0.225 216 A C 1.846 179.488 177.584 0.097 0.000 0.527 216 A CA 2.122 54.201 52.037 0.071 0.000 1.123 216 A CB -2.215 16.804 19.000 0.032 0.000 1.445 216 A HN 0.345 nan 8.150 nan 0.000 0.714 217 L N -2.070 119.244 121.223 0.152 0.000 2.109 217 L HA 0.464 4.804 4.340 -0.001 0.000 0.207 217 L C 0.896 177.805 176.870 0.066 0.000 1.086 217 L CA 1.421 56.329 54.840 0.112 0.000 0.760 217 L CB -0.176 41.953 42.059 0.116 0.000 0.910 217 L HN 0.472 nan 8.230 nan 0.000 0.437 218 L N 1.976 123.240 121.223 0.069 0.000 2.353 218 L HA 0.454 4.794 4.340 -0.001 0.000 0.270 218 L C -0.972 175.928 176.870 0.051 0.000 1.003 218 L CA -0.691 54.181 54.840 0.054 0.000 0.862 218 L CB 1.206 43.297 42.059 0.052 0.000 1.221 218 L HN 0.232 nan 8.230 nan 0.000 0.430 219 K N 3.774 124.199 120.400 0.043 0.000 6.900 219 K HA -0.186 4.134 4.320 -0.001 0.000 0.714 219 K C -0.245 176.375 176.600 0.033 0.000 2.527 219 K CA 0.152 56.461 56.287 0.036 0.000 1.868 219 K CB -0.364 32.157 32.500 0.035 0.000 2.325 219 K HN 0.912 nan 8.250 nan 0.000 0.231 220 N N 0.550 119.265 118.700 0.026 0.000 6.535 220 N HA -0.213 4.526 4.740 -0.001 0.000 0.409 220 N C -0.987 174.534 175.510 0.017 0.000 0.975 220 N CA 0.965 54.027 53.050 0.020 0.000 1.813 220 N CB -0.033 38.465 38.487 0.019 0.000 0.751 220 N HN 0.738 nan 8.380 nan 0.000 0.467 221 L N 0.341 121.569 121.223 0.009 0.000 0.616 221 L HA -0.225 4.115 4.340 -0.001 0.000 0.357 221 L C 0.251 177.122 176.870 0.000 0.000 1.004 221 L CA 1.697 56.537 54.840 0.000 0.000 1.223 221 L CB -0.482 41.574 42.059 -0.006 0.000 0.132 221 L HN 1.100 nan 8.230 nan 0.000 0.117 222 D N 2.423 122.819 120.400 -0.006 0.000 2.871 222 D HA 0.288 4.928 4.640 -0.001 0.000 0.291 222 D C 0.305 176.598 176.300 -0.010 0.000 1.150 222 D CA 0.287 54.285 54.000 -0.004 0.000 0.999 222 D CB 0.603 41.401 40.800 -0.002 0.000 1.452 222 D HN 0.547 nan 8.370 nan 0.000 0.465 223 R N 0.449 120.940 120.500 -0.016 0.000 2.514 223 R HA 0.688 5.027 4.340 -0.001 0.000 0.301 223 R C -1.368 174.911 176.300 -0.035 0.000 0.962 223 R CA -0.724 55.364 56.100 -0.021 0.000 0.882 223 R CB 2.245 32.536 30.300 -0.016 0.000 1.143 223 R HN 0.108 nan 8.270 nan 0.000 0.452 224 L N 0.323 121.520 121.223 -0.044 0.000 3.041 224 L HA 0.312 4.651 4.340 -0.001 0.000 0.278 224 L C -1.266 175.567 176.870 -0.061 0.000 1.051 224 L CA -0.841 53.960 54.840 -0.065 0.000 0.957 224 L CB 1.631 43.628 42.059 -0.103 0.000 1.538 224 L HN 0.348 nan 8.230 nan 0.000 0.393 225 K N 1.422 121.777 120.400 -0.075 0.000 2.336 225 K HA 0.296 4.616 4.320 -0.001 0.000 0.262 225 K C -2.348 174.217 176.600 -0.058 0.000 0.992 225 K CA -1.230 55.021 56.287 -0.059 0.000 0.927 225 K CB 0.052 32.514 32.500 -0.063 0.000 0.956 225 K HN 0.353 nan 8.250 nan 0.000 0.495 226 P HA -0.011 nan 4.420 nan 0.000 0.272 226 P C 0.002 177.295 177.300 -0.011 0.000 1.223 226 P CA 0.703 63.795 63.100 -0.012 0.000 0.784 226 P CB 0.623 32.325 31.700 0.004 0.000 0.923 227 A N 1.698 124.529 122.820 0.018 0.000 4.152 227 A HA -0.257 4.063 4.320 -0.001 0.000 0.256 227 A C 1.243 178.866 177.584 0.065 0.000 0.844 227 A CA 1.825 53.895 52.037 0.054 0.000 1.324 227 A CB -2.775 16.257 19.000 0.055 0.000 1.032 227 A HN 0.500 nan 8.150 nan 0.000 0.773 228 I N -2.245 118.279 120.570 -0.076 0.000 3.941 228 I HA 0.189 4.358 4.170 -0.001 0.000 0.321 228 I C 2.101 178.032 176.117 -0.309 0.000 1.284 228 I CA 0.917 62.002 61.300 -0.358 0.000 1.226 228 I CB 0.113 37.796 38.000 -0.528 0.000 1.045 228 I HN 0.381 nan 8.210 nan 0.000 0.420 229 R N 0.285 120.728 120.500 -0.094 0.000 2.637 229 R HA 0.106 4.445 4.340 -0.001 0.000 0.262 229 R C 1.563 177.881 176.300 0.030 0.000 0.959 229 R CA 0.232 56.314 56.100 -0.029 0.000 1.061 229 R CB 0.610 30.872 30.300 -0.063 0.000 1.610 229 R HN 0.187 nan 8.270 nan 0.000 0.548 230 E N 0.688 120.909 120.200 0.034 0.000 2.106 230 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 230 E C 0.858 177.509 176.600 0.086 0.000 0.984 230 E CA 0.841 57.270 56.400 0.048 0.000 0.806 230 E CB 0.378 30.102 29.700 0.041 0.000 0.750 230 E HN -0.073 nan 8.360 nan 0.000 0.458 231 K N 0.252 120.724 120.400 0.121 0.000 2.487 231 K HA 0.042 4.362 4.320 -0.001 0.000 0.192 231 K C 1.649 178.345 176.600 0.161 0.000 1.027 231 K CA 0.256 56.643 56.287 0.167 0.000 1.054 231 K CB 0.255 32.834 32.500 0.132 0.000 0.824 231 K HN 0.318 nan 8.250 nan 0.000 0.510 232 I N 0.336 120.984 120.570 0.130 0.000 2.385 232 I HA -0.176 3.994 4.170 -0.001 0.000 0.244 232 I C 1.620 177.783 176.117 0.077 0.000 1.089 232 I CA 0.550 61.911 61.300 0.102 0.000 1.410 232 I CB -0.233 37.834 38.000 0.112 0.000 1.117 232 I HN -0.030 nan 8.210 nan 0.000 0.429 233 L N 0.053 121.312 121.223 0.061 0.000 2.395 233 L HA 0.257 4.597 4.340 -0.001 0.000 0.218 233 L C 2.280 179.162 176.870 0.021 0.000 1.130 233 L CA 1.290 56.150 54.840 0.033 0.000 0.826 233 L CB -1.497 40.575 42.059 0.021 0.000 0.941 233 L HN 0.053 nan 8.230 nan 0.000 0.451 234 A N -0.971 121.872 122.820 0.038 0.000 1.903 234 A HA 0.027 4.346 4.320 -0.001 0.000 0.213 234 A C 0.518 178.043 177.584 -0.098 0.000 1.185 234 A CA 0.420 52.443 52.037 -0.023 0.000 0.628 234 A CB -0.820 18.177 19.000 -0.004 0.000 0.830 234 A HN 0.531 nan 8.150 nan 0.000 0.446 235 H N 0.714 119.775 119.070 -0.015 0.000 2.820 235 H HA 0.453 5.008 4.556 -0.001 0.000 0.278 235 H C 0.137 175.440 175.328 -0.043 0.000 1.142 235 H CA -0.086 55.945 56.048 -0.028 0.000 1.346 235 H CB 0.236 29.980 29.762 -0.030 0.000 1.438 235 H HN 0.523 nan 8.280 nan 0.000 0.473 236 M N 0.249 119.855 119.600 0.010 0.000 2.264 236 M HA 0.368 4.847 4.480 -0.001 0.000 0.352 236 M C -0.273 176.011 176.300 -0.027 0.000 1.173 236 M CA -0.542 54.747 55.300 -0.017 0.000 1.075 236 M CB 1.502 34.083 32.600 -0.032 0.000 1.621 236 M HN 0.499 nan 8.290 nan 0.000 0.457 237 D N -0.476 119.885 120.400 -0.064 0.000 3.059 237 D HA -0.217 4.423 4.640 -0.001 0.000 0.213 237 D C 0.228 176.472 176.300 -0.094 0.000 1.144 237 D CA 1.798 55.743 54.000 -0.093 0.000 0.975 237 D CB -0.864 39.901 40.800 -0.059 0.000 1.125 237 D HN 0.954 nan 8.370 nan 0.000 0.412 238 D N -1.080 119.282 120.400 -0.062 0.000 2.262 238 D HA 0.073 4.713 4.640 -0.001 0.000 0.212 238 D C 1.783 178.008 176.300 -0.124 0.000 0.964 238 D CA 0.353 54.322 54.000 -0.051 0.000 0.875 238 D CB 0.220 41.044 40.800 0.040 0.000 0.996 238 D HN 0.098 nan 8.370 nan 0.000 0.497 239 L N 0.417 121.551 121.223 -0.148 0.000 2.341 239 L HA 0.110 4.450 4.340 -0.001 0.000 0.214 239 L C 1.524 178.175 176.870 -0.365 0.000 1.115 239 L CA 1.005 55.727 54.840 -0.196 0.000 0.820 239 L CB -0.501 41.471 42.059 -0.145 0.000 0.944 239 L HN 0.067 nan 8.230 nan 0.000 0.452 240 K N -0.423 119.695 120.400 -0.470 0.000 2.505 240 K HA 0.047 4.367 4.320 -0.001 0.000 0.192 240 K C 1.446 177.479 176.600 -0.944 0.000 1.025 240 K CA 0.037 55.769 56.287 -0.926 0.000 1.086 240 K CB 0.489 32.595 32.500 -0.657 0.000 0.840 240 K HN 0.117 nan 8.250 nan 0.000 0.514 241 L N -0.485 120.459 121.223 -0.465 0.000 2.878 241 L HA 0.180 4.519 4.340 -0.001 0.000 0.253 241 L C 0.704 177.551 176.870 -0.039 0.000 1.135 241 L CA 0.737 55.483 54.840 -0.157 0.000 0.943 241 L CB 0.487 42.506 42.059 -0.068 0.000 1.307 241 L HN -0.049 nan 8.230 nan 0.000 0.545 242 S N 0.485 116.114 115.700 -0.118 0.000 2.593 242 S HA -0.048 4.422 4.470 -0.001 0.000 0.217 242 S C 1.073 175.748 174.600 0.125 0.000 0.966 242 S CA -0.041 58.152 58.200 -0.012 0.000 0.914 242 S CB -0.303 62.853 63.200 -0.074 0.000 0.776 242 S HN 0.658 nan 8.310 nan 0.000 0.523 243 W N 1.739 123.031 121.300 -0.013 0.000 3.377 243 W HA 0.348 5.008 4.660 -0.001 0.000 0.277 243 W C 0.176 176.696 176.519 0.001 0.000 1.311 243 W CA -1.350 55.990 57.345 -0.007 0.000 1.703 243 W CB -1.128 28.331 29.460 -0.002 0.000 1.095 243 W HN 0.134 nan 8.180 nan 0.000 0.715 244 D N 1.069 121.640 120.400 0.284 0.000 2.277 244 D HA -0.061 4.578 4.640 -0.001 0.000 0.208 244 D C 1.981 178.333 176.300 0.086 0.000 0.962 244 D CA 1.047 55.132 54.000 0.140 0.000 0.865 244 D CB 0.107 40.986 40.800 0.130 0.000 0.939 244 D HN 0.316 nan 8.370 nan 0.000 0.510 245 L N 0.559 121.837 121.223 0.091 0.000 2.270 245 L HA 0.036 4.376 4.340 -0.001 0.000 0.210 245 L C 2.407 179.314 176.870 0.062 0.000 1.104 245 L CA 0.537 55.413 54.840 0.059 0.000 0.804 245 L CB -0.169 41.920 42.059 0.050 0.000 0.937 245 L HN -0.100 nan 8.230 nan 0.000 0.450 246 A N -0.703 122.167 122.820 0.083 0.000 2.208 246 A HA -0.015 4.304 4.320 -0.001 0.000 0.209 246 A C 1.378 178.976 177.584 0.023 0.000 1.161 246 A CA 0.332 52.410 52.037 0.068 0.000 0.782 246 A CB -0.206 18.859 19.000 0.109 0.000 0.816 246 A HN 0.159 nan 8.150 nan 0.000 0.477 247 K N 1.210 121.614 120.400 0.006 0.000 2.737 247 K HA 0.200 4.519 4.320 -0.001 0.000 0.251 247 K C -0.281 176.311 176.600 -0.013 0.000 1.280 247 K CA 0.054 56.320 56.287 -0.034 0.000 1.219 247 K CB -0.264 32.204 32.500 -0.053 0.000 1.587 247 K HN 0.324 nan 8.250 nan 0.000 0.279 248 V N -0.437 119.471 119.914 -0.011 0.000 2.666 248 V HA 0.202 4.322 4.120 -0.001 0.000 0.306 248 V C 0.053 176.133 176.094 -0.024 0.000 1.156 248 V CA -1.187 61.108 62.300 -0.008 0.000 1.274 248 V CB -0.492 31.334 31.823 0.005 0.000 1.536 248 V HN 0.384 nan 8.190 nan 0.000 0.640 249 R N -0.172 120.303 120.500 -0.042 0.000 2.570 249 R HA 0.287 4.626 4.340 -0.001 0.000 0.277 249 R C 0.884 177.148 176.300 -0.061 0.000 1.039 249 R CA 0.596 56.662 56.100 -0.056 0.000 1.065 249 R CB 0.232 30.486 30.300 -0.077 0.000 0.964 249 R HN 0.556 nan 8.270 nan 0.000 0.428 250 T N -2.723 111.798 114.554 -0.055 0.000 3.086 250 T HA -0.018 4.332 4.350 -0.001 0.000 0.250 250 T C 0.113 174.775 174.700 -0.062 0.000 1.074 250 T CA -0.267 61.802 62.100 -0.051 0.000 0.988 250 T CB -0.148 68.698 68.868 -0.037 0.000 0.988 250 T HN 0.781 nan 8.240 nan 0.000 0.530 251 D N 1.951 122.301 120.400 -0.082 0.000 2.590 251 D HA 0.253 4.893 4.640 -0.001 0.000 0.280 251 D C -0.540 175.672 176.300 -0.146 0.000 1.197 251 D CA -0.577 53.368 54.000 -0.092 0.000 0.967 251 D CB 0.548 41.305 40.800 -0.072 0.000 0.987 251 D HN 0.168 nan 8.370 nan 0.000 0.508 252 L N 2.056 123.176 121.223 -0.172 0.000 2.329 252 L HA 0.410 4.750 4.340 -0.001 0.000 0.279 252 L C -2.206 174.551 176.870 -0.188 0.000 1.014 252 L CA -1.946 52.726 54.840 -0.281 0.000 0.814 252 L CB 1.523 43.362 42.059 -0.365 0.000 1.257 252 L HN 0.107 nan 8.230 nan 0.000 0.424 253 P HA 0.319 nan 4.420 nan 0.000 0.271 253 P C -1.253 176.019 177.300 -0.046 0.000 1.380 253 P CA -0.249 62.805 63.100 -0.077 0.000 0.992 253 P CB 0.232 31.911 31.700 -0.035 0.000 1.230 254 L N 0.371 121.566 121.223 -0.046 0.000 2.493 254 L HA 0.595 4.935 4.340 -0.001 0.000 0.265 254 L C 0.654 177.499 176.870 -0.042 0.000 0.954 254 L CA -0.910 53.905 54.840 -0.040 0.000 0.844 254 L CB 1.641 43.669 42.059 -0.051 0.000 1.302 254 L HN -0.064 nan 8.230 nan 0.000 0.405 255 E N 2.182 122.352 120.200 -0.050 0.000 2.046 255 E HA 0.260 4.609 4.350 -0.001 0.000 0.199 255 E C -0.006 176.529 176.600 -0.108 0.000 0.948 255 E CA 1.206 57.575 56.400 -0.053 0.000 0.876 255 E CB 0.258 29.933 29.700 -0.042 0.000 0.901 255 E HN 0.739 nan 8.360 nan 0.000 0.479 256 V N 2.143 121.968 119.914 -0.149 0.000 3.745 256 V HA -0.258 3.862 4.120 -0.001 0.000 0.517 256 V C -1.410 174.456 176.094 -0.380 0.000 0.682 256 V CA 1.154 63.297 62.300 -0.262 0.000 2.056 256 V CB -0.493 31.136 31.823 -0.324 0.000 2.462 256 V HN 0.487 nan 8.190 nan 0.000 0.513 257 D N 7.600 127.832 120.400 -0.281 0.000 2.256 257 D HA 0.527 5.167 4.640 -0.001 0.000 0.250 257 D C -0.315 175.812 176.300 -0.289 0.000 1.093 257 D CA -0.072 53.808 54.000 -0.201 0.000 0.882 257 D CB 0.647 41.411 40.800 -0.061 0.000 1.185 257 D HN 0.434 nan 8.370 nan 0.000 0.437 258 F N 1.979 121.907 119.950 -0.037 0.000 2.404 258 F HA 0.465 4.992 4.527 -0.001 0.000 0.359 258 F C 0.786 176.534 175.800 -0.087 0.000 1.134 258 F CA -0.515 57.420 58.000 -0.108 0.000 1.160 258 F CB 0.531 39.383 39.000 -0.246 0.000 1.186 258 F HN 0.250 nan 8.300 nan 0.000 0.526 259 A N 4.116 126.966 122.820 0.050 0.000 2.346 259 A HA 0.693 5.013 4.320 -0.001 0.000 0.313 259 A C -0.192 177.401 177.584 0.014 0.000 1.140 259 A CA -1.012 51.041 52.037 0.027 0.000 0.826 259 A CB 1.179 20.181 19.000 0.002 0.000 1.332 259 A HN 0.657 nan 8.150 nan 0.000 0.457 260 K N -0.008 120.399 120.400 0.011 0.000 2.140 260 K HA 0.272 4.592 4.320 -0.001 0.000 0.237 260 K C 0.372 176.973 176.600 0.002 0.000 1.045 260 K CA -0.433 55.856 56.287 0.004 0.000 0.896 260 K CB 0.400 32.905 32.500 0.007 0.000 1.122 260 K HN 0.662 nan 8.250 nan 0.000 0.503 261 R N 0.976 121.476 120.500 0.001 0.000 2.590 261 R HA 0.014 4.353 4.340 -0.001 0.000 0.274 261 R C -0.215 176.086 176.300 0.001 0.000 1.061 261 R CA 0.282 56.383 56.100 0.002 0.000 1.081 261 R CB 0.501 30.802 30.300 0.002 0.000 0.984 261 R HN 0.372 nan 8.270 nan 0.000 0.448 262 R N 1.223 121.725 120.500 0.003 0.000 2.541 262 R HA 0.144 4.484 4.340 -0.001 0.000 0.254 262 R C -0.456 175.845 176.300 0.002 0.000 1.130 262 R CA -0.529 55.572 56.100 0.002 0.000 1.152 262 R CB 0.360 30.662 30.300 0.003 0.000 1.222 262 R HN 0.572 nan 8.270 nan 0.000 0.579 263 E N 2.446 122.647 120.200 0.002 0.000 2.316 263 E HA 0.118 4.468 4.350 -0.001 0.000 0.275 263 E C -1.918 174.683 176.600 0.003 0.000 1.029 263 E CA -1.653 54.747 56.400 0.000 0.000 0.871 263 E CB 0.593 30.294 29.700 0.002 0.000 1.022 263 E HN 0.267 nan 8.360 nan 0.000 0.418 264 P HA 0.102 nan 4.420 nan 0.000 0.292 264 P C -1.052 176.253 177.300 0.008 0.000 1.287 264 P CA -0.266 62.835 63.100 0.003 0.000 0.800 264 P CB 0.929 32.622 31.700 -0.012 0.000 0.945 265 D N 3.499 123.910 120.400 0.019 0.000 2.468 265 D HA 0.078 4.718 4.640 -0.001 0.000 0.218 265 D C 0.771 177.094 176.300 0.039 0.000 1.155 265 D CA -0.243 53.774 54.000 0.028 0.000 0.924 265 D CB 0.506 41.325 40.800 0.031 0.000 1.029 265 D HN 0.240 nan 8.370 nan 0.000 0.515 266 R N 1.812 122.331 120.500 0.032 0.000 2.299 266 R HA 0.005 4.345 4.340 -0.001 0.000 0.197 266 R C 1.457 177.793 176.300 0.060 0.000 0.971 266 R CA 0.415 56.539 56.100 0.040 0.000 1.030 266 R CB 0.506 30.814 30.300 0.015 0.000 0.932 266 R HN 0.487 nan 8.270 nan 0.000 0.477 267 E N 0.499 120.736 120.200 0.061 0.000 2.152 267 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 267 E C 1.621 178.282 176.600 0.103 0.000 0.983 267 E CA 0.840 57.283 56.400 0.070 0.000 0.818 267 E CB 0.210 29.946 29.700 0.059 0.000 0.758 267 E HN 0.274 nan 8.360 nan 0.000 0.467 268 R N -0.095 120.481 120.500 0.127 0.000 2.254 268 R HA 0.179 4.519 4.340 -0.001 0.000 0.193 268 R C 2.273 178.726 176.300 0.255 0.000 0.929 268 R CA -0.111 56.117 56.100 0.212 0.000 1.038 268 R CB 0.105 30.538 30.300 0.221 0.000 1.009 268 R HN 0.081 nan 8.270 nan 0.000 0.512 269 L N 1.739 123.057 121.223 0.159 0.000 2.042 269 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 269 L C 2.479 179.472 176.870 0.204 0.000 1.076 269 L CA 1.661 56.595 54.840 0.156 0.000 0.749 269 L CB -0.110 42.022 42.059 0.121 0.000 0.893 269 L HN 0.210 nan 8.230 nan 0.000 0.432 270 R N -0.957 119.650 120.500 0.178 0.000 2.246 270 R HA 0.091 4.431 4.340 -0.001 0.000 0.199 270 R C 1.977 178.377 176.300 0.167 0.000 0.984 270 R CA 0.791 56.991 56.100 0.167 0.000 1.015 270 R CB -0.352 30.024 30.300 0.127 0.000 0.930 270 R HN 0.211 nan 8.270 nan 0.000 0.475 271 A N 1.064 123.997 122.820 0.189 0.000 1.929 271 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 271 A C 1.581 179.216 177.584 0.086 0.000 1.176 271 A CA 0.660 52.770 52.037 0.122 0.000 0.628 271 A CB -0.419 18.646 19.000 0.109 0.000 0.816 271 A HN 0.267 nan 8.150 nan 0.000 0.444 272 F N -0.244 119.747 119.950 0.068 0.000 2.293 272 F HA 0.100 4.627 4.527 -0.001 0.000 0.297 272 F C 1.925 177.780 175.800 0.091 0.000 1.089 272 F CA 0.868 58.910 58.000 0.069 0.000 1.377 272 F CB -0.169 38.867 39.000 0.060 0.000 1.051 272 F HN 0.064 nan 8.300 nan 0.000 0.511 273 L N -0.554 120.848 121.223 0.297 0.000 2.313 273 L HA -0.086 4.254 4.340 -0.001 0.000 0.214 273 L C 2.166 179.148 176.870 0.187 0.000 1.119 273 L CA 0.731 55.727 54.840 0.259 0.000 0.809 273 L CB -0.393 41.829 42.059 0.271 0.000 0.933 273 L HN 0.059 nan 8.230 nan 0.000 0.449 274 E N 0.373 120.650 120.200 0.128 0.000 2.216 274 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 274 E C 2.072 178.690 176.600 0.029 0.000 0.988 274 E CA 0.616 57.058 56.400 0.070 0.000 0.834 274 E CB 0.121 29.854 29.700 0.054 0.000 0.772 274 E HN 0.457 nan 8.360 nan 0.000 0.479 275 R N 0.082 120.598 120.500 0.027 0.000 2.276 275 R HA 0.102 4.442 4.340 -0.001 0.000 0.203 275 R C 1.837 178.147 176.300 0.017 0.000 1.017 275 R CA 0.298 56.397 56.100 -0.001 0.000 1.010 275 R CB 0.159 30.437 30.300 -0.037 0.000 0.900 275 R HN 0.102 nan 8.270 nan 0.000 0.469 276 L N -0.146 121.110 121.223 0.056 0.000 2.640 276 L HA 0.146 4.486 4.340 -0.001 0.000 0.230 276 L C 0.073 176.860 176.870 -0.138 0.000 1.123 276 L CA 0.148 55.028 54.840 0.067 0.000 0.900 276 L CB 0.189 42.395 42.059 0.244 0.000 1.146 276 L HN 0.143 nan 8.230 nan 0.000 0.484 277 E N -1.152 118.963 120.200 -0.142 0.000 3.286 277 E HA -0.261 4.089 4.350 -0.001 0.000 0.292 277 E C -0.161 176.218 176.600 -0.368 0.000 0.928 277 E CA 0.568 56.805 56.400 -0.272 0.000 0.982 277 E CB -1.251 28.233 29.700 -0.360 0.000 1.500 277 E HN 0.325 nan 8.360 nan 0.000 0.441 278 F N -0.506 119.520 119.950 0.125 0.000 2.855 278 F HA 0.346 4.872 4.527 -0.001 0.000 0.317 278 F C 1.586 177.472 175.800 0.144 0.000 1.169 278 F CA 0.123 58.215 58.000 0.153 0.000 1.299 278 F CB 1.087 40.218 39.000 0.219 0.000 0.962 278 F HN 0.057 nan 8.300 nan 0.000 0.506 279 G N -0.950 107.993 108.800 0.238 0.000 3.448 279 G HA2 0.120 4.080 3.960 -0.001 0.000 0.261 279 G HA3 0.120 4.080 3.960 -0.001 0.000 0.261 279 G C 0.961 175.962 174.900 0.169 0.000 1.173 279 G CA 0.150 45.368 45.100 0.196 0.000 0.835 279 G HN 0.282 nan 8.290 nan 0.000 0.534 280 S N 0.107 115.918 115.700 0.185 0.000 2.520 280 S HA 0.034 4.504 4.470 -0.001 0.000 0.219 280 S C 1.377 176.077 174.600 0.167 0.000 1.028 280 S CA -0.225 58.069 58.200 0.157 0.000 0.921 280 S CB 0.244 63.528 63.200 0.140 0.000 0.844 280 S HN 0.362 nan 8.310 nan 0.000 0.495 281 L N -0.178 121.155 121.223 0.183 0.000 2.672 281 L HA 0.388 4.727 4.340 -0.001 0.000 0.236 281 L C 0.862 177.807 176.870 0.125 0.000 1.186 281 L CA 0.467 55.387 54.840 0.135 0.000 0.977 281 L CB -0.785 41.343 42.059 0.114 0.000 1.203 281 L HN 0.075 nan 8.230 nan 0.000 0.448 282 L N -0.609 120.728 121.223 0.190 0.000 2.592 282 L HA 0.125 4.465 4.340 -0.001 0.000 0.227 282 L C 0.757 177.835 176.870 0.347 0.000 1.127 282 L CA 0.612 55.608 54.840 0.259 0.000 0.884 282 L CB -1.083 41.128 42.059 0.254 0.000 1.065 282 L HN 0.524 nan 8.230 nan 0.000 0.457 283 H N 0.583 119.744 119.070 0.152 0.000 2.595 283 H HA 0.180 4.736 4.556 -0.001 0.000 0.264 283 H C 0.914 176.292 175.328 0.084 0.000 1.503 283 H CA 0.160 56.298 56.048 0.149 0.000 1.142 283 H CB 0.152 29.980 29.762 0.111 0.000 1.554 283 H HN 0.063 nan 8.280 nan 0.000 0.501 284 E N 0.334 120.515 120.200 -0.032 0.000 2.526 284 E HA 0.002 4.352 4.350 -0.001 0.000 0.208 284 E C 0.393 176.809 176.600 -0.306 0.000 0.997 284 E CA 0.071 56.344 56.400 -0.211 0.000 0.961 284 E CB 0.229 29.756 29.700 -0.289 0.000 1.030 284 E HN 0.550 nan 8.360 nan 0.000 0.483 285 F N 1.034 120.902 119.950 -0.137 0.000 2.789 285 F HA 0.166 4.693 4.527 -0.001 0.000 0.300 285 F C 1.680 177.400 175.800 -0.132 0.000 1.132 285 F CA 0.024 57.957 58.000 -0.112 0.000 1.404 285 F CB 0.141 39.093 39.000 -0.079 0.000 1.114 285 F HN -0.119 nan 8.300 nan 0.000 0.584 286 G N 0.612 109.375 108.800 -0.063 0.000 2.572 286 G HA2 0.473 4.433 3.960 -0.001 0.000 0.261 286 G HA3 0.473 4.433 3.960 -0.001 0.000 0.261 286 G C -0.491 174.377 174.900 -0.053 0.000 1.197 286 G CA -0.503 44.542 45.100 -0.091 0.000 0.870 286 G HN 0.018 nan 8.290 nan 0.000 0.548 287 L N -0.538 120.670 121.223 -0.025 0.000 2.358 287 L HA 0.547 4.887 4.340 -0.001 0.000 0.268 287 L C -0.092 176.776 176.870 -0.004 0.000 1.032 287 L CA -0.754 54.079 54.840 -0.012 0.000 0.805 287 L CB 1.604 43.663 42.059 -0.000 0.000 1.253 287 L HN 0.222 nan 8.230 nan 0.000 0.452 288 L N 1.152 122.375 121.223 0.001 0.000 2.346 288 L HA 0.527 4.866 4.340 -0.001 0.000 0.274 288 L C -0.648 176.231 176.870 0.016 0.000 1.007 288 L CA -0.519 54.328 54.840 0.011 0.000 0.818 288 L CB 1.899 43.965 42.059 0.011 0.000 1.284 288 L HN 0.564 nan 8.230 nan 0.000 0.424 289 E N 1.859 122.070 120.200 0.020 0.000 2.256 289 E HA 0.528 4.878 4.350 -0.001 0.000 0.268 289 E C -1.353 175.258 176.600 0.020 0.000 0.877 289 E CA -0.567 55.845 56.400 0.019 0.000 0.757 289 E CB 2.417 32.128 29.700 0.019 0.000 1.183 289 E HN 0.560 nan 8.360 nan 0.000 0.418 290 S N 2.635 118.347 115.700 0.019 0.000 2.653 290 S HA 0.559 5.029 4.470 -0.001 0.000 0.268 290 S C -2.776 171.834 174.600 0.017 0.000 1.153 290 S CA -1.088 57.123 58.200 0.018 0.000 1.036 290 S CB 1.542 64.754 63.200 0.020 0.000 1.103 290 S HN 0.361 nan 8.310 nan 0.000 0.466 291 P HA 0.557 nan 4.420 nan 0.000 0.298 291 P C -0.540 176.764 177.300 0.007 0.000 1.341 291 P CA -0.798 62.308 63.100 0.010 0.000 1.032 291 P CB 2.303 34.007 31.700 0.007 0.000 1.386 292 K N -0.037 120.367 120.400 0.006 0.000 2.444 292 K HA 0.252 4.572 4.320 -0.001 0.000 0.193 292 K C 0.345 176.941 176.600 -0.007 0.000 1.024 292 K CA -0.066 56.222 56.287 0.001 0.000 1.077 292 K CB -0.046 32.456 32.500 0.003 0.000 0.833 292 K HN 0.544 nan 8.250 nan 0.000 0.517 293 A N 1.815 124.632 122.820 -0.005 0.000 2.478 293 A HA 0.399 4.719 4.320 -0.001 0.000 0.327 293 A C -0.777 176.801 177.584 -0.010 0.000 1.431 293 A CA -0.517 51.515 52.037 -0.009 0.000 1.014 293 A CB -0.014 18.982 19.000 -0.007 0.000 1.143 293 A HN 0.132 nan 8.150 nan 0.000 0.532 294 L N 0.938 122.152 121.223 -0.015 0.000 2.298 294 L HA 0.514 4.854 4.340 -0.001 0.000 0.268 294 L C 0.679 177.534 176.870 -0.024 0.000 1.010 294 L CA -0.410 54.421 54.840 -0.015 0.000 0.812 294 L CB 0.995 43.047 42.059 -0.013 0.000 1.331 294 L HN 0.705 nan 8.230 nan 0.000 0.450 295 E N -0.418 119.765 120.200 -0.028 0.000 2.359 295 E HA 0.387 4.737 4.350 -0.001 0.000 0.255 295 E C -0.959 175.599 176.600 -0.069 0.000 1.191 295 E CA -0.600 55.775 56.400 -0.042 0.000 0.952 295 E CB 0.728 30.404 29.700 -0.039 0.000 1.152 295 E HN 0.440 nan 8.360 nan 0.000 0.496 296 E N -0.717 119.430 120.200 -0.088 0.000 2.320 296 E HA 0.719 5.068 4.350 -0.001 0.000 0.264 296 E C -1.313 175.173 176.600 -0.189 0.000 0.923 296 E CA -0.992 55.329 56.400 -0.132 0.000 0.796 296 E CB 2.095 31.738 29.700 -0.096 0.000 1.262 296 E HN 0.454 nan 8.360 nan 0.000 0.428 297 A N 1.308 123.954 122.820 -0.289 0.000 2.601 297 A HA 0.607 4.926 4.320 -0.001 0.000 0.291 297 A C -2.695 174.698 177.584 -0.318 0.000 1.075 297 A CA -1.005 50.826 52.037 -0.344 0.000 0.671 297 A CB 1.350 20.010 19.000 -0.568 0.000 1.277 297 A HN 0.414 nan 8.150 nan 0.000 0.417 298 P HA 0.301 nan 4.420 nan 0.000 0.341 298 P C 0.088 177.367 177.300 -0.036 0.000 1.368 298 P CA 0.096 63.161 63.100 -0.059 0.000 0.835 298 P CB 0.470 32.196 31.700 0.044 0.000 2.010 299 W N -0.654 120.683 121.300 0.062 0.000 3.197 299 W HA 0.178 4.838 4.660 -0.001 0.000 0.274 299 W C -1.274 175.300 176.519 0.093 0.000 1.297 299 W CA -0.149 57.253 57.345 0.096 0.000 1.662 299 W CB -1.458 28.032 29.460 0.050 0.000 1.106 299 W HN 0.196 nan 8.180 nan 0.000 0.663 300 P HA 0.009 nan 4.420 nan 0.000 0.262 300 P C -2.271 175.120 177.300 0.152 0.000 1.199 300 P CA -0.278 62.926 63.100 0.174 0.000 0.763 300 P CB -0.013 31.755 31.700 0.113 0.000 0.790 301 P HA -0.156 nan 4.420 nan 0.000 0.136 301 P C -2.196 175.102 177.300 -0.002 0.000 0.937 301 P CA 0.446 63.587 63.100 0.067 0.000 0.951 301 P CB -0.859 30.870 31.700 0.047 0.000 1.428 302 P HA 0.203 nan 4.420 nan 0.000 0.307 302 P C -0.378 176.807 177.300 -0.191 0.000 1.796 302 P CA -0.075 62.868 63.100 -0.262 0.000 1.349 302 P CB 0.631 32.068 31.700 -0.438 0.000 1.807 303 E N 0.634 120.764 120.200 -0.116 0.000 2.290 303 E HA 0.384 4.734 4.350 -0.001 0.000 0.277 303 E C 0.851 177.356 176.600 -0.157 0.000 1.035 303 E CA 0.054 56.387 56.400 -0.111 0.000 0.873 303 E CB 0.096 29.756 29.700 -0.068 0.000 1.029 303 E HN 0.328 nan 8.360 nan 0.000 0.419 304 G N 2.252 110.929 108.800 -0.206 0.000 2.149 304 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.235 304 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.235 304 G C 0.202 174.855 174.900 -0.412 0.000 1.018 304 G CA 0.005 44.931 45.100 -0.290 0.000 0.728 304 G HN 0.709 nan 8.290 nan 0.000 0.508 305 A N -0.673 121.920 122.820 -0.379 0.000 2.264 305 A HA 0.848 5.167 4.320 -0.001 0.000 0.304 305 A C -0.222 177.068 177.584 -0.490 0.000 1.100 305 A CA -0.554 51.262 52.037 -0.369 0.000 0.839 305 A CB 0.628 19.439 19.000 -0.315 0.000 1.121 305 A HN 0.666 nan 8.150 nan 0.000 0.496 306 F N 1.108 120.972 119.950 -0.144 0.000 2.350 306 F HA 0.400 4.927 4.527 -0.001 0.000 0.365 306 F C 0.759 176.524 175.800 -0.060 0.000 1.122 306 F CA -0.347 57.592 58.000 -0.102 0.000 1.139 306 F CB 1.090 40.037 39.000 -0.088 0.000 1.220 306 F HN 0.461 nan 8.300 nan 0.000 0.499 307 V N 0.941 120.902 119.914 0.077 0.000 3.083 307 V HA 0.969 5.089 4.120 -0.001 0.000 0.306 307 V C 0.239 176.431 176.094 0.163 0.000 1.077 307 V CA -0.517 61.834 62.300 0.084 0.000 1.073 307 V CB 1.169 33.021 31.823 0.047 0.000 1.081 307 V HN 0.808 nan 8.190 nan 0.000 0.474 308 G N 1.793 110.690 108.800 0.161 0.000 2.746 308 G HA2 0.739 4.699 3.960 -0.001 0.000 0.297 308 G HA3 0.739 4.699 3.960 -0.001 0.000 0.297 308 G C -1.455 173.573 174.900 0.213 0.000 1.426 308 G CA -0.559 44.623 45.100 0.136 0.000 0.989 308 G HN 1.406 nan 8.290 nan 0.000 0.520 309 F N -0.080 119.842 119.950 -0.048 0.000 2.613 309 F HA 0.856 5.382 4.527 -0.001 0.000 0.314 309 F C -1.045 174.722 175.800 -0.055 0.000 1.075 309 F CA -1.812 56.160 58.000 -0.046 0.000 0.945 309 F CB 1.650 40.636 39.000 -0.024 0.000 1.310 309 F HN 0.397 nan 8.300 nan 0.000 0.467 310 V N 3.145 123.112 119.914 0.089 0.000 2.495 310 V HA 0.610 4.730 4.120 -0.001 0.000 0.298 310 V C -0.272 175.885 176.094 0.105 0.000 1.031 310 V CA -0.670 61.632 62.300 0.002 0.000 0.871 310 V CB 1.476 33.288 31.823 -0.019 0.000 0.988 310 V HN 0.794 nan 8.190 nan 0.000 0.432 311 L N 2.561 123.838 121.223 0.091 0.000 2.279 311 L HA 0.496 4.835 4.340 -0.001 0.000 0.262 311 L C 1.320 178.242 176.870 0.087 0.000 1.019 311 L CA -0.445 54.472 54.840 0.129 0.000 0.823 311 L CB 2.483 44.654 42.059 0.187 0.000 1.358 311 L HN 0.761 nan 8.230 nan 0.000 0.432 312 S N 0.051 115.809 115.700 0.097 0.000 2.425 312 S HA 0.080 4.549 4.470 -0.001 0.000 0.225 312 S C 0.560 175.201 174.600 0.067 0.000 1.024 312 S CA -0.123 58.124 58.200 0.078 0.000 0.951 312 S CB 0.097 63.351 63.200 0.091 0.000 0.796 312 S HN 0.741 nan 8.310 nan 0.000 0.498 313 R N 0.500 121.050 120.500 0.083 0.000 2.799 313 R HA 0.488 4.827 4.340 -0.001 0.000 0.270 313 R C 0.030 176.379 176.300 0.081 0.000 1.010 313 R CA -0.986 55.151 56.100 0.062 0.000 0.916 313 R CB 0.766 31.092 30.300 0.044 0.000 1.228 313 R HN 0.071 nan 8.270 nan 0.000 0.469 314 K N -0.080 120.354 120.400 0.058 0.000 2.442 314 K HA 0.013 4.333 4.320 -0.001 0.000 0.198 314 K C -0.555 176.097 176.600 0.087 0.000 1.042 314 K CA 0.917 57.245 56.287 0.068 0.000 0.958 314 K CB 0.020 32.542 32.500 0.036 0.000 0.766 314 K HN 0.405 nan 8.250 nan 0.000 0.474 315 E N 1.641 121.896 120.200 0.092 0.000 2.167 315 E HA 0.137 4.486 4.350 -0.001 0.000 0.284 315 E C -2.046 174.664 176.600 0.183 0.000 1.016 315 E CA -2.550 53.927 56.400 0.129 0.000 0.817 315 E CB 1.648 31.419 29.700 0.119 0.000 1.080 315 E HN -0.070 nan 8.360 nan 0.000 0.397 316 P HA -0.130 nan 4.420 nan 0.000 0.217 316 P C 1.106 178.485 177.300 0.132 0.000 1.150 316 P CA 1.011 64.195 63.100 0.139 0.000 0.832 316 P CB 0.230 31.980 31.700 0.084 0.000 0.787 317 M N -2.666 117.024 119.600 0.150 0.000 2.159 317 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 317 M C 1.496 177.956 176.300 0.267 0.000 1.063 317 M CA 1.661 57.009 55.300 0.080 0.000 1.110 317 M CB -1.545 31.021 32.600 -0.056 0.000 1.374 317 M HN 0.091 nan 8.290 nan 0.000 0.411 318 W N 0.039 121.465 121.300 0.210 0.000 2.872 318 W HA 0.398 5.058 4.660 -0.000 0.000 0.266 318 W C 1.200 177.792 176.519 0.122 0.000 1.276 318 W CA -0.020 57.433 57.345 0.181 0.000 1.471 318 W CB -0.527 28.973 29.460 0.066 0.000 1.071 318 W HN 0.017 nan 8.180 nan 0.000 0.619 319 A N 1.010 124.025 122.820 0.325 0.000 2.425 319 A HA 0.179 4.499 4.320 -0.001 0.000 0.242 319 A C -0.624 177.077 177.584 0.196 0.000 1.077 319 A CA 0.177 52.348 52.037 0.223 0.000 0.781 319 A CB -0.046 19.066 19.000 0.187 0.000 1.020 319 A HN 0.157 nan 8.150 nan 0.000 0.494 320 D N 0.131 120.636 120.400 0.175 0.000 2.192 320 D HA 0.445 5.084 4.640 -0.001 0.000 0.246 320 D C -0.782 175.580 176.300 0.104 0.000 1.042 320 D CA -0.437 53.678 54.000 0.192 0.000 0.847 320 D CB 0.888 41.803 40.800 0.193 0.000 1.186 320 D HN 0.315 nan 8.370 nan 0.000 0.461 321 L N 5.026 126.235 121.223 -0.023 0.000 2.315 321 L HA 0.245 4.585 4.340 -0.001 0.000 0.283 321 L C 0.220 177.060 176.870 -0.051 0.000 1.089 321 L CA 0.363 55.130 54.840 -0.121 0.000 0.833 321 L CB 0.579 42.397 42.059 -0.402 0.000 1.170 321 L HN 0.690 nan 8.230 nan 0.000 0.442 322 L N 4.400 125.634 121.223 0.017 0.000 2.168 322 L HA 0.377 4.717 4.340 -0.001 0.000 0.203 322 L C 0.739 177.623 176.870 0.023 0.000 1.078 322 L CA 0.558 55.417 54.840 0.033 0.000 0.780 322 L CB -0.231 41.850 42.059 0.038 0.000 0.939 322 L HN 0.734 nan 8.230 nan 0.000 0.451 323 A N -0.185 122.649 122.820 0.024 0.000 2.572 323 A HA 0.712 5.032 4.320 -0.001 0.000 0.295 323 A C -1.866 175.748 177.584 0.049 0.000 1.072 323 A CA -0.319 51.735 52.037 0.029 0.000 0.691 323 A CB 2.161 21.169 19.000 0.014 0.000 1.291 323 A HN -0.036 nan 8.150 nan 0.000 0.404 324 L N 0.549 121.806 121.223 0.057 0.000 2.482 324 L HA 0.908 5.248 4.340 -0.001 0.000 0.263 324 L C -0.239 176.663 176.870 0.054 0.000 0.957 324 L CA 0.371 55.256 54.840 0.075 0.000 0.836 324 L CB 1.802 43.902 42.059 0.069 0.000 1.324 324 L HN 1.635 nan 8.230 nan 0.000 0.406 325 A N 2.848 125.684 122.820 0.027 0.000 2.504 325 A HA 1.090 5.410 4.320 -0.001 0.000 0.285 325 A C -1.427 176.125 177.584 -0.053 0.000 1.261 325 A CA -0.061 51.958 52.037 -0.031 0.000 0.741 325 A CB 1.590 20.574 19.000 -0.027 0.000 1.327 325 A HN 1.547 nan 8.150 nan 0.000 0.441 326 A N -1.478 121.294 122.820 -0.080 0.000 2.609 326 A HA 0.938 5.258 4.320 -0.001 0.000 0.291 326 A C -0.780 176.810 177.584 0.010 0.000 1.096 326 A CA -0.020 51.953 52.037 -0.106 0.000 0.684 326 A CB 1.154 19.965 19.000 -0.316 0.000 1.282 326 A HN 2.544 nan 8.150 nan 0.000 0.412 327 A N 1.037 123.865 122.820 0.013 0.000 2.414 327 A HA 0.797 5.117 4.320 -0.001 0.000 0.286 327 A C -0.873 176.778 177.584 0.112 0.000 1.073 327 A CA -0.469 51.643 52.037 0.126 0.000 0.727 327 A CB 1.169 20.252 19.000 0.138 0.000 1.215 327 A HN 0.622 nan 8.150 nan 0.000 0.430 328 R N 1.431 122.017 120.500 0.142 0.000 2.518 328 R HA 0.531 4.870 4.340 -0.001 0.000 0.296 328 R C 0.558 176.941 176.300 0.139 0.000 1.080 328 R CA 0.448 56.608 56.100 0.100 0.000 0.922 328 R CB 1.237 31.511 30.300 -0.043 0.000 1.184 328 R HN 2.121 nan 8.270 nan 0.000 0.445 329 G N 1.328 110.190 108.800 0.105 0.000 2.143 329 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.248 329 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.248 329 G C 0.723 175.660 174.900 0.062 0.000 0.991 329 G CA 0.572 45.719 45.100 0.078 0.000 0.689 329 G HN 1.350 nan 8.290 nan 0.000 0.522 330 G N -1.669 107.170 108.800 0.064 0.000 2.141 330 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.242 330 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.242 330 G C 0.223 175.137 174.900 0.022 0.000 0.982 330 G CA 0.880 46.001 45.100 0.036 0.000 0.662 330 G HN 1.062 nan 8.290 nan 0.000 0.527 331 R N -0.543 119.981 120.500 0.040 0.000 2.589 331 R HA 0.615 4.955 4.340 -0.001 0.000 0.293 331 R C -0.260 176.024 176.300 -0.027 0.000 0.963 331 R CA -0.829 55.249 56.100 -0.037 0.000 0.905 331 R CB 2.393 32.623 30.300 -0.116 0.000 1.144 331 R HN 0.063 nan 8.270 nan 0.000 0.459 332 V N 3.265 123.111 119.914 -0.114 0.000 2.432 332 V HA 0.157 4.277 4.120 -0.001 0.000 0.275 332 V C -0.526 175.432 176.094 -0.226 0.000 1.043 332 V CA -0.631 61.628 62.300 -0.069 0.000 0.925 332 V CB 1.008 32.792 31.823 -0.065 0.000 0.985 332 V HN 0.691 nan 8.190 nan 0.000 0.466 333 H N 3.973 122.916 119.070 -0.211 0.000 2.643 333 H HA 0.465 5.020 4.556 -0.001 0.000 0.259 333 H C 0.243 175.326 175.328 -0.408 0.000 1.298 333 H CA -0.393 55.433 56.048 -0.371 0.000 1.301 333 H CB 0.079 29.524 29.762 -0.529 0.000 1.422 333 H HN 0.479 nan 8.280 nan 0.000 0.521 334 R N 1.401 121.791 120.500 -0.185 0.000 2.582 334 R HA 0.647 4.987 4.340 -0.001 0.000 0.271 334 R C -0.151 176.167 176.300 0.031 0.000 1.078 334 R CA -0.479 55.574 56.100 -0.078 0.000 1.127 334 R CB 0.939 31.223 30.300 -0.027 0.000 1.038 334 R HN 0.560 nan 8.270 nan 0.000 0.500 335 A N 2.816 125.745 122.820 0.182 0.000 2.355 335 A HA 0.471 4.791 4.320 -0.001 0.000 0.324 335 A C -1.767 175.963 177.584 0.243 0.000 1.117 335 A CA -1.323 50.972 52.037 0.430 0.000 0.785 335 A CB 1.095 20.397 19.000 0.502 0.000 1.254 335 A HN 0.652 nan 8.150 nan 0.000 0.453 336 P HA 0.127 nan 4.420 nan 0.000 0.224 336 P C -0.133 177.220 177.300 0.088 0.000 1.159 336 P CA 0.612 63.782 63.100 0.118 0.000 0.824 336 P CB 0.668 32.424 31.700 0.093 0.000 0.833 337 E N 0.372 120.621 120.200 0.082 0.000 2.185 337 E HA 0.256 4.606 4.350 -0.001 0.000 0.261 337 E C -2.108 174.534 176.600 0.070 0.000 0.879 337 E CA -2.404 54.037 56.400 0.068 0.000 0.756 337 E CB 2.444 32.164 29.700 0.034 0.000 1.152 337 E HN -0.103 nan 8.360 nan 0.000 0.416 338 P HA -0.057 nan 4.420 nan 0.000 0.215 338 P C 0.763 177.987 177.300 -0.127 0.000 1.157 338 P CA 1.014 64.081 63.100 -0.056 0.000 0.859 338 P CB 0.095 31.700 31.700 -0.157 0.000 0.786 339 Y N -0.391 119.913 120.300 0.007 0.000 2.439 339 Y HA -0.052 4.498 4.550 -0.001 0.000 0.292 339 Y C 2.382 178.263 175.900 -0.032 0.000 1.130 339 Y CA 1.147 59.239 58.100 -0.015 0.000 1.254 339 Y CB -0.400 38.049 38.460 -0.018 0.000 1.000 339 Y HN -0.098 nan 8.280 nan 0.000 0.554 340 K N -0.036 120.411 120.400 0.078 0.000 2.211 340 K HA 0.037 4.357 4.320 -0.001 0.000 0.201 340 K C 2.194 178.752 176.600 -0.070 0.000 1.052 340 K CA 0.719 56.998 56.287 -0.013 0.000 0.973 340 K CB -0.076 32.389 32.500 -0.058 0.000 0.766 340 K HN 0.199 nan 8.250 nan 0.000 0.466 341 A N 1.223 124.020 122.820 -0.039 0.000 2.070 341 A HA -0.078 4.241 4.320 -0.001 0.000 0.220 341 A C 1.886 179.504 177.584 0.057 0.000 1.159 341 A CA 0.940 52.989 52.037 0.021 0.000 0.656 341 A CB -0.435 18.708 19.000 0.239 0.000 0.800 341 A HN 0.272 nan 8.150 nan 0.000 0.453 342 L N -1.699 119.527 121.223 0.004 0.000 2.291 342 L HA -0.073 4.267 4.340 -0.001 0.000 0.214 342 L C 2.525 179.386 176.870 -0.015 0.000 1.120 342 L CA 0.810 55.641 54.840 -0.015 0.000 0.799 342 L CB -0.261 41.773 42.059 -0.041 0.000 0.925 342 L HN 0.182 nan 8.230 nan 0.000 0.446 343 R N 0.011 120.496 120.500 -0.024 0.000 2.200 343 R HA -0.043 4.296 4.340 -0.001 0.000 0.208 343 R C 1.398 177.677 176.300 -0.034 0.000 1.033 343 R CA 0.783 56.863 56.100 -0.033 0.000 1.000 343 R CB -0.331 29.944 30.300 -0.042 0.000 0.906 343 R HN 0.311 nan 8.270 nan 0.000 0.462 344 D N -0.519 119.861 120.400 -0.034 0.000 2.289 344 D HA 0.029 4.669 4.640 -0.001 0.000 0.207 344 D C -0.160 176.177 176.300 0.062 0.000 0.966 344 D CA 0.463 54.459 54.000 -0.007 0.000 0.868 344 D CB 0.298 41.053 40.800 -0.074 0.000 0.943 344 D HN 0.065 nan 8.370 nan 0.000 0.514 345 L N 1.059 122.317 121.223 0.057 0.000 2.395 345 L HA 0.211 4.551 4.340 -0.001 0.000 0.269 345 L C 1.602 178.463 176.870 -0.016 0.000 1.133 345 L CA -0.313 54.542 54.840 0.026 0.000 0.812 345 L CB 1.455 43.522 42.059 0.012 0.000 1.125 345 L HN -0.142 nan 8.230 nan 0.000 0.452 346 K N 1.859 122.237 120.400 -0.038 0.000 2.044 346 K HA 0.027 4.347 4.320 -0.001 0.000 0.204 346 K C 0.030 176.594 176.600 -0.060 0.000 1.045 346 K CA 0.903 57.161 56.287 -0.048 0.000 0.951 346 K CB 0.475 32.938 32.500 -0.061 0.000 0.738 346 K HN 0.802 nan 8.250 nan 0.000 0.443 347 E N -1.039 119.110 120.200 -0.085 0.000 2.390 347 E HA 0.449 4.799 4.350 -0.001 0.000 0.277 347 E C -1.740 174.792 176.600 -0.114 0.000 0.939 347 E CA -0.985 55.359 56.400 -0.094 0.000 0.769 347 E CB 1.656 31.293 29.700 -0.105 0.000 1.251 347 E HN 0.101 nan 8.360 nan 0.000 0.450 348 A N 2.746 125.505 122.820 -0.101 0.000 2.437 348 A HA 0.310 4.630 4.320 -0.001 0.000 0.303 348 A C -0.181 177.343 177.584 -0.100 0.000 1.324 348 A CA -0.355 51.624 52.037 -0.097 0.000 0.983 348 A CB -0.142 18.802 19.000 -0.092 0.000 1.142 348 A HN 0.530 nan 8.150 nan 0.000 0.541 349 R N 2.629 123.039 120.500 -0.149 0.000 2.393 349 R HA 0.596 4.936 4.340 -0.001 0.000 0.315 349 R C 0.216 176.457 176.300 -0.099 0.000 0.952 349 R CA 0.650 56.623 56.100 -0.212 0.000 0.842 349 R CB 1.223 31.243 30.300 -0.466 0.000 1.163 349 R HN 1.212 nan 8.270 nan 0.000 0.450 350 G N 2.619 111.474 108.800 0.091 0.000 2.340 350 G HA2 0.007 3.967 3.960 -0.001 0.000 0.282 350 G HA3 0.007 3.967 3.960 -0.001 0.000 0.282 350 G C -1.506 173.546 174.900 0.253 0.000 1.312 350 G CA -1.082 44.187 45.100 0.281 0.000 0.942 350 G HN 0.475 nan 8.290 nan 0.000 0.495 351 L N 1.046 122.435 121.223 0.276 0.000 2.455 351 L HA 0.411 4.751 4.340 -0.001 0.000 0.272 351 L C 1.076 178.133 176.870 0.310 0.000 1.174 351 L CA 0.037 55.037 54.840 0.268 0.000 0.869 351 L CB 0.336 42.591 42.059 0.327 0.000 1.130 351 L HN 0.661 nan 8.230 nan 0.000 0.474 352 L N 3.120 124.489 121.223 0.244 0.000 3.548 352 L HA -0.295 4.045 4.340 -0.001 0.000 0.443 352 L C 1.455 178.521 176.870 0.326 0.000 1.286 352 L CA 0.295 55.306 54.840 0.285 0.000 0.863 352 L CB -1.301 40.957 42.059 0.332 0.000 1.734 352 L HN 0.888 nan 8.230 nan 0.000 0.873 353 A N -0.463 122.473 122.820 0.193 0.000 2.067 353 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 353 A C 2.242 179.844 177.584 0.030 0.000 1.158 353 A CA 1.780 53.875 52.037 0.097 0.000 0.661 353 A CB -0.156 18.878 19.000 0.057 0.000 0.801 353 A HN 0.525 nan 8.150 nan 0.000 0.452 354 K N 0.205 120.637 120.400 0.053 0.000 2.044 354 K HA -0.124 4.196 4.320 -0.001 0.000 0.204 354 K C 1.037 177.645 176.600 0.014 0.000 1.049 354 K CA 1.708 58.007 56.287 0.020 0.000 0.945 354 K CB -0.328 32.194 32.500 0.035 0.000 0.724 354 K HN 0.426 nan 8.250 nan 0.000 0.440 355 D N 0.870 121.318 120.400 0.080 0.000 2.263 355 D HA -0.147 4.493 4.640 -0.001 0.000 0.208 355 D C 1.554 177.804 176.300 -0.084 0.000 0.971 355 D CA 0.512 54.569 54.000 0.095 0.000 0.867 355 D CB 0.130 41.099 40.800 0.281 0.000 0.929 355 D HN 0.083 nan 8.370 nan 0.000 0.492 356 L N -0.258 120.796 121.223 -0.282 0.000 2.249 356 L HA 0.098 4.438 4.340 -0.001 0.000 0.207 356 L C 1.799 178.484 176.870 -0.308 0.000 1.090 356 L CA 1.152 55.638 54.840 -0.590 0.000 0.802 356 L CB -0.145 41.415 42.059 -0.832 0.000 0.947 356 L HN -0.175 nan 8.230 nan 0.000 0.453 357 S N -1.134 114.451 115.700 -0.191 0.000 2.423 357 S HA -0.090 4.380 4.470 -0.001 0.000 0.231 357 S C 1.863 176.370 174.600 -0.154 0.000 1.014 357 S CA 1.218 59.330 58.200 -0.147 0.000 0.965 357 S CB -0.202 62.936 63.200 -0.103 0.000 0.785 357 S HN 0.331 nan 8.310 nan 0.000 0.495 358 V N 1.796 121.626 119.914 -0.141 0.000 2.548 358 V HA -0.010 4.109 4.120 -0.001 0.000 0.249 358 V C 2.120 178.126 176.094 -0.147 0.000 1.055 358 V CA 0.942 63.157 62.300 -0.141 0.000 1.065 358 V CB -0.564 31.205 31.823 -0.090 0.000 0.681 358 V HN 0.432 nan 8.190 nan 0.000 0.462 359 L N 0.528 121.667 121.223 -0.141 0.000 2.217 359 L HA -0.014 4.326 4.340 -0.001 0.000 0.211 359 L C 2.406 179.217 176.870 -0.099 0.000 1.107 359 L CA 2.142 56.913 54.840 -0.115 0.000 0.783 359 L CB -0.766 41.204 42.059 -0.148 0.000 0.919 359 L HN 0.365 nan 8.230 nan 0.000 0.442 360 A N -0.335 122.411 122.820 -0.122 0.000 1.930 360 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 360 A C 2.129 179.658 177.584 -0.091 0.000 1.176 360 A CA 0.640 52.622 52.037 -0.092 0.000 0.632 360 A CB -0.428 18.512 19.000 -0.101 0.000 0.819 360 A HN 0.439 nan 8.150 nan 0.000 0.445 361 L N -0.737 120.408 121.223 -0.130 0.000 2.362 361 L HA -0.083 4.257 4.340 -0.001 0.000 0.219 361 L C 2.680 179.469 176.870 -0.135 0.000 1.134 361 L CA 0.836 55.589 54.840 -0.144 0.000 0.807 361 L CB -0.338 41.586 42.059 -0.226 0.000 0.927 361 L HN 0.421 nan 8.230 nan 0.000 0.447 362 R N 0.147 120.563 120.500 -0.141 0.000 2.100 362 R HA -0.081 4.259 4.340 -0.001 0.000 0.220 362 R C 1.695 177.933 176.300 -0.104 0.000 1.091 362 R CA 0.849 56.854 56.100 -0.159 0.000 0.986 362 R CB 0.222 30.403 30.300 -0.198 0.000 0.888 362 R HN 0.289 nan 8.270 nan 0.000 0.444 363 E N -0.401 119.765 120.200 -0.057 0.000 2.358 363 E HA 0.032 4.382 4.350 -0.001 0.000 0.195 363 E C 0.471 177.048 176.600 -0.038 0.000 1.010 363 E CA 0.866 57.248 56.400 -0.029 0.000 0.856 363 E CB 0.339 30.062 29.700 0.039 0.000 0.795 363 E HN 0.557 nan 8.360 nan 0.000 0.504 364 G N 1.398 110.170 108.800 -0.047 0.000 2.754 364 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.215 364 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.215 364 G C -0.588 174.293 174.900 -0.031 0.000 1.121 364 G CA -0.099 44.977 45.100 -0.040 0.000 0.954 364 G HN 0.123 nan 8.290 nan 0.000 0.511 365 L N 0.511 121.712 121.223 -0.036 0.000 2.505 365 L HA 0.710 5.050 4.340 -0.001 0.000 0.266 365 L C 0.479 177.328 176.870 -0.034 0.000 0.954 365 L CA 0.103 54.925 54.840 -0.031 0.000 0.852 365 L CB 1.799 43.840 42.059 -0.030 0.000 1.282 365 L HN 0.582 nan 8.230 nan 0.000 0.403 366 G N 4.800 113.591 108.800 -0.014 0.000 2.807 366 G HA2 0.407 4.367 3.960 -0.001 0.000 0.316 366 G HA3 0.407 4.367 3.960 -0.001 0.000 0.316 366 G C -0.842 174.057 174.900 -0.002 0.000 0.900 366 G CA -0.225 44.879 45.100 0.007 0.000 1.499 366 G HN 0.371 nan 8.290 nan 0.000 0.484 367 L N 5.293 126.500 121.223 -0.026 0.000 2.272 367 L HA 0.593 4.932 4.340 -0.001 0.000 0.289 367 L C -2.053 174.802 176.870 -0.024 0.000 1.032 367 L CA -2.197 52.620 54.840 -0.037 0.000 0.810 367 L CB 1.929 43.947 42.059 -0.068 0.000 1.205 367 L HN 0.233 nan 8.230 nan 0.000 0.422 368 P HA 0.508 nan 4.420 nan 0.000 0.293 368 P C -2.928 174.345 177.300 -0.045 0.000 1.291 368 P CA -2.184 60.909 63.100 -0.011 0.000 0.867 368 P CB 1.374 33.073 31.700 -0.002 0.000 1.074 369 P HA 0.290 nan 4.420 nan 0.000 0.288 369 P C 0.354 177.606 177.300 -0.080 0.000 1.267 369 P CA 0.143 63.206 63.100 -0.061 0.000 0.815 369 P CB 1.243 32.913 31.700 -0.050 0.000 0.989 370 G N 1.730 110.475 108.800 -0.093 0.000 3.374 370 G HA2 0.176 4.136 3.960 -0.001 0.000 0.200 370 G HA3 0.176 4.136 3.960 -0.001 0.000 0.200 370 G C -0.747 174.095 174.900 -0.096 0.000 1.801 370 G CA -0.192 44.836 45.100 -0.119 0.000 0.842 370 G HN 0.395 nan 8.290 nan 0.000 0.688 371 D N 0.329 120.678 120.400 -0.084 0.000 2.264 371 D HA 0.505 5.145 4.640 -0.001 0.000 0.249 371 D C -0.979 175.427 176.300 0.177 0.000 1.070 371 D CA 0.116 54.165 54.000 0.082 0.000 0.912 371 D CB 1.860 42.693 40.800 0.056 0.000 1.193 371 D HN 0.114 nan 8.370 nan 0.000 0.427 372 D N 0.733 121.340 120.400 0.344 0.000 2.936 372 D HA 0.229 4.868 4.640 -0.001 0.000 0.238 372 D C -2.203 174.304 176.300 0.346 0.000 1.248 372 D CA -2.132 52.045 54.000 0.296 0.000 0.903 372 D CB 2.388 43.315 40.800 0.211 0.000 1.544 372 D HN -0.023 nan 8.370 nan 0.000 0.543 373 P HA 0.052 nan 4.420 nan 0.000 0.229 373 P C 1.652 179.018 177.300 0.110 0.000 1.160 373 P CA 0.463 63.674 63.100 0.185 0.000 0.777 373 P CB 0.306 32.092 31.700 0.143 0.000 0.814 374 M N -1.218 118.454 119.600 0.120 0.000 2.200 374 M HA -0.032 4.448 4.480 -0.001 0.000 0.265 374 M C 1.682 178.052 176.300 0.117 0.000 1.066 374 M CA 1.581 56.925 55.300 0.073 0.000 1.127 374 M CB -0.945 31.677 32.600 0.036 0.000 1.379 374 M HN 0.026 nan 8.290 nan 0.000 0.420 375 L N -1.223 120.118 121.223 0.196 0.000 2.418 375 L HA -0.070 4.269 4.340 -0.001 0.000 0.218 375 L C 2.138 179.148 176.870 0.233 0.000 1.125 375 L CA 0.157 55.170 54.840 0.289 0.000 0.835 375 L CB -0.472 41.828 42.059 0.401 0.000 0.953 375 L HN 0.211 nan 8.230 nan 0.000 0.454 376 L N 0.150 121.423 121.223 0.083 0.000 2.072 376 L HA -0.078 4.261 4.340 -0.001 0.000 0.205 376 L C 2.822 179.643 176.870 -0.081 0.000 1.079 376 L CA 1.134 55.897 54.840 -0.129 0.000 0.752 376 L CB -0.528 41.434 42.059 -0.161 0.000 0.906 376 L HN 0.234 nan 8.230 nan 0.000 0.436 377 A N -1.256 121.546 122.820 -0.030 0.000 2.016 377 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 377 A C 2.123 179.756 177.584 0.080 0.000 1.162 377 A CA 0.800 52.825 52.037 -0.020 0.000 0.662 377 A CB -0.648 18.348 19.000 -0.006 0.000 0.812 377 A HN 0.454 nan 8.150 nan 0.000 0.450 378 Y N 0.601 120.899 120.300 -0.004 0.000 2.242 378 Y HA -0.071 4.478 4.550 -0.001 0.000 0.291 378 Y C 1.731 177.642 175.900 0.018 0.000 1.137 378 Y CA 1.473 59.585 58.100 0.020 0.000 1.181 378 Y CB -0.226 38.260 38.460 0.044 0.000 0.989 378 Y HN 0.230 nan 8.280 nan 0.000 0.527 379 L N -0.985 120.203 121.223 -0.058 0.000 2.240 379 L HA -0.122 4.218 4.340 -0.001 0.000 0.211 379 L C 2.097 178.887 176.870 -0.133 0.000 1.106 379 L CA 0.616 55.372 54.840 -0.141 0.000 0.793 379 L CB -0.319 41.712 42.059 -0.046 0.000 0.927 379 L HN 0.213 nan 8.230 nan 0.000 0.446 380 L N -1.627 119.535 121.223 -0.101 0.000 2.202 380 L HA 0.106 4.446 4.340 -0.001 0.000 0.205 380 L C 0.268 177.075 176.870 -0.106 0.000 1.083 380 L CA 0.672 55.451 54.840 -0.101 0.000 0.790 380 L CB 0.201 42.201 42.059 -0.100 0.000 0.942 380 L HN 0.130 nan 8.230 nan 0.000 0.452 381 D N -1.761 118.589 120.400 -0.083 0.000 2.738 381 D HA 0.172 4.812 4.640 -0.001 0.000 0.218 381 D C -2.296 174.010 176.300 0.010 0.000 1.345 381 D CA -1.184 52.767 54.000 -0.082 0.000 0.943 381 D CB 2.334 43.011 40.800 -0.204 0.000 1.514 381 D HN -0.277 nan 8.370 nan 0.000 0.585 382 P HA -0.039 nan 4.420 nan 0.000 0.239 382 P C 1.195 178.585 177.300 0.149 0.000 1.184 382 P CA 0.635 63.797 63.100 0.103 0.000 0.760 382 P CB 0.288 32.019 31.700 0.050 0.000 0.884 383 S N -2.199 113.555 115.700 0.090 0.000 2.461 383 S HA 0.012 4.482 4.470 -0.001 0.000 0.228 383 S C 1.073 175.711 174.600 0.063 0.000 1.005 383 S CA 0.326 58.566 58.200 0.067 0.000 0.942 383 S CB -0.703 62.516 63.200 0.032 0.000 0.776 383 S HN 0.061 nan 8.310 nan 0.000 0.514 384 N N 3.145 121.896 118.700 0.084 0.000 3.034 384 N HA 0.160 4.899 4.740 -0.001 0.000 0.265 384 N C -0.216 175.346 175.510 0.087 0.000 1.166 384 N CA 0.338 53.436 53.050 0.081 0.000 1.081 384 N CB 0.970 39.529 38.487 0.120 0.000 1.378 384 N HN 0.603 nan 8.380 nan 0.000 0.520 385 T N -2.889 111.691 114.554 0.042 0.000 3.269 385 T HA 0.158 4.508 4.350 -0.001 0.000 0.269 385 T C 0.438 175.097 174.700 -0.068 0.000 0.993 385 T CA -0.484 61.610 62.100 -0.010 0.000 0.909 385 T CB -0.237 68.626 68.868 -0.008 0.000 1.115 385 T HN 0.227 nan 8.240 nan 0.000 0.543 386 T N -1.281 113.222 114.554 -0.084 0.000 2.909 386 T HA 0.532 4.882 4.350 -0.001 0.000 0.299 386 T C -2.760 171.791 174.700 -0.249 0.000 1.073 386 T CA -1.764 60.236 62.100 -0.166 0.000 0.999 386 T CB 2.195 70.971 68.868 -0.152 0.000 1.098 386 T HN -0.333 nan 8.240 nan 0.000 0.477 387 P HA 0.120 nan 4.420 nan 0.000 0.231 387 P C 0.795 177.697 177.300 -0.663 0.000 1.168 387 P CA 0.562 63.241 63.100 -0.701 0.000 0.779 387 P CB 0.265 31.134 31.700 -1.385 0.000 0.844 388 E N -0.905 118.976 120.200 -0.532 0.000 2.102 388 E HA 0.033 4.383 4.350 -0.001 0.000 0.190 388 E C 2.232 178.778 176.600 -0.090 0.000 0.971 388 E CA 1.083 57.328 56.400 -0.259 0.000 0.821 388 E CB -1.287 28.288 29.700 -0.208 0.000 0.777 388 E HN 0.108 nan 8.360 nan 0.000 0.460 389 G N 0.486 109.230 108.800 -0.093 0.000 2.443 389 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 389 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 389 G C 1.568 176.490 174.900 0.038 0.000 1.131 389 G CA 0.751 45.835 45.100 -0.027 0.000 0.775 389 G HN 0.156 nan 8.290 nan 0.000 0.547 390 V N 0.900 120.845 119.914 0.051 0.000 2.591 390 V HA 0.039 4.159 4.120 -0.001 0.000 0.249 390 V C 3.106 179.324 176.094 0.206 0.000 1.053 390 V CA 1.645 64.043 62.300 0.164 0.000 1.068 390 V CB -0.261 31.598 31.823 0.061 0.000 0.689 390 V HN 0.449 nan 8.190 nan 0.000 0.462 391 A N 0.568 123.458 122.820 0.118 0.000 1.843 391 A HA -0.125 4.194 4.320 -0.001 0.000 0.213 391 A C 2.350 180.001 177.584 0.111 0.000 1.202 391 A CA 1.313 53.429 52.037 0.133 0.000 0.607 391 A CB -0.435 18.660 19.000 0.157 0.000 0.847 391 A HN 0.450 nan 8.150 nan 0.000 0.445 392 R N -0.913 119.632 120.500 0.074 0.000 2.152 392 R HA -0.058 4.282 4.340 -0.001 0.000 0.232 392 R C 2.397 178.696 176.300 -0.002 0.000 1.117 392 R CA 1.385 57.508 56.100 0.037 0.000 0.981 392 R CB -0.203 30.111 30.300 0.023 0.000 0.870 392 R HN 0.522 nan 8.270 nan 0.000 0.451 393 R N -0.294 120.193 120.500 -0.023 0.000 2.090 393 R HA -0.038 4.302 4.340 -0.001 0.000 0.219 393 R C 1.091 177.237 176.300 -0.257 0.000 1.100 393 R CA 1.026 57.022 56.100 -0.173 0.000 0.991 393 R CB 0.124 30.261 30.300 -0.272 0.000 0.893 393 R HN 0.199 nan 8.270 nan 0.000 0.443 394 Y N -0.558 119.729 120.300 -0.021 0.000 2.511 394 Y HA 0.296 4.846 4.550 -0.001 0.000 0.279 394 Y C 0.497 176.389 175.900 -0.013 0.000 1.157 394 Y CA 0.591 58.677 58.100 -0.023 0.000 1.300 394 Y CB 1.154 39.599 38.460 -0.025 0.000 1.052 394 Y HN 0.317 nan 8.280 nan 0.000 0.529 395 G N -0.302 108.559 108.800 0.102 0.000 2.607 395 G HA2 0.381 4.341 3.960 -0.001 0.000 0.613 395 G HA3 0.381 4.341 3.960 -0.001 0.000 0.613 395 G C -0.189 174.754 174.900 0.071 0.000 1.099 395 G CA -0.457 44.683 45.100 0.067 0.000 1.280 395 G HN 0.744 nan 8.290 nan 0.000 0.573 396 G N -0.038 108.800 108.800 0.063 0.000 2.343 396 G HA2 0.669 4.629 3.960 -0.001 0.000 0.289 396 G HA3 0.669 4.629 3.960 -0.001 0.000 0.289 396 G C -1.141 173.805 174.900 0.077 0.000 1.295 396 G CA 0.115 45.255 45.100 0.067 0.000 0.869 396 G HN 0.772 nan 8.290 nan 0.000 0.522 397 E N -1.225 119.031 120.200 0.093 0.000 2.433 397 E HA 0.430 4.779 4.350 -0.001 0.000 0.278 397 E C -1.620 175.096 176.600 0.195 0.000 0.976 397 E CA -0.874 55.597 56.400 0.118 0.000 0.793 397 E CB 2.808 32.550 29.700 0.071 0.000 1.311 397 E HN 0.522 nan 8.360 nan 0.000 0.460 398 W N 3.965 125.258 121.300 -0.012 0.000 2.393 398 W HA 0.278 4.937 4.660 -0.001 0.000 0.315 398 W C -0.747 175.755 176.519 -0.028 0.000 1.009 398 W CA -0.398 56.933 57.345 -0.023 0.000 1.313 398 W CB 1.090 30.535 29.460 -0.025 0.000 1.269 398 W HN 0.624 nan 8.180 nan 0.000 0.420 399 T N 0.795 115.192 114.554 -0.261 0.000 2.867 399 T HA 0.244 4.593 4.350 -0.001 0.000 0.286 399 T C 0.880 175.345 174.700 -0.391 0.000 1.022 399 T CA -0.030 61.926 62.100 -0.239 0.000 0.933 399 T CB 1.335 70.097 68.868 -0.177 0.000 1.280 399 T HN 0.446 nan 8.240 nan 0.000 0.566 400 E N -1.229 118.831 120.200 -0.232 0.000 2.452 400 E HA 0.197 4.547 4.350 -0.001 0.000 0.197 400 E C 0.569 177.042 176.600 -0.211 0.000 1.022 400 E CA -0.030 56.246 56.400 -0.207 0.000 0.890 400 E CB 0.141 29.783 29.700 -0.097 0.000 0.918 400 E HN 0.535 nan 8.360 nan 0.000 0.496 401 E N 0.519 120.596 120.200 -0.205 0.000 2.283 401 E HA 0.324 4.673 4.350 -0.001 0.000 0.278 401 E C 0.401 176.874 176.600 -0.211 0.000 1.027 401 E CA 0.137 56.440 56.400 -0.163 0.000 0.843 401 E CB 1.458 31.090 29.700 -0.115 0.000 1.062 401 E HN 0.220 nan 8.360 nan 0.000 0.401 402 A N 3.677 126.404 122.820 -0.155 0.000 2.014 402 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 402 A C 1.847 179.365 177.584 -0.111 0.000 1.163 402 A CA 1.528 53.479 52.037 -0.143 0.000 0.652 402 A CB -0.403 18.563 19.000 -0.058 0.000 0.808 402 A HN 0.702 nan 8.150 nan 0.000 0.449 403 G N -0.353 108.394 108.800 -0.089 0.000 2.422 403 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.218 403 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.218 403 G C 1.392 176.247 174.900 -0.076 0.000 1.140 403 G CA 0.947 46.006 45.100 -0.069 0.000 0.775 403 G HN 0.659 nan 8.290 nan 0.000 0.545 404 E N -0.220 119.916 120.200 -0.106 0.000 2.250 404 E HA 0.073 4.423 4.350 -0.001 0.000 0.192 404 E C 2.624 179.150 176.600 -0.123 0.000 0.986 404 E CA -0.087 56.252 56.400 -0.101 0.000 0.849 404 E CB 0.083 29.719 29.700 -0.107 0.000 0.797 404 E HN 0.295 nan 8.360 nan 0.000 0.482 405 R N 0.452 120.830 120.500 -0.204 0.000 2.153 405 R HA 0.073 4.412 4.340 -0.001 0.000 0.218 405 R C 2.162 178.406 176.300 -0.093 0.000 1.072 405 R CA 0.810 56.755 56.100 -0.258 0.000 0.990 405 R CB 0.015 29.967 30.300 -0.580 0.000 0.889 405 R HN 0.049 nan 8.270 nan 0.000 0.452 406 A N 1.064 123.852 122.820 -0.054 0.000 1.930 406 A HA 0.033 4.353 4.320 -0.001 0.000 0.215 406 A C 2.235 179.843 177.584 0.040 0.000 1.176 406 A CA 1.289 53.341 52.037 0.026 0.000 0.632 406 A CB -0.295 18.718 19.000 0.021 0.000 0.819 406 A HN 0.321 nan 8.150 nan 0.000 0.445 407 A N -0.798 122.024 122.820 0.004 0.000 2.119 407 A HA 0.138 4.457 4.320 -0.001 0.000 0.217 407 A C 2.002 179.576 177.584 -0.016 0.000 1.153 407 A CA 1.365 53.402 52.037 -0.001 0.000 0.692 407 A CB -0.412 18.582 19.000 -0.011 0.000 0.799 407 A HN 0.583 nan 8.150 nan 0.000 0.458 408 L N -0.542 120.679 121.223 -0.003 0.000 2.131 408 L HA 0.012 4.351 4.340 -0.001 0.000 0.206 408 L C 2.324 179.195 176.870 0.001 0.000 1.087 408 L CA 2.228 57.079 54.840 0.019 0.000 0.767 408 L CB -0.382 41.719 42.059 0.070 0.000 0.917 408 L HN 0.221 nan 8.230 nan 0.000 0.441 409 S N -0.596 115.109 115.700 0.009 0.000 2.442 409 S HA -0.196 4.274 4.470 -0.001 0.000 0.236 409 S C 1.825 176.171 174.600 -0.423 0.000 1.007 409 S CA 1.292 59.471 58.200 -0.035 0.000 0.965 409 S CB -0.301 62.986 63.200 0.146 0.000 0.773 409 S HN 0.552 nan 8.310 nan 0.000 0.504 410 E N 1.050 120.960 120.200 -0.483 0.000 2.107 410 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 410 E C 2.170 178.559 176.600 -0.352 0.000 0.982 410 E CA 0.561 56.516 56.400 -0.742 0.000 0.809 410 E CB 0.093 29.605 29.700 -0.313 0.000 0.756 410 E HN 0.420 nan 8.360 nan 0.000 0.459 411 R N -0.041 120.359 120.500 -0.168 0.000 2.093 411 R HA 0.057 4.397 4.340 -0.001 0.000 0.224 411 R C 2.360 178.630 176.300 -0.050 0.000 1.101 411 R CA 0.514 56.572 56.100 -0.070 0.000 0.979 411 R CB -0.044 30.239 30.300 -0.028 0.000 0.877 411 R HN 0.205 nan 8.270 nan 0.000 0.441 412 L N 0.068 121.262 121.223 -0.049 0.000 2.551 412 L HA -0.060 4.279 4.340 -0.001 0.000 0.228 412 L C 1.726 178.583 176.870 -0.022 0.000 1.153 412 L CA 0.540 55.358 54.840 -0.037 0.000 0.851 412 L CB -0.142 41.917 42.059 -0.000 0.000 0.959 412 L HN 0.139 nan 8.230 nan 0.000 0.451 413 F N 0.447 120.279 119.950 -0.197 0.000 2.317 413 F HA 0.090 4.616 4.527 -0.001 0.000 0.290 413 F C 2.426 178.200 175.800 -0.043 0.000 1.075 413 F CA 0.824 58.738 58.000 -0.144 0.000 1.380 413 F CB -0.084 38.725 39.000 -0.318 0.000 1.093 413 F HN -0.047 nan 8.300 nan 0.000 0.524 414 A N 0.510 123.329 122.820 -0.002 0.000 1.978 414 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 414 A C 1.883 179.448 177.584 -0.033 0.000 1.170 414 A CA 2.030 54.066 52.037 -0.003 0.000 0.636 414 A CB -0.734 18.282 19.000 0.028 0.000 0.810 414 A HN 0.509 nan 8.150 nan 0.000 0.448 415 N N -0.691 117.970 118.700 -0.065 0.000 2.336 415 N HA 0.027 4.766 4.740 -0.001 0.000 0.177 415 N C 1.235 176.655 175.510 -0.150 0.000 1.018 415 N CA 0.890 53.894 53.050 -0.077 0.000 0.878 415 N CB -0.259 38.198 38.487 -0.051 0.000 0.997 415 N HN 0.327 nan 8.380 nan 0.000 0.433 416 L N -0.196 120.895 121.223 -0.220 0.000 2.307 416 L HA 0.104 4.444 4.340 -0.001 0.000 0.211 416 L C 2.057 178.794 176.870 -0.222 0.000 1.099 416 L CA 0.551 55.224 54.840 -0.278 0.000 0.816 416 L CB -0.551 41.309 42.059 -0.332 0.000 0.952 416 L HN 0.323 nan 8.230 nan 0.000 0.455 417 W N 0.503 121.526 121.300 -0.462 0.000 2.436 417 W HA -0.066 4.594 4.660 -0.001 0.000 0.284 417 W C 1.881 178.234 176.519 -0.276 0.000 1.225 417 W CA 1.160 58.209 57.345 -0.494 0.000 1.271 417 W CB 0.002 28.949 29.460 -0.856 0.000 1.114 417 W HN 0.280 nan 8.180 nan 0.000 0.559 418 G N 0.870 109.578 108.800 -0.154 0.000 2.408 418 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 418 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 418 G C 1.533 176.312 174.900 -0.201 0.000 1.150 418 G CA 0.377 45.386 45.100 -0.153 0.000 0.776 418 G HN 0.046 nan 8.290 nan 0.000 0.542 419 R N -0.502 119.879 120.500 -0.199 0.000 2.240 419 R HA 0.211 4.551 4.340 -0.001 0.000 0.203 419 R C 2.126 178.291 176.300 -0.225 0.000 1.011 419 R CA 0.146 56.137 56.100 -0.183 0.000 1.007 419 R CB -0.521 29.693 30.300 -0.144 0.000 0.911 419 R HN 0.409 nan 8.270 nan 0.000 0.468 420 L N 0.864 121.892 121.223 -0.325 0.000 2.416 420 L HA 0.070 4.409 4.340 -0.001 0.000 0.216 420 L C 1.964 178.579 176.870 -0.425 0.000 1.098 420 L CA 1.008 55.623 54.840 -0.374 0.000 0.840 420 L CB 0.082 41.859 42.059 -0.471 0.000 0.981 420 L HN -0.072 nan 8.230 nan 0.000 0.462 421 E N -0.332 119.561 120.200 -0.512 0.000 2.268 421 E HA -0.070 4.280 4.350 -0.001 0.000 0.195 421 E C 1.822 178.329 176.600 -0.155 0.000 0.995 421 E CA 1.011 57.169 56.400 -0.402 0.000 0.836 421 E CB -0.089 29.371 29.700 -0.399 0.000 0.763 421 E HN 0.544 nan 8.360 nan 0.000 0.491 422 G N 0.687 109.402 108.800 -0.142 0.000 2.985 422 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.209 422 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.209 422 G C 0.439 175.336 174.900 -0.005 0.000 1.165 422 G CA -0.062 44.992 45.100 -0.077 0.000 0.776 422 G HN -0.046 nan 8.290 nan 0.000 0.541 423 E N 0.846 121.035 120.200 -0.019 0.000 2.255 423 E HA 0.195 4.545 4.350 -0.001 0.000 0.245 423 E C 0.138 176.766 176.600 0.046 0.000 0.909 423 E CA -0.404 56.018 56.400 0.035 0.000 0.747 423 E CB 1.359 31.037 29.700 -0.038 0.000 1.215 423 E HN 0.112 nan 8.360 nan 0.000 0.424 424 E N 1.469 121.723 120.200 0.090 0.000 2.208 424 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 424 E C 1.343 177.988 176.600 0.074 0.000 0.988 424 E CA 0.488 56.899 56.400 0.018 0.000 0.828 424 E CB 0.351 29.929 29.700 -0.204 0.000 0.763 424 E HN 0.248 nan 8.360 nan 0.000 0.478 425 R N 0.235 120.777 120.500 0.070 0.000 2.148 425 R HA 0.035 4.375 4.340 -0.001 0.000 0.223 425 R C 2.315 178.708 176.300 0.156 0.000 1.088 425 R CA 0.463 56.624 56.100 0.102 0.000 0.985 425 R CB -0.214 30.131 30.300 0.074 0.000 0.880 425 R HN 0.237 nan 8.270 nan 0.000 0.451 426 L N -0.054 121.231 121.223 0.103 0.000 2.375 426 L HA 0.058 4.398 4.340 -0.001 0.000 0.215 426 L C 2.177 179.130 176.870 0.139 0.000 1.108 426 L CA 0.258 55.153 54.840 0.092 0.000 0.830 426 L CB -0.185 41.872 42.059 -0.002 0.000 0.959 426 L HN 0.052 nan 8.230 nan 0.000 0.457 427 L N -1.534 119.768 121.223 0.131 0.000 2.217 427 L HA -0.161 4.178 4.340 -0.001 0.000 0.211 427 L C 2.249 179.270 176.870 0.252 0.000 1.107 427 L CA 1.166 56.105 54.840 0.164 0.000 0.783 427 L CB -0.242 41.867 42.059 0.083 0.000 0.919 427 L HN 0.380 nan 8.230 nan 0.000 0.442 428 W N 0.042 121.401 121.300 0.099 0.000 2.453 428 W HA -0.085 4.575 4.660 -0.001 0.000 0.289 428 W C 2.021 178.592 176.519 0.086 0.000 1.215 428 W CA 0.908 58.310 57.345 0.095 0.000 1.297 428 W CB 0.145 29.660 29.460 0.091 0.000 1.113 428 W HN -0.042 nan 8.180 nan 0.000 0.551 429 L N -0.457 120.960 121.223 0.323 0.000 2.478 429 L HA -0.131 4.209 4.340 -0.001 0.000 0.223 429 L C 1.794 178.766 176.870 0.170 0.000 1.140 429 L CA 0.602 55.563 54.840 0.201 0.000 0.842 429 L CB -0.498 41.684 42.059 0.205 0.000 0.953 429 L HN 0.045 nan 8.230 nan 0.000 0.452 430 Y N -0.362 119.971 120.300 0.055 0.000 2.479 430 Y HA 0.037 4.587 4.550 -0.001 0.000 0.283 430 Y C 2.609 178.532 175.900 0.038 0.000 1.109 430 Y CA 0.784 58.931 58.100 0.078 0.000 1.239 430 Y CB 0.176 38.727 38.460 0.152 0.000 1.108 430 Y HN -0.079 nan 8.280 nan 0.000 0.548 431 R N -0.324 120.170 120.500 -0.010 0.000 2.112 431 R HA -0.005 4.335 4.340 -0.001 0.000 0.216 431 R C 1.546 177.699 176.300 -0.245 0.000 1.080 431 R CA 1.131 57.157 56.100 -0.123 0.000 0.996 431 R CB 0.235 30.514 30.300 -0.037 0.000 0.902 431 R HN 0.162 nan 8.270 nan 0.000 0.449 432 E N -0.399 119.569 120.200 -0.386 0.000 2.307 432 E HA 0.006 4.356 4.350 -0.001 0.000 0.195 432 E C 1.639 178.021 176.600 -0.363 0.000 0.975 432 E CA 0.568 56.667 56.400 -0.502 0.000 0.878 432 E CB 0.785 29.855 29.700 -1.049 0.000 0.845 432 E HN 0.144 nan 8.360 nan 0.000 0.488 433 V N 1.091 120.842 119.914 -0.272 0.000 2.868 433 V HA -0.036 4.084 4.120 -0.001 0.000 0.227 433 V C 2.091 178.114 176.094 -0.118 0.000 1.136 433 V CA 0.426 62.619 62.300 -0.179 0.000 1.206 433 V CB -0.305 31.434 31.823 -0.140 0.000 0.997 433 V HN -0.017 nan 8.190 nan 0.000 0.505 434 E N 1.013 121.179 120.200 -0.057 0.000 2.021 434 E HA -0.238 4.112 4.350 -0.001 0.000 0.200 434 E C 2.296 178.823 176.600 -0.122 0.000 1.015 434 E CA 1.648 58.032 56.400 -0.027 0.000 0.824 434 E CB -0.372 29.401 29.700 0.122 0.000 0.762 434 E HN 0.412 nan 8.360 nan 0.000 0.454 435 R N 0.067 120.414 120.500 -0.256 0.000 2.081 435 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 435 R C -0.467 175.720 176.300 -0.187 0.000 1.131 435 R CA 1.528 57.467 56.100 -0.267 0.000 0.960 435 R CB -1.050 29.012 30.300 -0.395 0.000 0.856 435 R HN 0.252 nan 8.270 nan 0.000 0.436 436 P HA -0.065 nan 4.420 nan 0.000 0.245 436 P C 1.034 178.215 177.300 -0.198 0.000 1.206 436 P CA 0.708 63.708 63.100 -0.166 0.000 0.781 436 P CB 0.151 31.764 31.700 -0.146 0.000 0.994 437 L N -0.005 121.114 121.223 -0.175 0.000 2.270 437 L HA 0.098 4.438 4.340 -0.001 0.000 0.210 437 L C 2.158 178.923 176.870 -0.175 0.000 1.104 437 L CA 1.502 56.235 54.840 -0.178 0.000 0.804 437 L CB -0.935 41.053 42.059 -0.118 0.000 0.937 437 L HN -0.197 nan 8.230 nan 0.000 0.450 438 S N -0.238 115.381 115.700 -0.136 0.000 2.447 438 S HA -0.040 4.430 4.470 -0.001 0.000 0.233 438 S C 1.964 176.495 174.600 -0.115 0.000 1.006 438 S CA 0.898 59.040 58.200 -0.096 0.000 0.957 438 S CB -0.304 62.857 63.200 -0.065 0.000 0.773 438 S HN 0.614 nan 8.310 nan 0.000 0.507 439 A N 0.637 123.345 122.820 -0.187 0.000 2.072 439 A HA 0.162 4.481 4.320 -0.001 0.000 0.216 439 A C 2.090 179.431 177.584 -0.405 0.000 1.156 439 A CA 0.549 52.467 52.037 -0.198 0.000 0.701 439 A CB -0.256 18.626 19.000 -0.196 0.000 0.816 439 A HN 0.359 nan 8.150 nan 0.000 0.458 440 V N -0.034 119.532 119.914 -0.580 0.000 2.446 440 V HA -0.114 4.006 4.120 -0.001 0.000 0.244 440 V C 2.369 178.334 176.094 -0.216 0.000 1.039 440 V CA 1.367 63.255 62.300 -0.687 0.000 1.045 440 V CB -0.783 30.699 31.823 -0.569 0.000 0.681 440 V HN 0.534 nan 8.190 nan 0.000 0.459 441 L N 0.605 121.744 121.223 -0.141 0.000 2.201 441 L HA -0.064 4.275 4.340 -0.001 0.000 0.212 441 L C 2.658 179.562 176.870 0.057 0.000 1.105 441 L CA 1.261 56.085 54.840 -0.026 0.000 0.775 441 L CB -0.765 41.298 42.059 0.006 0.000 0.913 441 L HN 0.358 nan 8.230 nan 0.000 0.440 442 A N -0.612 122.223 122.820 0.026 0.000 2.014 442 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 442 A C 1.879 179.449 177.584 -0.024 0.000 1.163 442 A CA 1.305 53.343 52.037 0.002 0.000 0.652 442 A CB -0.579 18.401 19.000 -0.035 0.000 0.808 442 A HN 0.404 nan 8.150 nan 0.000 0.449 443 H N -1.179 117.909 119.070 0.031 0.000 2.482 443 H HA 0.193 4.749 4.556 -0.001 0.000 0.286 443 H C 1.999 177.386 175.328 0.100 0.000 1.017 443 H CA 1.312 57.416 56.048 0.093 0.000 1.322 443 H CB -0.049 29.843 29.762 0.218 0.000 1.426 443 H HN 0.399 nan 8.280 nan 0.000 0.546 444 M N -0.515 119.207 119.600 0.203 0.000 2.349 444 M HA -0.067 4.412 4.480 -0.001 0.000 0.266 444 M C 1.833 178.284 176.300 0.251 0.000 1.076 444 M CA 1.234 56.654 55.300 0.200 0.000 1.126 444 M CB 0.155 32.839 32.600 0.140 0.000 1.392 444 M HN 0.320 nan 8.290 nan 0.000 0.440 445 E N 0.594 120.920 120.200 0.211 0.000 2.190 445 E HA -0.017 4.333 4.350 -0.001 0.000 0.191 445 E C 1.955 178.577 176.600 0.037 0.000 0.978 445 E CA 0.680 57.186 56.400 0.176 0.000 0.839 445 E CB 0.245 30.023 29.700 0.130 0.000 0.787 445 E HN 0.418 nan 8.360 nan 0.000 0.473 446 A N 0.190 122.988 122.820 -0.037 0.000 1.930 446 A HA -0.069 4.251 4.320 -0.001 0.000 0.215 446 A C 2.225 179.757 177.584 -0.088 0.000 1.176 446 A CA 1.605 53.538 52.037 -0.174 0.000 0.632 446 A CB -0.442 18.441 19.000 -0.195 0.000 0.819 446 A HN 0.228 nan 8.150 nan 0.000 0.445 447 T N -1.056 113.534 114.554 0.061 0.000 2.755 447 T HA 0.432 4.781 4.350 -0.001 0.000 0.251 447 T C 1.251 176.070 174.700 0.198 0.000 1.044 447 T CA 1.174 63.332 62.100 0.097 0.000 1.154 447 T CB -0.668 68.242 68.868 0.070 0.000 0.866 447 T HN 1.607 nan 8.240 nan 0.000 0.416 448 G N 0.456 109.384 108.800 0.213 0.000 2.757 448 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.638 448 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.638 448 G C -0.828 174.102 174.900 0.049 0.000 1.344 448 G CA -0.632 44.563 45.100 0.159 0.000 0.855 448 G HN 0.597 nan 8.290 nan 0.000 0.537 449 V N 0.574 120.505 119.914 0.029 0.000 2.495 449 V HA 0.676 4.795 4.120 -0.001 0.000 0.298 449 V C 0.876 176.954 176.094 -0.027 0.000 1.031 449 V CA -0.706 61.611 62.300 0.029 0.000 0.871 449 V CB 1.649 33.556 31.823 0.141 0.000 0.988 449 V HN 0.930 nan 8.190 nan 0.000 0.432 450 R N 3.336 123.809 120.500 -0.045 0.000 2.490 450 R HA 0.617 4.956 4.340 -0.001 0.000 0.280 450 R C -1.202 175.059 176.300 -0.066 0.000 1.077 450 R CA -0.336 55.724 56.100 -0.067 0.000 1.065 450 R CB 0.585 30.841 30.300 -0.074 0.000 1.003 450 R HN 0.676 nan 8.270 nan 0.000 0.470 451 L N 1.990 123.156 121.223 -0.095 0.000 2.319 451 L HA 0.316 4.655 4.340 -0.001 0.000 0.267 451 L C -0.066 176.766 176.870 -0.062 0.000 1.011 451 L CA -0.770 53.993 54.840 -0.129 0.000 0.818 451 L CB 1.748 43.684 42.059 -0.206 0.000 1.316 451 L HN 0.579 nan 8.230 nan 0.000 0.432 452 D N 1.101 121.479 120.400 -0.037 0.000 2.411 452 D HA 0.115 4.754 4.640 -0.001 0.000 0.225 452 D C 0.962 177.288 176.300 0.042 0.000 1.156 452 D CA -0.229 53.781 54.000 0.017 0.000 0.874 452 D CB 1.723 42.546 40.800 0.040 0.000 1.034 452 D HN 0.435 nan 8.370 nan 0.000 0.502 453 V N 2.356 122.283 119.914 0.023 0.000 2.913 453 V HA -0.045 4.075 4.120 -0.001 0.000 0.260 453 V C 1.789 177.905 176.094 0.038 0.000 1.098 453 V CA 1.456 63.768 62.300 0.021 0.000 1.121 453 V CB -0.605 31.222 31.823 0.007 0.000 0.714 453 V HN 0.482 nan 8.190 nan 0.000 0.487 454 A N -1.714 121.144 122.820 0.063 0.000 2.195 454 A HA 0.214 4.533 4.320 -0.001 0.000 0.210 454 A C 1.923 179.567 177.584 0.101 0.000 1.165 454 A CA 0.631 52.707 52.037 0.066 0.000 0.806 454 A CB -0.405 18.634 19.000 0.066 0.000 0.847 454 A HN 0.609 nan 8.150 nan 0.000 0.482 455 Y N -0.271 120.031 120.300 0.002 0.000 2.343 455 Y HA 0.134 4.684 4.550 -0.000 0.000 0.294 455 Y C 1.799 177.703 175.900 0.007 0.000 1.122 455 Y CA 0.595 58.701 58.100 0.010 0.000 1.173 455 Y CB 0.147 38.619 38.460 0.019 0.000 1.077 455 Y HN 0.134 nan 8.280 nan 0.000 0.542 456 L N 1.092 122.352 121.223 0.061 0.000 2.127 456 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 456 L C 2.272 179.103 176.870 -0.064 0.000 1.089 456 L CA 2.203 57.040 54.840 -0.005 0.000 0.757 456 L CB -1.098 40.974 42.059 0.021 0.000 0.899 456 L HN 0.431 nan 8.230 nan 0.000 0.434 457 R N -0.109 120.357 120.500 -0.058 0.000 2.093 457 R HA 0.055 4.395 4.340 -0.001 0.000 0.224 457 R C 2.174 178.419 176.300 -0.091 0.000 1.101 457 R CA 1.177 57.243 56.100 -0.056 0.000 0.979 457 R CB -0.771 29.511 30.300 -0.031 0.000 0.877 457 R HN 0.107 nan 8.270 nan 0.000 0.441 458 A N 1.105 123.840 122.820 -0.142 0.000 2.014 458 A HA 0.047 4.366 4.320 -0.001 0.000 0.218 458 A C 2.023 179.465 177.584 -0.237 0.000 1.163 458 A CA 0.757 52.687 52.037 -0.178 0.000 0.652 458 A CB -0.250 18.631 19.000 -0.199 0.000 0.808 458 A HN 0.299 nan 8.150 nan 0.000 0.449 459 L N -0.854 120.178 121.223 -0.319 0.000 2.341 459 L HA 0.082 4.422 4.340 -0.001 0.000 0.214 459 L C 2.442 179.236 176.870 -0.127 0.000 1.115 459 L CA 1.807 56.484 54.840 -0.272 0.000 0.820 459 L CB -0.388 41.483 42.059 -0.314 0.000 0.944 459 L HN 0.299 nan 8.230 nan 0.000 0.452 460 S N -0.723 114.917 115.700 -0.100 0.000 2.423 460 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 460 S C 1.778 176.347 174.600 -0.051 0.000 1.014 460 S CA 1.538 59.704 58.200 -0.056 0.000 0.965 460 S CB -0.253 62.921 63.200 -0.043 0.000 0.785 460 S HN 0.528 nan 8.310 nan 0.000 0.495 461 L N -0.467 120.719 121.223 -0.062 0.000 2.463 461 L HA 0.485 4.825 4.340 -0.001 0.000 0.219 461 L C 1.952 178.792 176.870 -0.049 0.000 1.088 461 L CA 0.970 55.780 54.840 -0.050 0.000 0.849 461 L CB -0.650 41.380 42.059 -0.047 0.000 1.012 461 L HN 0.114 nan 8.230 nan 0.000 0.468 462 E N 0.853 121.015 120.200 -0.064 0.000 2.051 462 E HA -0.096 4.253 4.350 -0.001 0.000 0.189 462 E C 1.986 178.566 176.600 -0.033 0.000 0.979 462 E CA 1.325 57.693 56.400 -0.053 0.000 0.803 462 E CB 0.157 29.811 29.700 -0.078 0.000 0.761 462 E HN 0.388 nan 8.360 nan 0.000 0.451 463 V N 1.203 121.099 119.914 -0.031 0.000 2.548 463 V HA -0.140 3.980 4.120 -0.001 0.000 0.249 463 V C 2.375 178.467 176.094 -0.004 0.000 1.055 463 V CA 1.387 63.682 62.300 -0.009 0.000 1.065 463 V CB -0.476 31.346 31.823 -0.002 0.000 0.681 463 V HN 0.358 nan 8.190 nan 0.000 0.462 464 A N -0.072 122.739 122.820 -0.016 0.000 2.024 464 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 464 A C 2.179 179.753 177.584 -0.016 0.000 1.164 464 A CA 1.806 53.834 52.037 -0.015 0.000 0.643 464 A CB -0.349 18.636 19.000 -0.026 0.000 0.806 464 A HN 0.644 nan 8.150 nan 0.000 0.451 465 E N -0.322 119.866 120.200 -0.020 0.000 2.072 465 E HA -0.152 4.198 4.350 -0.001 0.000 0.190 465 E C 1.867 178.453 176.600 -0.024 0.000 0.982 465 E CA 1.126 57.511 56.400 -0.025 0.000 0.803 465 E CB -0.171 29.514 29.700 -0.025 0.000 0.755 465 E HN 0.749 nan 8.360 nan 0.000 0.453 466 E N 0.659 120.852 120.200 -0.012 0.000 2.204 466 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 466 E C 2.051 178.650 176.600 -0.003 0.000 0.989 466 E CA 0.687 57.081 56.400 -0.010 0.000 0.824 466 E CB -0.034 29.672 29.700 0.010 0.000 0.756 466 E HN 0.321 nan 8.360 nan 0.000 0.477 467 I N 1.064 121.657 120.570 0.038 0.000 2.277 467 I HA -0.165 4.005 4.170 -0.001 0.000 0.243 467 I C 2.569 178.702 176.117 0.027 0.000 1.094 467 I CA 0.788 62.163 61.300 0.127 0.000 1.393 467 I CB -0.341 37.727 38.000 0.114 0.000 1.078 467 I HN 0.042 nan 8.210 nan 0.000 0.417 468 A N 0.961 123.766 122.820 -0.024 0.000 2.019 468 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 468 A C 2.370 179.886 177.584 -0.113 0.000 1.164 468 A CA 1.432 53.425 52.037 -0.073 0.000 0.644 468 A CB -0.534 18.426 19.000 -0.067 0.000 0.805 468 A HN 0.344 nan 8.150 nan 0.000 0.449 469 R N -0.935 119.498 120.500 -0.112 0.000 2.075 469 R HA 0.112 4.451 4.340 -0.001 0.000 0.226 469 R C 1.570 177.755 176.300 -0.191 0.000 1.114 469 R CA 0.884 56.911 56.100 -0.123 0.000 0.972 469 R CB -0.218 30.027 30.300 -0.092 0.000 0.869 469 R HN 0.333 nan 8.270 nan 0.000 0.437 470 L N 0.748 121.779 121.223 -0.320 0.000 2.478 470 L HA -0.008 4.332 4.340 -0.001 0.000 0.223 470 L C 1.765 178.252 176.870 -0.637 0.000 1.140 470 L CA 1.352 55.858 54.840 -0.557 0.000 0.842 470 L CB -0.485 41.039 42.059 -0.892 0.000 0.953 470 L HN 0.283 nan 8.230 nan 0.000 0.452 471 E N -0.083 119.872 120.200 -0.409 0.000 2.170 471 E HA -0.038 4.312 4.350 -0.001 0.000 0.191 471 E C 2.086 178.578 176.600 -0.180 0.000 0.981 471 E CA 0.772 57.059 56.400 -0.187 0.000 0.830 471 E CB 0.290 29.932 29.700 -0.097 0.000 0.775 471 E HN 0.392 nan 8.360 nan 0.000 0.470 472 A N 0.502 123.219 122.820 -0.171 0.000 2.123 472 A HA -0.083 4.237 4.320 -0.001 0.000 0.214 472 A C 1.814 179.404 177.584 0.009 0.000 1.152 472 A CA 0.820 52.804 52.037 -0.088 0.000 0.728 472 A CB -0.062 18.884 19.000 -0.090 0.000 0.814 472 A HN 0.083 nan 8.150 nan 0.000 0.464 473 E N -0.136 120.038 120.200 -0.042 0.000 2.076 473 E HA -0.069 4.281 4.350 -0.001 0.000 0.190 473 E C 1.678 178.307 176.600 0.047 0.000 0.979 473 E CA 1.439 57.830 56.400 -0.015 0.000 0.807 473 E CB -0.118 29.535 29.700 -0.077 0.000 0.761 473 E HN 0.266 nan 8.360 nan 0.000 0.454 474 V N 0.371 120.327 119.914 0.070 0.000 2.719 474 V HA -0.085 4.035 4.120 -0.001 0.000 0.252 474 V C 1.750 177.968 176.094 0.207 0.000 1.065 474 V CA 1.010 63.392 62.300 0.137 0.000 1.086 474 V CB -0.529 31.381 31.823 0.145 0.000 0.700 474 V HN 0.210 nan 8.190 nan 0.000 0.467 475 F N 0.735 120.674 119.950 -0.019 0.000 2.325 475 F HA 0.033 4.560 4.527 0.000 0.000 0.299 475 F C 2.491 178.305 175.800 0.023 0.000 1.090 475 F CA 1.260 59.254 58.000 -0.011 0.000 1.392 475 F CB -0.245 38.732 39.000 -0.038 0.000 1.053 475 F HN -0.023 nan 8.300 nan 0.000 0.521 476 R N -0.058 120.547 120.500 0.176 0.000 2.090 476 R HA 0.000 4.340 4.340 -0.001 0.000 0.228 476 R C 0.488 176.834 176.300 0.076 0.000 1.110 476 R CA 0.612 56.774 56.100 0.104 0.000 0.973 476 R CB -0.105 30.241 30.300 0.076 0.000 0.869 476 R HN 0.182 nan 8.270 nan 0.000 0.440 477 L N -0.714 120.559 121.223 0.084 0.000 2.431 477 L HA 0.316 4.656 4.340 -0.001 0.000 0.260 477 L C 1.229 178.149 176.870 0.084 0.000 1.098 477 L CA 0.186 55.072 54.840 0.076 0.000 0.800 477 L CB 1.248 43.354 42.059 0.078 0.000 1.210 477 L HN 0.302 nan 8.230 nan 0.000 0.465 478 A N 0.603 123.469 122.820 0.076 0.000 3.930 478 A HA -0.195 4.124 4.320 -0.001 0.000 0.267 478 A C 1.365 179.037 177.584 0.147 0.000 0.971 478 A CA 1.705 53.792 52.037 0.085 0.000 1.197 478 A CB -2.189 16.846 19.000 0.059 0.000 1.073 478 A HN 1.812 nan 8.150 nan 0.000 0.871 479 G N -0.520 108.344 108.800 0.106 0.000 4.269 479 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.290 479 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.290 479 G C 0.052 175.014 174.900 0.104 0.000 1.570 479 G CA 1.095 46.266 45.100 0.118 0.000 1.072 479 G HN 2.564 nan 8.290 nan 0.000 0.681 480 H N 2.592 121.636 119.070 -0.043 0.000 2.928 480 H HA 0.528 5.084 4.556 0.000 0.000 0.338 480 H C -2.726 172.557 175.328 -0.076 0.000 1.047 480 H CA -1.002 55.013 56.048 -0.054 0.000 1.435 480 H CB -0.474 29.270 29.762 -0.030 0.000 1.428 480 H HN 0.325 nan 8.280 nan 0.000 0.590 481 P HA 0.144 nan 4.420 nan 0.000 0.282 481 P C -0.652 176.538 177.300 -0.184 0.000 1.262 481 P CA -0.089 62.684 63.100 -0.545 0.000 0.773 481 P CB 0.179 31.570 31.700 -0.514 0.000 0.879 482 F N -0.774 118.946 119.950 -0.384 0.000 2.679 482 F HA 0.705 5.232 4.527 -0.001 0.000 0.341 482 F C 0.056 175.839 175.800 -0.029 0.000 1.095 482 F CA -1.619 56.274 58.000 -0.179 0.000 1.004 482 F CB 0.317 39.175 39.000 -0.236 0.000 1.388 482 F HN 0.169 nan 8.300 nan 0.000 0.505 483 N N 0.367 119.126 118.700 0.100 0.000 2.437 483 N HA 0.671 5.410 4.740 -0.001 0.000 0.243 483 N C -0.372 175.138 175.510 0.000 0.000 1.041 483 N CA -0.097 52.958 53.050 0.008 0.000 0.940 483 N CB 0.143 38.669 38.487 0.065 0.000 1.133 483 N HN 1.142 nan 8.380 nan 0.000 0.506 484 L N 0.107 121.214 121.223 -0.193 0.000 2.479 484 L HA 0.778 5.118 4.340 -0.001 0.000 0.248 484 L C 1.880 178.746 176.870 -0.005 0.000 1.205 484 L CA 0.464 55.234 54.840 -0.116 0.000 0.817 484 L CB -1.045 40.887 42.059 -0.212 0.000 1.162 484 L HN 1.942 nan 8.230 nan 0.000 0.486 485 N N -2.053 116.664 118.700 0.028 0.000 2.805 485 N HA -0.029 4.710 4.740 -0.001 0.000 0.216 485 N C 1.303 176.831 175.510 0.030 0.000 0.930 485 N CA 2.055 55.111 53.050 0.010 0.000 1.376 485 N CB -1.961 36.502 38.487 -0.041 0.000 0.939 485 N HN 2.840 nan 8.380 nan 0.000 0.583 486 S N 0.374 116.102 115.700 0.047 0.000 2.455 486 S HA 0.718 5.188 4.470 -0.001 0.000 0.278 486 S C 1.675 176.312 174.600 0.061 0.000 1.216 486 S CA 1.320 59.548 58.200 0.047 0.000 1.055 486 S CB 0.415 63.644 63.200 0.047 0.000 0.939 486 S HN 1.894 nan 8.310 nan 0.000 0.494 487 R N 1.657 122.183 120.500 0.043 0.000 2.139 487 R HA -0.051 4.288 4.340 -0.001 0.000 0.243 487 R C 1.884 178.205 176.300 0.034 0.000 1.145 487 R CA 2.559 58.682 56.100 0.039 0.000 0.976 487 R CB -2.005 28.312 30.300 0.028 0.000 0.866 487 R HN 0.959 nan 8.270 nan 0.000 0.449 488 D N -1.771 118.648 120.400 0.030 0.000 2.194 488 D HA 0.063 4.702 4.640 -0.001 0.000 0.204 488 D C 2.186 178.499 176.300 0.022 0.000 0.964 488 D CA 1.639 55.650 54.000 0.018 0.000 0.846 488 D CB -0.397 40.411 40.800 0.013 0.000 0.962 488 D HN 0.721 nan 8.370 nan 0.000 0.490 489 Q N -0.635 119.198 119.800 0.056 0.000 2.408 489 Q HA 0.484 4.824 4.340 -0.001 0.000 0.205 489 Q C 2.179 178.223 176.000 0.074 0.000 0.919 489 Q CA 0.333 56.184 55.803 0.080 0.000 0.932 489 Q CB -0.478 28.352 28.738 0.154 0.000 1.058 489 Q HN 0.680 nan 8.270 nan 0.000 0.517 490 L N -0.059 121.218 121.223 0.088 0.000 2.240 490 L HA -0.056 4.284 4.340 -0.001 0.000 0.211 490 L C 2.232 179.094 176.870 -0.013 0.000 1.106 490 L CA 1.143 56.028 54.840 0.073 0.000 0.793 490 L CB 0.060 42.186 42.059 0.110 0.000 0.927 490 L HN 0.478 nan 8.230 nan 0.000 0.446 491 E N -0.378 119.821 120.200 -0.003 0.000 2.347 491 E HA -0.101 4.248 4.350 -0.001 0.000 0.196 491 E C 2.025 178.623 176.600 -0.004 0.000 1.008 491 E CA 0.187 56.586 56.400 -0.001 0.000 0.852 491 E CB 0.202 29.904 29.700 0.004 0.000 0.783 491 E HN 0.313 nan 8.360 nan 0.000 0.505 492 R N 0.184 120.655 120.500 -0.048 0.000 2.153 492 R HA -0.016 4.324 4.340 -0.001 0.000 0.218 492 R C 2.066 178.355 176.300 -0.017 0.000 1.072 492 R CA 0.593 56.665 56.100 -0.047 0.000 0.990 492 R CB -0.229 30.029 30.300 -0.070 0.000 0.889 492 R HN 0.119 nan 8.270 nan 0.000 0.452 493 V N 0.892 120.709 119.914 -0.162 0.000 2.878 493 V HA -0.031 4.088 4.120 -0.001 0.000 0.250 493 V C 2.111 178.159 176.094 -0.077 0.000 1.075 493 V CA 0.822 62.995 62.300 -0.213 0.000 1.096 493 V CB -0.244 31.231 31.823 -0.581 0.000 0.724 493 V HN 0.131 nan 8.190 nan 0.000 0.467 494 L N -1.136 120.065 121.223 -0.037 0.000 2.552 494 L HA -0.003 4.337 4.340 -0.001 0.000 0.227 494 L C 2.046 178.946 176.870 0.049 0.000 1.146 494 L CA 0.919 55.752 54.840 -0.012 0.000 0.858 494 L CB -0.388 41.669 42.059 -0.003 0.000 0.969 494 L HN 0.337 nan 8.230 nan 0.000 0.451 495 F N 0.426 120.330 119.950 -0.076 0.000 2.270 495 F HA -0.071 4.455 4.527 -0.001 0.000 0.295 495 F C 2.078 177.840 175.800 -0.063 0.000 1.087 495 F CA 1.127 59.091 58.000 -0.061 0.000 1.365 495 F CB 0.119 39.085 39.000 -0.056 0.000 1.056 495 F HN 0.088 nan 8.300 nan 0.000 0.506 496 D N 0.027 120.423 120.400 -0.007 0.000 2.110 496 D HA -0.083 4.557 4.640 -0.001 0.000 0.202 496 D C 0.331 176.561 176.300 -0.117 0.000 0.975 496 D CA 0.999 54.942 54.000 -0.094 0.000 0.839 496 D CB -0.261 40.525 40.800 -0.023 0.000 0.996 496 D HN 0.399 nan 8.370 nan 0.000 0.464 497 E N 1.197 121.344 120.200 -0.089 0.000 2.136 497 E HA 0.185 4.534 4.350 -0.001 0.000 0.246 497 E C -0.524 176.001 176.600 -0.125 0.000 1.017 497 E CA -0.460 55.874 56.400 -0.111 0.000 0.883 497 E CB 0.767 30.394 29.700 -0.122 0.000 1.199 497 E HN 0.002 nan 8.360 nan 0.000 0.447 498 L N 1.957 123.109 121.223 -0.119 0.000 2.513 498 L HA 0.220 4.560 4.340 -0.001 0.000 0.272 498 L C 0.537 177.361 176.870 -0.076 0.000 1.187 498 L CA 1.008 55.791 54.840 -0.095 0.000 0.895 498 L CB 0.460 42.456 42.059 -0.106 0.000 1.147 498 L HN 0.504 nan 8.230 nan 0.000 0.483 499 G N 5.821 114.588 108.800 -0.056 0.000 3.561 499 G HA2 0.261 4.220 3.960 -0.001 0.000 0.248 499 G HA3 0.261 4.220 3.960 -0.001 0.000 0.248 499 G C -1.356 173.541 174.900 -0.006 0.000 3.909 499 G CA -0.638 44.446 45.100 -0.026 0.000 0.463 499 G HN 0.496 nan 8.290 nan 0.000 0.270 500 L N 2.235 123.463 121.223 0.008 0.000 2.442 500 L HA 0.443 4.783 4.340 -0.001 0.000 0.261 500 L C -2.007 174.877 176.870 0.022 0.000 1.000 500 L CA -1.268 53.583 54.840 0.017 0.000 0.882 500 L CB 2.091 44.160 42.059 0.017 0.000 1.207 500 L HN 0.294 nan 8.230 nan 0.000 0.443 501 P HA 0.673 nan 4.420 nan 0.000 0.314 501 P C -0.854 176.460 177.300 0.024 0.000 1.306 501 P CA -0.598 62.517 63.100 0.026 0.000 0.782 501 P CB 0.883 32.601 31.700 0.030 0.000 1.337 502 A N -0.479 122.354 122.820 0.022 0.000 2.271 502 A HA 0.477 4.797 4.320 -0.001 0.000 0.288 502 A C 0.609 178.207 177.584 0.023 0.000 1.094 502 A CA -0.271 51.778 52.037 0.020 0.000 0.828 502 A CB -0.178 18.832 19.000 0.016 0.000 1.091 502 A HN 0.492 nan 8.150 nan 0.000 0.493 503 I N -1.696 118.887 120.570 0.023 0.000 3.194 503 I HA 0.591 4.761 4.170 -0.001 0.000 0.271 503 I C 1.115 177.247 176.117 0.025 0.000 1.150 503 I CA 0.584 61.900 61.300 0.026 0.000 1.440 503 I CB -0.792 37.224 38.000 0.028 0.000 1.276 503 I HN 1.026 nan 8.210 nan 0.000 0.457 504 G N 0.819 109.631 108.800 0.020 0.000 2.439 504 G HA2 0.039 3.998 3.960 -0.001 0.000 0.186 504 G HA3 0.039 3.998 3.960 -0.001 0.000 0.186 504 G C -0.254 174.654 174.900 0.014 0.000 1.260 504 G CA -0.262 44.848 45.100 0.017 0.000 1.020 504 G HN -0.019 nan 8.290 nan 0.000 0.470 505 K N 0.352 120.760 120.400 0.013 0.000 2.486 505 K HA 0.139 4.458 4.320 -0.001 0.000 0.194 505 K C 0.389 176.996 176.600 0.012 0.000 1.033 505 K CA 0.820 57.113 56.287 0.010 0.000 1.004 505 K CB -0.012 32.493 32.500 0.007 0.000 0.798 505 K HN 0.387 nan 8.250 nan 0.000 0.495 506 T N 3.381 117.944 114.554 0.016 0.000 2.738 506 T HA 0.029 4.379 4.350 -0.001 0.000 0.293 506 T C -0.428 174.280 174.700 0.015 0.000 0.913 506 T CA -0.483 61.627 62.100 0.017 0.000 1.103 506 T CB 0.324 69.206 68.868 0.022 0.000 0.880 506 T HN 0.243 nan 8.240 nan 0.000 0.526 507 E N 2.504 122.711 120.200 0.012 0.000 3.311 507 E HA -0.080 4.270 4.350 -0.001 0.000 0.264 507 E C 0.098 176.705 176.600 0.012 0.000 0.875 507 E CA 0.320 56.726 56.400 0.010 0.000 0.969 507 E CB 0.078 29.783 29.700 0.008 0.000 0.910 507 E HN 0.511 nan 8.360 nan 0.000 0.548 508 K N 2.118 122.525 120.400 0.010 0.000 2.264 508 K HA 0.519 4.838 4.320 -0.001 0.000 0.272 508 K C 0.977 177.582 176.600 0.009 0.000 1.003 508 K CA -0.122 56.172 56.287 0.011 0.000 1.266 508 K CB -0.584 31.923 32.500 0.012 0.000 1.820 508 K HN 0.764 nan 8.250 nan 0.000 0.818 509 T N -4.066 110.494 114.554 0.009 0.000 11.701 509 T HA -0.257 4.093 4.350 -0.001 0.000 0.417 509 T C 0.987 175.692 174.700 0.008 0.000 1.459 509 T CA 1.270 63.374 62.100 0.008 0.000 2.421 509 T CB -2.454 66.417 68.868 0.005 0.000 2.867 509 T HN 0.914 nan 8.240 nan 0.000 0.931 510 G N 0.834 109.639 108.800 0.008 0.000 2.651 510 G HA2 0.520 4.480 3.960 -0.001 0.000 0.260 510 G HA3 0.520 4.480 3.960 -0.001 0.000 0.260 510 G C 0.541 175.446 174.900 0.009 0.000 1.216 510 G CA 0.027 45.132 45.100 0.008 0.000 0.913 510 G HN 0.501 nan 8.290 nan 0.000 0.535 511 K N -0.890 119.515 120.400 0.009 0.000 2.361 511 K HA 0.108 4.427 4.320 -0.001 0.000 0.196 511 K C 2.370 178.977 176.600 0.012 0.000 1.039 511 K CA 0.172 56.465 56.287 0.010 0.000 1.001 511 K CB 0.155 32.660 32.500 0.008 0.000 0.795 511 K HN 0.428 nan 8.250 nan 0.000 0.495 512 R N 0.581 121.089 120.500 0.012 0.000 2.119 512 R HA -0.059 4.281 4.340 -0.001 0.000 0.222 512 R C 1.640 177.950 176.300 0.016 0.000 1.088 512 R CA 1.630 57.739 56.100 0.014 0.000 0.984 512 R CB -0.034 30.273 30.300 0.012 0.000 0.884 512 R HN 0.271 nan 8.270 nan 0.000 0.447 513 S N -0.177 115.532 115.700 0.015 0.000 2.447 513 S HA -0.093 4.376 4.470 -0.001 0.000 0.233 513 S C 1.484 176.096 174.600 0.020 0.000 1.006 513 S CA 1.236 59.446 58.200 0.017 0.000 0.957 513 S CB -0.407 62.802 63.200 0.016 0.000 0.773 513 S HN 0.437 nan 8.310 nan 0.000 0.507 514 T N -0.067 114.499 114.554 0.020 0.000 3.393 514 T HA 0.444 4.794 4.350 -0.001 0.000 0.248 514 T C 0.812 175.527 174.700 0.024 0.000 0.992 514 T CA 0.194 62.307 62.100 0.022 0.000 0.929 514 T CB -0.482 68.398 68.868 0.020 0.000 1.065 514 T HN 0.611 nan 8.240 nan 0.000 0.597 515 S N -2.267 113.448 115.700 0.024 0.000 2.583 515 S HA 0.514 4.983 4.470 -0.001 0.000 0.264 515 S C 1.469 176.084 174.600 0.024 0.000 1.008 515 S CA 0.102 58.316 58.200 0.024 0.000 1.435 515 S CB -0.421 62.792 63.200 0.021 0.000 1.236 515 S HN 0.508 nan 8.310 nan 0.000 0.669 516 A N 2.371 125.206 122.820 0.024 0.000 1.908 516 A HA 0.852 5.171 4.320 -0.001 0.000 0.217 516 A C 1.734 179.335 177.584 0.028 0.000 1.378 516 A CA 0.880 52.932 52.037 0.025 0.000 0.613 516 A CB -0.836 18.178 19.000 0.023 0.000 1.053 516 A HN 1.285 nan 8.150 nan 0.000 0.484 517 A N -0.811 122.026 122.820 0.029 0.000 2.631 517 A HA 0.558 4.878 4.320 -0.001 0.000 0.294 517 A C 0.162 177.767 177.584 0.034 0.000 1.156 517 A CA -0.104 51.952 52.037 0.032 0.000 0.963 517 A CB -0.291 18.728 19.000 0.032 0.000 1.202 517 A HN 0.537 nan 8.150 nan 0.000 0.523 518 V N 0.139 120.073 119.914 0.033 0.000 2.732 518 V HA 0.335 4.454 4.120 -0.001 0.000 0.297 518 V C 1.151 177.269 176.094 0.041 0.000 1.060 518 V CA 0.465 62.786 62.300 0.035 0.000 1.038 518 V CB 0.890 32.732 31.823 0.033 0.000 1.003 518 V HN 0.733 nan 8.190 nan 0.000 0.481 519 L N 2.876 124.126 121.223 0.044 0.000 5.174 519 L HA -0.183 4.157 4.340 -0.001 0.000 0.420 519 L C 1.828 178.730 176.870 0.054 0.000 0.973 519 L CA 1.777 56.648 54.840 0.051 0.000 1.381 519 L CB -1.425 40.667 42.059 0.055 0.000 1.819 519 L HN 0.807 nan 8.230 nan 0.000 0.645 520 E N -0.602 119.627 120.200 0.048 0.000 2.347 520 E HA 0.078 4.428 4.350 -0.001 0.000 0.196 520 E C 1.865 178.493 176.600 0.048 0.000 1.008 520 E CA 1.095 57.524 56.400 0.048 0.000 0.852 520 E CB 0.224 29.950 29.700 0.044 0.000 0.783 520 E HN 0.647 nan 8.360 nan 0.000 0.505 521 A N -0.436 122.412 122.820 0.048 0.000 2.229 521 A HA 0.092 4.412 4.320 -0.001 0.000 0.211 521 A C 1.678 179.293 177.584 0.052 0.000 1.193 521 A CA -0.079 51.986 52.037 0.046 0.000 0.879 521 A CB 0.200 19.226 19.000 0.043 0.000 0.911 521 A HN 0.116 nan 8.150 nan 0.000 0.492 522 L N 0.363 121.623 121.223 0.062 0.000 2.509 522 L HA 0.052 4.392 4.340 -0.001 0.000 0.222 522 L C 2.316 179.242 176.870 0.095 0.000 1.123 522 L CA 1.082 55.972 54.840 0.084 0.000 0.856 522 L CB -0.411 41.702 42.059 0.090 0.000 0.985 522 L HN 0.544 nan 8.230 nan 0.000 0.456 523 R N -0.655 119.888 120.500 0.073 0.000 2.237 523 R HA -0.058 4.282 4.340 -0.001 0.000 0.219 523 R C 1.122 177.451 176.300 0.049 0.000 1.080 523 R CA 0.840 56.981 56.100 0.068 0.000 0.995 523 R CB -0.505 29.830 30.300 0.058 0.000 0.875 523 R HN 0.206 nan 8.270 nan 0.000 0.462 524 E N 0.545 120.767 120.200 0.037 0.000 2.516 524 E HA 0.016 4.366 4.350 -0.001 0.000 0.199 524 E C 0.966 177.559 176.600 -0.011 0.000 1.069 524 E CA 0.904 57.313 56.400 0.015 0.000 0.876 524 E CB 0.748 30.456 29.700 0.014 0.000 0.843 524 E HN 0.600 nan 8.360 nan 0.000 0.530 525 A N -0.150 122.659 122.820 -0.020 0.000 1.876 525 A HA 0.150 4.469 4.320 -0.001 0.000 0.193 525 A C 0.273 177.744 177.584 -0.189 0.000 1.883 525 A CA -0.229 51.732 52.037 -0.126 0.000 1.052 525 A CB -0.135 18.760 19.000 -0.176 0.000 1.049 525 A HN 0.181 nan 8.150 nan 0.000 0.615 526 H N 0.320 119.401 119.070 0.018 0.000 2.582 526 H HA 0.371 4.926 4.556 -0.000 0.000 0.345 526 H C -1.950 173.393 175.328 0.026 0.000 1.104 526 H CA -1.191 54.870 56.048 0.021 0.000 1.390 526 H CB 1.049 30.825 29.762 0.023 0.000 1.461 526 H HN 0.161 nan 8.280 nan 0.000 0.551 527 P HA -0.044 nan 4.420 nan 0.000 0.235 527 P C 1.206 178.564 177.300 0.097 0.000 1.177 527 P CA 0.331 63.485 63.100 0.090 0.000 0.785 527 P CB 0.349 32.087 31.700 0.063 0.000 0.885 528 I N 0.471 121.112 120.570 0.118 0.000 2.315 528 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 528 I C 1.624 177.802 176.117 0.102 0.000 1.117 528 I CA 1.434 62.793 61.300 0.098 0.000 1.404 528 I CB -0.447 37.598 38.000 0.076 0.000 1.071 528 I HN -0.173 nan 8.210 nan 0.000 0.419 529 V N -2.797 117.181 119.914 0.107 0.000 3.541 529 V HA 0.127 4.247 4.120 -0.001 0.000 0.267 529 V C 2.041 178.193 176.094 0.096 0.000 1.213 529 V CA 0.769 63.129 62.300 0.100 0.000 1.149 529 V CB -0.613 31.266 31.823 0.093 0.000 0.822 529 V HN 0.304 nan 8.190 nan 0.000 0.462 530 E N 0.984 121.238 120.200 0.091 0.000 2.140 530 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 530 E C 1.595 178.239 176.600 0.074 0.000 0.973 530 E CA 0.473 56.918 56.400 0.075 0.000 0.829 530 E CB 0.056 29.792 29.700 0.061 0.000 0.781 530 E HN 0.480 nan 8.360 nan 0.000 0.466 531 K N 0.735 121.177 120.400 0.071 0.000 2.551 531 K HA 0.047 4.366 4.320 -0.001 0.000 0.192 531 K C 1.513 178.180 176.600 0.112 0.000 1.027 531 K CA 0.093 56.411 56.287 0.053 0.000 1.059 531 K CB 0.471 32.979 32.500 0.014 0.000 0.831 531 K HN 0.157 nan 8.250 nan 0.000 0.508 532 I N -0.230 120.430 120.570 0.151 0.000 4.032 532 I HA 0.041 4.211 4.170 -0.001 0.000 0.313 532 I C 1.293 177.510 176.117 0.166 0.000 1.272 532 I CA 0.438 61.864 61.300 0.210 0.000 1.307 532 I CB 0.334 38.435 38.000 0.168 0.000 1.155 532 I HN 0.008 nan 8.210 nan 0.000 0.431 533 L N -0.161 121.135 121.223 0.122 0.000 2.354 533 L HA 0.021 4.361 4.340 -0.001 0.000 0.212 533 L C 2.172 179.100 176.870 0.096 0.000 1.091 533 L CA 0.499 55.395 54.840 0.092 0.000 0.828 533 L CB -0.145 41.958 42.059 0.073 0.000 0.973 533 L HN 0.172 nan 8.230 nan 0.000 0.461 534 Q N -1.203 118.661 119.800 0.108 0.000 2.311 534 Q HA -0.145 4.195 4.340 -0.001 0.000 0.203 534 Q C 1.780 177.870 176.000 0.151 0.000 0.954 534 Q CA 0.866 56.726 55.803 0.096 0.000 0.885 534 Q CB 0.133 28.910 28.738 0.064 0.000 0.963 534 Q HN 0.399 nan 8.270 nan 0.000 0.471 535 Y N 1.010 121.318 120.300 0.012 0.000 2.395 535 Y HA 0.021 4.570 4.550 -0.001 0.000 0.293 535 Y C 1.867 177.768 175.900 0.001 0.000 1.123 535 Y CA 0.789 58.891 58.100 0.003 0.000 1.227 535 Y CB 0.167 38.627 38.460 0.001 0.000 1.012 535 Y HN -0.081 nan 8.280 nan 0.000 0.552 536 R N 0.173 120.728 120.500 0.091 0.000 2.235 536 R HA -0.077 4.263 4.340 -0.001 0.000 0.213 536 R C 1.360 177.671 176.300 0.017 0.000 1.059 536 R CA 0.963 57.063 56.100 -0.001 0.000 0.997 536 R CB 0.177 30.488 30.300 0.019 0.000 0.884 536 R HN 0.399 nan 8.270 nan 0.000 0.462 537 E N -0.188 120.044 120.200 0.054 0.000 2.340 537 E HA -0.030 4.320 4.350 -0.001 0.000 0.198 537 E C 1.762 178.396 176.600 0.056 0.000 0.961 537 E CA 0.146 56.575 56.400 0.050 0.000 0.905 537 E CB 0.043 29.773 29.700 0.051 0.000 0.884 537 E HN 0.107 nan 8.360 nan 0.000 0.491 538 L N 1.542 122.817 121.223 0.087 0.000 2.179 538 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 538 L C 1.074 177.991 176.870 0.079 0.000 1.096 538 L CA 1.321 56.217 54.840 0.093 0.000 0.779 538 L CB -0.040 42.100 42.059 0.136 0.000 0.922 538 L HN -0.026 nan 8.230 nan 0.000 0.443 539 T N -2.853 111.736 114.554 0.058 0.000 3.262 539 T HA 0.365 4.715 4.350 -0.001 0.000 0.374 539 T C 0.398 175.078 174.700 -0.035 0.000 1.504 539 T CA -0.676 61.420 62.100 -0.007 0.000 1.158 539 T CB 0.665 69.476 68.868 -0.095 0.000 1.157 539 T HN 0.118 nan 8.240 nan 0.000 0.644 540 K N 0.692 121.094 120.400 0.003 0.000 2.722 540 K HA 0.373 4.692 4.320 -0.001 0.000 0.239 540 K C 0.717 177.341 176.600 0.040 0.000 1.658 540 K CA 0.006 56.301 56.287 0.015 0.000 0.908 540 K CB -0.251 32.266 32.500 0.028 0.000 2.016 540 K HN 0.338 nan 8.250 nan 0.000 0.370 541 L N 0.571 121.827 121.223 0.054 0.000 3.683 541 L HA -0.317 4.023 4.340 -0.001 0.000 0.053 541 L C 0.607 177.530 176.870 0.088 0.000 4.276 541 L CA 2.065 56.950 54.840 0.075 0.000 0.727 541 L CB -1.160 40.943 42.059 0.074 0.000 3.467 541 L HN 0.205 nan 8.230 nan 0.000 0.839 542 K N 0.949 121.408 120.400 0.098 0.000 3.010 542 K HA 0.380 4.700 4.320 -0.001 0.000 0.211 542 K C -0.198 176.488 176.600 0.144 0.000 1.146 542 K CA 0.740 57.095 56.287 0.114 0.000 1.070 542 K CB 0.164 32.735 32.500 0.118 0.000 0.908 542 K HN 0.696 nan 8.250 nan 0.000 0.463 543 S N -0.299 115.465 115.700 0.106 0.000 3.368 543 S HA -0.256 4.213 4.470 -0.001 0.000 0.470 543 S C 0.755 175.409 174.600 0.091 0.000 0.774 543 S CA 1.416 59.672 58.200 0.094 0.000 1.368 543 S CB -2.420 60.840 63.200 0.099 0.000 0.978 543 S HN 0.854 nan 8.310 nan 0.000 0.717 544 T N -0.965 113.574 114.554 -0.025 0.000 12.655 544 T HA -0.390 3.960 4.350 -0.001 0.000 0.417 544 T C 0.603 175.195 174.700 -0.179 0.000 1.457 544 T CA 1.592 63.590 62.100 -0.170 0.000 2.398 544 T CB -2.499 66.182 68.868 -0.311 0.000 2.819 544 T HN 1.609 nan 8.240 nan 0.000 0.750 545 Y N 2.349 122.637 120.300 -0.020 0.000 2.385 545 Y HA 0.640 5.190 4.550 -0.001 0.000 0.346 545 Y C 1.215 177.113 175.900 -0.003 0.000 1.270 545 Y CA -0.551 57.541 58.100 -0.014 0.000 1.472 545 Y CB 0.402 38.855 38.460 -0.013 0.000 1.354 545 Y HN 0.451 nan 8.280 nan 0.000 0.611 546 I N 1.688 122.361 120.570 0.171 0.000 2.542 546 I HA 0.163 4.333 4.170 -0.001 0.000 0.278 546 I C -1.432 174.738 176.117 0.087 0.000 1.069 546 I CA -0.779 60.582 61.300 0.101 0.000 1.100 546 I CB 1.021 39.056 38.000 0.058 0.000 1.204 546 I HN 0.488 nan 8.210 nan 0.000 0.470 547 D N 8.049 128.495 120.400 0.076 0.000 2.363 547 D HA 0.141 4.781 4.640 -0.001 0.000 0.263 547 D C -2.228 174.088 176.300 0.028 0.000 1.258 547 D CA -0.579 53.443 54.000 0.037 0.000 0.907 547 D CB 0.470 41.283 40.800 0.022 0.000 1.107 547 D HN 0.219 nan 8.370 nan 0.000 0.495 548 P HA -0.032 nan 4.420 nan 0.000 0.260 548 P C 0.289 177.589 177.300 -0.000 0.000 1.207 548 P CA -0.196 62.908 63.100 0.006 0.000 0.780 548 P CB 0.552 32.252 31.700 0.001 0.000 0.789 549 L N 6.669 127.887 121.223 -0.008 0.000 2.156 549 L HA 0.019 4.359 4.340 -0.001 0.000 0.208 549 L C -0.725 176.131 176.870 -0.024 0.000 1.095 549 L CA 1.990 56.810 54.840 -0.033 0.000 0.770 549 L CB -1.693 40.310 42.059 -0.094 0.000 0.914 549 L HN 0.402 nan 8.230 nan 0.000 0.439 550 P HA 0.005 nan 4.420 nan 0.000 0.230 550 P C 0.545 177.860 177.300 0.026 0.000 1.168 550 P CA 0.905 64.005 63.100 0.001 0.000 0.793 550 P CB 0.193 31.893 31.700 0.000 0.000 0.851 551 D N -1.232 119.184 120.400 0.027 0.000 2.271 551 D HA 0.035 4.675 4.640 -0.001 0.000 0.206 551 D C 1.397 177.745 176.300 0.080 0.000 0.967 551 D CA 0.480 54.506 54.000 0.043 0.000 0.867 551 D CB -0.314 40.494 40.800 0.013 0.000 0.960 551 D HN 0.068 nan 8.370 nan 0.000 0.509 552 L N 0.865 122.127 121.223 0.065 0.000 2.627 552 L HA 0.213 4.553 4.340 -0.001 0.000 0.233 552 L C 0.040 177.098 176.870 0.312 0.000 1.144 552 L CA -0.066 54.836 54.840 0.102 0.000 0.892 552 L CB 0.199 42.270 42.059 0.020 0.000 1.039 552 L HN 0.040 nan 8.230 nan 0.000 0.442 553 I N -0.109 120.598 120.570 0.229 0.000 2.496 553 I HA -0.017 4.153 4.170 -0.001 0.000 0.285 553 I C 0.684 176.926 176.117 0.209 0.000 1.080 553 I CA -0.162 61.237 61.300 0.166 0.000 1.404 553 I CB 0.508 38.541 38.000 0.055 0.000 1.403 553 I HN 0.036 nan 8.210 nan 0.000 0.539 554 H N 9.168 128.225 119.070 -0.022 0.000 2.848 554 H HA 0.091 4.646 4.556 -0.000 0.000 0.341 554 H C -1.566 173.618 175.328 -0.239 0.000 1.060 554 H CA -1.194 54.635 56.048 -0.366 0.000 1.444 554 H CB 1.404 30.974 29.762 -0.320 0.000 1.446 554 H HN 0.392 nan 8.280 nan 0.000 0.583 555 P HA -0.008 nan 4.420 nan 0.000 0.242 555 P C 0.754 178.052 177.300 -0.004 0.000 1.197 555 P CA 0.765 63.817 63.100 -0.079 0.000 0.765 555 P CB 0.502 32.129 31.700 -0.120 0.000 0.936 556 R N -0.329 120.227 120.500 0.093 0.000 2.102 556 R HA 0.060 4.399 4.340 -0.001 0.000 0.208 556 R C 2.452 178.731 176.300 -0.035 0.000 1.131 556 R CA 1.783 57.893 56.100 0.016 0.000 1.054 556 R CB -0.802 29.485 30.300 -0.021 0.000 0.954 556 R HN 0.230 nan 8.270 nan 0.000 0.465 557 T N -2.938 111.587 114.554 -0.047 0.000 2.925 557 T HA 0.183 4.533 4.350 -0.001 0.000 0.245 557 T C 1.505 176.182 174.700 -0.038 0.000 1.025 557 T CA 0.881 62.950 62.100 -0.051 0.000 1.149 557 T CB 0.269 69.118 68.868 -0.032 0.000 0.866 557 T HN 0.402 nan 8.240 nan 0.000 0.437 558 G N 1.514 110.303 108.800 -0.019 0.000 2.138 558 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.193 558 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.193 558 G C 0.007 174.864 174.900 -0.072 0.000 0.998 558 G CA -0.258 44.821 45.100 -0.035 0.000 0.668 558 G HN 0.727 nan 8.290 nan 0.000 0.516 559 R N -0.970 119.451 120.500 -0.132 0.000 2.807 559 R HA 0.666 5.006 4.340 -0.001 0.000 0.276 559 R C -0.659 175.377 176.300 -0.439 0.000 0.979 559 R CA -1.112 54.858 56.100 -0.216 0.000 0.928 559 R CB 1.853 32.054 30.300 -0.166 0.000 1.191 559 R HN 0.154 nan 8.270 nan 0.000 0.471 560 L N 3.225 124.289 121.223 -0.266 0.000 2.361 560 L HA 0.162 4.502 4.340 -0.001 0.000 0.278 560 L C -0.674 176.083 176.870 -0.189 0.000 1.113 560 L CA 0.241 54.968 54.840 -0.187 0.000 0.849 560 L CB 0.170 42.208 42.059 -0.034 0.000 1.155 560 L HN 0.440 nan 8.230 nan 0.000 0.452 561 H N 3.581 122.753 119.070 0.170 0.000 2.556 561 H HA 0.380 4.935 4.556 -0.001 0.000 0.310 561 H C -0.504 174.880 175.328 0.093 0.000 1.057 561 H CA -0.536 55.597 56.048 0.143 0.000 1.264 561 H CB 0.819 30.688 29.762 0.177 0.000 1.404 561 H HN 0.537 nan 8.280 nan 0.000 0.462 562 T N 4.580 119.215 114.554 0.136 0.000 2.771 562 T HA 0.355 4.704 4.350 -0.001 0.000 0.281 562 T C 0.723 175.275 174.700 -0.248 0.000 0.982 562 T CA -0.858 61.172 62.100 -0.116 0.000 0.978 562 T CB 1.193 69.888 68.868 -0.287 0.000 0.930 562 T HN 0.382 nan 8.240 nan 0.000 0.447 563 R N 2.111 122.463 120.500 -0.246 0.000 2.234 563 R HA 0.376 4.716 4.340 -0.001 0.000 0.324 563 R C -0.970 175.146 176.300 -0.307 0.000 1.054 563 R CA -0.276 55.731 56.100 -0.154 0.000 0.912 563 R CB 0.370 30.640 30.300 -0.051 0.000 1.030 563 R HN 0.470 nan 8.270 nan 0.000 0.455 564 F N 1.935 121.905 119.950 0.033 0.000 2.361 564 F HA 0.219 4.745 4.527 -0.000 0.000 0.364 564 F C 0.657 176.455 175.800 -0.004 0.000 1.117 564 F CA -0.853 57.157 58.000 0.016 0.000 1.071 564 F CB 0.944 39.953 39.000 0.015 0.000 1.188 564 F HN 0.369 nan 8.300 nan 0.000 0.464 565 N N 2.995 121.771 118.700 0.127 0.000 2.488 565 N HA 0.033 4.773 4.740 -0.001 0.000 0.274 565 N C 0.797 176.317 175.510 0.016 0.000 1.111 565 N CA 0.233 53.306 53.050 0.040 0.000 0.974 565 N CB 1.317 39.798 38.487 -0.010 0.000 1.089 565 N HN 0.782 nan 8.380 nan 0.000 0.465 566 Q N 1.643 121.422 119.800 -0.035 0.000 2.245 566 Q HA -0.075 4.264 4.340 -0.001 0.000 0.201 566 Q C 1.217 177.062 176.000 -0.259 0.000 0.955 566 Q CA 1.208 56.966 55.803 -0.075 0.000 0.870 566 Q CB 0.294 29.004 28.738 -0.046 0.000 0.945 566 Q HN 0.845 nan 8.270 nan 0.000 0.461 567 T N -2.632 111.674 114.554 -0.414 0.000 3.266 567 T HA 0.343 4.693 4.350 -0.001 0.000 0.215 567 T C 1.572 175.964 174.700 -0.514 0.000 0.957 567 T CA 0.836 62.371 62.100 -0.941 0.000 1.730 567 T CB -0.850 67.600 68.868 -0.698 0.000 1.427 567 T HN 0.324 nan 8.240 nan 0.000 0.445 568 A N 1.438 124.109 122.820 -0.248 0.000 2.821 568 A HA -0.295 4.024 4.320 -0.001 0.000 0.370 568 A C 1.521 179.118 177.584 0.022 0.000 1.684 568 A CA 3.526 55.518 52.037 -0.076 0.000 0.999 568 A CB -3.011 15.964 19.000 -0.041 0.000 1.490 568 A HN 1.852 nan 8.150 nan 0.000 0.672 569 T N -2.113 112.477 114.554 0.060 0.000 2.791 569 T HA 0.538 4.887 4.350 -0.001 0.000 0.323 569 T C 1.099 175.932 174.700 0.221 0.000 1.082 569 T CA 0.774 62.950 62.100 0.127 0.000 1.084 569 T CB 1.222 70.163 68.868 0.123 0.000 0.992 569 T HN 1.925 nan 8.240 nan 0.000 0.547 570 A N 1.101 124.020 122.820 0.165 0.000 1.956 570 A HA 0.130 4.449 4.320 -0.001 0.000 0.212 570 A C 2.550 180.212 177.584 0.130 0.000 1.188 570 A CA 1.062 53.189 52.037 0.151 0.000 0.675 570 A CB -1.165 17.897 19.000 0.103 0.000 0.845 570 A HN 1.025 nan 8.150 nan 0.000 0.455 571 T N -3.514 111.117 114.554 0.129 0.000 2.732 571 T HA 0.327 4.677 4.350 -0.001 0.000 0.261 571 T C 1.393 176.174 174.700 0.136 0.000 1.040 571 T CA 1.670 63.842 62.100 0.120 0.000 1.145 571 T CB -0.375 68.563 68.868 0.116 0.000 0.866 571 T HN 1.522 nan 8.240 nan 0.000 0.427 572 G N 0.988 109.895 108.800 0.179 0.000 2.332 572 G HA2 0.022 3.981 3.960 -0.001 0.000 0.216 572 G HA3 0.022 3.981 3.960 -0.001 0.000 0.216 572 G C -0.051 174.951 174.900 0.170 0.000 1.041 572 G CA -0.707 44.520 45.100 0.212 0.000 0.836 572 G HN 0.586 nan 8.290 nan 0.000 0.530 573 R N -0.627 119.960 120.500 0.146 0.000 2.549 573 R HA 0.733 5.072 4.340 -0.001 0.000 0.259 573 R C -0.060 176.299 176.300 0.099 0.000 1.095 573 R CA -0.693 55.475 56.100 0.113 0.000 1.148 573 R CB 0.928 31.286 30.300 0.097 0.000 1.181 573 R HN 0.131 nan 8.270 nan 0.000 0.571 574 L N 1.084 122.364 121.223 0.094 0.000 2.287 574 L HA 0.220 4.560 4.340 -0.001 0.000 0.280 574 L C 0.163 177.134 176.870 0.168 0.000 1.055 574 L CA -0.294 54.615 54.840 0.115 0.000 0.863 574 L CB 1.459 43.570 42.059 0.086 0.000 1.245 574 L HN 0.488 nan 8.230 nan 0.000 0.432 575 S N 1.773 117.545 115.700 0.119 0.000 2.505 575 S HA 0.335 4.805 4.470 -0.001 0.000 0.276 575 S C 0.419 175.075 174.600 0.093 0.000 1.274 575 S CA -0.731 57.522 58.200 0.089 0.000 1.053 575 S CB 0.573 63.797 63.200 0.039 0.000 0.919 575 S HN 0.649 nan 8.310 nan 0.000 0.490 576 S N 3.692 119.421 115.700 0.048 0.000 2.669 576 S HA 0.802 5.272 4.470 -0.001 0.000 0.270 576 S C -0.510 174.013 174.600 -0.127 0.000 1.225 576 S CA -0.651 57.463 58.200 -0.143 0.000 0.991 576 S CB 1.220 64.290 63.200 -0.215 0.000 0.987 576 S HN 1.068 nan 8.310 nan 0.000 0.552 577 S N -1.225 114.359 115.700 -0.194 0.000 2.563 577 S HA 0.481 4.950 4.470 -0.001 0.000 0.279 577 S C -1.083 173.452 174.600 -0.110 0.000 1.155 577 S CA -0.674 57.460 58.200 -0.109 0.000 0.928 577 S CB 0.746 63.902 63.200 -0.073 0.000 1.107 577 S HN 1.030 nan 8.310 nan 0.000 0.462 578 D N 1.421 121.784 120.400 -0.062 0.000 2.990 578 D HA -0.084 4.555 4.640 -0.001 0.000 0.245 578 D C -2.507 173.785 176.300 -0.014 0.000 1.120 578 D CA 0.770 54.750 54.000 -0.034 0.000 0.838 578 D CB -0.197 40.586 40.800 -0.029 0.000 1.000 578 D HN 0.488 nan 8.370 nan 0.000 0.420 579 P HA 0.234 nan 4.420 nan 0.000 0.290 579 P C -0.618 176.679 177.300 -0.004 0.000 1.283 579 P CA -0.736 62.382 63.100 0.031 0.000 0.869 579 P CB 0.952 32.723 31.700 0.118 0.000 1.100 580 N N 1.946 120.650 118.700 0.007 0.000 2.605 580 N HA 0.097 4.837 4.740 -0.001 0.000 0.258 580 N C 0.668 176.204 175.510 0.043 0.000 1.156 580 N CA -0.011 53.040 53.050 0.002 0.000 1.008 580 N CB -0.792 37.697 38.487 0.005 0.000 1.354 580 N HN 0.324 nan 8.380 nan 0.000 0.509 581 L N 1.533 122.790 121.223 0.056 0.000 2.627 581 L HA 0.053 4.392 4.340 -0.001 0.000 0.233 581 L C 1.880 178.819 176.870 0.116 0.000 1.144 581 L CA 0.048 54.956 54.840 0.114 0.000 0.892 581 L CB -0.016 42.135 42.059 0.154 0.000 1.039 581 L HN 0.423 nan 8.230 nan 0.000 0.442 582 Q N 0.955 120.786 119.800 0.052 0.000 2.123 582 Q HA -0.038 4.302 4.340 -0.001 0.000 0.199 582 Q C 0.394 176.334 176.000 -0.101 0.000 0.966 582 Q CA 1.263 57.035 55.803 -0.053 0.000 0.845 582 Q CB 0.311 29.021 28.738 -0.046 0.000 0.907 582 Q HN 0.316 nan 8.270 nan 0.000 0.439 583 N N 0.596 119.319 118.700 0.039 0.000 2.800 583 N HA 0.288 5.027 4.740 -0.001 0.000 0.240 583 N C -1.186 174.409 175.510 0.142 0.000 1.096 583 N CA -0.071 53.050 53.050 0.119 0.000 0.877 583 N CB 0.925 39.462 38.487 0.083 0.000 1.138 583 N HN 0.184 nan 8.380 nan 0.000 0.509 584 I N 1.994 122.680 120.570 0.194 0.000 2.441 584 I HA 0.343 4.513 4.170 -0.001 0.000 0.295 584 I C -1.905 174.259 176.117 0.079 0.000 0.994 584 I CA -2.123 59.243 61.300 0.109 0.000 1.144 584 I CB 2.230 40.266 38.000 0.061 0.000 1.314 584 I HN 0.044 nan 8.210 nan 0.000 0.445 585 P HA 0.107 nan 4.420 nan 0.000 0.274 585 P C -0.407 176.879 177.300 -0.023 0.000 1.291 585 P CA -0.094 63.017 63.100 0.019 0.000 0.815 585 P CB 0.536 32.250 31.700 0.024 0.000 0.897 586 V N 0.983 120.870 119.914 -0.046 0.000 2.863 586 V HA 0.445 4.565 4.120 -0.001 0.000 0.307 586 V C 1.135 177.187 176.094 -0.070 0.000 1.061 586 V CA -0.890 61.360 62.300 -0.083 0.000 1.024 586 V CB 0.525 32.277 31.823 -0.119 0.000 1.049 586 V HN 0.599 nan 8.190 nan 0.000 0.471 587 R N -0.606 119.849 120.500 -0.075 0.000 4.000 587 R HA -0.149 4.191 4.340 -0.001 0.000 0.362 587 R C 0.372 176.646 176.300 -0.044 0.000 1.183 587 R CA 1.202 57.267 56.100 -0.060 0.000 1.011 587 R CB -2.470 27.791 30.300 -0.064 0.000 1.501 587 R HN 1.180 nan 8.270 nan 0.000 0.553 588 T N -3.689 110.842 114.554 -0.038 0.000 2.823 588 T HA 0.478 4.828 4.350 -0.001 0.000 0.279 588 T C -2.008 172.684 174.700 -0.014 0.000 0.998 588 T CA -2.221 59.867 62.100 -0.021 0.000 0.994 588 T CB 2.384 71.246 68.868 -0.011 0.000 0.960 588 T HN -0.296 nan 8.240 nan 0.000 0.448 589 P HA 0.078 nan 4.420 nan 0.000 0.231 589 P C 1.010 178.321 177.300 0.017 0.000 1.158 589 P CA 0.546 63.649 63.100 0.006 0.000 0.763 589 P CB 0.039 31.745 31.700 0.009 0.000 0.805 590 L N -2.136 119.098 121.223 0.017 0.000 2.200 590 L HA 0.132 4.471 4.340 -0.001 0.000 0.200 590 L C 2.497 179.385 176.870 0.030 0.000 1.072 590 L CA 1.339 56.197 54.840 0.030 0.000 0.787 590 L CB -1.241 40.838 42.059 0.032 0.000 0.957 590 L HN -0.024 nan 8.230 nan 0.000 0.459 591 G N -1.193 107.612 108.800 0.009 0.000 2.572 591 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 591 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 591 G C 1.464 176.337 174.900 -0.046 0.000 1.133 591 G CA 0.126 45.221 45.100 -0.009 0.000 0.791 591 G HN 0.199 nan 8.290 nan 0.000 0.538 592 Q N 0.003 119.780 119.800 -0.038 0.000 2.245 592 Q HA 0.182 4.521 4.340 -0.001 0.000 0.201 592 Q C 2.596 178.592 176.000 -0.006 0.000 0.955 592 Q CA 0.622 56.390 55.803 -0.060 0.000 0.870 592 Q CB -0.011 28.701 28.738 -0.045 0.000 0.945 592 Q HN 0.376 nan 8.270 nan 0.000 0.461 593 R N -0.584 119.949 120.500 0.054 0.000 2.236 593 R HA 0.092 4.431 4.340 -0.001 0.000 0.208 593 R C 1.684 178.108 176.300 0.207 0.000 1.036 593 R CA 0.672 56.856 56.100 0.140 0.000 1.001 593 R CB 0.017 30.410 30.300 0.156 0.000 0.896 593 R HN 0.296 nan 8.270 nan 0.000 0.464 594 I N 0.164 120.830 120.570 0.159 0.000 2.500 594 I HA -0.150 4.020 4.170 -0.001 0.000 0.252 594 I C 2.031 178.350 176.117 0.338 0.000 1.142 594 I CA 0.948 62.391 61.300 0.237 0.000 1.451 594 I CB -0.100 38.014 38.000 0.190 0.000 1.093 594 I HN 0.043 nan 8.210 nan 0.000 0.430 595 R N 0.482 121.082 120.500 0.167 0.000 2.189 595 R HA -0.095 4.244 4.340 -0.001 0.000 0.218 595 R C 2.230 178.738 176.300 0.347 0.000 1.074 595 R CA 0.519 56.736 56.100 0.196 0.000 0.991 595 R CB -0.264 29.835 30.300 -0.334 0.000 0.883 595 R HN 0.127 nan 8.270 nan 0.000 0.457 596 R N 1.447 122.043 120.500 0.159 0.000 2.189 596 R HA -0.016 4.324 4.340 -0.001 0.000 0.223 596 R C 1.763 178.033 176.300 -0.049 0.000 1.092 596 R CA 1.450 57.530 56.100 -0.033 0.000 0.989 596 R CB -0.392 29.728 30.300 -0.299 0.000 0.876 596 R HN 0.195 nan 8.270 nan 0.000 0.457 597 A N -0.645 122.262 122.820 0.145 0.000 2.066 597 A HA 0.067 4.387 4.320 -0.001 0.000 0.218 597 A C 0.127 177.713 177.584 0.003 0.000 1.157 597 A CA 0.316 52.406 52.037 0.087 0.000 0.670 597 A CB -0.320 nan 19.000 nan 0.000 0.804 597 A HN 0.210 nan 8.150 nan 0.000 0.453 598 F N 1.143 121.190 119.950 0.161 0.000 2.405 598 F HA 0.458 4.984 4.527 -0.001 0.000 0.358 598 F C 0.527 176.383 175.800 0.093 0.000 1.151 598 F CA -0.790 57.296 58.000 0.144 0.000 1.161 598 F CB 0.215 39.357 39.000 0.237 0.000 1.245 598 F HN 0.244 nan 8.300 nan 0.000 0.545 599 I N 0.008 120.662 120.570 0.141 0.000 3.654 599 I HA 1.015 5.185 4.170 -0.001 0.000 0.278 599 I C -0.062 176.095 176.117 0.066 0.000 1.193 599 I CA -1.186 60.171 61.300 0.095 0.000 1.087 599 I CB 1.152 39.181 38.000 0.049 0.000 1.372 599 I HN 0.392 nan 8.210 nan 0.000 0.507 600 A N 0.291 123.145 122.820 0.057 0.000 3.184 600 A HA 0.671 4.990 4.320 -0.001 0.000 0.206 600 A C -0.401 177.188 177.584 0.007 0.000 1.262 600 A CA -0.304 51.761 52.037 0.045 0.000 0.891 600 A CB 0.473 19.544 19.000 0.118 0.000 1.526 600 A HN 0.747 nan 8.150 nan 0.000 0.508 601 E N -1.159 119.028 120.200 -0.021 0.000 2.405 601 E HA 0.281 4.630 4.350 -0.001 0.000 0.253 601 E C 0.581 177.207 176.600 0.044 0.000 1.257 601 E CA 0.163 56.516 56.400 -0.079 0.000 0.960 601 E CB 0.478 29.968 29.700 -0.350 0.000 1.077 601 E HN 0.533 nan 8.360 nan 0.000 0.512 602 E N -0.845 119.378 120.200 0.038 0.000 2.333 602 E HA -0.010 4.340 4.350 -0.001 0.000 0.198 602 E C 0.842 177.515 176.600 0.121 0.000 1.007 602 E CA 1.401 57.842 56.400 0.069 0.000 0.845 602 E CB -0.060 29.668 29.700 0.046 0.000 0.766 602 E HN 0.508 nan 8.360 nan 0.000 0.507 603 G N -1.881 107.054 108.800 0.225 0.000 3.581 603 G HA2 0.073 4.033 3.960 -0.001 0.000 0.248 603 G HA3 0.073 4.033 3.960 -0.001 0.000 0.248 603 G C -0.638 174.438 174.900 0.293 0.000 1.037 603 G CA -0.578 44.661 45.100 0.231 0.000 0.902 603 G HN -0.048 nan 8.290 nan 0.000 0.512 604 W N 0.548 121.849 121.300 0.002 0.000 2.436 604 W HA 0.801 5.461 4.660 -0.000 0.000 0.347 604 W C -0.044 176.477 176.519 0.003 0.000 1.136 604 W CA -0.951 56.394 57.345 0.000 0.000 1.286 604 W CB 0.961 30.420 29.460 -0.001 0.000 1.253 604 W HN -0.237 nan 8.180 nan 0.000 0.617 605 L N 2.350 123.694 121.223 0.202 0.000 2.354 605 L HA 0.507 4.846 4.340 -0.001 0.000 0.269 605 L C -0.464 176.474 176.870 0.115 0.000 1.005 605 L CA -1.214 53.699 54.840 0.121 0.000 0.819 605 L CB 1.463 43.558 42.059 0.059 0.000 1.311 605 L HN 0.083 nan 8.230 nan 0.000 0.423 606 L N 2.947 124.224 121.223 0.090 0.000 2.290 606 L HA 0.360 4.700 4.340 -0.001 0.000 0.284 606 L C -0.550 176.350 176.870 0.050 0.000 1.078 606 L CA -0.609 54.269 54.840 0.063 0.000 0.815 606 L CB 1.442 43.530 42.059 0.048 0.000 1.162 606 L HN 0.285 nan 8.230 nan 0.000 0.435 607 V N 3.542 123.475 119.914 0.031 0.000 2.257 607 V HA 0.405 4.525 4.120 -0.001 0.000 0.269 607 V C 0.452 176.556 176.094 0.016 0.000 1.040 607 V CA -0.541 61.773 62.300 0.024 0.000 0.813 607 V CB 1.063 32.893 31.823 0.010 0.000 1.065 607 V HN 0.818 nan 8.190 nan 0.000 0.457 608 A N 6.174 129.022 122.820 0.047 0.000 2.276 608 A HA 0.856 5.175 4.320 -0.001 0.000 0.300 608 A C -0.757 176.861 177.584 0.057 0.000 1.235 608 A CA -0.254 51.825 52.037 0.070 0.000 0.867 608 A CB 0.369 19.487 19.000 0.197 0.000 1.137 608 A HN 0.684 nan 8.150 nan 0.000 0.527 609 L N 2.194 123.426 121.223 0.015 0.000 2.346 609 L HA 0.623 4.963 4.340 -0.001 0.000 0.274 609 L C -0.345 176.495 176.870 -0.049 0.000 1.007 609 L CA -0.155 54.667 54.840 -0.031 0.000 0.818 609 L CB 2.179 44.185 42.059 -0.088 0.000 1.284 609 L HN 0.784 nan 8.230 nan 0.000 0.424 610 D N 0.027 120.399 120.400 -0.045 0.000 2.738 610 D HA 0.355 4.995 4.640 -0.001 0.000 0.237 610 D C -1.401 174.893 176.300 -0.010 0.000 1.123 610 D CA -0.440 53.552 54.000 -0.014 0.000 0.856 610 D CB 1.165 42.006 40.800 0.069 0.000 1.552 610 D HN 0.211 nan 8.370 nan 0.000 0.480 611 Y N 1.866 122.211 120.300 0.075 0.000 2.587 611 Y HA 0.220 4.769 4.550 -0.001 0.000 0.344 611 Y C 0.542 176.479 175.900 0.062 0.000 1.061 611 Y CA -0.127 58.009 58.100 0.060 0.000 1.370 611 Y CB 0.719 39.216 38.460 0.062 0.000 1.163 611 Y HN 0.212 nan 8.280 nan 0.000 0.527 612 S N 4.966 120.797 115.700 0.218 0.000 2.405 612 S HA 0.098 4.568 4.470 -0.001 0.000 0.291 612 S C -0.057 174.619 174.600 0.126 0.000 1.137 612 S CA -0.710 57.580 58.200 0.151 0.000 1.061 612 S CB -0.074 63.198 63.200 0.119 0.000 1.001 612 S HN 0.714 nan 8.310 nan 0.000 0.507 613 Q N 0.950 120.830 119.800 0.133 0.000 2.443 613 Q HA -0.213 4.126 4.340 -0.001 0.000 0.337 613 Q C 0.533 176.536 176.000 0.006 0.000 1.401 613 Q CA 0.295 56.164 55.803 0.110 0.000 0.943 613 Q CB -1.573 27.249 28.738 0.141 0.000 1.177 613 Q HN 0.818 nan 8.270 nan 0.000 0.394 614 I N -0.627 119.946 120.570 0.005 0.000 2.584 614 I HA -0.177 3.993 4.170 -0.001 0.000 0.255 614 I C 1.748 177.811 176.117 -0.090 0.000 1.145 614 I CA 1.038 62.275 61.300 -0.106 0.000 1.462 614 I CB 0.201 38.097 38.000 -0.174 0.000 1.102 614 I HN 0.367 nan 8.210 nan 0.000 0.433 615 E N 0.474 120.675 120.200 0.001 0.000 2.268 615 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 615 E C 1.971 178.579 176.600 0.013 0.000 0.995 615 E CA 0.926 57.341 56.400 0.025 0.000 0.836 615 E CB 0.079 29.826 29.700 0.079 0.000 0.763 615 E HN 0.529 nan 8.360 nan 0.000 0.491 616 L N -0.267 120.966 121.223 0.016 0.000 2.416 616 L HA 0.067 4.406 4.340 -0.001 0.000 0.216 616 L C 2.295 179.137 176.870 -0.046 0.000 1.098 616 L CA 0.261 55.141 54.840 0.067 0.000 0.840 616 L CB 0.086 42.273 42.059 0.214 0.000 0.981 616 L HN -0.057 nan 8.230 nan 0.000 0.462 617 R N -0.660 119.655 120.500 -0.308 0.000 2.075 617 R HA -0.036 4.303 4.340 -0.001 0.000 0.226 617 R C 2.176 178.315 176.300 -0.267 0.000 1.114 617 R CA 0.844 56.610 56.100 -0.557 0.000 0.972 617 R CB -0.134 29.772 30.300 -0.656 0.000 0.869 617 R HN 0.098 nan 8.270 nan 0.000 0.437 618 V N 1.276 121.080 119.914 -0.183 0.000 2.626 618 V HA -0.187 3.933 4.120 -0.001 0.000 0.252 618 V C 2.051 178.036 176.094 -0.182 0.000 1.067 618 V CA 1.159 63.388 62.300 -0.118 0.000 1.081 618 V CB -0.319 31.463 31.823 -0.067 0.000 0.686 618 V HN 0.237 nan 8.190 nan 0.000 0.468 619 L N 0.581 121.676 121.223 -0.214 0.000 2.201 619 L HA -0.042 4.298 4.340 -0.001 0.000 0.212 619 L C 2.316 178.940 176.870 -0.411 0.000 1.105 619 L CA 2.053 56.665 54.840 -0.379 0.000 0.775 619 L CB -0.516 41.426 42.059 -0.195 0.000 0.913 619 L HN 0.240 nan 8.230 nan 0.000 0.440 620 A N -2.197 120.503 122.820 -0.200 0.000 2.030 620 A HA -0.148 4.172 4.320 -0.001 0.000 0.215 620 A C 2.108 179.633 177.584 -0.099 0.000 1.164 620 A CA 1.014 52.981 52.037 -0.116 0.000 0.697 620 A CB -0.685 18.352 19.000 0.062 0.000 0.827 620 A HN 0.592 nan 8.150 nan 0.000 0.457 621 H N 0.100 119.044 119.070 -0.210 0.000 2.363 621 H HA 0.150 4.705 4.556 -0.001 0.000 0.301 621 H C 1.539 176.750 175.328 -0.195 0.000 1.074 621 H CA 1.599 57.544 56.048 -0.171 0.000 1.354 621 H CB -0.142 29.531 29.762 -0.148 0.000 1.397 621 H HN 0.336 nan 8.280 nan 0.000 0.516 622 L N -0.052 120.964 121.223 -0.345 0.000 2.395 622 L HA -0.013 4.327 4.340 -0.001 0.000 0.218 622 L C 2.293 178.924 176.870 -0.399 0.000 1.130 622 L CA 0.967 55.595 54.840 -0.353 0.000 0.826 622 L CB -0.154 41.776 42.059 -0.215 0.000 0.941 622 L HN 0.366 nan 8.230 nan 0.000 0.451 623 S N -1.070 114.309 115.700 -0.535 0.000 2.452 623 S HA 0.190 4.660 4.470 -0.001 0.000 0.225 623 S C 1.505 176.032 174.600 -0.122 0.000 1.057 623 S CA 0.490 58.492 58.200 -0.331 0.000 0.949 623 S CB 0.302 63.266 63.200 -0.394 0.000 0.836 623 S HN 0.351 nan 8.310 nan 0.000 0.518 624 G N 1.893 110.614 108.800 -0.131 0.000 2.255 624 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.239 624 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.239 624 G C -0.521 174.363 174.900 -0.027 0.000 1.083 624 G CA 0.084 45.145 45.100 -0.064 0.000 0.826 624 G HN 0.628 nan 8.290 nan 0.000 0.493 625 D N 0.921 121.305 120.400 -0.027 0.000 2.325 625 D HA 0.195 4.835 4.640 -0.001 0.000 0.251 625 D C 1.749 178.069 176.300 0.032 0.000 1.196 625 D CA 0.001 54.007 54.000 0.011 0.000 0.866 625 D CB 0.676 41.484 40.800 0.014 0.000 1.101 625 D HN 0.470 nan 8.370 nan 0.000 0.476 626 E N 3.231 123.443 120.200 0.020 0.000 2.333 626 E HA -0.208 4.142 4.350 -0.001 0.000 0.198 626 E C 0.368 176.975 176.600 0.011 0.000 1.007 626 E CA 1.050 57.456 56.400 0.009 0.000 0.845 626 E CB -0.211 29.478 29.700 -0.017 0.000 0.766 626 E HN 0.468 nan 8.360 nan 0.000 0.507 627 N N -0.171 118.549 118.700 0.034 0.000 2.415 627 N HA 0.053 4.792 4.740 -0.001 0.000 0.174 627 N C 1.492 177.181 175.510 0.297 0.000 1.048 627 N CA 0.112 53.179 53.050 0.029 0.000 0.895 627 N CB 0.129 38.513 38.487 -0.172 0.000 1.036 627 N HN -0.001 nan 8.380 nan 0.000 0.449 628 L N 0.577 121.942 121.223 0.237 0.000 2.209 628 L HA 0.253 4.593 4.340 -0.001 0.000 0.207 628 L C 1.448 178.368 176.870 0.083 0.000 1.094 628 L CA 1.087 55.965 54.840 0.064 0.000 0.790 628 L CB -0.045 41.901 42.059 -0.189 0.000 0.932 628 L HN 0.136 nan 8.230 nan 0.000 0.447 629 I N -1.067 119.583 120.570 0.134 0.000 2.546 629 I HA -0.200 3.970 4.170 -0.001 0.000 0.255 629 I C 2.542 178.747 176.117 0.148 0.000 1.163 629 I CA 0.616 62.031 61.300 0.192 0.000 1.457 629 I CB -0.306 37.768 38.000 0.123 0.000 1.092 629 I HN 0.224 nan 8.210 nan 0.000 0.434 630 R N 0.818 121.385 120.500 0.112 0.000 2.105 630 R HA -0.149 4.190 4.340 -0.001 0.000 0.239 630 R C 2.195 178.545 176.300 0.084 0.000 1.135 630 R CA 1.443 57.609 56.100 0.112 0.000 0.967 630 R CB -0.047 30.338 30.300 0.142 0.000 0.861 630 R HN 0.202 nan 8.270 nan 0.000 0.442 631 V N 0.226 120.136 119.914 -0.006 0.000 2.358 631 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 631 V C 1.870 177.831 176.094 -0.222 0.000 1.047 631 V CA 1.587 63.775 62.300 -0.187 0.000 1.035 631 V CB -0.543 31.025 31.823 -0.425 0.000 0.658 631 V HN 0.197 nan 8.190 nan 0.000 0.452 632 F N -0.186 119.790 119.950 0.043 0.000 2.293 632 F HA -0.029 4.497 4.527 -0.001 0.000 0.297 632 F C 2.597 178.410 175.800 0.021 0.000 1.089 632 F CA 0.705 58.717 58.000 0.019 0.000 1.377 632 F CB -0.746 38.256 39.000 0.003 0.000 1.051 632 F HN 0.068 nan 8.300 nan 0.000 0.511 633 Q N 0.620 120.532 119.800 0.186 0.000 2.170 633 Q HA -0.179 4.161 4.340 -0.001 0.000 0.203 633 Q C 1.902 177.952 176.000 0.083 0.000 0.976 633 Q CA 1.445 57.317 55.803 0.115 0.000 0.858 633 Q CB -0.352 28.439 28.738 0.089 0.000 0.907 633 Q HN 0.566 nan 8.270 nan 0.000 0.433 634 E N -1.041 119.202 120.200 0.070 0.000 2.250 634 E HA 0.070 4.420 4.350 -0.001 0.000 0.192 634 E C 0.606 177.233 176.600 0.046 0.000 0.986 634 E CA 0.466 56.895 56.400 0.048 0.000 0.849 634 E CB 0.333 30.055 29.700 0.037 0.000 0.797 634 E HN 0.448 nan 8.360 nan 0.000 0.482 635 G N 1.986 110.822 108.800 0.060 0.000 2.207 635 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.216 635 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.216 635 G C -0.132 174.787 174.900 0.032 0.000 1.053 635 G CA -0.051 45.087 45.100 0.065 0.000 0.764 635 G HN 0.046 nan 8.290 nan 0.000 0.495 636 R N -0.699 119.798 120.500 -0.004 0.000 2.700 636 R HA 0.562 4.901 4.340 -0.001 0.000 0.253 636 R C -0.451 175.809 176.300 -0.066 0.000 1.091 636 R CA -0.801 55.273 56.100 -0.043 0.000 1.104 636 R CB 0.773 31.025 30.300 -0.079 0.000 1.202 636 R HN 0.232 nan 8.270 nan 0.000 0.532 637 D N 0.170 120.525 120.400 -0.075 0.000 2.308 637 D HA 0.048 4.687 4.640 -0.001 0.000 0.251 637 D C 0.650 176.855 176.300 -0.159 0.000 1.127 637 D CA -0.189 53.764 54.000 -0.079 0.000 0.876 637 D CB 0.910 41.693 40.800 -0.029 0.000 1.176 637 D HN 0.335 nan 8.370 nan 0.000 0.446 638 I N 3.215 123.649 120.570 -0.226 0.000 2.353 638 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 638 I C 1.349 177.365 176.117 -0.169 0.000 1.119 638 I CA 1.553 62.683 61.300 -0.283 0.000 1.417 638 I CB -0.219 37.591 38.000 -0.316 0.000 1.078 638 I HN 0.601 nan 8.210 nan 0.000 0.421 639 H N -1.179 117.902 119.070 0.018 0.000 2.524 639 H HA -0.027 4.529 4.556 -0.001 0.000 0.282 639 H C 1.784 177.111 175.328 -0.001 0.000 1.016 639 H CA 1.433 57.502 56.048 0.036 0.000 1.270 639 H CB -0.052 29.735 29.762 0.041 0.000 1.394 639 H HN 0.308 nan 8.280 nan 0.000 0.568 640 T N -0.116 114.460 114.554 0.036 0.000 2.983 640 T HA -0.050 4.299 4.350 -0.001 0.000 0.250 640 T C 1.716 176.330 174.700 -0.144 0.000 1.037 640 T CA 0.476 62.553 62.100 -0.039 0.000 1.142 640 T CB 0.206 69.039 68.868 -0.058 0.000 0.876 640 T HN 0.289 nan 8.240 nan 0.000 0.455 641 E N 1.311 121.371 120.200 -0.233 0.000 2.268 641 E HA -0.053 4.297 4.350 -0.001 0.000 0.195 641 E C 2.239 178.553 176.600 -0.477 0.000 0.995 641 E CA 0.947 57.041 56.400 -0.509 0.000 0.836 641 E CB -0.360 28.989 29.700 -0.584 0.000 0.763 641 E HN 0.436 nan 8.360 nan 0.000 0.491 642 T N 0.978 115.484 114.554 -0.080 0.000 2.770 642 T HA -0.052 4.298 4.350 -0.001 0.000 0.263 642 T C 1.943 176.703 174.700 0.101 0.000 1.039 642 T CA 1.343 63.546 62.100 0.172 0.000 1.142 642 T CB -0.140 68.935 68.868 0.345 0.000 0.868 642 T HN 0.248 nan 8.240 nan 0.000 0.435 643 A N 1.148 124.016 122.820 0.080 0.000 2.121 643 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 643 A C 2.495 180.147 177.584 0.113 0.000 1.154 643 A CA 1.428 53.555 52.037 0.150 0.000 0.679 643 A CB -0.590 18.475 19.000 0.108 0.000 0.795 643 A HN 0.417 nan 8.150 nan 0.000 0.458 644 S N -1.298 114.350 115.700 -0.087 0.000 2.362 644 S HA -0.101 4.368 4.470 -0.001 0.000 0.221 644 S C 1.410 175.984 174.600 -0.043 0.000 1.032 644 S CA 0.755 58.861 58.200 -0.156 0.000 0.973 644 S CB -0.320 62.630 63.200 -0.417 0.000 0.849 644 S HN 0.852 nan 8.310 nan 0.000 0.465 645 W N 1.183 122.455 121.300 -0.047 0.000 2.905 645 W HA 0.337 4.997 4.660 -0.001 0.000 0.251 645 W C 1.821 178.250 176.519 -0.150 0.000 1.305 645 W CA -0.147 57.122 57.345 -0.127 0.000 1.465 645 W CB -0.893 28.421 29.460 -0.245 0.000 1.122 645 W HN 0.360 nan 8.180 nan 0.000 0.659 646 M N -1.535 118.098 119.600 0.055 0.000 2.191 646 M HA -0.034 4.446 4.480 -0.001 0.000 0.262 646 M C 1.709 177.846 176.300 -0.271 0.000 1.083 646 M CA 1.695 56.898 55.300 -0.162 0.000 1.154 646 M CB -0.675 31.750 32.600 -0.292 0.000 1.344 646 M HN -0.250 nan 8.290 nan 0.000 0.431 647 F N -0.220 119.679 119.950 -0.084 0.000 2.473 647 F HA 0.247 4.773 4.527 -0.001 0.000 0.294 647 F C 1.597 177.377 175.800 -0.034 0.000 1.103 647 F CA 0.844 58.797 58.000 -0.077 0.000 1.442 647 F CB -0.137 38.807 39.000 -0.093 0.000 1.097 647 F HN 0.358 nan 8.300 nan 0.000 0.547 648 G N 1.046 109.938 108.800 0.154 0.000 2.164 648 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.212 648 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.212 648 G C -0.218 174.733 174.900 0.085 0.000 1.031 648 G CA -0.079 45.084 45.100 0.104 0.000 0.730 648 G HN 0.448 nan 8.290 nan 0.000 0.501 649 V N -2.851 117.108 119.914 0.075 0.000 2.994 649 V HA 0.979 5.098 4.120 -0.001 0.000 0.318 649 V C -1.756 174.334 176.094 -0.007 0.000 1.085 649 V CA -2.428 59.886 62.300 0.024 0.000 0.998 649 V CB 1.919 33.738 31.823 -0.007 0.000 1.063 649 V HN 0.135 nan 8.190 nan 0.000 0.447 650 P HA 0.325 nan 4.420 nan 0.000 0.276 650 P C 0.439 177.695 177.300 -0.074 0.000 1.261 650 P CA -0.633 62.444 63.100 -0.039 0.000 0.800 650 P CB 0.813 32.499 31.700 -0.023 0.000 1.066 651 R N 1.045 121.487 120.500 -0.097 0.000 2.152 651 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 651 R C 1.381 177.633 176.300 -0.079 0.000 1.117 651 R CA 1.373 57.403 56.100 -0.116 0.000 0.981 651 R CB -0.677 29.543 30.300 -0.132 0.000 0.870 651 R HN 0.477 nan 8.270 nan 0.000 0.451 652 E N 0.987 121.152 120.200 -0.058 0.000 2.385 652 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 652 E C 1.209 177.782 176.600 -0.045 0.000 1.013 652 E CA 0.767 57.140 56.400 -0.045 0.000 0.866 652 E CB 0.258 29.938 29.700 -0.033 0.000 0.832 652 E HN 0.430 nan 8.360 nan 0.000 0.500 653 A N 1.448 124.238 122.820 -0.050 0.000 2.379 653 A HA 0.278 4.598 4.320 -0.001 0.000 0.236 653 A C 0.696 178.236 177.584 -0.072 0.000 1.272 653 A CA -0.329 51.677 52.037 -0.053 0.000 0.886 653 A CB 0.135 19.108 19.000 -0.045 0.000 0.962 653 A HN 0.047 nan 8.150 nan 0.000 0.504 654 V N 3.122 122.990 119.914 -0.077 0.000 2.427 654 V HA 0.159 4.279 4.120 -0.001 0.000 0.268 654 V C -0.042 176.003 176.094 -0.082 0.000 1.046 654 V CA -0.719 61.525 62.300 -0.094 0.000 0.970 654 V CB 0.487 32.259 31.823 -0.084 0.000 1.001 654 V HN 0.646 nan 8.190 nan 0.000 0.476 655 D N 6.310 126.650 120.400 -0.100 0.000 2.388 655 D HA 0.288 4.928 4.640 -0.001 0.000 0.254 655 D C -2.186 174.073 176.300 -0.070 0.000 1.111 655 D CA -2.350 51.603 54.000 -0.079 0.000 0.993 655 D CB 1.263 42.013 40.800 -0.083 0.000 1.118 655 D HN 0.155 nan 8.370 nan 0.000 0.502 656 P HA -0.017 nan 4.420 nan 0.000 0.231 656 P C 1.251 178.528 177.300 -0.039 0.000 1.158 656 P CA 0.248 63.324 63.100 -0.040 0.000 0.763 656 P CB 0.225 31.907 31.700 -0.031 0.000 0.805 657 L N -1.516 119.675 121.223 -0.053 0.000 2.127 657 L HA 0.053 4.393 4.340 -0.001 0.000 0.203 657 L C 1.820 178.661 176.870 -0.047 0.000 1.080 657 L CA 1.731 56.546 54.840 -0.042 0.000 0.768 657 L CB -0.702 41.325 42.059 -0.053 0.000 0.924 657 L HN 0.063 nan 8.230 nan 0.000 0.444 658 M N -1.043 118.481 119.600 -0.127 0.000 2.288 658 M HA -0.143 4.337 4.480 -0.001 0.000 0.266 658 M C 2.160 178.446 176.300 -0.024 0.000 1.072 658 M CA 1.023 56.222 55.300 -0.169 0.000 1.132 658 M CB -0.277 32.071 32.600 -0.421 0.000 1.386 658 M HN 0.161 nan 8.290 nan 0.000 0.432 659 R N 0.343 120.828 120.500 -0.026 0.000 2.148 659 R HA -0.093 4.247 4.340 -0.001 0.000 0.223 659 R C 2.254 178.562 176.300 0.013 0.000 1.088 659 R CA 1.039 57.145 56.100 0.011 0.000 0.985 659 R CB -0.003 30.295 30.300 -0.004 0.000 0.880 659 R HN 0.282 nan 8.270 nan 0.000 0.451 660 R N -0.195 120.309 120.500 0.006 0.000 2.075 660 R HA -0.017 4.323 4.340 -0.001 0.000 0.226 660 R C 1.945 178.277 176.300 0.053 0.000 1.114 660 R CA 1.279 57.381 56.100 0.004 0.000 0.972 660 R CB -0.156 30.146 30.300 0.005 0.000 0.869 660 R HN 0.185 nan 8.270 nan 0.000 0.437 661 A N 0.496 123.385 122.820 0.115 0.000 2.015 661 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 661 A C 2.178 179.877 177.584 0.192 0.000 1.163 661 A CA 1.479 53.646 52.037 0.217 0.000 0.646 661 A CB -0.421 18.806 19.000 0.379 0.000 0.806 661 A HN 0.519 nan 8.150 nan 0.000 0.448 662 A N -0.643 122.269 122.820 0.153 0.000 2.021 662 A HA 0.039 4.359 4.320 -0.001 0.000 0.216 662 A C 2.041 179.718 177.584 0.156 0.000 1.163 662 A CA 1.426 53.562 52.037 0.165 0.000 0.676 662 A CB -0.272 18.841 19.000 0.189 0.000 0.818 662 A HN 0.468 nan 8.150 nan 0.000 0.453 663 K N 0.073 120.517 120.400 0.074 0.000 2.148 663 K HA -0.119 4.200 4.320 -0.001 0.000 0.204 663 K C 1.999 178.627 176.600 0.046 0.000 1.050 663 K CA 1.733 57.999 56.287 -0.035 0.000 0.942 663 K CB -0.168 32.171 32.500 -0.269 0.000 0.724 663 K HN 0.637 nan 8.250 nan 0.000 0.446 664 T N -1.275 113.314 114.554 0.059 0.000 2.951 664 T HA -0.019 4.331 4.350 -0.001 0.000 0.268 664 T C 1.810 176.550 174.700 0.068 0.000 1.073 664 T CA 0.761 62.913 62.100 0.086 0.000 1.134 664 T CB -0.178 68.737 68.868 0.078 0.000 0.884 664 T HN 0.140 nan 8.240 nan 0.000 0.479 665 I N 1.271 121.848 120.570 0.011 0.000 2.585 665 I HA 0.030 4.199 4.170 -0.001 0.000 0.254 665 I C 2.444 178.456 176.117 -0.175 0.000 1.129 665 I CA 0.438 61.642 61.300 -0.160 0.000 1.455 665 I CB -0.306 37.520 38.000 -0.290 0.000 1.111 665 I HN 0.140 nan 8.210 nan 0.000 0.433 666 N N 0.629 119.345 118.700 0.027 0.000 2.381 666 N HA -0.142 4.598 4.740 -0.001 0.000 0.182 666 N C 1.602 177.233 175.510 0.201 0.000 1.025 666 N CA 1.333 54.474 53.050 0.152 0.000 0.888 666 N CB -0.013 38.676 38.487 0.337 0.000 0.965 666 N HN 0.283 nan 8.380 nan 0.000 0.438 667 F N 0.541 120.515 119.950 0.039 0.000 2.582 667 F HA 0.285 4.812 4.527 -0.001 0.000 0.290 667 F C 2.105 177.863 175.800 -0.069 0.000 1.115 667 F CA 0.226 58.265 58.000 0.065 0.000 1.445 667 F CB -0.043 39.020 39.000 0.105 0.000 1.126 667 F HN -0.099 nan 8.300 nan 0.000 0.574 668 G N -0.630 108.097 108.800 -0.121 0.000 2.464 668 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.217 668 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.217 668 G C 1.662 176.180 174.900 -0.637 0.000 1.138 668 G CA 0.829 45.602 45.100 -0.545 0.000 0.793 668 G HN 0.283 nan 8.290 nan 0.000 0.539 669 V N 0.465 120.185 119.914 -0.324 0.000 2.913 669 V HA -0.050 4.069 4.120 -0.001 0.000 0.260 669 V C 2.685 178.728 176.094 -0.085 0.000 1.098 669 V CA 1.116 63.312 62.300 -0.172 0.000 1.121 669 V CB -0.211 31.583 31.823 -0.048 0.000 0.714 669 V HN 0.239 nan 8.190 nan 0.000 0.487 670 L N 0.119 121.254 121.223 -0.148 0.000 2.083 670 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 670 L C 2.027 179.023 176.870 0.209 0.000 1.083 670 L CA 2.250 57.105 54.840 0.026 0.000 0.752 670 L CB -0.792 41.241 42.059 -0.043 0.000 0.899 670 L HN 0.772 nan 8.230 nan 0.000 0.433 671 Y N -3.704 116.687 120.300 0.151 0.000 2.641 671 Y HA 0.678 5.227 4.550 -0.001 0.000 0.248 671 Y C 1.485 177.617 175.900 0.386 0.000 1.170 671 Y CA -0.118 58.136 58.100 0.257 0.000 1.201 671 Y CB -0.317 38.221 38.460 0.130 0.000 1.232 671 Y HN 0.024 nan 8.280 nan 0.000 0.537 672 G N 1.232 110.088 108.800 0.092 0.000 3.909 672 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.218 672 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.218 672 G C 0.351 175.233 174.900 -0.030 0.000 1.404 672 G CA 0.358 45.474 45.100 0.027 0.000 0.905 672 G HN 0.618 nan 8.290 nan 0.000 0.589 673 M N -0.476 119.180 119.600 0.093 0.000 7.319 673 M HA -0.015 4.464 4.480 -0.001 0.000 0.157 673 M C 0.315 176.695 176.300 0.133 0.000 0.480 673 M CA 1.401 56.773 55.300 0.119 0.000 1.311 673 M CB -0.682 31.887 32.600 -0.051 0.000 0.421 673 M HN 2.193 nan 8.290 nan 0.000 0.190 674 S N 0.268 116.054 115.700 0.143 0.000 2.661 674 S HA 0.884 5.354 4.470 -0.001 0.000 0.285 674 S C 0.241 174.904 174.600 0.106 0.000 1.138 674 S CA -0.382 57.899 58.200 0.135 0.000 0.855 674 S CB 1.878 65.187 63.200 0.181 0.000 1.136 674 S HN 1.362 nan 8.310 nan 0.000 0.484 675 A N -0.153 122.712 122.820 0.076 0.000 2.119 675 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 675 A C 1.847 179.495 177.584 0.107 0.000 1.153 675 A CA 1.263 53.301 52.037 0.002 0.000 0.692 675 A CB -1.143 17.764 19.000 -0.156 0.000 0.799 675 A HN 0.967 nan 8.150 nan 0.000 0.458 676 H N -0.770 118.394 119.070 0.156 0.000 2.415 676 H HA 0.105 4.660 4.556 -0.001 0.000 0.297 676 H C 2.219 177.638 175.328 0.153 0.000 1.048 676 H CA 1.137 57.334 56.048 0.248 0.000 1.365 676 H CB 0.061 29.979 29.762 0.260 0.000 1.421 676 H HN 0.474 nan 8.280 nan 0.000 0.533 677 R N 0.119 120.739 120.500 0.200 0.000 2.119 677 R HA -0.067 4.273 4.340 -0.001 0.000 0.222 677 R C 2.197 178.550 176.300 0.089 0.000 1.088 677 R CA 0.501 56.690 56.100 0.148 0.000 0.984 677 R CB 0.057 30.481 30.300 0.207 0.000 0.884 677 R HN 0.198 nan 8.270 nan 0.000 0.447 678 L N 0.086 121.350 121.223 0.068 0.000 2.240 678 L HA 0.014 4.354 4.340 -0.001 0.000 0.211 678 L C 2.021 178.886 176.870 -0.008 0.000 1.106 678 L CA 1.474 56.333 54.840 0.032 0.000 0.793 678 L CB -0.200 41.862 42.059 0.006 0.000 0.927 678 L HN -0.001 nan 8.230 nan 0.000 0.446 679 S N -1.590 114.094 115.700 -0.025 0.000 2.461 679 S HA -0.085 4.385 4.470 -0.001 0.000 0.228 679 S C 1.816 176.381 174.600 -0.059 0.000 1.005 679 S CA 0.577 58.747 58.200 -0.050 0.000 0.942 679 S CB -0.082 63.108 63.200 -0.017 0.000 0.776 679 S HN 0.513 nan 8.310 nan 0.000 0.514 680 Q N 0.393 120.158 119.800 -0.059 0.000 2.212 680 Q HA 0.105 4.444 4.340 -0.001 0.000 0.199 680 Q C 1.729 177.727 176.000 -0.003 0.000 0.950 680 Q CA 0.884 56.661 55.803 -0.043 0.000 0.863 680 Q CB -0.239 28.475 28.738 -0.041 0.000 0.944 680 Q HN 0.481 nan 8.270 nan 0.000 0.465 681 E N 0.077 120.287 120.200 0.017 0.000 2.112 681 E HA 0.077 4.426 4.350 -0.001 0.000 0.190 681 E C 0.509 177.120 176.600 0.018 0.000 0.979 681 E CA 0.440 56.859 56.400 0.031 0.000 0.814 681 E CB 0.330 30.066 29.700 0.060 0.000 0.762 681 E HN 0.145 nan 8.360 nan 0.000 0.460 682 L N -1.420 119.807 121.223 0.007 0.000 2.347 682 L HA 0.498 4.838 4.340 -0.001 0.000 0.268 682 L C 0.830 177.693 176.870 -0.012 0.000 1.019 682 L CA -0.509 54.333 54.840 0.003 0.000 0.806 682 L CB 1.128 43.192 42.059 0.008 0.000 1.339 682 L HN -0.109 nan 8.230 nan 0.000 0.463 683 A N 0.423 123.238 122.820 -0.008 0.000 2.275 683 A HA 0.286 4.605 4.320 -0.001 0.000 0.212 683 A C 0.493 178.060 177.584 -0.029 0.000 1.201 683 A CA 0.026 52.055 52.037 -0.013 0.000 0.843 683 A CB -0.453 18.547 19.000 0.000 0.000 0.873 683 A HN 0.410 nan 8.150 nan 0.000 0.492 684 I N 1.433 121.966 120.570 -0.062 0.000 2.496 684 I HA 0.219 4.388 4.170 -0.001 0.000 0.285 684 I C -1.999 174.050 176.117 -0.114 0.000 1.080 684 I CA -1.711 59.511 61.300 -0.131 0.000 1.404 684 I CB 0.709 38.528 38.000 -0.303 0.000 1.403 684 I HN 0.060 nan 8.210 nan 0.000 0.539 685 P HA -0.019 nan 4.420 nan 0.000 0.274 685 P C 0.339 177.640 177.300 0.002 0.000 1.264 685 P CA -0.062 63.025 63.100 -0.022 0.000 0.795 685 P CB 0.365 32.064 31.700 -0.002 0.000 1.064 686 Y N 0.690 120.951 120.300 -0.065 0.000 2.163 686 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 686 Y C 2.004 177.884 175.900 -0.034 0.000 1.136 686 Y CA 1.818 59.895 58.100 -0.039 0.000 1.147 686 Y CB -0.265 38.198 38.460 0.005 0.000 0.987 686 Y HN 0.295 nan 8.280 nan 0.000 0.509 687 E N 0.028 120.249 120.200 0.035 0.000 2.208 687 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 687 E C 1.907 178.460 176.600 -0.078 0.000 0.988 687 E CA 1.075 57.450 56.400 -0.041 0.000 0.828 687 E CB -0.114 29.609 29.700 0.037 0.000 0.763 687 E HN 0.669 nan 8.360 nan 0.000 0.478 688 E N 0.240 120.380 120.200 -0.099 0.000 2.230 688 E HA 0.017 4.367 4.350 -0.001 0.000 0.192 688 E C 1.850 178.259 176.600 -0.319 0.000 0.987 688 E CA 0.491 56.801 56.400 -0.150 0.000 0.841 688 E CB 0.162 29.767 29.700 -0.158 0.000 0.783 688 E HN 0.142 nan 8.360 nan 0.000 0.481 689 A N 0.769 123.393 122.820 -0.326 0.000 2.015 689 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 689 A C 1.948 179.425 177.584 -0.178 0.000 1.163 689 A CA 0.990 52.818 52.037 -0.349 0.000 0.646 689 A CB -0.272 18.583 19.000 -0.242 0.000 0.806 689 A HN 0.255 nan 8.150 nan 0.000 0.448 690 Q N -0.662 119.047 119.800 -0.153 0.000 2.167 690 Q HA -0.045 4.294 4.340 -0.001 0.000 0.202 690 Q C 2.314 178.314 176.000 0.000 0.000 0.970 690 Q CA 1.142 56.894 55.803 -0.087 0.000 0.855 690 Q CB -0.314 28.356 28.738 -0.113 0.000 0.911 690 Q HN 0.686 nan 8.270 nan 0.000 0.438 691 A N 0.235 123.083 122.820 0.047 0.000 1.968 691 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 691 A C 1.558 179.250 177.584 0.181 0.000 1.169 691 A CA 0.791 52.897 52.037 0.114 0.000 0.638 691 A CB -0.411 18.676 19.000 0.145 0.000 0.812 691 A HN 0.245 nan 8.150 nan 0.000 0.446 692 F N 0.049 119.930 119.950 -0.114 0.000 2.293 692 F HA 0.015 4.541 4.527 -0.000 0.000 0.300 692 F C 1.929 177.640 175.800 -0.149 0.000 1.086 692 F CA 0.324 58.244 58.000 -0.133 0.000 1.375 692 F CB -0.437 38.510 39.000 -0.088 0.000 1.045 692 F HN 0.155 nan 8.300 nan 0.000 0.516 693 I N -1.057 119.518 120.570 0.007 0.000 2.716 693 I HA -0.094 4.076 4.170 -0.001 0.000 0.259 693 I C 2.131 178.073 176.117 -0.291 0.000 1.172 693 I CA 0.589 61.760 61.300 -0.215 0.000 1.478 693 I CB -0.274 37.619 38.000 -0.179 0.000 1.104 693 I HN -0.057 nan 8.210 nan 0.000 0.439 694 E N 1.289 121.451 120.200 -0.063 0.000 2.107 694 E HA -0.093 4.257 4.350 -0.001 0.000 0.191 694 E C 2.229 178.842 176.600 0.021 0.000 0.982 694 E CA 0.852 57.275 56.400 0.038 0.000 0.809 694 E CB -0.085 29.657 29.700 0.069 0.000 0.756 694 E HN 0.446 nan 8.360 nan 0.000 0.459 695 R N -0.380 120.097 120.500 -0.037 0.000 2.189 695 R HA -0.117 4.223 4.340 -0.001 0.000 0.223 695 R C 2.067 178.346 176.300 -0.035 0.000 1.092 695 R CA 0.704 56.755 56.100 -0.080 0.000 0.989 695 R CB -0.184 29.987 30.300 -0.214 0.000 0.876 695 R HN 0.183 nan 8.270 nan 0.000 0.457 696 Y N -0.383 119.826 120.300 -0.152 0.000 2.286 696 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 696 Y C 1.336 177.306 175.900 0.116 0.000 1.124 696 Y CA 1.194 59.261 58.100 -0.055 0.000 1.178 696 Y CB 0.139 38.477 38.460 -0.204 0.000 1.010 696 Y HN -0.123 nan 8.280 nan 0.000 0.536 697 F N -0.157 119.893 119.950 0.167 0.000 2.615 697 F HA -0.033 4.493 4.527 -0.001 0.000 0.297 697 F C 2.155 177.949 175.800 -0.010 0.000 1.124 697 F CA 0.461 58.513 58.000 0.085 0.000 1.451 697 F CB -0.619 38.447 39.000 0.110 0.000 1.103 697 F HN 0.097 nan 8.300 nan 0.000 0.569 698 Q N -0.066 119.800 119.800 0.110 0.000 2.187 698 Q HA -0.062 4.277 4.340 -0.001 0.000 0.199 698 Q C 2.366 178.286 176.000 -0.134 0.000 0.957 698 Q CA 1.520 57.321 55.803 -0.004 0.000 0.857 698 Q CB -0.414 28.311 28.738 -0.022 0.000 0.929 698 Q HN 0.469 nan 8.270 nan 0.000 0.453 699 S N -0.777 114.767 115.700 -0.260 0.000 2.406 699 S HA 0.037 4.507 4.470 -0.001 0.000 0.224 699 S C 0.484 174.669 174.600 -0.692 0.000 1.030 699 S CA 0.117 57.976 58.200 -0.569 0.000 0.958 699 S CB -0.034 62.724 63.200 -0.738 0.000 0.811 699 S HN 0.115 nan 8.310 nan 0.000 0.489 700 F N 2.283 122.150 119.950 -0.138 0.000 2.359 700 F HA 0.516 5.042 4.527 -0.001 0.000 0.370 700 F C -2.302 173.476 175.800 -0.037 0.000 1.077 700 F CA -2.687 55.232 58.000 -0.135 0.000 1.136 700 F CB 1.490 40.342 39.000 -0.248 0.000 1.387 700 F HN -0.012 nan 8.300 nan 0.000 0.468 701 P HA -0.125 nan 4.420 nan 0.000 0.215 701 P C 1.465 178.793 177.300 0.046 0.000 1.157 701 P CA 1.264 64.394 63.100 0.050 0.000 0.859 701 P CB 0.347 32.049 31.700 0.004 0.000 0.786 702 K N -0.397 120.037 120.400 0.056 0.000 2.362 702 K HA -0.004 4.316 4.320 -0.001 0.000 0.200 702 K C 1.849 178.503 176.600 0.090 0.000 1.046 702 K CA 0.757 57.078 56.287 0.057 0.000 0.952 702 K CB -0.957 31.567 32.500 0.041 0.000 0.753 702 K HN 0.131 nan 8.250 nan 0.000 0.466 703 V N 1.021 120.997 119.914 0.103 0.000 2.453 703 V HA -0.138 3.981 4.120 -0.001 0.000 0.247 703 V C 2.545 178.703 176.094 0.107 0.000 1.048 703 V CA 1.333 63.727 62.300 0.157 0.000 1.049 703 V CB -0.442 31.482 31.823 0.169 0.000 0.672 703 V HN 0.304 nan 8.190 nan 0.000 0.457 704 R N 0.474 120.908 120.500 -0.111 0.000 2.092 704 R HA -0.100 4.239 4.340 -0.001 0.000 0.231 704 R C 2.229 178.390 176.300 -0.232 0.000 1.119 704 R CA 1.512 57.307 56.100 -0.510 0.000 0.970 704 R CB -0.332 29.546 30.300 -0.704 0.000 0.864 704 R HN 0.469 nan 8.270 nan 0.000 0.440 705 A N -0.238 122.534 122.820 -0.079 0.000 2.015 705 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 705 A C 1.745 179.357 177.584 0.046 0.000 1.163 705 A CA 0.935 52.960 52.037 -0.020 0.000 0.646 705 A CB -0.767 18.244 19.000 0.018 0.000 0.806 705 A HN 0.687 nan 8.150 nan 0.000 0.448 706 W N 0.485 121.739 121.300 -0.077 0.000 2.418 706 W HA -0.016 4.643 4.660 -0.001 0.000 0.292 706 W C 1.615 178.107 176.519 -0.045 0.000 1.213 706 W CA 1.394 58.712 57.345 -0.045 0.000 1.283 706 W CB -0.128 29.314 29.460 -0.029 0.000 1.119 706 W HN 0.281 nan 8.180 nan 0.000 0.542 707 I N 0.339 120.853 120.570 -0.093 0.000 2.394 707 I HA -0.234 3.935 4.170 -0.001 0.000 0.251 707 I C 1.954 177.957 176.117 -0.190 0.000 1.136 707 I CA 1.432 62.573 61.300 -0.265 0.000 1.425 707 I CB -0.476 37.358 38.000 -0.275 0.000 1.079 707 I HN -0.007 nan 8.210 nan 0.000 0.425 708 E N 0.574 120.688 120.200 -0.144 0.000 2.216 708 E HA -0.204 4.146 4.350 -0.001 0.000 0.192 708 E C 1.889 178.433 176.600 -0.093 0.000 0.988 708 E CA 0.615 56.960 56.400 -0.092 0.000 0.834 708 E CB 0.116 29.765 29.700 -0.085 0.000 0.772 708 E HN 0.167 nan 8.360 nan 0.000 0.479 709 K N 0.294 120.606 120.400 -0.146 0.000 2.243 709 K HA 0.006 4.325 4.320 -0.001 0.000 0.201 709 K C 1.751 178.212 176.600 -0.233 0.000 1.051 709 K CA 1.072 57.265 56.287 -0.155 0.000 0.970 709 K CB 0.091 32.521 32.500 -0.117 0.000 0.755 709 K HN -0.062 nan 8.250 nan 0.000 0.465 710 T N 0.540 114.882 114.554 -0.352 0.000 3.014 710 T HA 0.086 4.435 4.350 -0.001 0.000 0.263 710 T C 1.517 176.152 174.700 -0.107 0.000 1.078 710 T CA 0.534 62.443 62.100 -0.318 0.000 1.135 710 T CB 0.028 68.598 68.868 -0.497 0.000 0.895 710 T HN 0.071 nan 8.240 nan 0.000 0.480 711 L N 0.665 121.873 121.223 -0.025 0.000 2.291 711 L HA 0.042 4.381 4.340 -0.001 0.000 0.214 711 L C 2.677 179.556 176.870 0.016 0.000 1.120 711 L CA 1.045 55.916 54.840 0.051 0.000 0.799 711 L CB -0.223 41.902 42.059 0.110 0.000 0.925 711 L HN 0.338 nan 8.230 nan 0.000 0.446 712 E N 0.796 120.978 120.200 -0.030 0.000 2.011 712 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 712 E C 0.536 177.096 176.600 -0.067 0.000 0.980 712 E CA 0.576 56.956 56.400 -0.033 0.000 0.814 712 E CB 0.161 29.830 29.700 -0.051 0.000 0.775 712 E HN 0.410 nan 8.360 nan 0.000 0.454 713 E N -0.308 119.825 120.200 -0.111 0.000 2.467 713 E HA 0.100 4.450 4.350 -0.001 0.000 0.321 713 E C 0.070 176.560 176.600 -0.184 0.000 1.388 713 E CA -0.039 56.265 56.400 -0.161 0.000 1.508 713 E CB 0.604 30.198 29.700 -0.177 0.000 1.250 713 E HN 0.417 nan 8.360 nan 0.000 0.500 714 G N 0.862 109.578 108.800 -0.140 0.000 4.213 714 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.206 714 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.206 714 G C 1.144 176.007 174.900 -0.063 0.000 1.421 714 G CA -0.390 44.632 45.100 -0.130 0.000 0.997 714 G HN 0.146 nan 8.290 nan 0.000 0.456 715 R N 0.712 121.212 120.500 -0.001 0.000 2.189 715 R HA 0.101 4.440 4.340 -0.001 0.000 0.218 715 R C 2.495 178.863 176.300 0.114 0.000 1.074 715 R CA 1.392 57.537 56.100 0.075 0.000 0.991 715 R CB -0.021 30.351 30.300 0.120 0.000 0.883 715 R HN 0.478 nan 8.270 nan 0.000 0.457 716 R N -0.171 120.360 120.500 0.051 0.000 2.191 716 R HA 0.116 4.456 4.340 -0.001 0.000 0.196 716 R C 1.992 178.315 176.300 0.037 0.000 0.991 716 R CA 0.142 56.277 56.100 0.058 0.000 1.075 716 R CB -0.110 30.177 30.300 -0.022 0.000 1.040 716 R HN -0.062 nan 8.270 nan 0.000 0.526 717 R N -0.098 120.323 120.500 -0.131 0.000 2.073 717 R HA 0.032 4.371 4.340 -0.001 0.000 0.229 717 R C 0.993 177.000 176.300 -0.488 0.000 1.120 717 R CA 1.901 57.803 56.100 -0.330 0.000 0.967 717 R CB 0.022 30.027 30.300 -0.493 0.000 0.862 717 R HN 0.564 nan 8.270 nan 0.000 0.436 718 G N -1.242 107.318 108.800 -0.400 0.000 2.399 718 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.216 718 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.216 718 G C -0.025 174.689 174.900 -0.310 0.000 1.096 718 G CA 0.313 45.127 45.100 -0.477 0.000 0.650 718 G HN 0.471 nan 8.290 nan 0.000 0.512 719 Y N -0.182 119.858 120.300 -0.434 0.000 2.662 719 Y HA 0.777 5.326 4.550 -0.001 0.000 0.335 719 Y C -0.154 175.622 175.900 -0.207 0.000 1.066 719 Y CA -1.284 56.612 58.100 -0.340 0.000 1.116 719 Y CB 1.628 39.816 38.460 -0.453 0.000 1.308 719 Y HN 0.744 nan 8.280 nan 0.000 0.502 720 V N -0.408 119.520 119.914 0.024 0.000 2.349 720 V HA 0.460 4.579 4.120 -0.001 0.000 0.284 720 V C -0.456 175.707 176.094 0.115 0.000 1.014 720 V CA -0.908 61.371 62.300 -0.036 0.000 0.826 720 V CB 0.851 32.654 31.823 -0.032 0.000 1.009 720 V HN 0.926 nan 8.190 nan 0.000 0.431 721 E N 3.190 123.435 120.200 0.076 0.000 2.366 721 E HA 0.480 4.830 4.350 -0.001 0.000 0.266 721 E C 0.486 177.151 176.600 0.108 0.000 1.051 721 E CA -0.060 56.438 56.400 0.163 0.000 0.884 721 E CB 1.316 31.110 29.700 0.157 0.000 1.006 721 E HN 0.973 nan 8.360 nan 0.000 0.417 722 T N 0.547 115.170 114.554 0.115 0.000 2.893 722 T HA 0.140 4.490 4.350 -0.001 0.000 0.281 722 T C 1.029 175.742 174.700 0.022 0.000 1.027 722 T CA -0.783 61.377 62.100 0.100 0.000 0.953 722 T CB 0.349 69.302 68.868 0.141 0.000 1.434 722 T HN 0.418 nan 8.240 nan 0.000 0.597 723 L N -0.834 120.343 121.223 -0.076 0.000 2.156 723 L HA 0.237 4.576 4.340 -0.001 0.000 0.208 723 L C 1.841 178.460 176.870 -0.418 0.000 1.095 723 L CA 1.584 56.247 54.840 -0.296 0.000 0.770 723 L CB -0.899 40.874 42.059 -0.477 0.000 0.914 723 L HN 0.685 nan 8.230 nan 0.000 0.439 724 F N -0.213 119.684 119.950 -0.089 0.000 2.530 724 F HA 0.389 4.915 4.527 -0.001 0.000 0.292 724 F C 1.756 177.539 175.800 -0.028 0.000 1.109 724 F CA 0.597 58.537 58.000 -0.100 0.000 1.450 724 F CB -0.205 38.778 39.000 -0.029 0.000 1.114 724 F HN 0.095 nan 8.300 nan 0.000 0.560 725 G N 0.947 109.849 108.800 0.169 0.000 2.247 725 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.111 725 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.111 725 G C -0.070 174.889 174.900 0.098 0.000 1.045 725 G CA -0.721 44.453 45.100 0.123 0.000 0.715 725 G HN 0.277 nan 8.290 nan 0.000 0.485 726 R N -0.252 120.307 120.500 0.099 0.000 2.459 726 R HA 0.736 5.075 4.340 -0.001 0.000 0.281 726 R C 0.696 176.990 176.300 -0.011 0.000 1.050 726 R CA -0.564 55.550 56.100 0.022 0.000 1.055 726 R CB 0.597 30.917 30.300 0.034 0.000 1.045 726 R HN 0.275 nan 8.270 nan 0.000 0.495 727 R N 0.906 121.332 120.500 -0.124 0.000 2.607 727 R HA 0.404 4.744 4.340 -0.001 0.000 0.261 727 R C -0.787 175.472 176.300 -0.068 0.000 1.051 727 R CA -0.563 55.422 56.100 -0.191 0.000 1.110 727 R CB 0.955 31.075 30.300 -0.301 0.000 1.158 727 R HN 0.453 nan 8.270 nan 0.000 0.543 728 R N 1.337 121.829 120.500 -0.013 0.000 3.124 728 R HA 0.125 4.464 4.340 -0.001 0.000 0.212 728 R C -1.942 174.398 176.300 0.066 0.000 1.677 728 R CA -0.234 55.897 56.100 0.051 0.000 1.186 728 R CB -0.311 30.021 30.300 0.053 0.000 1.571 728 R HN 0.539 nan 8.270 nan 0.000 0.583 729 Y N 2.596 122.891 120.300 -0.008 0.000 2.697 729 Y HA 0.207 4.756 4.550 -0.001 0.000 0.349 729 Y C 0.457 176.372 175.900 0.026 0.000 1.120 729 Y CA 0.606 58.709 58.100 0.005 0.000 1.468 729 Y CB 0.795 39.239 38.460 -0.027 0.000 1.182 729 Y HN 0.243 nan 8.280 nan 0.000 0.525 730 V N 3.485 123.452 119.914 0.089 0.000 2.462 730 V HA 0.385 4.505 4.120 -0.001 0.000 0.288 730 V C -2.836 173.321 176.094 0.105 0.000 1.020 730 V CA -1.951 60.403 62.300 0.091 0.000 0.857 730 V CB 1.927 33.778 31.823 0.047 0.000 1.013 730 V HN 0.413 nan 8.190 nan 0.000 0.431 731 P HA 0.211 nan 4.420 nan 0.000 0.262 731 P C 0.707 178.160 177.300 0.254 0.000 1.304 731 P CA 0.308 63.568 63.100 0.268 0.000 0.859 731 P CB 0.351 32.252 31.700 0.336 0.000 1.310 732 D N -0.449 120.049 120.400 0.162 0.000 2.348 732 D HA -0.045 4.595 4.640 -0.001 0.000 0.216 732 D C 1.330 177.692 176.300 0.103 0.000 0.970 732 D CA 0.616 54.688 54.000 0.120 0.000 0.889 732 D CB -0.442 40.402 40.800 0.073 0.000 0.912 732 D HN 0.079 nan 8.370 nan 0.000 0.524 733 L N -0.057 121.230 121.223 0.107 0.000 2.700 733 L HA 0.055 4.395 4.340 -0.001 0.000 0.240 733 L C 0.190 177.115 176.870 0.091 0.000 1.162 733 L CA 0.612 55.497 54.840 0.074 0.000 0.874 733 L CB 0.010 42.099 42.059 0.050 0.000 1.001 733 L HN -0.101 nan 8.230 nan 0.000 0.447 734 E N 0.017 120.310 120.200 0.154 0.000 3.074 734 E HA 0.482 4.832 4.350 -0.001 0.000 0.287 734 E C -0.803 175.875 176.600 0.131 0.000 1.194 734 E CA -0.063 56.439 56.400 0.170 0.000 0.836 734 E CB 0.900 30.824 29.700 0.374 0.000 1.468 734 E HN 0.145 nan 8.360 nan 0.000 0.383 735 A N 1.542 124.375 122.820 0.021 0.000 2.350 735 A HA 0.630 4.950 4.320 -0.001 0.000 0.318 735 A C 0.690 178.246 177.584 -0.046 0.000 1.132 735 A CA -0.615 51.399 52.037 -0.038 0.000 0.811 735 A CB 1.510 20.501 19.000 -0.015 0.000 1.313 735 A HN 0.448 nan 8.150 nan 0.000 0.454 736 R N 0.218 120.677 120.500 -0.069 0.000 2.062 736 R HA 0.092 4.432 4.340 -0.001 0.000 0.226 736 R C 0.104 176.395 176.300 -0.015 0.000 1.125 736 R CA 1.004 57.080 56.100 -0.041 0.000 0.966 736 R CB -0.143 30.113 30.300 -0.073 0.000 0.861 736 R HN 0.570 nan 8.270 nan 0.000 0.433 737 V N 2.259 122.159 119.914 -0.022 0.000 2.715 737 V HA -0.013 4.107 4.120 -0.001 0.000 0.299 737 V C 1.346 177.445 176.094 0.007 0.000 1.054 737 V CA 0.198 62.493 62.300 -0.008 0.000 1.077 737 V CB 1.526 33.341 31.823 -0.013 0.000 0.972 737 V HN 0.319 nan 8.190 nan 0.000 0.484 738 K N 1.833 122.243 120.400 0.016 0.000 2.211 738 K HA -0.098 4.222 4.320 -0.001 0.000 0.203 738 K C 1.953 178.570 176.600 0.028 0.000 1.050 738 K CA 1.411 57.714 56.287 0.027 0.000 0.945 738 K CB 0.060 32.578 32.500 0.029 0.000 0.732 738 K HN 0.729 nan 8.250 nan 0.000 0.451 739 S N 0.009 115.720 115.700 0.020 0.000 2.461 739 S HA -0.038 4.432 4.470 -0.001 0.000 0.228 739 S C 1.706 176.320 174.600 0.023 0.000 1.005 739 S CA 0.582 58.795 58.200 0.023 0.000 0.942 739 S CB 0.293 63.503 63.200 0.017 0.000 0.776 739 S HN 0.071 nan 8.310 nan 0.000 0.514 740 V N 2.760 122.684 119.914 0.016 0.000 2.599 740 V HA -0.061 4.059 4.120 -0.001 0.000 0.245 740 V C 2.413 178.519 176.094 0.020 0.000 1.046 740 V CA 1.342 63.651 62.300 0.015 0.000 1.065 740 V CB -0.548 31.278 31.823 0.005 0.000 0.703 740 V HN 0.501 nan 8.190 nan 0.000 0.464 741 R N 0.900 121.413 120.500 0.021 0.000 2.090 741 R HA -0.107 4.233 4.340 -0.001 0.000 0.228 741 R C 1.978 178.298 176.300 0.033 0.000 1.110 741 R CA 1.629 57.744 56.100 0.024 0.000 0.973 741 R CB -0.399 29.913 30.300 0.021 0.000 0.869 741 R HN 0.411 nan 8.270 nan 0.000 0.440 742 E N 1.293 121.520 120.200 0.045 0.000 2.107 742 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 742 E C 1.927 178.561 176.600 0.056 0.000 0.982 742 E CA 1.468 57.908 56.400 0.066 0.000 0.809 742 E CB -0.080 29.665 29.700 0.075 0.000 0.756 742 E HN 0.480 nan 8.360 nan 0.000 0.459 743 A N 0.080 122.924 122.820 0.039 0.000 2.066 743 A HA 0.121 4.441 4.320 -0.001 0.000 0.218 743 A C 2.226 179.812 177.584 0.003 0.000 1.157 743 A CA 1.388 53.443 52.037 0.030 0.000 0.670 743 A CB -0.423 18.593 19.000 0.027 0.000 0.804 743 A HN 0.315 nan 8.150 nan 0.000 0.453 744 A N -0.096 122.721 122.820 -0.006 0.000 1.930 744 A HA -0.024 4.295 4.320 -0.001 0.000 0.215 744 A C 1.854 179.373 177.584 -0.110 0.000 1.176 744 A CA 1.275 53.292 52.037 -0.032 0.000 0.632 744 A CB -0.333 18.665 19.000 -0.004 0.000 0.819 744 A HN 0.557 nan 8.150 nan 0.000 0.445 745 E N -0.604 119.528 120.200 -0.114 0.000 2.150 745 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 745 E C 2.153 178.424 176.600 -0.547 0.000 0.985 745 E CA 0.786 57.024 56.400 -0.271 0.000 0.814 745 E CB -0.080 29.596 29.700 -0.040 0.000 0.752 745 E HN 0.292 nan 8.360 nan 0.000 0.466 746 R N 0.050 120.439 120.500 -0.185 0.000 2.152 746 R HA -0.065 4.275 4.340 -0.001 0.000 0.232 746 R C 1.817 178.049 176.300 -0.113 0.000 1.117 746 R CA 0.934 57.010 56.100 -0.041 0.000 0.981 746 R CB -0.098 30.264 30.300 0.103 0.000 0.870 746 R HN 0.126 nan 8.270 nan 0.000 0.451 747 M N -1.121 118.378 119.600 -0.169 0.000 2.510 747 M HA 0.304 4.784 4.480 -0.001 0.000 0.256 747 M C 1.477 177.670 176.300 -0.179 0.000 1.132 747 M CA 0.436 55.672 55.300 -0.107 0.000 1.105 747 M CB 0.139 32.709 32.600 -0.050 0.000 1.375 747 M HN 0.079 nan 8.290 nan 0.000 0.477 748 A N 0.426 123.010 122.820 -0.393 0.000 1.832 748 A HA -0.095 4.224 4.320 -0.001 0.000 0.214 748 A C 1.374 178.787 177.584 -0.286 0.000 1.200 748 A CA 1.706 53.509 52.037 -0.391 0.000 0.610 748 A CB -1.221 17.463 19.000 -0.526 0.000 0.842 748 A HN 0.599 nan 8.150 nan 0.000 0.444 749 F N -0.350 119.593 119.950 -0.013 0.000 2.676 749 F HA 0.303 4.830 4.527 -0.001 0.000 0.300 749 F C 1.225 177.095 175.800 0.117 0.000 1.160 749 F CA -0.030 57.962 58.000 -0.013 0.000 1.401 749 F CB -0.932 38.019 39.000 -0.081 0.000 1.037 749 F HN 0.269 nan 8.300 nan 0.000 0.522 750 N N -0.065 118.750 118.700 0.191 0.000 2.368 750 N HA -0.011 4.729 4.740 -0.001 0.000 0.178 750 N C 1.737 177.346 175.510 0.165 0.000 1.076 750 N CA 0.226 53.400 53.050 0.208 0.000 0.889 750 N CB 0.156 38.736 38.487 0.155 0.000 1.040 750 N HN 0.239 nan 8.380 nan 0.000 0.463 751 M N 1.686 121.362 119.600 0.127 0.000 2.334 751 M HA 0.100 4.580 4.480 -0.001 0.000 0.266 751 M C -1.380 175.012 176.300 0.153 0.000 1.082 751 M CA 0.690 56.062 55.300 0.120 0.000 1.141 751 M CB -1.367 31.282 32.600 0.083 0.000 1.380 751 M HN -0.015 nan 8.290 nan 0.000 0.440 752 P HA 0.016 nan 4.420 nan 0.000 0.241 752 P C 1.397 178.843 177.300 0.243 0.000 1.191 752 P CA 0.763 64.005 63.100 0.237 0.000 0.771 752 P CB 0.344 32.235 31.700 0.318 0.000 0.929 753 V N 0.447 120.506 119.914 0.243 0.000 2.403 753 V HA -0.056 4.063 4.120 -0.001 0.000 0.239 753 V C 2.647 178.818 176.094 0.128 0.000 1.041 753 V CA 1.372 63.780 62.300 0.180 0.000 1.051 753 V CB -1.157 30.791 31.823 0.209 0.000 0.704 753 V HN 0.032 nan 8.190 nan 0.000 0.472 754 Q N 0.353 120.236 119.800 0.138 0.000 2.311 754 Q HA 0.005 4.345 4.340 -0.001 0.000 0.203 754 Q C 2.178 178.250 176.000 0.119 0.000 0.954 754 Q CA 1.234 57.111 55.803 0.122 0.000 0.885 754 Q CB -0.203 28.611 28.738 0.127 0.000 0.963 754 Q HN 0.709 nan 8.270 nan 0.000 0.471 755 G N 0.426 109.302 108.800 0.126 0.000 2.408 755 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.213 755 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.213 755 G C 1.395 176.376 174.900 0.135 0.000 1.177 755 G CA 0.893 46.069 45.100 0.127 0.000 0.802 755 G HN 0.219 nan 8.290 nan 0.000 0.533 756 T N 1.834 116.473 114.554 0.142 0.000 2.867 756 T HA 0.074 4.424 4.350 -0.001 0.000 0.268 756 T C 2.739 177.507 174.700 0.113 0.000 1.057 756 T CA 1.236 63.437 62.100 0.168 0.000 1.136 756 T CB -0.235 68.708 68.868 0.126 0.000 0.874 756 T HN 0.331 nan 8.240 nan 0.000 0.466 757 A N 1.215 124.070 122.820 0.059 0.000 2.019 757 A HA 0.246 4.565 4.320 -0.001 0.000 0.219 757 A C 2.506 180.091 177.584 0.001 0.000 1.164 757 A CA 1.587 53.615 52.037 -0.015 0.000 0.644 757 A CB -0.738 18.263 19.000 0.001 0.000 0.805 757 A HN 0.512 nan 8.150 nan 0.000 0.449 758 A N -0.852 122.009 122.820 0.068 0.000 2.030 758 A HA 0.001 4.320 4.320 -0.001 0.000 0.215 758 A C 1.697 179.322 177.584 0.068 0.000 1.164 758 A CA 1.181 53.270 52.037 0.087 0.000 0.697 758 A CB -0.193 18.870 19.000 0.106 0.000 0.827 758 A HN 0.410 nan 8.150 nan 0.000 0.457 759 D N 0.130 120.571 120.400 0.067 0.000 2.224 759 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 759 D C 1.751 178.018 176.300 -0.055 0.000 0.965 759 D CA 0.755 54.750 54.000 -0.008 0.000 0.852 759 D CB 0.008 40.819 40.800 0.018 0.000 0.947 759 D HN 0.421 nan 8.370 nan 0.000 0.494 760 L N 0.073 121.323 121.223 0.045 0.000 2.291 760 L HA -0.078 4.262 4.340 -0.001 0.000 0.214 760 L C 2.251 179.170 176.870 0.081 0.000 1.120 760 L CA 0.349 55.223 54.840 0.058 0.000 0.799 760 L CB -0.100 41.959 42.059 0.000 0.000 0.925 760 L HN 0.014 nan 8.230 nan 0.000 0.446 761 M N -0.170 119.490 119.600 0.101 0.000 2.248 761 M HA -0.074 4.405 4.480 -0.001 0.000 0.265 761 M C 2.075 178.430 176.300 0.091 0.000 1.079 761 M CA 1.713 57.137 55.300 0.208 0.000 1.150 761 M CB -0.110 32.641 32.600 0.252 0.000 1.366 761 M HN -0.114 nan 8.290 nan 0.000 0.433 762 K N -0.351 120.067 120.400 0.030 0.000 2.097 762 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 762 K C 1.789 178.358 176.600 -0.052 0.000 1.049 762 K CA 1.303 57.577 56.287 -0.021 0.000 0.933 762 K CB -0.403 32.076 32.500 -0.035 0.000 0.717 762 K HN 0.276 nan 8.250 nan 0.000 0.442 763 L N 0.298 121.484 121.223 -0.063 0.000 2.313 763 L HA 0.039 4.379 4.340 -0.001 0.000 0.214 763 L C 1.966 178.843 176.870 0.012 0.000 1.119 763 L CA 1.037 55.838 54.840 -0.064 0.000 0.809 763 L CB -0.180 41.823 42.059 -0.093 0.000 0.933 763 L HN 0.043 nan 8.230 nan 0.000 0.449 764 A N -0.923 121.930 122.820 0.055 0.000 1.930 764 A HA -0.124 4.196 4.320 -0.001 0.000 0.215 764 A C 2.198 179.812 177.584 0.050 0.000 1.176 764 A CA 1.490 53.577 52.037 0.084 0.000 0.632 764 A CB -0.420 18.669 19.000 0.149 0.000 0.819 764 A HN 0.434 nan 8.150 nan 0.000 0.445 765 M N -0.490 119.125 119.600 0.025 0.000 2.358 765 M HA -0.105 4.375 4.480 -0.001 0.000 0.264 765 M C 1.847 178.146 176.300 -0.001 0.000 1.064 765 M CA 0.941 56.242 55.300 0.002 0.000 1.093 765 M CB -0.208 32.366 32.600 -0.044 0.000 1.401 765 M HN 0.259 nan 8.290 nan 0.000 0.440 766 V N 0.136 120.038 119.914 -0.019 0.000 2.407 766 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 766 V C 2.007 178.122 176.094 0.035 0.000 1.041 766 V CA 1.613 63.897 62.300 -0.027 0.000 1.040 766 V CB -0.472 31.308 31.823 -0.072 0.000 0.671 766 V HN 0.421 nan 8.190 nan 0.000 0.455 767 K N -0.269 120.152 120.400 0.036 0.000 2.296 767 K HA -0.003 4.317 4.320 -0.001 0.000 0.200 767 K C 1.864 178.498 176.600 0.056 0.000 1.048 767 K CA 0.683 56.998 56.287 0.046 0.000 0.966 767 K CB -0.053 32.477 32.500 0.049 0.000 0.754 767 K HN 0.234 nan 8.250 nan 0.000 0.466 768 L N -0.031 121.234 121.223 0.070 0.000 2.375 768 L HA 0.082 4.422 4.340 -0.001 0.000 0.215 768 L C 1.659 178.582 176.870 0.088 0.000 1.108 768 L CA 0.997 55.874 54.840 0.061 0.000 0.830 768 L CB -0.281 41.808 42.059 0.051 0.000 0.959 768 L HN -0.000 nan 8.230 nan 0.000 0.457 769 F N 1.402 121.320 119.950 -0.053 0.000 2.202 769 F HA -0.072 4.454 4.527 -0.001 0.000 0.301 769 F C -0.617 175.139 175.800 -0.074 0.000 1.082 769 F CA 1.206 59.162 58.000 -0.074 0.000 1.313 769 F CB -1.229 37.717 39.000 -0.090 0.000 1.024 769 F HN 0.185 nan 8.300 nan 0.000 0.495 770 P HA -0.058 nan 4.420 nan 0.000 0.220 770 P C 1.294 178.518 177.300 -0.126 0.000 1.152 770 P CA 1.176 64.214 63.100 -0.104 0.000 0.812 770 P CB 0.111 31.796 31.700 -0.026 0.000 0.792 771 R N -0.937 119.514 120.500 -0.083 0.000 2.236 771 R HA 0.113 4.452 4.340 -0.001 0.000 0.208 771 R C 2.009 178.249 176.300 -0.100 0.000 1.036 771 R CA 0.763 56.818 56.100 -0.074 0.000 1.001 771 R CB -1.104 29.173 30.300 -0.038 0.000 0.896 771 R HN 0.216 nan 8.270 nan 0.000 0.464 772 L N -0.023 121.115 121.223 -0.142 0.000 2.209 772 L HA -0.012 4.328 4.340 -0.001 0.000 0.207 772 L C 1.698 178.460 176.870 -0.180 0.000 1.094 772 L CA 0.704 55.458 54.840 -0.143 0.000 0.790 772 L CB -0.234 41.745 42.059 -0.135 0.000 0.932 772 L HN 0.092 nan 8.230 nan 0.000 0.447 773 E N 0.878 120.917 120.200 -0.269 0.000 2.153 773 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 773 E C 1.864 178.379 176.600 -0.142 0.000 0.988 773 E CA 1.428 57.684 56.400 -0.241 0.000 0.811 773 E CB 0.023 29.531 29.700 -0.320 0.000 0.746 773 E HN 0.706 nan 8.360 nan 0.000 0.466 774 E N -0.275 119.851 120.200 -0.123 0.000 2.190 774 E HA -0.003 4.347 4.350 -0.001 0.000 0.191 774 E C 1.824 178.374 176.600 -0.083 0.000 0.978 774 E CA 0.282 56.629 56.400 -0.089 0.000 0.839 774 E CB -0.057 29.597 29.700 -0.077 0.000 0.787 774 E HN 0.042 nan 8.360 nan 0.000 0.473 775 M N 0.492 120.037 119.600 -0.091 0.000 2.506 775 M HA 0.135 4.614 4.480 -0.001 0.000 0.260 775 M C 1.227 177.454 176.300 -0.120 0.000 1.104 775 M CA 1.272 56.514 55.300 -0.096 0.000 1.112 775 M CB -0.003 32.543 32.600 -0.090 0.000 1.401 775 M HN 0.469 nan 8.290 nan 0.000 0.473 776 G N 0.947 109.684 108.800 -0.105 0.000 2.142 776 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.225 776 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.225 776 G C 0.100 174.927 174.900 -0.122 0.000 1.015 776 G CA 0.242 45.279 45.100 -0.106 0.000 0.716 776 G HN 0.762 nan 8.290 nan 0.000 0.508 777 A N -0.386 122.404 122.820 -0.051 0.000 2.313 777 A HA 1.070 5.390 4.320 -0.001 0.000 0.323 777 A C 0.282 177.932 177.584 0.109 0.000 1.133 777 A CA -0.025 52.032 52.037 0.033 0.000 0.847 777 A CB 1.152 20.138 19.000 -0.024 0.000 1.308 777 A HN 1.462 nan 8.150 nan 0.000 0.475 778 R N -0.113 120.489 120.500 0.170 0.000 2.739 778 R HA 0.719 5.059 4.340 -0.001 0.000 0.271 778 R C -1.176 175.189 176.300 0.108 0.000 1.010 778 R CA -0.722 55.459 56.100 0.135 0.000 0.897 778 R CB 1.481 31.883 30.300 0.170 0.000 1.236 778 R HN 0.661 nan 8.270 nan 0.000 0.466 779 M N 2.702 122.367 119.600 0.108 0.000 2.318 779 M HA 0.314 4.793 4.480 -0.001 0.000 0.347 779 M C -0.630 175.698 176.300 0.047 0.000 1.175 779 M CA -0.428 54.910 55.300 0.063 0.000 1.075 779 M CB 1.293 33.934 32.600 0.069 0.000 1.614 779 M HN 0.785 nan 8.290 nan 0.000 0.456 780 L N 2.682 123.900 121.223 -0.008 0.000 3.031 780 L HA 0.347 4.687 4.340 -0.001 0.000 0.167 780 L C -0.404 176.452 176.870 -0.022 0.000 1.203 780 L CA -0.370 54.472 54.840 0.004 0.000 0.857 780 L CB 0.100 42.143 42.059 -0.027 0.000 1.368 780 L HN 0.476 nan 8.230 nan 0.000 0.534 781 L N 0.086 121.250 121.223 -0.100 0.000 2.304 781 L HA 0.528 4.867 4.340 -0.001 0.000 0.268 781 L C -0.430 176.343 176.870 -0.161 0.000 1.010 781 L CA -0.009 54.791 54.840 -0.067 0.000 0.813 781 L CB 1.071 43.072 42.059 -0.097 0.000 1.315 781 L HN 0.218 nan 8.230 nan 0.000 0.445 782 Q N 1.773 121.513 119.800 -0.100 0.000 2.961 782 Q HA 0.374 4.714 4.340 -0.001 0.000 0.223 782 Q C -1.667 174.417 176.000 0.139 0.000 0.859 782 Q CA -0.166 55.604 55.803 -0.055 0.000 0.771 782 Q CB 1.774 30.366 28.738 -0.243 0.000 1.389 782 Q HN 0.500 nan 8.270 nan 0.000 0.460 783 V N 1.225 121.263 119.914 0.207 0.000 2.417 783 V HA 0.609 4.728 4.120 -0.001 0.000 0.291 783 V C 1.009 177.291 176.094 0.314 0.000 1.024 783 V CA -0.176 62.282 62.300 0.264 0.000 0.861 783 V CB 1.309 33.361 31.823 0.381 0.000 0.985 783 V HN 0.918 nan 8.190 nan 0.000 0.436 784 H N 2.647 121.817 119.070 0.168 0.000 1.470 784 H HA -0.243 4.312 4.556 -0.001 0.000 0.090 784 H C 0.275 175.706 175.328 0.172 0.000 0.594 784 H CA 2.323 58.468 56.048 0.161 0.000 1.899 784 H CB -0.799 29.059 29.762 0.159 0.000 2.254 784 H HN 0.884 nan 8.280 nan 0.000 0.961 785 D N 1.355 121.964 120.400 0.349 0.000 2.822 785 D HA 0.154 4.793 4.640 -0.001 0.000 0.327 785 D C -0.434 176.035 176.300 0.280 0.000 1.577 785 D CA 0.073 54.273 54.000 0.334 0.000 0.785 785 D CB 1.080 42.084 40.800 0.341 0.000 1.199 785 D HN 0.351 nan 8.370 nan 0.000 0.443 786 E N 1.383 121.711 120.200 0.213 0.000 2.234 786 E HA 0.395 4.745 4.350 -0.001 0.000 0.266 786 E C -1.514 175.142 176.600 0.093 0.000 0.877 786 E CA -0.790 55.695 56.400 0.141 0.000 0.758 786 E CB 1.993 31.819 29.700 0.211 0.000 1.170 786 E HN -0.069 nan 8.360 nan 0.000 0.415 787 L N 5.424 126.650 121.223 0.005 0.000 2.305 787 L HA 0.394 4.733 4.340 -0.001 0.000 0.284 787 L C -1.438 175.409 176.870 -0.039 0.000 1.013 787 L CA -0.679 54.142 54.840 -0.033 0.000 0.819 787 L CB 1.632 43.648 42.059 -0.070 0.000 1.227 787 L HN 0.363 nan 8.230 nan 0.000 0.417 788 V N 6.542 126.407 119.914 -0.081 0.000 2.370 788 V HA 0.457 4.577 4.120 -0.001 0.000 0.279 788 V C 0.285 176.317 176.094 -0.104 0.000 1.029 788 V CA -0.465 61.751 62.300 -0.140 0.000 0.870 788 V CB 1.176 32.771 31.823 -0.381 0.000 0.984 788 V HN 0.634 nan 8.190 nan 0.000 0.451 789 L N 3.476 124.665 121.223 -0.057 0.000 2.298 789 L HA 0.740 5.080 4.340 -0.001 0.000 0.268 789 L C -0.102 176.783 176.870 0.025 0.000 1.010 789 L CA -0.643 54.192 54.840 -0.009 0.000 0.812 789 L CB 1.859 43.919 42.059 0.002 0.000 1.331 789 L HN 0.603 nan 8.230 nan 0.000 0.450 790 E N 0.377 120.633 120.200 0.094 0.000 2.281 790 E HA 0.660 5.010 4.350 -0.001 0.000 0.266 790 E C -1.737 175.039 176.600 0.294 0.000 0.893 790 E CA -0.345 56.172 56.400 0.195 0.000 0.798 790 E CB 2.021 31.847 29.700 0.210 0.000 1.245 790 E HN 0.690 nan 8.360 nan 0.000 0.410 797 E N 1.026 121.199 120.200 -0.044 0.000 2.170 797 E HA 0.245 4.595 4.350 -0.001 0.000 0.191 797 E C 1.865 178.445 176.600 -0.033 0.000 0.981 797 E CA 1.645 58.026 56.400 -0.031 0.000 0.830 797 E CB -0.121 29.562 29.700 -0.028 0.000 0.775 797 E HN 0.637 nan 8.360 nan 0.000 0.470 798 A N -0.230 122.563 122.820 -0.045 0.000 1.970 798 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 798 A C 2.200 179.758 177.584 -0.042 0.000 1.170 798 A CA 1.170 53.181 52.037 -0.044 0.000 0.645 798 A CB -0.176 18.791 19.000 -0.054 0.000 0.816 798 A HN 0.175 nan 8.150 nan 0.000 0.447 799 V N -0.477 119.407 119.914 -0.049 0.000 2.788 799 V HA -0.059 4.060 4.120 -0.001 0.000 0.251 799 V C 2.855 178.932 176.094 -0.029 0.000 1.068 799 V CA 1.320 63.593 62.300 -0.043 0.000 1.090 799 V CB -0.877 30.914 31.823 -0.054 0.000 0.710 799 V HN 0.541 nan 8.190 nan 0.000 0.467 800 A N 0.636 123.441 122.820 -0.025 0.000 1.969 800 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 800 A C 2.382 179.958 177.584 -0.014 0.000 1.169 800 A CA 1.550 53.577 52.037 -0.016 0.000 0.635 800 A CB -0.347 18.646 19.000 -0.011 0.000 0.810 800 A HN 0.525 nan 8.150 nan 0.000 0.445 801 R N -1.459 119.032 120.500 -0.014 0.000 2.161 801 R HA 0.127 4.466 4.340 -0.001 0.000 0.213 801 R C 1.914 178.209 176.300 -0.009 0.000 1.055 801 R CA 0.821 56.915 56.100 -0.010 0.000 0.996 801 R CB -0.276 30.018 30.300 -0.010 0.000 0.901 801 R HN 0.445 nan 8.270 nan 0.000 0.456 802 L N 0.467 121.681 121.223 -0.014 0.000 2.131 802 L HA 0.116 4.456 4.340 -0.001 0.000 0.206 802 L C 2.129 178.994 176.870 -0.008 0.000 1.087 802 L CA 1.490 56.322 54.840 -0.012 0.000 0.767 802 L CB -0.380 41.667 42.059 -0.021 0.000 0.917 802 L HN 0.086 nan 8.230 nan 0.000 0.441 803 A N -0.950 121.863 122.820 -0.013 0.000 2.015 803 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 803 A C 2.400 179.976 177.584 -0.014 0.000 1.163 803 A CA 1.605 53.633 52.037 -0.014 0.000 0.646 803 A CB -0.497 18.488 19.000 -0.024 0.000 0.806 803 A HN 0.433 nan 8.150 nan 0.000 0.448 804 K N -0.541 119.853 120.400 -0.010 0.000 2.155 804 K HA -0.095 4.224 4.320 -0.001 0.000 0.203 804 K C 1.988 178.599 176.600 0.017 0.000 1.052 804 K CA 1.103 57.388 56.287 -0.003 0.000 0.948 804 K CB -0.041 32.459 32.500 -0.000 0.000 0.728 804 K HN 0.542 nan 8.250 nan 0.000 0.448 805 E N 0.410 120.620 120.200 0.017 0.000 2.152 805 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 805 E C 1.734 178.357 176.600 0.038 0.000 0.983 805 E CA 0.748 57.163 56.400 0.025 0.000 0.818 805 E CB 0.340 30.050 29.700 0.016 0.000 0.758 805 E HN 0.088 nan 8.360 nan 0.000 0.467 806 V N 0.891 120.828 119.914 0.038 0.000 2.407 806 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 806 V C 2.458 178.603 176.094 0.086 0.000 1.041 806 V CA 1.303 63.636 62.300 0.054 0.000 1.040 806 V CB -0.401 31.447 31.823 0.041 0.000 0.671 806 V HN 0.248 nan 8.190 nan 0.000 0.455 807 M N -0.482 119.167 119.600 0.083 0.000 2.175 807 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 807 M C 2.156 178.597 176.300 0.235 0.000 1.063 807 M CA 1.745 57.139 55.300 0.157 0.000 1.119 807 M CB -0.297 32.314 32.600 0.018 0.000 1.377 807 M HN 0.371 nan 8.290 nan 0.000 0.415 808 E N -0.309 119.981 120.200 0.149 0.000 2.086 808 E HA -0.015 4.335 4.350 -0.001 0.000 0.190 808 E C 1.332 177.989 176.600 0.095 0.000 0.975 808 E CA 0.729 57.205 56.400 0.128 0.000 0.813 808 E CB -0.037 29.713 29.700 0.084 0.000 0.768 808 E HN 0.463 nan 8.360 nan 0.000 0.457 809 G N 1.198 110.047 108.800 0.082 0.000 3.943 809 G HA2 0.159 4.119 3.960 -0.001 0.000 0.275 809 G HA3 0.159 4.119 3.960 -0.001 0.000 0.275 809 G C 0.655 175.613 174.900 0.098 0.000 1.234 809 G CA -0.224 44.917 45.100 0.067 0.000 1.522 809 G HN 0.091 nan 8.290 nan 0.000 0.636 810 V N 0.043 120.041 119.914 0.140 0.000 2.685 810 V HA 0.420 4.539 4.120 -0.001 0.000 0.244 810 V C -0.045 176.227 176.094 0.296 0.000 1.054 810 V CA 0.763 63.179 62.300 0.194 0.000 1.076 810 V CB -0.013 31.932 31.823 0.203 0.000 0.725 810 V HN 0.381 nan 8.190 nan 0.000 0.467 811 Y N 1.309 121.668 120.300 0.099 0.000 2.482 811 Y HA 0.569 5.119 4.550 -0.001 0.000 0.334 811 Y C -2.657 173.245 175.900 0.002 0.000 1.091 811 Y CA -2.599 55.558 58.100 0.095 0.000 1.027 811 Y CB 1.925 40.489 38.460 0.174 0.000 1.306 811 Y HN 0.054 nan 8.280 nan 0.000 0.446 812 P HA 0.248 nan 4.420 nan 0.000 0.273 812 P C -0.816 176.314 177.300 -0.284 0.000 1.319 812 P CA 0.459 63.375 63.100 -0.307 0.000 0.885 812 P CB 0.467 31.981 31.700 -0.310 0.000 1.015 813 L N 1.949 123.042 121.223 -0.217 0.000 2.376 813 L HA 0.548 4.888 4.340 -0.001 0.000 0.267 813 L C 1.762 178.492 176.870 -0.234 0.000 1.035 813 L CA -0.910 53.696 54.840 -0.390 0.000 0.800 813 L CB 0.669 42.447 42.059 -0.468 0.000 1.290 813 L HN 0.167 nan 8.230 nan 0.000 0.462 814 A N 0.541 123.241 122.820 -0.200 0.000 2.067 814 A HA 0.166 4.486 4.320 -0.001 0.000 0.217 814 A C 0.546 178.122 177.584 -0.013 0.000 1.156 814 A CA 0.497 52.541 52.037 0.012 0.000 0.683 814 A CB -0.316 18.797 19.000 0.189 0.000 0.808 814 A HN 0.428 nan 8.150 nan 0.000 0.455 815 V N -2.712 117.152 119.914 -0.083 0.000 2.667 815 V HA 0.596 4.715 4.120 -0.001 0.000 0.308 815 V C -3.010 173.030 176.094 -0.089 0.000 1.048 815 V CA -2.732 59.533 62.300 -0.059 0.000 0.928 815 V CB 1.554 33.291 31.823 -0.143 0.000 1.004 815 V HN 0.149 nan 8.190 nan 0.000 0.444 816 P HA 0.347 nan 4.420 nan 0.000 0.287 816 P C -0.704 176.568 177.300 -0.046 0.000 1.307 816 P CA -0.281 62.807 63.100 -0.019 0.000 0.777 816 P CB 1.532 33.252 31.700 0.034 0.000 0.883 817 L N 3.275 124.469 121.223 -0.049 0.000 2.417 817 L HA 0.344 4.683 4.340 -0.001 0.000 0.268 817 L C 0.290 177.182 176.870 0.036 0.000 1.158 817 L CA 0.685 55.506 54.840 -0.031 0.000 0.819 817 L CB 0.052 42.107 42.059 -0.006 0.000 1.112 817 L HN 0.316 nan 8.230 nan 0.000 0.458 818 E N 3.088 123.327 120.200 0.065 0.000 2.275 818 E HA 0.444 4.793 4.350 -0.001 0.000 0.270 818 E C -1.807 174.866 176.600 0.122 0.000 0.882 818 E CA -0.483 55.968 56.400 0.085 0.000 0.758 818 E CB 2.108 31.855 29.700 0.077 0.000 1.195 818 E HN 0.387 nan 8.360 nan 0.000 0.419 819 V N 3.097 123.066 119.914 0.092 0.000 2.555 819 V HA 0.342 4.461 4.120 -0.001 0.000 0.302 819 V C 0.094 176.207 176.094 0.032 0.000 1.038 819 V CA -0.825 61.507 62.300 0.055 0.000 0.887 819 V CB 1.838 33.648 31.823 -0.023 0.000 0.991 819 V HN 0.592 nan 8.190 nan 0.000 0.434 820 E N 2.995 123.212 120.200 0.029 0.000 2.146 820 E HA 0.528 4.878 4.350 -0.001 0.000 0.282 820 E C -0.469 176.141 176.600 0.016 0.000 0.989 820 E CA -0.495 55.923 56.400 0.031 0.000 0.799 820 E CB 1.665 31.392 29.700 0.045 0.000 1.088 820 E HN 0.663 nan 8.360 nan 0.000 0.397 821 V N 1.260 121.184 119.914 0.016 0.000 3.134 821 V HA 0.949 5.068 4.120 -0.001 0.000 0.313 821 V C 0.307 176.418 176.094 0.028 0.000 1.069 821 V CA -0.155 62.153 62.300 0.014 0.000 1.048 821 V CB 1.593 33.421 31.823 0.008 0.000 1.119 821 V HN 0.718 nan 8.190 nan 0.000 0.461 822 G N 1.722 110.542 108.800 0.034 0.000 2.334 822 G HA2 0.575 4.535 3.960 -0.001 0.000 0.290 822 G HA3 0.575 4.535 3.960 -0.001 0.000 0.290 822 G C -1.354 173.576 174.900 0.050 0.000 1.310 822 G CA -0.655 44.473 45.100 0.047 0.000 1.308 822 G HN 0.792 nan 8.290 nan 0.000 0.612 823 I N 1.716 122.310 120.570 0.040 0.000 2.412 823 I HA 0.861 5.030 4.170 -0.001 0.000 0.296 823 I C 0.754 176.899 176.117 0.047 0.000 0.987 823 I CA -0.505 60.818 61.300 0.038 0.000 1.180 823 I CB 2.181 40.194 38.000 0.022 0.000 1.340 823 I HN 0.702 nan 8.210 nan 0.000 0.455 824 G N 3.528 112.362 108.800 0.056 0.000 2.495 824 G HA2 0.251 4.211 3.960 -0.001 0.000 0.294 824 G HA3 0.251 4.211 3.960 -0.001 0.000 0.294 824 G C -0.330 174.610 174.900 0.068 0.000 1.397 824 G CA -0.428 44.708 45.100 0.061 0.000 0.790 824 G HN 0.574 nan 8.290 nan 0.000 0.486 825 E N -0.585 119.654 120.200 0.065 0.000 2.112 825 E HA 0.039 4.389 4.350 -0.001 0.000 0.190 825 E C 0.364 177.014 176.600 0.083 0.000 0.979 825 E CA 1.171 57.612 56.400 0.068 0.000 0.814 825 E CB 0.137 29.869 29.700 0.052 0.000 0.762 825 E HN 0.639 nan 8.360 nan 0.000 0.460 826 D N -1.703 118.753 120.400 0.094 0.000 2.497 826 D HA -0.011 4.628 4.640 -0.001 0.000 0.243 826 D C 0.105 176.538 176.300 0.221 0.000 1.039 826 D CA -0.726 53.357 54.000 0.138 0.000 1.052 826 D CB 0.693 41.550 40.800 0.093 0.000 1.344 826 D HN -0.074 nan 8.370 nan 0.000 0.553 827 W N 0.266 121.603 121.300 0.061 0.000 2.465 827 W HA -0.027 4.632 4.660 -0.001 0.000 0.268 827 W C 1.687 178.222 176.519 0.027 0.000 1.242 827 W CA 0.320 57.693 57.345 0.048 0.000 1.248 827 W CB -0.546 28.947 29.460 0.055 0.000 1.118 827 W HN 0.426 nan 8.180 nan 0.000 0.587 828 L N 0.090 121.412 121.223 0.165 0.000 2.209 828 L HA 0.000 4.340 4.340 -0.001 0.000 0.207 828 L C 2.272 179.172 176.870 0.049 0.000 1.094 828 L CA 1.788 56.651 54.840 0.038 0.000 0.790 828 L CB -0.818 41.244 42.059 0.005 0.000 0.932 828 L HN -0.293 nan 8.230 nan 0.000 0.447 829 S N -0.562 115.184 115.700 0.076 0.000 2.453 829 S HA 0.073 4.543 4.470 -0.001 0.000 0.231 829 S C 1.854 176.497 174.600 0.073 0.000 1.005 829 S CA 0.807 59.044 58.200 0.061 0.000 0.949 829 S CB -0.109 63.125 63.200 0.057 0.000 0.774 829 S HN 0.592 nan 8.310 nan 0.000 0.510 830 A N 0.622 123.509 122.820 0.112 0.000 2.115 830 A HA 0.228 4.548 4.320 -0.001 0.000 0.211 830 A C 1.287 178.934 177.584 0.105 0.000 1.169 830 A CA 0.300 52.407 52.037 0.118 0.000 0.787 830 A CB 0.055 19.156 19.000 0.167 0.000 0.858 830 A HN 0.174 nan 8.150 nan 0.000 0.474 831 K N -0.935 119.518 120.400 0.087 0.000 8.640 831 K HA -0.201 4.118 4.320 -0.001 0.000 0.409 831 K C 0.088 176.715 176.600 0.045 0.000 0.538 831 K CA 2.167 58.470 56.287 0.025 0.000 1.437 831 K CB -1.304 31.204 32.500 0.013 0.000 0.799 831 K HN 0.556 nan 8.250 nan 0.000 1.060 832 E N 0.000 120.234 120.200 0.057 0.000 2.725 832 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 832 E CA 0.000 56.444 56.400 0.073 0.000 0.976 832 E CB 0.000 29.729 29.700 0.048 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440