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 1xsk_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 0.000 176.163 176.300 -0.228 0.000 1.140 1 M CA 0.000 55.166 55.300 -0.223 0.000 0.988 1 M CB 0.000 32.384 32.600 -0.360 0.000 1.302 2 K N 4.724 125.013 120.400 -0.186 0.000 2.447 2 K HA 0.250 4.570 4.320 -0.000 0.000 0.281 2 K C 0.357 176.822 176.600 -0.225 0.000 1.031 2 K CA 0.276 56.458 56.287 -0.176 0.000 1.019 2 K CB 0.697 33.120 32.500 -0.127 0.000 0.918 2 K HN 0.731 nan 8.250 nan 0.000 0.476 3 I N 0.238 120.656 120.570 -0.253 0.000 3.565 3 I HA -0.103 4.067 4.170 -0.000 0.000 0.287 3 I C 0.882 176.872 176.117 -0.211 0.000 1.193 3 I CA 0.215 61.332 61.300 -0.305 0.000 1.402 3 I CB 0.352 38.041 38.000 -0.518 0.000 1.284 3 I HN 0.507 nan 8.210 nan 0.000 0.454 4 S N -0.102 115.493 115.700 -0.175 0.000 2.687 4 S HA 0.326 4.796 4.470 -0.000 0.000 0.283 4 S C -0.494 174.049 174.600 -0.094 0.000 1.170 4 S CA -0.528 57.601 58.200 -0.118 0.000 1.008 4 S CB 2.071 65.204 63.200 -0.113 0.000 1.026 4 S HN 0.170 nan 8.310 nan 0.000 0.541 5 D N 0.045 120.407 120.400 -0.064 0.000 2.456 5 D HA 0.520 5.160 4.640 -0.000 0.000 0.287 5 D C 0.605 176.885 176.300 -0.033 0.000 1.186 5 D CA 0.789 54.763 54.000 -0.043 0.000 0.916 5 D CB -0.100 40.687 40.800 -0.021 0.000 1.029 5 D HN 1.143 nan 8.370 nan 0.000 0.498 6 G N 2.673 111.434 108.800 -0.066 0.000 2.725 6 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 6 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 6 G C 0.684 175.472 174.900 -0.187 0.000 1.357 6 G CA -0.075 44.969 45.100 -0.094 0.000 0.866 6 G HN 0.475 nan 8.290 nan 0.000 0.548 7 N N -0.723 117.750 118.700 -0.377 0.000 2.270 7 N HA 0.029 4.769 4.740 -0.000 0.000 0.181 7 N C 1.963 177.111 175.510 -0.602 0.000 1.016 7 N CA 2.498 55.163 53.050 -0.642 0.000 0.870 7 N CB -0.121 37.714 38.487 -1.087 0.000 0.979 7 N HN 0.633 nan 8.380 nan 0.000 0.431 8 W N -0.064 121.230 121.300 -0.010 0.000 2.704 8 W HA 0.354 5.014 4.660 -0.000 0.000 0.266 8 W C 0.353 176.867 176.519 -0.008 0.000 1.266 8 W CA -0.570 56.771 57.345 -0.007 0.000 1.377 8 W CB 0.147 29.603 29.460 -0.007 0.000 1.082 8 W HN -0.118 nan 8.180 nan 0.000 0.608 9 L N 0.043 121.365 121.223 0.164 0.000 2.299 9 L HA 0.630 4.970 4.340 -0.000 0.000 0.268 9 L C -0.147 176.740 176.870 0.027 0.000 1.012 9 L CA -1.287 53.608 54.840 0.092 0.000 0.816 9 L CB 1.351 43.459 42.059 0.081 0.000 1.355 9 L HN -0.289 nan 8.230 nan 0.000 0.457 10 I N -0.370 120.207 120.570 0.011 0.000 2.785 10 I HA 0.226 4.396 4.170 -0.000 0.000 0.302 10 I C -0.568 175.529 176.117 -0.035 0.000 1.069 10 I CA -0.985 60.301 61.300 -0.023 0.000 1.045 10 I CB 2.094 40.083 38.000 -0.019 0.000 1.236 10 I HN 0.489 nan 8.210 nan 0.000 0.429 11 Q N 4.061 123.823 119.800 -0.063 0.000 2.263 11 Q HA 0.121 4.461 4.340 -0.000 0.000 0.289 11 Q C -2.261 173.710 176.000 -0.048 0.000 1.061 11 Q CA -1.311 54.455 55.803 -0.062 0.000 0.927 11 Q CB -0.104 28.579 28.738 -0.092 0.000 1.154 11 Q HN 0.193 nan 8.270 nan 0.000 0.378 12 P HA -0.073 nan 4.420 nan 0.000 0.261 12 P C 0.616 177.898 177.300 -0.030 0.000 1.173 12 P CA 1.328 64.412 63.100 -0.026 0.000 0.760 12 P CB 0.337 32.025 31.700 -0.020 0.000 0.783 13 G N 2.006 110.791 108.800 -0.026 0.000 2.176 13 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 13 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 13 G C -0.112 174.767 174.900 -0.036 0.000 0.979 13 G CA -0.376 44.709 45.100 -0.026 0.000 0.641 13 G HN 0.457 nan 8.290 nan 0.000 0.530 14 L N 0.773 121.968 121.223 -0.048 0.000 2.309 14 L HA 0.531 4.871 4.340 -0.000 0.000 0.282 14 L C -0.528 176.303 176.870 -0.065 0.000 1.036 14 L CA -1.012 53.788 54.840 -0.067 0.000 0.806 14 L CB 1.358 43.360 42.059 -0.095 0.000 1.220 14 L HN -0.012 nan 8.230 nan 0.000 0.429 15 N N 4.565 123.219 118.700 -0.077 0.000 2.443 15 N HA 0.558 5.298 4.740 -0.000 0.000 0.269 15 N C -0.991 174.459 175.510 -0.101 0.000 0.985 15 N CA -0.358 52.650 53.050 -0.070 0.000 0.921 15 N CB 2.232 40.690 38.487 -0.049 0.000 1.195 15 N HN 0.414 nan 8.380 nan 0.000 0.492 16 L N 2.581 123.739 121.223 -0.108 0.000 2.334 16 L HA 0.686 5.026 4.340 -0.000 0.000 0.276 16 L C 0.240 176.951 176.870 -0.266 0.000 1.014 16 L CA -1.113 53.624 54.840 -0.172 0.000 0.815 16 L CB 1.531 43.490 42.059 -0.167 0.000 1.268 16 L HN 0.418 nan 8.230 nan 0.000 0.428 17 I N -1.582 118.837 120.570 -0.251 0.000 2.533 17 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 17 I C -1.116 174.914 176.117 -0.144 0.000 1.056 17 I CA -0.586 60.611 61.300 -0.170 0.000 1.057 17 I CB 2.140 40.150 38.000 0.016 0.000 1.240 17 I HN 0.516 nan 8.210 nan 0.000 0.423 18 H N 4.419 123.555 119.070 0.111 0.000 2.679 18 H HA 0.527 5.083 4.556 -0.000 0.000 0.367 18 H C -2.702 172.421 175.328 -0.341 0.000 1.162 18 H CA -2.240 53.699 56.048 -0.182 0.000 1.181 18 H CB 2.291 31.936 29.762 -0.195 0.000 1.693 18 H HN 0.451 nan 8.280 nan 0.000 0.538 19 P HA 0.165 nan 4.420 nan 0.000 0.281 19 P C 0.234 176.865 177.300 -1.115 0.000 1.286 19 P CA -0.142 62.453 63.100 -0.843 0.000 0.772 19 P CB 0.964 31.984 31.700 -1.134 0.000 0.862 20 L N 1.991 122.825 121.223 -0.648 0.000 2.966 20 L HA 0.336 4.676 4.340 -0.000 0.000 0.262 20 L C 0.907 177.727 176.870 -0.083 0.000 1.165 20 L CA 0.206 54.782 54.840 -0.439 0.000 0.978 20 L CB 0.395 42.357 42.059 -0.161 0.000 1.337 20 L HN 0.419 nan 8.230 nan 0.000 0.563 21 Q N 0.932 120.736 119.800 0.007 0.000 2.364 21 Q HA 0.285 4.625 4.340 -0.000 0.000 0.257 21 Q C -1.539 174.684 176.000 0.373 0.000 0.956 21 Q CA -0.360 55.608 55.803 0.276 0.000 0.924 21 Q CB 2.924 31.748 28.738 0.144 0.000 1.413 21 Q HN -0.118 nan 8.270 nan 0.000 0.418 22 V N 5.141 125.338 119.914 0.472 0.000 2.585 22 V HA 0.068 4.188 4.120 -0.000 0.000 0.296 22 V C 0.465 176.754 176.094 0.324 0.000 1.035 22 V CA 0.681 63.229 62.300 0.413 0.000 1.084 22 V CB 0.519 32.505 31.823 0.272 0.000 0.953 22 V HN 0.838 nan 8.190 nan 0.000 0.483 23 F N 2.847 122.930 119.950 0.221 0.000 2.602 23 F HA 0.410 4.936 4.527 -0.000 0.000 0.284 23 F C 0.799 176.698 175.800 0.165 0.000 1.111 23 F CA 0.429 58.529 58.000 0.167 0.000 1.405 23 F CB 0.600 39.695 39.000 0.157 0.000 1.121 23 F HN 0.566 nan 8.300 nan 0.000 0.603 24 E N 0.510 120.786 120.200 0.126 0.000 2.380 24 E HA 0.472 4.822 4.350 -0.000 0.000 0.281 24 E C -2.073 174.678 176.600 0.251 0.000 0.999 24 E CA -0.670 55.761 56.400 0.053 0.000 0.800 24 E CB 2.299 32.021 29.700 0.037 0.000 1.228 24 E HN -0.132 nan 8.360 nan 0.000 0.436 25 V N 2.736 122.739 119.914 0.149 0.000 2.604 25 V HA 0.546 4.666 4.120 -0.000 0.000 0.305 25 V C -0.614 175.563 176.094 0.139 0.000 1.043 25 V CA -0.607 61.776 62.300 0.139 0.000 0.888 25 V CB 1.759 33.630 31.823 0.080 0.000 0.995 25 V HN 0.692 nan 8.190 nan 0.000 0.429 26 E N 2.898 123.182 120.200 0.141 0.000 2.290 26 E HA 0.413 4.763 4.350 -0.000 0.000 0.274 26 E C -1.265 175.398 176.600 0.106 0.000 0.889 26 E CA -0.648 55.834 56.400 0.137 0.000 0.760 26 E CB 2.241 32.068 29.700 0.212 0.000 1.206 26 E HN 0.746 nan 8.360 nan 0.000 0.419 27 Q N 3.418 123.274 119.800 0.094 0.000 2.278 27 Q HA 0.217 4.557 4.340 -0.000 0.000 0.257 27 Q C -1.066 174.985 176.000 0.085 0.000 0.928 27 Q CA -0.332 55.527 55.803 0.095 0.000 0.932 27 Q CB 1.101 29.890 28.738 0.085 0.000 1.221 27 Q HN 0.477 nan 8.270 nan 0.000 0.434 28 Q N 4.925 124.776 119.800 0.086 0.000 2.607 28 Q HA 0.193 4.533 4.340 -0.000 0.000 0.247 28 Q C -0.772 175.272 176.000 0.075 0.000 1.033 28 Q CA -0.515 55.330 55.803 0.069 0.000 0.769 28 Q CB 0.966 29.735 28.738 0.052 0.000 1.169 28 Q HN 0.843 nan 8.270 nan 0.000 0.508 29 D N 1.759 122.202 120.400 0.072 0.000 4.230 29 D HA -0.226 4.414 4.640 -0.000 0.000 0.136 29 D C 0.394 176.758 176.300 0.106 0.000 0.802 29 D CA 1.802 55.846 54.000 0.074 0.000 1.112 29 D CB -0.824 40.014 40.800 0.063 0.000 0.557 29 D HN 0.714 nan 8.370 nan 0.000 0.557 30 N N 2.410 121.190 118.700 0.132 0.000 2.451 30 N HA 0.130 4.870 4.740 -0.000 0.000 0.264 30 N C -0.718 174.996 175.510 0.339 0.000 1.167 30 N CA 0.334 53.506 53.050 0.203 0.000 0.898 30 N CB 0.482 39.070 38.487 0.168 0.000 1.176 30 N HN 0.427 nan 8.380 nan 0.000 0.507 31 E N 0.463 120.816 120.200 0.256 0.000 2.314 31 E HA 0.305 4.655 4.350 -0.000 0.000 0.272 31 E C -1.280 175.418 176.600 0.164 0.000 0.884 31 E CA -0.610 55.907 56.400 0.195 0.000 0.753 31 E CB 2.731 32.479 29.700 0.081 0.000 1.213 31 E HN 0.165 nan 8.360 nan 0.000 0.432 32 M N 3.417 123.093 119.600 0.127 0.000 2.227 32 M HA 0.405 4.885 4.480 -0.000 0.000 0.335 32 M C -1.692 174.692 176.300 0.139 0.000 1.053 32 M CA -0.768 54.631 55.300 0.165 0.000 0.973 32 M CB 1.121 33.862 32.600 0.235 0.000 1.623 32 M HN 0.256 nan 8.290 nan 0.000 0.434 33 V N 5.877 125.832 119.914 0.069 0.000 2.384 33 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 33 V C -0.608 175.438 176.094 -0.081 0.000 1.020 33 V CA -0.705 61.560 62.300 -0.058 0.000 0.850 33 V CB 1.609 33.337 31.823 -0.159 0.000 0.987 33 V HN 0.667 nan 8.190 nan 0.000 0.436 34 V N 5.689 125.567 119.914 -0.060 0.000 2.378 34 V HA 0.431 4.551 4.120 -0.000 0.000 0.288 34 V C -1.031 175.048 176.094 -0.025 0.000 1.016 34 V CA -0.719 61.613 62.300 0.054 0.000 0.840 34 V CB 1.471 33.460 31.823 0.277 0.000 0.994 34 V HN 0.744 nan 8.190 nan 0.000 0.431 35 Y N 3.355 123.817 120.300 0.269 0.000 2.367 35 Y HA 0.685 5.235 4.550 -0.000 0.000 0.342 35 Y C 0.566 176.668 175.900 0.337 0.000 0.979 35 Y CA -0.342 57.928 58.100 0.284 0.000 1.161 35 Y CB 1.403 40.052 38.460 0.314 0.000 1.155 35 Y HN 0.690 nan 8.280 nan 0.000 0.503 36 A N 2.412 125.481 122.820 0.415 0.000 2.342 36 A HA 0.904 5.224 4.320 -0.000 0.000 0.323 36 A C -0.662 177.071 177.584 0.248 0.000 1.125 36 A CA -0.616 51.613 52.037 0.321 0.000 0.785 36 A CB 0.733 19.823 19.000 0.149 0.000 1.221 36 A HN 0.780 nan 8.150 nan 0.000 0.463 37 A N 2.435 125.361 122.820 0.176 0.000 2.282 37 A HA 0.768 5.088 4.320 -0.000 0.000 0.319 37 A C -2.269 175.354 177.584 0.066 0.000 1.121 37 A CA -1.708 50.395 52.037 0.109 0.000 0.836 37 A CB 0.542 19.587 19.000 0.075 0.000 1.146 37 A HN 0.477 nan 8.150 nan 0.000 0.494 38 P HA 0.098 nan 4.420 nan 0.000 0.249 38 P C -0.163 177.132 177.300 -0.008 0.000 1.229 38 P CA 0.535 63.671 63.100 0.059 0.000 0.788 38 P CB 0.057 31.799 31.700 0.069 0.000 1.072 39 R N -2.780 117.704 120.500 -0.027 0.000 2.741 39 R HA 0.405 4.745 4.340 -0.000 0.000 0.274 39 R C -1.558 174.695 176.300 -0.078 0.000 1.029 39 R CA -0.916 55.136 56.100 -0.080 0.000 0.880 39 R CB -0.146 30.077 30.300 -0.129 0.000 1.264 39 R HN -0.363 nan 8.270 nan 0.000 0.465 40 D N 1.436 121.747 120.400 -0.148 0.000 2.363 40 D HA 0.096 4.736 4.640 -0.000 0.000 0.263 40 D C 0.416 176.666 176.300 -0.083 0.000 1.258 40 D CA -0.060 53.870 54.000 -0.118 0.000 0.907 40 D CB 1.330 42.022 40.800 -0.180 0.000 1.107 40 D HN 0.492 nan 8.370 nan 0.000 0.495 41 V N 2.046 121.998 119.914 0.064 0.000 2.887 41 V HA 0.361 4.481 4.120 -0.000 0.000 0.370 41 V C 1.442 177.676 176.094 0.233 0.000 1.322 41 V CA -0.506 61.895 62.300 0.168 0.000 1.267 41 V CB -0.046 31.858 31.823 0.135 0.000 1.344 41 V HN 0.368 nan 8.190 nan 0.000 0.573 42 R N 0.438 121.042 120.500 0.173 0.000 2.189 42 R HA 0.149 4.489 4.340 -0.000 0.000 0.218 42 R C 0.311 176.719 176.300 0.180 0.000 1.074 42 R CA 0.664 56.860 56.100 0.161 0.000 0.991 42 R CB 0.282 30.638 30.300 0.094 0.000 0.883 42 R HN 0.600 nan 8.270 nan 0.000 0.457 43 E N 0.358 120.703 120.200 0.241 0.000 2.214 43 E HA 0.148 4.498 4.350 -0.000 0.000 0.274 43 E C 0.626 177.339 176.600 0.189 0.000 0.977 43 E CA -0.397 56.136 56.400 0.221 0.000 0.827 43 E CB 1.152 31.029 29.700 0.294 0.000 1.130 43 E HN 0.022 nan 8.360 nan 0.000 0.394 44 R N 0.496 121.059 120.500 0.104 0.000 2.105 44 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 44 R C 1.914 178.210 176.300 -0.006 0.000 1.135 44 R CA 1.464 57.600 56.100 0.060 0.000 0.967 44 R CB -0.602 29.716 30.300 0.030 0.000 0.861 44 R HN 0.502 nan 8.270 nan 0.000 0.442 45 T N -0.396 114.105 114.554 -0.088 0.000 2.849 45 T HA -0.153 4.197 4.350 -0.000 0.000 0.270 45 T C 0.864 175.324 174.700 -0.400 0.000 1.066 45 T CA 1.185 63.106 62.100 -0.297 0.000 1.130 45 T CB -0.132 68.454 68.868 -0.471 0.000 0.864 45 T HN 0.482 nan 8.240 nan 0.000 0.481 46 W N 0.897 122.196 121.300 -0.002 0.000 3.239 46 W HA 0.381 5.041 4.660 -0.000 0.000 0.348 46 W C 1.299 177.795 176.519 -0.037 0.000 1.183 46 W CA -0.696 56.642 57.345 -0.012 0.000 1.819 46 W CB 0.301 29.761 29.460 -0.000 0.000 1.091 46 W HN 0.161 nan 8.180 nan 0.000 0.629 47 Q N 1.600 121.461 119.800 0.102 0.000 2.620 47 Q HA 0.261 4.601 4.340 -0.000 0.000 0.333 47 Q C -0.876 175.095 176.000 -0.047 0.000 1.017 47 Q CA 0.062 55.861 55.803 -0.006 0.000 0.962 47 Q CB -0.416 28.314 28.738 -0.013 0.000 1.297 47 Q HN 0.133 nan 8.270 nan 0.000 0.419 48 L N -5.153 116.061 121.223 -0.015 0.000 2.947 48 L HA 0.448 4.788 4.340 -0.000 0.000 0.267 48 L C -0.985 175.889 176.870 0.007 0.000 1.004 48 L CA -1.062 53.761 54.840 -0.029 0.000 0.937 48 L CB 0.894 42.927 42.059 -0.044 0.000 1.496 48 L HN -0.125 nan 8.230 nan 0.000 0.409 49 D N -0.047 120.353 120.400 -0.000 0.000 2.746 49 D HA -0.115 4.525 4.640 -0.000 0.000 0.241 49 D C -0.270 176.056 176.300 0.044 0.000 1.140 49 D CA 1.818 55.832 54.000 0.022 0.000 0.707 49 D CB -0.483 40.334 40.800 0.028 0.000 1.034 49 D HN 1.075 nan 8.370 nan 0.000 0.423 50 T N -1.027 113.537 114.554 0.017 0.000 2.957 50 T HA 0.463 4.813 4.350 -0.000 0.000 0.336 50 T C -2.651 172.026 174.700 -0.038 0.000 1.462 50 T CA -1.089 61.015 62.100 0.006 0.000 1.073 50 T CB 1.650 70.531 68.868 0.022 0.000 1.319 50 T HN -0.215 nan 8.240 nan 0.000 0.485 51 P HA 0.497 nan 4.420 nan 0.000 0.273 51 P C -1.379 175.809 177.300 -0.186 0.000 1.250 51 P CA -0.817 62.189 63.100 -0.156 0.000 0.793 51 P CB 0.396 31.943 31.700 -0.255 0.000 1.011 52 L N 1.853 122.919 121.223 -0.261 0.000 2.596 52 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 52 L C -1.538 175.247 176.870 -0.141 0.000 0.962 52 L CA -0.388 54.370 54.840 -0.137 0.000 0.891 52 L CB 0.527 42.549 42.059 -0.062 0.000 1.248 52 L HN 0.295 nan 8.230 nan 0.000 0.410 53 F N 2.488 122.459 119.950 0.036 0.000 2.399 53 F HA 0.419 4.946 4.527 -0.000 0.000 0.342 53 F C 1.045 176.899 175.800 0.090 0.000 1.106 53 F CA -0.003 58.019 58.000 0.036 0.000 1.196 53 F CB 1.537 40.526 39.000 -0.018 0.000 1.163 53 F HN 0.342 nan 8.300 nan 0.000 0.547 54 T N 5.109 119.808 114.554 0.241 0.000 2.821 54 T HA 0.493 4.843 4.350 -0.000 0.000 0.307 54 T C -0.589 174.115 174.700 0.005 0.000 1.034 54 T CA -0.500 61.642 62.100 0.071 0.000 0.953 54 T CB 0.263 69.166 68.868 0.058 0.000 0.968 54 T HN 0.157 nan 8.240 nan 0.000 0.462 55 L N 3.744 124.940 121.223 -0.046 0.000 2.265 55 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 55 L C 0.434 177.136 176.870 -0.280 0.000 1.033 55 L CA -0.327 54.425 54.840 -0.145 0.000 0.814 55 L CB 0.975 43.017 42.059 -0.028 0.000 1.203 55 L HN 0.414 nan 8.230 nan 0.000 0.423 56 R N 3.093 123.372 120.500 -0.369 0.000 2.393 56 R HA 0.611 4.951 4.340 -0.000 0.000 0.310 56 R C -1.503 174.538 176.300 -0.432 0.000 0.968 56 R CA -0.458 55.470 56.100 -0.287 0.000 0.867 56 R CB 0.803 30.983 30.300 -0.199 0.000 1.124 56 R HN 0.334 nan 8.270 nan 0.000 0.450 57 F N 6.002 125.858 119.950 -0.157 0.000 2.444 57 F HA 0.497 5.024 4.527 -0.000 0.000 0.342 57 F C -0.376 174.992 175.800 -0.720 0.000 1.121 57 F CA -0.538 57.200 58.000 -0.437 0.000 0.997 57 F CB 1.312 39.978 39.000 -0.557 0.000 1.130 57 F HN 0.449 nan 8.300 nan 0.000 0.454 58 F N -0.272 119.241 119.950 -0.729 0.000 2.715 58 F HA 0.781 5.308 4.527 -0.000 0.000 0.318 58 F C -1.013 174.785 175.800 -0.003 0.000 1.141 58 F CA -1.770 55.951 58.000 -0.464 0.000 0.950 58 F CB 1.513 40.428 39.000 -0.142 0.000 1.374 58 F HN 0.213 nan 8.300 nan 0.000 0.477 59 S N 1.370 117.268 115.700 0.329 0.000 2.733 59 S HA 0.530 5.000 4.470 -0.000 0.000 0.294 59 S C -2.269 172.431 174.600 0.166 0.000 1.149 59 S CA -1.318 57.012 58.200 0.216 0.000 1.034 59 S CB 1.591 64.984 63.200 0.323 0.000 1.015 59 S HN 0.607 nan 8.310 nan 0.000 0.486 60 P HA 0.158 nan 4.420 nan 0.000 0.239 60 P C -0.343 176.887 177.300 -0.117 0.000 1.188 60 P CA 0.403 63.501 63.100 -0.003 0.000 0.794 60 P CB 0.383 32.007 31.700 -0.128 0.000 0.937 61 Q N -0.782 118.902 119.800 -0.194 0.000 2.479 61 Q HA 0.161 4.501 4.340 -0.000 0.000 0.276 61 Q C -0.812 175.112 176.000 -0.127 0.000 0.989 61 Q CA -0.775 54.929 55.803 -0.165 0.000 0.864 61 Q CB 1.934 30.521 28.738 -0.251 0.000 1.444 61 Q HN -0.086 nan 8.270 nan 0.000 0.388 62 E N 0.361 120.510 120.200 -0.085 0.000 2.558 62 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 62 E C 0.588 177.140 176.600 -0.079 0.000 0.968 62 E CA 1.998 58.356 56.400 -0.070 0.000 0.939 62 E CB 0.330 29.995 29.700 -0.058 0.000 0.921 62 E HN 0.822 nan 8.360 nan 0.000 0.477 63 G N 4.182 112.944 108.800 -0.064 0.000 2.176 63 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.253 63 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.253 63 G C 0.307 175.173 174.900 -0.056 0.000 0.979 63 G CA 0.260 45.329 45.100 -0.052 0.000 0.641 63 G HN 0.519 nan 8.290 nan 0.000 0.530 64 I N 0.995 121.513 120.570 -0.087 0.000 2.410 64 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 64 I C -0.216 175.886 176.117 -0.026 0.000 1.009 64 I CA -1.081 60.151 61.300 -0.113 0.000 1.111 64 I CB 2.191 39.979 38.000 -0.354 0.000 1.262 64 I HN -0.131 nan 8.210 nan 0.000 0.443 65 V N 5.531 125.465 119.914 0.033 0.000 2.328 65 V HA 0.471 4.591 4.120 -0.000 0.000 0.278 65 V C 0.676 176.685 176.094 -0.142 0.000 1.021 65 V CA -0.493 61.850 62.300 0.071 0.000 0.838 65 V CB 1.408 33.381 31.823 0.250 0.000 0.999 65 V HN 0.869 nan 8.190 nan 0.000 0.447 66 G N 3.886 112.374 108.800 -0.520 0.000 2.372 66 G HA2 0.541 4.501 3.960 -0.000 0.000 0.283 66 G HA3 0.541 4.501 3.960 -0.000 0.000 0.283 66 G C -0.803 173.504 174.900 -0.987 0.000 1.177 66 G CA -0.271 44.103 45.100 -1.210 0.000 0.842 66 G HN 0.535 nan 8.290 nan 0.000 0.503 67 V N 2.915 122.308 119.914 -0.869 0.000 2.444 67 V HA 0.512 4.632 4.120 -0.000 0.000 0.294 67 V C 0.155 175.976 176.094 -0.454 0.000 1.022 67 V CA -0.875 60.993 62.300 -0.721 0.000 0.850 67 V CB 1.621 32.924 31.823 -0.868 0.000 0.992 67 V HN 0.796 nan 8.190 nan 0.000 0.426 68 R N 5.377 125.721 120.500 -0.260 0.000 2.358 68 R HA 0.569 4.909 4.340 -0.000 0.000 0.309 68 R C -1.248 175.028 176.300 -0.039 0.000 1.026 68 R CA -0.496 55.578 56.100 -0.042 0.000 0.909 68 R CB 0.826 31.117 30.300 -0.014 0.000 1.153 68 R HN 0.726 nan 8.270 nan 0.000 0.515 69 I N 5.389 126.011 120.570 0.086 0.000 2.291 69 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 69 I C 0.121 176.385 176.117 0.245 0.000 1.050 69 I CA -0.241 61.132 61.300 0.121 0.000 1.245 69 I CB 1.100 39.167 38.000 0.113 0.000 1.405 69 I HN 0.576 nan 8.210 nan 0.000 0.478 70 E N 5.292 125.631 120.200 0.231 0.000 2.288 70 E HA 0.383 4.733 4.350 -0.000 0.000 0.268 70 E C -0.545 176.173 176.600 0.197 0.000 0.885 70 E CA -0.752 55.804 56.400 0.260 0.000 0.767 70 E CB 2.366 32.193 29.700 0.212 0.000 1.220 70 E HN 0.571 nan 8.360 nan 0.000 0.427 71 H N 2.041 121.074 119.070 -0.061 0.000 2.599 71 H HA 0.189 4.745 4.556 -0.000 0.000 0.330 71 H C -0.347 174.808 175.328 -0.287 0.000 1.312 71 H CA -0.320 55.453 56.048 -0.459 0.000 1.985 71 H CB 0.205 29.402 29.762 -0.942 0.000 1.570 71 H HN 0.396 nan 8.280 nan 0.000 0.647 72 F N 1.754 121.456 119.950 -0.414 0.000 2.427 72 F HA 0.149 4.676 4.527 -0.000 0.000 0.352 72 F C 1.240 176.979 175.800 -0.103 0.000 1.100 72 F CA 0.010 57.807 58.000 -0.338 0.000 1.191 72 F CB 1.195 39.996 39.000 -0.331 0.000 1.128 72 F HN 0.411 nan 8.300 nan 0.000 0.533 73 Q N 1.574 121.446 119.800 0.121 0.000 2.280 73 Q HA 0.147 4.487 4.340 -0.000 0.000 0.201 73 Q C 1.818 177.840 176.000 0.036 0.000 0.890 73 Q CA 0.194 56.035 55.803 0.063 0.000 0.947 73 Q CB 0.526 29.279 28.738 0.025 0.000 1.081 73 Q HN 1.022 nan 8.270 nan 0.000 0.502 74 G N 0.483 109.295 108.800 0.020 0.000 2.683 74 G HA2 0.182 4.142 3.960 -0.000 0.000 0.213 74 G HA3 0.182 4.142 3.960 -0.000 0.000 0.213 74 G C 0.673 175.575 174.900 0.003 0.000 1.142 74 G CA 0.358 45.441 45.100 -0.029 0.000 0.793 74 G HN 0.369 nan 8.290 nan 0.000 0.534 75 A N -0.111 122.745 122.820 0.059 0.000 2.504 75 A HA 0.362 4.682 4.320 -0.000 0.000 0.242 75 A C 1.578 179.209 177.584 0.079 0.000 1.100 75 A CA -0.012 52.077 52.037 0.086 0.000 0.786 75 A CB 0.241 19.334 19.000 0.154 0.000 1.050 75 A HN 0.211 nan 8.150 nan 0.000 0.512 76 L N 0.220 121.492 121.223 0.082 0.000 2.023 76 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 76 L C 0.549 177.482 176.870 0.106 0.000 1.073 76 L CA 1.152 56.038 54.840 0.078 0.000 0.745 76 L CB -0.813 41.287 42.059 0.068 0.000 0.900 76 L HN 0.899 nan 8.230 nan 0.000 0.435 77 N N 1.548 120.336 118.700 0.146 0.000 2.473 77 N HA -0.164 4.576 4.740 -0.000 0.000 0.298 77 N C -0.899 174.715 175.510 0.173 0.000 1.390 77 N CA -0.120 53.051 53.050 0.201 0.000 0.659 77 N CB -0.663 37.969 38.487 0.240 0.000 0.968 77 N HN 0.361 nan 8.380 nan 0.000 0.508 78 N N 0.322 119.104 118.700 0.137 0.000 2.457 78 N HA 0.499 5.239 4.740 -0.000 0.000 0.290 78 N C 0.774 176.254 175.510 -0.049 0.000 1.232 78 N CA -0.264 52.834 53.050 0.080 0.000 0.852 78 N CB 1.189 39.709 38.487 0.055 0.000 1.313 78 N HN 0.396 nan 8.380 nan 0.000 0.522 79 G N 0.294 108.978 108.800 -0.194 0.000 2.570 79 G HA2 0.258 4.218 3.960 -0.000 0.000 0.276 79 G HA3 0.258 4.218 3.960 -0.000 0.000 0.276 79 G C -2.347 172.336 174.900 -0.362 0.000 1.346 79 G CA -0.512 44.219 45.100 -0.614 0.000 1.034 79 G HN 0.323 nan 8.290 nan 0.000 0.512 80 P HA 0.222 nan 4.420 nan 0.000 0.276 80 P C -0.977 175.846 177.300 -0.795 0.000 1.252 80 P CA -0.114 62.637 63.100 -0.581 0.000 0.802 80 P CB 1.134 32.503 31.700 -0.552 0.000 1.035 81 H N -0.326 118.552 119.070 -0.320 0.000 2.621 81 H HA 0.282 4.838 4.556 -0.000 0.000 0.360 81 H C 0.069 175.225 175.328 -0.286 0.000 1.163 81 H CA -0.358 55.533 56.048 -0.261 0.000 1.194 81 H CB 0.330 30.037 29.762 -0.093 0.000 1.649 81 H HN 0.350 nan 8.280 nan 0.000 0.532 82 Y N 2.156 122.413 120.300 -0.072 0.000 2.683 82 Y HA -0.016 4.534 4.550 -0.000 0.000 0.340 82 Y C -1.231 174.548 175.900 -0.201 0.000 1.245 82 Y CA -1.514 56.489 58.100 -0.162 0.000 1.485 82 Y CB 0.026 38.410 38.460 -0.127 0.000 1.328 82 Y HN 0.394 nan 8.280 nan 0.000 0.603 83 P HA 0.020 nan 4.420 nan 0.000 0.249 83 P C -0.653 176.494 177.300 -0.255 0.000 1.686 83 P CA 0.028 63.018 63.100 -0.183 0.000 0.873 83 P CB -0.328 31.185 31.700 -0.312 0.000 1.828 84 L N 1.375 122.430 121.223 -0.279 0.000 2.485 84 L HA 0.069 4.409 4.340 -0.000 0.000 0.275 84 L C 1.052 177.754 176.870 -0.279 0.000 1.207 84 L CA 0.875 55.417 54.840 -0.497 0.000 0.855 84 L CB -0.465 41.299 42.059 -0.492 0.000 1.114 84 L HN 0.076 nan 8.230 nan 0.000 0.485 85 N N 4.483 123.018 118.700 -0.274 0.000 2.485 85 N HA 0.377 5.117 4.740 -0.000 0.000 0.243 85 N C -0.731 174.867 175.510 0.147 0.000 0.987 85 N CA -0.132 52.897 53.050 -0.035 0.000 0.940 85 N CB 1.179 39.644 38.487 -0.036 0.000 1.122 85 N HN 0.413 nan 8.380 nan 0.000 0.509 86 I N 3.316 123.957 120.570 0.118 0.000 2.382 86 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 86 I C 0.078 176.258 176.117 0.104 0.000 1.002 86 I CA -0.653 60.746 61.300 0.165 0.000 1.135 86 I CB 1.556 39.674 38.000 0.197 0.000 1.288 86 I HN 0.166 nan 8.210 nan 0.000 0.448 87 L N 6.103 127.379 121.223 0.088 0.000 2.349 87 L HA 0.196 4.536 4.340 -0.000 0.000 0.275 87 L C 1.231 178.150 176.870 0.082 0.000 1.115 87 L CA -0.313 54.565 54.840 0.063 0.000 0.820 87 L CB 0.859 42.941 42.059 0.038 0.000 1.135 87 L HN 0.599 nan 8.230 nan 0.000 0.445 88 Q N 1.619 121.459 119.800 0.066 0.000 2.424 88 Q HA 0.002 4.342 4.340 -0.000 0.000 0.204 88 Q C -0.260 175.782 176.000 0.070 0.000 0.933 88 Q CA 0.545 56.389 55.803 0.070 0.000 0.929 88 Q CB 0.232 29.000 28.738 0.050 0.000 1.037 88 Q HN 0.704 nan 8.270 nan 0.000 0.511 89 D N -0.839 119.596 120.400 0.059 0.000 2.879 89 D HA 0.125 4.765 4.640 -0.000 0.000 0.351 89 D C -0.294 176.032 176.300 0.043 0.000 1.239 89 D CA -0.402 53.630 54.000 0.052 0.000 0.771 89 D CB -0.080 40.742 40.800 0.036 0.000 1.176 89 D HN -0.282 nan 8.370 nan 0.000 0.496 90 V N 0.804 120.752 119.914 0.056 0.000 2.637 90 V HA 0.055 4.175 4.120 -0.000 0.000 0.296 90 V C 0.962 177.066 176.094 0.018 0.000 1.046 90 V CA -0.457 61.863 62.300 0.033 0.000 1.066 90 V CB 1.211 33.060 31.823 0.044 0.000 0.968 90 V HN 0.274 nan 8.190 nan 0.000 0.483 91 K N 4.380 124.773 120.400 -0.013 0.000 2.412 91 K HA 0.377 4.697 4.320 -0.000 0.000 0.284 91 K C -0.594 175.958 176.600 -0.080 0.000 1.046 91 K CA -0.176 56.090 56.287 -0.036 0.000 0.999 91 K CB 0.449 32.924 32.500 -0.042 0.000 0.941 91 K HN 0.649 nan 8.250 nan 0.000 0.474 92 V N 0.333 120.183 119.914 -0.106 0.000 3.078 92 V HA 0.583 4.703 4.120 -0.000 0.000 0.311 92 V C -0.805 175.151 176.094 -0.230 0.000 1.138 92 V CA -0.848 61.304 62.300 -0.247 0.000 1.007 92 V CB 2.097 33.708 31.823 -0.354 0.000 1.045 92 V HN 0.661 nan 8.190 nan 0.000 0.432 93 T N 3.695 118.053 114.554 -0.327 0.000 2.812 93 T HA 0.715 5.065 4.350 -0.000 0.000 0.282 93 T C -0.528 174.033 174.700 -0.232 0.000 0.990 93 T CA -0.039 61.931 62.100 -0.216 0.000 0.960 93 T CB 0.947 69.712 68.868 -0.173 0.000 0.948 93 T HN 0.661 nan 8.240 nan 0.000 0.438 94 I N 3.933 124.442 120.570 -0.103 0.000 2.382 94 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 94 I C -0.006 176.101 176.117 -0.016 0.000 1.002 94 I CA -0.707 60.579 61.300 -0.023 0.000 1.135 94 I CB 1.448 39.500 38.000 0.088 0.000 1.288 94 I HN 0.663 nan 8.210 nan 0.000 0.448 95 E N 4.829 125.014 120.200 -0.024 0.000 2.235 95 E HA 0.317 4.667 4.350 -0.000 0.000 0.252 95 E C -1.095 175.504 176.600 -0.001 0.000 0.886 95 E CA -0.856 55.534 56.400 -0.016 0.000 0.767 95 E CB 1.619 31.300 29.700 -0.031 0.000 1.205 95 E HN 0.410 nan 8.360 nan 0.000 0.421 96 N N 3.219 121.925 118.700 0.011 0.000 2.589 96 N HA 0.115 4.855 4.740 -0.000 0.000 0.232 96 N C -0.963 174.553 175.510 0.010 0.000 1.015 96 N CA -0.127 52.932 53.050 0.015 0.000 0.931 96 N CB 1.102 39.603 38.487 0.023 0.000 1.150 96 N HN 0.625 nan 8.380 nan 0.000 0.512 97 T N -0.217 114.346 114.554 0.014 0.000 2.922 97 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 97 T C 0.932 175.615 174.700 -0.029 0.000 1.005 97 T CA -0.579 61.522 62.100 0.001 0.000 0.982 97 T CB 1.170 70.050 68.868 0.020 0.000 1.158 97 T HN 0.287 nan 8.240 nan 0.000 0.566 98 E N -0.548 119.624 120.200 -0.045 0.000 2.463 98 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 98 E C 1.845 178.368 176.600 -0.127 0.000 1.045 98 E CA 1.012 57.371 56.400 -0.069 0.000 0.872 98 E CB -0.026 29.640 29.700 -0.057 0.000 0.797 98 E HN 0.649 nan 8.360 nan 0.000 0.538 99 R N -1.852 118.532 120.500 -0.192 0.000 2.412 99 R HA 0.178 4.518 4.340 -0.000 0.000 0.212 99 R C -0.460 175.465 176.300 -0.624 0.000 0.878 99 R CA 0.166 56.002 56.100 -0.439 0.000 1.022 99 R CB 0.561 30.509 30.300 -0.586 0.000 1.265 99 R HN 0.087 nan 8.270 nan 0.000 0.620 100 Y N -1.259 118.997 120.300 -0.074 0.000 2.677 100 Y HA 0.672 5.222 4.550 -0.000 0.000 0.334 100 Y C -0.931 174.902 175.900 -0.111 0.000 1.154 100 Y CA -1.320 56.711 58.100 -0.114 0.000 1.070 100 Y CB 2.054 40.435 38.460 -0.132 0.000 1.294 100 Y HN -0.078 nan 8.280 nan 0.000 0.475 101 A N 1.166 124.012 122.820 0.044 0.000 2.375 101 A HA 0.631 4.951 4.320 -0.000 0.000 0.291 101 A C -1.353 176.147 177.584 -0.141 0.000 1.160 101 A CA -0.493 51.517 52.037 -0.045 0.000 0.747 101 A CB 1.096 20.056 19.000 -0.066 0.000 1.170 101 A HN 0.709 nan 8.150 nan 0.000 0.458 102 E N 1.637 121.770 120.200 -0.112 0.000 2.222 102 E HA 0.591 4.941 4.350 -0.000 0.000 0.267 102 E C -1.945 174.604 176.600 -0.084 0.000 0.884 102 E CA -0.526 55.775 56.400 -0.165 0.000 0.764 102 E CB 1.726 31.326 29.700 -0.166 0.000 1.169 102 E HN 0.556 nan 8.360 nan 0.000 0.413 103 F N 3.807 123.598 119.950 -0.265 0.000 2.493 103 F HA 0.474 5.001 4.527 -0.000 0.000 0.329 103 F C -1.010 174.722 175.800 -0.113 0.000 1.126 103 F CA -0.588 57.318 58.000 -0.156 0.000 0.937 103 F CB 1.072 39.987 39.000 -0.142 0.000 1.146 103 F HN 0.229 nan 8.300 nan 0.000 0.442 104 K N 4.125 124.118 120.400 -0.679 0.000 2.427 104 K HA 0.599 4.919 4.320 -0.000 0.000 0.252 104 K C -1.635 174.660 176.600 -0.509 0.000 0.931 104 K CA -0.647 55.375 56.287 -0.440 0.000 0.793 104 K CB 1.894 34.238 32.500 -0.259 0.000 1.211 104 K HN 0.579 nan 8.250 nan 0.000 0.426 105 S N 2.778 118.313 115.700 -0.275 0.000 2.647 105 S HA 0.630 5.100 4.470 -0.000 0.000 0.300 105 S C 0.202 174.739 174.600 -0.105 0.000 1.129 105 S CA 0.498 58.590 58.200 -0.179 0.000 1.029 105 S CB 0.854 64.011 63.200 -0.073 0.000 1.007 105 S HN 1.061 nan 8.310 nan 0.000 0.484 106 G N 5.322 114.063 108.800 -0.098 0.000 2.591 106 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.298 106 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.298 106 G C 0.477 175.335 174.900 -0.071 0.000 1.195 106 G CA 0.777 45.833 45.100 -0.072 0.000 0.989 106 G HN 0.769 nan 8.290 nan 0.000 0.551 107 N N -0.159 118.509 118.700 -0.053 0.000 2.280 107 N HA 0.345 5.085 4.740 -0.000 0.000 0.192 107 N C 0.258 175.742 175.510 -0.043 0.000 1.109 107 N CA -0.262 52.759 53.050 -0.048 0.000 0.855 107 N CB 0.527 38.993 38.487 -0.035 0.000 0.974 107 N HN 0.354 nan 8.380 nan 0.000 0.482 108 L N 1.385 122.588 121.223 -0.035 0.000 2.295 108 L HA 0.410 4.750 4.340 -0.000 0.000 0.285 108 L C -0.222 176.645 176.870 -0.005 0.000 1.035 108 L CA -0.399 54.438 54.840 -0.005 0.000 0.806 108 L CB 1.154 43.226 42.059 0.021 0.000 1.214 108 L HN -0.055 nan 8.230 nan 0.000 0.426 109 S N 3.599 119.302 115.700 0.005 0.000 2.570 109 S HA 0.963 5.433 4.470 -0.000 0.000 0.286 109 S C -0.791 173.810 174.600 0.002 0.000 1.099 109 S CA -0.470 57.717 58.200 -0.021 0.000 0.913 109 S CB 1.705 64.838 63.200 -0.113 0.000 1.085 109 S HN 0.979 nan 8.310 nan 0.000 0.480 110 A N 1.650 124.436 122.820 -0.055 0.000 2.318 110 A HA 0.833 5.153 4.320 -0.000 0.000 0.324 110 A C -0.210 177.086 177.584 -0.481 0.000 1.170 110 A CA -0.822 51.027 52.037 -0.313 0.000 0.810 110 A CB 0.952 19.804 19.000 -0.246 0.000 1.198 110 A HN 0.864 nan 8.150 nan 0.000 0.484 111 R N 2.361 122.536 120.500 -0.542 0.000 2.532 111 R HA 0.596 4.936 4.340 -0.000 0.000 0.297 111 R C -1.963 174.055 176.300 -0.469 0.000 0.984 111 R CA -0.353 55.465 56.100 -0.469 0.000 0.884 111 R CB 1.862 31.896 30.300 -0.443 0.000 1.182 111 R HN 0.495 nan 8.270 nan 0.000 0.442 112 V N 3.247 122.915 119.914 -0.411 0.000 2.384 112 V HA 0.285 4.405 4.120 -0.000 0.000 0.287 112 V C -0.180 175.761 176.094 -0.255 0.000 1.020 112 V CA -0.632 61.389 62.300 -0.466 0.000 0.850 112 V CB 1.833 33.366 31.823 -0.484 0.000 0.987 112 V HN 0.794 nan 8.190 nan 0.000 0.436 113 S N 5.343 120.875 115.700 -0.279 0.000 2.505 113 S HA 0.341 4.811 4.470 -0.000 0.000 0.276 113 S C 0.175 174.698 174.600 -0.128 0.000 1.274 113 S CA -0.557 57.593 58.200 -0.084 0.000 1.053 113 S CB 0.478 63.662 63.200 -0.028 0.000 0.919 113 S HN 0.627 nan 8.310 nan 0.000 0.490 114 K N 1.534 121.869 120.400 -0.108 0.000 2.155 114 K HA 0.621 4.941 4.320 -0.000 0.000 0.237 114 K C 1.016 177.603 176.600 -0.021 0.000 1.040 114 K CA -0.048 56.215 56.287 -0.040 0.000 0.912 114 K CB 0.227 32.690 32.500 -0.063 0.000 1.137 114 K HN 0.842 nan 8.250 nan 0.000 0.498 115 G N 0.627 109.430 108.800 0.005 0.000 2.681 115 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 115 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 115 G C 0.638 175.514 174.900 -0.039 0.000 1.353 115 G CA 0.390 45.480 45.100 -0.016 0.000 0.872 115 G HN 0.790 nan 8.290 nan 0.000 0.557 116 E N -0.796 119.302 120.200 -0.171 0.000 2.118 116 E HA -0.080 4.269 4.350 -0.000 0.000 0.195 116 E C 0.505 176.794 176.600 -0.517 0.000 0.992 116 E CA 1.175 57.318 56.400 -0.429 0.000 0.804 116 E CB -0.103 29.142 29.700 -0.758 0.000 0.741 116 E HN 0.355 nan 8.360 nan 0.000 0.458 117 F N 1.297 121.286 119.950 0.065 0.000 2.303 117 F HA 0.204 4.731 4.527 -0.000 0.000 0.368 117 F C 0.142 176.013 175.800 0.119 0.000 1.105 117 F CA -1.013 57.038 58.000 0.085 0.000 1.153 117 F CB 0.296 39.321 39.000 0.042 0.000 1.362 117 F HN 0.087 nan 8.300 nan 0.000 0.511 118 W N 3.706 125.066 121.300 0.100 0.000 2.158 118 W HA 0.461 5.121 4.660 -0.000 0.000 0.339 118 W C -0.700 175.860 176.519 0.069 0.000 1.294 118 W CA -0.024 57.361 57.345 0.065 0.000 1.231 118 W CB 1.457 30.935 29.460 0.029 0.000 1.143 118 W HN 0.458 nan 8.180 nan 0.000 0.571 119 S N 6.240 121.509 115.700 -0.718 0.000 2.560 119 S HA 0.444 4.914 4.470 -0.000 0.000 0.283 119 S C -1.960 172.233 174.600 -0.677 0.000 1.141 119 S CA -0.831 57.096 58.200 -0.454 0.000 0.902 119 S CB 0.795 63.899 63.200 -0.159 0.000 1.104 119 S HN 0.567 nan 8.310 nan 0.000 0.454 120 L N 4.056 125.041 121.223 -0.397 0.000 2.325 120 L HA 0.676 5.016 4.340 -0.000 0.000 0.281 120 L C -1.475 175.176 176.870 -0.366 0.000 1.004 120 L CA -0.369 54.238 54.840 -0.388 0.000 0.823 120 L CB 1.125 43.103 42.059 -0.135 0.000 1.236 120 L HN 0.682 nan 8.230 nan 0.000 0.415 121 D N 4.394 124.494 120.400 -0.499 0.000 2.619 121 D HA 0.387 5.027 4.640 -0.000 0.000 0.241 121 D C -1.253 174.683 176.300 -0.607 0.000 1.087 121 D CA -0.056 53.694 54.000 -0.417 0.000 0.851 121 D CB 2.376 43.008 40.800 -0.279 0.000 1.474 121 D HN 0.180 nan 8.370 nan 0.000 0.478 122 F N 1.676 121.567 119.950 -0.099 0.000 2.402 122 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 122 F C -0.105 175.613 175.800 -0.135 0.000 1.123 122 F CA -0.759 57.176 58.000 -0.107 0.000 1.021 122 F CB 1.043 39.980 39.000 -0.106 0.000 1.160 122 F HN -0.047 nan 8.300 nan 0.000 0.451 123 L N 3.516 124.737 121.223 -0.002 0.000 2.334 123 L HA 0.560 4.900 4.340 -0.000 0.000 0.273 123 L C -0.065 176.788 176.870 -0.029 0.000 1.013 123 L CA -0.814 53.998 54.840 -0.047 0.000 0.816 123 L CB 1.820 43.815 42.059 -0.108 0.000 1.278 123 L HN 0.565 nan 8.230 nan 0.000 0.431 124 R N 3.138 123.619 120.500 -0.032 0.000 2.272 124 R HA 0.246 4.586 4.340 -0.000 0.000 0.323 124 R C -0.512 175.767 176.300 -0.035 0.000 1.002 124 R CA -0.329 55.757 56.100 -0.023 0.000 0.900 124 R CB 0.380 30.677 30.300 -0.005 0.000 1.151 124 R HN 0.672 nan 8.270 nan 0.000 0.507 125 N N 2.657 121.330 118.700 -0.045 0.000 2.714 125 N HA -0.210 4.530 4.740 -0.000 0.000 0.253 125 N C 0.657 176.132 175.510 -0.058 0.000 1.024 125 N CA 1.291 54.310 53.050 -0.050 0.000 0.726 125 N CB -1.027 37.438 38.487 -0.037 0.000 0.908 125 N HN 1.087 nan 8.380 nan 0.000 0.542 126 G N -0.877 107.876 108.800 -0.078 0.000 2.212 126 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.266 126 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.266 126 G C -0.129 174.720 174.900 -0.084 0.000 0.978 126 G CA 0.933 45.977 45.100 -0.093 0.000 0.632 126 G HN 0.605 nan 8.290 nan 0.000 0.537 127 E N 0.007 120.171 120.200 -0.061 0.000 2.179 127 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 127 E C 0.232 176.804 176.600 -0.046 0.000 0.945 127 E CA -0.924 55.447 56.400 -0.048 0.000 0.792 127 E CB 1.378 31.062 29.700 -0.028 0.000 1.125 127 E HN 0.262 nan 8.360 nan 0.000 0.397 128 R N 3.962 124.434 120.500 -0.046 0.000 2.288 128 R HA 0.087 4.427 4.340 -0.000 0.000 0.330 128 R C 1.141 177.430 176.300 -0.019 0.000 1.069 128 R CA 0.044 56.120 56.100 -0.041 0.000 0.941 128 R CB 0.051 30.323 30.300 -0.047 0.000 0.998 128 R HN 0.671 nan 8.270 nan 0.000 0.452 129 I N -0.155 120.393 120.570 -0.038 0.000 2.852 129 I HA 0.191 4.361 4.170 -0.000 0.000 0.264 129 I C 0.596 176.651 176.117 -0.104 0.000 1.179 129 I CA 0.130 61.396 61.300 -0.056 0.000 1.480 129 I CB 0.384 38.301 38.000 -0.139 0.000 1.111 129 I HN 0.483 nan 8.210 nan 0.000 0.441 130 T N -1.072 113.427 114.554 -0.092 0.000 2.648 130 T HA 0.626 4.976 4.350 -0.000 0.000 0.300 130 T C -0.995 173.793 174.700 0.147 0.000 1.751 130 T CA 0.036 62.134 62.100 -0.003 0.000 0.959 130 T CB 1.155 69.946 68.868 -0.129 0.000 1.888 130 T HN 0.639 nan 8.240 nan 0.000 0.480 131 G N 0.484 109.412 108.800 0.213 0.000 2.320 131 G HA2 0.494 4.454 3.960 -0.000 0.000 0.296 131 G HA3 0.494 4.454 3.960 -0.000 0.000 0.296 131 G C -1.448 173.565 174.900 0.188 0.000 1.306 131 G CA 0.376 45.623 45.100 0.246 0.000 0.836 131 G HN 1.103 nan 8.290 nan 0.000 0.517 132 S N -0.454 115.328 115.700 0.138 0.000 2.596 132 S HA 0.563 5.033 4.470 -0.000 0.000 0.318 132 S C -0.046 174.608 174.600 0.089 0.000 1.097 132 S CA -0.336 57.929 58.200 0.107 0.000 1.080 132 S CB 1.001 64.290 63.200 0.149 0.000 0.991 132 S HN 0.579 nan 8.310 nan 0.000 0.471 133 Q N 1.854 121.691 119.800 0.061 0.000 2.382 133 Q HA 0.314 4.654 4.340 -0.000 0.000 0.229 133 Q C 0.055 176.128 176.000 0.122 0.000 1.006 133 Q CA -0.476 55.374 55.803 0.079 0.000 0.916 133 Q CB 1.008 29.767 28.738 0.036 0.000 1.235 133 Q HN 0.638 nan 8.270 nan 0.000 0.512 134 V N 2.370 122.399 119.914 0.193 0.000 2.617 134 V HA -0.111 4.009 4.120 -0.000 0.000 0.304 134 V C 0.021 176.059 176.094 -0.094 0.000 1.040 134 V CA 1.054 63.449 62.300 0.158 0.000 1.149 134 V CB -0.461 31.485 31.823 0.206 0.000 0.914 134 V HN 0.842 nan 8.190 nan 0.000 0.487 135 K N 3.488 123.712 120.400 -0.294 0.000 3.423 135 K HA -0.150 4.170 4.320 -0.000 0.000 0.306 135 K C 0.565 176.806 176.600 -0.598 0.000 1.331 135 K CA 1.082 56.929 56.287 -0.733 0.000 0.905 135 K CB -1.427 30.720 32.500 -0.589 0.000 1.332 135 K HN 0.837 nan 8.250 nan 0.000 0.473 136 N N 1.124 119.635 118.700 -0.315 0.000 2.203 136 N HA 0.015 4.755 4.740 -0.000 0.000 0.207 136 N C -0.407 174.810 175.510 -0.488 0.000 1.130 136 N CA 0.269 53.197 53.050 -0.204 0.000 0.861 136 N CB 0.329 38.755 38.487 -0.102 0.000 1.005 136 N HN 0.449 nan 8.380 nan 0.000 0.507 137 N N -0.651 117.633 118.700 -0.693 0.000 2.647 137 N HA 0.665 5.405 4.740 -0.000 0.000 0.266 137 N C 0.091 175.097 175.510 -0.841 0.000 1.373 137 N CA -0.479 51.925 53.050 -1.077 0.000 0.807 137 N CB 1.707 39.880 38.487 -0.524 0.000 1.513 137 N HN -0.006 nan 8.380 nan 0.000 0.505 138 G N -1.374 106.983 108.800 -0.737 0.000 2.332 138 G HA2 0.165 4.125 3.960 -0.000 0.000 0.265 138 G HA3 0.165 4.125 3.960 -0.000 0.000 0.265 138 G C -2.419 172.649 174.900 0.280 0.000 1.329 138 G CA -0.833 44.137 45.100 -0.217 0.000 0.949 138 G HN 0.666 nan 8.290 nan 0.000 0.476 139 Y N 0.375 120.839 120.300 0.274 0.000 2.352 139 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 139 Y C -0.087 175.877 175.900 0.108 0.000 0.992 139 Y CA -0.997 57.200 58.100 0.161 0.000 1.100 139 Y CB 1.959 40.355 38.460 -0.106 0.000 1.192 139 Y HN 0.482 nan 8.280 nan 0.000 0.458 140 V N 6.333 126.092 119.914 -0.257 0.000 2.495 140 V HA 0.388 4.508 4.120 -0.000 0.000 0.298 140 V C -0.841 174.951 176.094 -0.504 0.000 1.031 140 V CA -0.863 61.273 62.300 -0.272 0.000 0.871 140 V CB 1.615 33.377 31.823 -0.102 0.000 0.988 140 V HN 0.681 nan 8.190 nan 0.000 0.432 141 Q N 2.592 122.176 119.800 -0.360 0.000 2.394 141 Q HA 0.289 4.629 4.340 -0.000 0.000 0.259 141 Q C -0.948 174.976 176.000 -0.126 0.000 1.021 141 Q CA -0.506 55.124 55.803 -0.288 0.000 0.805 141 Q CB 1.677 30.300 28.738 -0.190 0.000 1.226 141 Q HN 0.669 nan 8.270 nan 0.000 0.476 142 D N 1.694 122.050 120.400 -0.073 0.000 2.352 142 D HA 0.043 4.683 4.640 -0.000 0.000 0.245 142 D C 0.471 176.756 176.300 -0.025 0.000 1.224 142 D CA 0.255 54.252 54.000 -0.005 0.000 0.879 142 D CB 1.354 42.218 40.800 0.107 0.000 1.057 142 D HN 0.393 nan 8.370 nan 0.000 0.491 143 T N 3.105 117.644 114.554 -0.025 0.000 2.995 143 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 143 T C 1.540 176.234 174.700 -0.011 0.000 1.091 143 T CA 0.563 62.652 62.100 -0.018 0.000 1.128 143 T CB 0.125 68.983 68.868 -0.017 0.000 0.891 143 T HN 0.437 nan 8.240 nan 0.000 0.492 144 N N 2.454 121.148 118.700 -0.009 0.000 2.270 144 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 144 N C 1.165 176.673 175.510 -0.002 0.000 1.016 144 N CA 1.157 54.204 53.050 -0.006 0.000 0.870 144 N CB -0.142 38.340 38.487 -0.007 0.000 0.979 144 N HN 0.627 nan 8.380 nan 0.000 0.431 145 N N -0.754 117.946 118.700 -0.000 0.000 2.184 145 N HA 0.082 4.821 4.740 -0.000 0.000 0.234 145 N C -0.442 175.058 175.510 -0.016 0.000 1.282 145 N CA -0.075 52.973 53.050 -0.002 0.000 0.877 145 N CB 0.505 38.998 38.487 0.009 0.000 1.184 145 N HN -0.287 nan 8.380 nan 0.000 0.510 146 Q N -0.802 118.984 119.800 -0.022 0.000 2.452 146 Q HA -0.225 4.115 4.340 -0.000 0.000 0.248 146 Q C -0.851 175.106 176.000 -0.071 0.000 0.874 146 Q CA 1.048 56.831 55.803 -0.032 0.000 1.208 146 Q CB -1.848 26.881 28.738 -0.017 0.000 1.569 146 Q HN 0.590 nan 8.270 nan 0.000 0.579 147 R N 0.653 121.084 120.500 -0.116 0.000 2.486 147 R HA 0.568 4.908 4.340 -0.000 0.000 0.286 147 R C -0.202 175.838 176.300 -0.432 0.000 0.999 147 R CA -0.752 55.184 56.100 -0.274 0.000 0.993 147 R CB 0.888 30.996 30.300 -0.321 0.000 1.084 147 R HN 0.058 nan 8.270 nan 0.000 0.487 148 N N 1.662 120.028 118.700 -0.557 0.000 2.269 148 N HA 0.350 5.090 4.740 -0.000 0.000 0.304 148 N C -1.348 173.742 175.510 -0.700 0.000 1.072 148 N CA -0.433 52.283 53.050 -0.556 0.000 0.802 148 N CB 1.814 40.144 38.487 -0.261 0.000 1.348 148 N HN 0.392 nan 8.380 nan 0.000 0.484 149 Y N 0.119 120.278 120.300 -0.235 0.000 2.576 149 Y HA 0.542 5.092 4.550 -0.000 0.000 0.346 149 Y C 0.141 176.053 175.900 0.021 0.000 1.018 149 Y CA -1.024 57.019 58.100 -0.095 0.000 1.050 149 Y CB 1.625 40.019 38.460 -0.109 0.000 1.280 149 Y HN 0.146 nan 8.280 nan 0.000 0.474 150 M N 2.892 122.659 119.600 0.279 0.000 2.528 150 M HA 0.503 4.983 4.480 -0.000 0.000 0.321 150 M C -1.141 175.336 176.300 0.295 0.000 1.153 150 M CA -0.797 54.685 55.300 0.303 0.000 0.951 150 M CB 1.637 34.371 32.600 0.223 0.000 1.705 150 M HN 0.736 nan 8.290 nan 0.000 0.451 151 F N 0.165 120.115 119.950 0.000 0.000 2.685 151 F HA 0.877 5.404 4.527 -0.000 0.000 0.315 151 F C -1.383 174.268 175.800 -0.248 0.000 1.126 151 F CA -1.030 56.885 58.000 -0.142 0.000 0.950 151 F CB 1.569 40.475 39.000 -0.156 0.000 1.360 151 F HN 0.548 nan 8.300 nan 0.000 0.469 152 E N 0.760 120.537 120.200 -0.705 0.000 2.372 152 E HA 0.555 4.905 4.350 -0.000 0.000 0.279 152 E C -1.911 174.215 176.600 -0.790 0.000 0.946 152 E CA -0.665 55.202 56.400 -0.888 0.000 0.769 152 E CB 2.031 31.126 29.700 -1.008 0.000 1.230 152 E HN 0.743 nan 8.360 nan 0.000 0.442 153 R N 3.402 123.636 120.500 -0.443 0.000 2.422 153 R HA 0.456 4.796 4.340 -0.000 0.000 0.307 153 R C -0.725 175.522 176.300 -0.090 0.000 1.004 153 R CA -0.528 55.443 56.100 -0.214 0.000 0.882 153 R CB 0.938 31.194 30.300 -0.073 0.000 1.164 153 R HN 0.408 nan 8.270 nan 0.000 0.489 154 L N 3.352 124.581 121.223 0.010 0.000 2.265 154 L HA 0.267 4.607 4.340 -0.000 0.000 0.288 154 L C 0.152 177.112 176.870 0.150 0.000 1.058 154 L CA -0.750 54.179 54.840 0.149 0.000 0.809 154 L CB 0.826 43.057 42.059 0.287 0.000 1.179 154 L HN 0.419 nan 8.230 nan 0.000 0.429 155 D N 3.804 124.280 120.400 0.127 0.000 2.390 155 D HA 0.240 4.880 4.640 -0.000 0.000 0.236 155 D C -0.170 176.215 176.300 0.142 0.000 1.189 155 D CA 0.445 54.507 54.000 0.102 0.000 0.887 155 D CB 1.251 42.097 40.800 0.077 0.000 1.198 155 D HN 0.271 nan 8.370 nan 0.000 0.444 156 L N 0.779 122.060 121.223 0.097 0.000 2.385 156 L HA 0.449 4.789 4.340 -0.000 0.000 0.273 156 L C 0.898 177.808 176.870 0.068 0.000 0.990 156 L CA -0.806 54.093 54.840 0.098 0.000 0.821 156 L CB 2.116 44.203 42.059 0.046 0.000 1.279 156 L HN 0.341 nan 8.230 nan 0.000 0.412 157 G N 1.732 110.579 108.800 0.079 0.000 2.588 157 G HA2 0.441 4.401 3.960 -0.000 0.000 0.281 157 G HA3 0.441 4.401 3.960 -0.000 0.000 0.281 157 G C -0.147 174.774 174.900 0.035 0.000 1.236 157 G CA -0.550 44.583 45.100 0.054 0.000 0.969 157 G HN 0.286 nan 8.290 nan 0.000 0.504 158 V N 0.749 120.678 119.914 0.026 0.000 2.694 158 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 158 V C 1.777 177.885 176.094 0.022 0.000 1.054 158 V CA 1.669 63.981 62.300 0.020 0.000 1.161 158 V CB 0.438 32.270 31.823 0.016 0.000 0.916 158 V HN 1.789 nan 8.190 nan 0.000 0.490 159 G N 3.317 112.130 108.800 0.022 0.000 2.186 159 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.266 159 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.266 159 G C 0.236 175.139 174.900 0.005 0.000 0.982 159 G CA 0.613 45.727 45.100 0.024 0.000 0.670 159 G HN 0.863 nan 8.290 nan 0.000 0.533 160 E N 1.336 121.539 120.200 0.005 0.000 2.290 160 E HA 0.481 4.831 4.350 -0.000 0.000 0.277 160 E C 0.722 177.285 176.600 -0.062 0.000 1.035 160 E CA 0.285 56.681 56.400 -0.007 0.000 0.873 160 E CB 0.381 30.099 29.700 0.031 0.000 1.029 160 E HN 0.388 nan 8.360 nan 0.000 0.419 161 T N 0.343 114.834 114.554 -0.104 0.000 2.885 161 T HA 0.547 4.896 4.350 -0.000 0.000 0.285 161 T C -0.325 174.183 174.700 -0.319 0.000 1.019 161 T CA -0.927 61.011 62.100 -0.270 0.000 1.010 161 T CB 1.530 70.130 68.868 -0.446 0.000 1.022 161 T HN 0.140 nan 8.240 nan 0.000 0.466 162 V N 2.891 122.511 119.914 -0.490 0.000 2.483 162 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 162 V C -1.125 174.598 176.094 -0.619 0.000 1.035 162 V CA -0.786 61.279 62.300 -0.391 0.000 0.896 162 V CB 0.750 32.367 31.823 -0.344 0.000 0.986 162 V HN 0.956 nan 8.190 nan 0.000 0.447 163 Y N 1.340 121.523 120.300 -0.195 0.000 2.638 163 Y HA 0.859 5.409 4.550 -0.000 0.000 0.339 163 Y C 0.787 176.557 175.900 -0.217 0.000 1.084 163 Y CA 0.142 58.123 58.100 -0.197 0.000 1.068 163 Y CB 2.221 40.571 38.460 -0.184 0.000 1.294 163 Y HN 0.985 nan 8.280 nan 0.000 0.480 164 G N -0.003 108.777 108.800 -0.034 0.000 2.464 164 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 164 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 164 G C -0.458 174.345 174.900 -0.161 0.000 1.186 164 G CA -0.394 44.647 45.100 -0.098 0.000 1.010 164 G HN 1.228 nan 8.290 nan 0.000 0.585 165 L N -0.229 120.894 121.223 -0.167 0.000 3.754 165 L HA 0.049 4.389 4.340 -0.000 0.000 0.410 165 L C 1.468 178.261 176.870 -0.128 0.000 1.230 165 L CA 1.189 55.903 54.840 -0.211 0.000 0.901 165 L CB -1.836 40.010 42.059 -0.355 0.000 1.982 165 L HN 2.968 nan 8.230 nan 0.000 0.822 166 G N 0.260 109.014 108.800 -0.077 0.000 2.725 166 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 166 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 166 G C -0.211 174.550 174.900 -0.232 0.000 1.357 166 G CA 0.237 45.268 45.100 -0.114 0.000 0.866 166 G HN 0.565 nan 8.290 nan 0.000 0.548 167 E N 0.895 120.910 120.200 -0.309 0.000 1.944 167 E HA 0.348 4.698 4.350 -0.000 0.000 0.272 167 E C 0.679 176.896 176.600 -0.638 0.000 1.195 167 E CA -0.171 55.958 56.400 -0.452 0.000 0.926 167 E CB -0.024 29.453 29.700 -0.371 0.000 1.051 167 E HN 0.489 nan 8.360 nan 0.000 0.404 168 R N 3.363 123.468 120.500 -0.658 0.000 2.732 168 R HA 0.332 4.672 4.340 -0.000 0.000 0.278 168 R C -0.206 175.603 176.300 -0.819 0.000 0.976 168 R CA -0.702 55.003 56.100 -0.658 0.000 0.963 168 R CB 0.802 30.920 30.300 -0.302 0.000 1.150 168 R HN 0.480 nan 8.270 nan 0.000 0.478 169 F N -0.392 119.531 119.950 -0.045 0.000 2.661 169 F HA 0.081 4.608 4.527 -0.000 0.000 0.306 169 F C 1.271 177.055 175.800 -0.027 0.000 1.094 169 F CA -0.466 57.518 58.000 -0.027 0.000 1.254 169 F CB 0.295 39.300 39.000 0.008 0.000 1.040 169 F HN 0.468 nan 8.300 nan 0.000 0.562 170 T N -1.050 113.531 114.554 0.044 0.000 2.771 170 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 170 T C 0.705 175.393 174.700 -0.020 0.000 1.005 170 T CA -0.630 61.482 62.100 0.021 0.000 0.944 170 T CB 0.802 69.665 68.868 -0.008 0.000 1.147 170 T HN 0.173 nan 8.240 nan 0.000 0.534 171 A N 0.566 123.371 122.820 -0.025 0.000 2.587 171 A HA 0.185 4.505 4.320 -0.000 0.000 0.235 171 A C 1.425 178.976 177.584 -0.056 0.000 1.044 171 A CA -0.374 51.643 52.037 -0.032 0.000 0.754 171 A CB -0.659 18.323 19.000 -0.029 0.000 0.968 171 A HN 0.987 nan 8.150 nan 0.000 0.509 172 L N 4.017 125.217 121.223 -0.039 0.000 2.013 172 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 172 L C 1.049 177.844 176.870 -0.126 0.000 1.073 172 L CA 1.897 56.709 54.840 -0.047 0.000 0.753 172 L CB -0.337 41.734 42.059 0.022 0.000 0.890 172 L HN 0.476 nan 8.230 nan 0.000 0.432 173 V N 0.918 120.734 119.914 -0.162 0.000 2.427 173 V HA 0.074 4.194 4.120 -0.000 0.000 0.268 173 V C 1.467 177.406 176.094 -0.259 0.000 1.046 173 V CA -0.165 61.901 62.300 -0.390 0.000 0.970 173 V CB 0.889 32.524 31.823 -0.314 0.000 1.001 173 V HN 0.311 nan 8.190 nan 0.000 0.476 174 R N 3.152 123.459 120.500 -0.322 0.000 2.241 174 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 174 R C 0.573 176.759 176.300 -0.189 0.000 1.101 174 R CA 0.391 56.348 56.100 -0.238 0.000 0.995 174 R CB -0.494 29.638 30.300 -0.279 0.000 0.870 174 R HN 0.735 nan 8.270 nan 0.000 0.463 175 N N 0.093 118.678 118.700 -0.191 0.000 2.365 175 N HA 0.113 4.853 4.740 -0.000 0.000 0.265 175 N C 0.797 176.256 175.510 -0.085 0.000 1.288 175 N CA 1.461 54.434 53.050 -0.129 0.000 0.869 175 N CB 0.627 39.054 38.487 -0.100 0.000 1.071 175 N HN 0.324 nan 8.380 nan 0.000 0.480 176 G N 0.828 109.583 108.800 -0.076 0.000 2.176 176 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 176 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 176 G C -0.261 174.607 174.900 -0.053 0.000 0.986 176 G CA 0.219 45.284 45.100 -0.058 0.000 0.643 176 G HN 0.761 nan 8.290 nan 0.000 0.522 177 Q N -0.158 119.605 119.800 -0.061 0.000 2.413 177 Q HA 0.712 5.052 4.340 -0.000 0.000 0.276 177 Q C -0.458 175.523 176.000 -0.032 0.000 1.099 177 Q CA -0.320 55.455 55.803 -0.046 0.000 0.814 177 Q CB 2.025 30.733 28.738 -0.051 0.000 1.379 177 Q HN 0.556 nan 8.270 nan 0.000 0.436 178 T N -0.359 114.189 114.554 -0.011 0.000 2.829 178 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 178 T C -0.502 174.220 174.700 0.037 0.000 0.990 178 T CA -0.396 61.716 62.100 0.019 0.000 1.028 178 T CB 1.267 70.140 68.868 0.009 0.000 0.951 178 T HN 0.782 nan 8.240 nan 0.000 0.460 179 V N 2.470 122.438 119.914 0.090 0.000 2.760 179 V HA 0.734 4.854 4.120 -0.000 0.000 0.309 179 V C -1.287 174.929 176.094 0.203 0.000 1.077 179 V CA -0.786 61.571 62.300 0.094 0.000 0.910 179 V CB 2.226 34.051 31.823 0.003 0.000 1.008 179 V HN 0.949 nan 8.190 nan 0.000 0.424 180 E N 3.425 123.735 120.200 0.183 0.000 2.133 180 E HA 0.323 4.673 4.350 -0.000 0.000 0.274 180 E C -0.060 176.723 176.600 0.304 0.000 0.930 180 E CA -0.294 56.245 56.400 0.233 0.000 0.770 180 E CB 1.759 31.551 29.700 0.153 0.000 1.104 180 E HN 0.960 nan 8.360 nan 0.000 0.403 181 T N 0.941 115.728 114.554 0.388 0.000 3.455 181 T HA 0.227 4.577 4.350 -0.000 0.000 0.286 181 T C -0.256 174.754 174.700 0.516 0.000 1.157 181 T CA -0.705 61.633 62.100 0.397 0.000 1.090 181 T CB -0.280 68.849 68.868 0.434 0.000 1.112 181 T HN 0.423 nan 8.240 nan 0.000 0.779 182 W N 4.042 125.475 121.300 0.222 0.000 2.802 182 W HA 0.310 4.970 4.660 -0.000 0.000 0.331 182 W C -1.392 175.315 176.519 0.313 0.000 1.021 182 W CA -0.997 56.512 57.345 0.273 0.000 1.259 182 W CB 1.369 30.925 29.460 0.160 0.000 1.323 182 W HN 0.338 nan 8.180 nan 0.000 0.432 183 N N 5.384 124.164 118.700 0.133 0.000 2.454 183 N HA 0.169 4.909 4.740 -0.000 0.000 0.260 183 N C -0.159 175.446 175.510 0.160 0.000 1.218 183 N CA 0.604 53.709 53.050 0.092 0.000 0.904 183 N CB 0.714 39.170 38.487 -0.052 0.000 1.065 183 N HN 0.377 nan 8.380 nan 0.000 0.462 184 R N 0.292 120.897 120.500 0.176 0.000 2.817 184 R HA 0.294 4.633 4.340 -0.000 0.000 0.268 184 R C -1.150 175.223 176.300 0.122 0.000 1.027 184 R CA -0.809 55.413 56.100 0.204 0.000 0.928 184 R CB 1.390 31.820 30.300 0.216 0.000 1.228 184 R HN 0.369 nan 8.270 nan 0.000 0.469 185 D N 0.537 121.038 120.400 0.169 0.000 2.485 185 D HA 0.234 4.874 4.640 -0.000 0.000 0.256 185 D C -0.078 176.246 176.300 0.039 0.000 1.141 185 D CA -0.131 53.959 54.000 0.151 0.000 0.942 185 D CB 0.798 41.791 40.800 0.322 0.000 1.003 185 D HN 0.764 nan 8.370 nan 0.000 0.507 186 G N 1.241 109.933 108.800 -0.181 0.000 3.651 186 G HA2 0.502 4.462 3.960 -0.000 0.000 0.279 186 G HA3 0.502 4.462 3.960 -0.000 0.000 0.279 186 G C 0.835 175.657 174.900 -0.130 0.000 1.024 186 G CA 0.154 45.203 45.100 -0.085 0.000 0.813 186 G HN 0.794 nan 8.290 nan 0.000 0.518 187 G N 0.223 108.898 108.800 -0.208 0.000 2.542 187 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.235 187 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.235 187 G C 0.762 175.451 174.900 -0.350 0.000 1.286 187 G CA 0.770 45.791 45.100 -0.131 0.000 0.904 187 G HN 1.261 nan 8.290 nan 0.000 0.577 188 T N -4.108 110.204 114.554 -0.404 0.000 3.111 188 T HA 0.521 4.871 4.350 -0.000 0.000 0.284 188 T C 1.285 175.665 174.700 -0.533 0.000 0.983 188 T CA 1.158 62.628 62.100 -1.050 0.000 0.900 188 T CB 0.327 68.508 68.868 -1.145 0.000 1.132 188 T HN 1.153 nan 8.240 nan 0.000 0.531 189 S N 1.969 117.586 115.700 -0.138 0.000 2.582 189 S HA 0.322 4.792 4.470 -0.000 0.000 0.234 189 S C 0.769 175.402 174.600 0.055 0.000 0.961 189 S CA -0.126 58.086 58.200 0.019 0.000 0.953 189 S CB 0.179 63.441 63.200 0.102 0.000 0.800 189 S HN 0.890 nan 8.310 nan 0.000 0.471 190 T N -0.963 113.630 114.554 0.064 0.000 2.716 190 T HA 0.356 4.706 4.350 -0.000 0.000 0.286 190 T C 0.672 175.446 174.700 0.124 0.000 1.052 190 T CA -0.649 61.501 62.100 0.084 0.000 1.024 190 T CB 1.235 70.140 68.868 0.062 0.000 1.349 190 T HN -0.024 nan 8.240 nan 0.000 0.525 191 E N 0.178 120.431 120.200 0.089 0.000 2.409 191 E HA -0.065 4.285 4.350 -0.000 0.000 0.198 191 E C 0.208 176.860 176.600 0.088 0.000 1.024 191 E CA 0.540 56.987 56.400 0.079 0.000 0.861 191 E CB -0.123 29.610 29.700 0.054 0.000 0.788 191 E HN 0.718 nan 8.360 nan 0.000 0.521 192 Q N 0.285 120.141 119.800 0.093 0.000 2.306 192 Q HA 0.568 4.908 4.340 -0.000 0.000 0.241 192 Q C -0.678 175.366 176.000 0.072 0.000 0.948 192 Q CA -0.167 55.684 55.803 0.079 0.000 0.886 192 Q CB 1.648 30.419 28.738 0.056 0.000 1.227 192 Q HN 0.273 nan 8.270 nan 0.000 0.457 193 A N 1.007 123.848 122.820 0.035 0.000 2.515 193 A HA 0.441 4.761 4.320 -0.000 0.000 0.298 193 A C -1.107 176.475 177.584 -0.004 0.000 1.059 193 A CA -0.672 51.376 52.037 0.018 0.000 0.698 193 A CB 0.516 19.514 19.000 -0.004 0.000 1.289 193 A HN 0.815 nan 8.150 nan 0.000 0.404 194 Y N 0.664 121.042 120.300 0.130 0.000 2.457 194 Y HA 0.103 4.653 4.550 -0.000 0.000 0.292 194 Y C 0.669 176.594 175.900 0.042 0.000 1.125 194 Y CA 1.047 59.192 58.100 0.075 0.000 1.254 194 Y CB 0.158 38.638 38.460 0.033 0.000 1.012 194 Y HN 0.484 nan 8.280 nan 0.000 0.555 195 K N 1.647 122.148 120.400 0.167 0.000 2.527 195 K HA 0.249 4.569 4.320 -0.000 0.000 0.240 195 K C -1.036 175.562 176.600 -0.003 0.000 0.989 195 K CA -0.283 56.023 56.287 0.031 0.000 0.985 195 K CB 0.731 33.150 32.500 -0.135 0.000 1.221 195 K HN 0.096 nan 8.250 nan 0.000 0.458 196 N N 3.523 122.270 118.700 0.077 0.000 2.456 196 N HA 0.469 5.209 4.740 -0.000 0.000 0.296 196 N C -0.688 174.907 175.510 0.142 0.000 1.102 196 N CA -0.470 52.643 53.050 0.105 0.000 0.924 196 N CB 1.685 40.283 38.487 0.185 0.000 1.186 196 N HN 0.289 nan 8.380 nan 0.000 0.492 197 I N 2.367 123.013 120.570 0.127 0.000 2.586 197 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 197 I C -2.298 173.908 176.117 0.148 0.000 1.147 197 I CA -1.673 59.723 61.300 0.159 0.000 1.047 197 I CB 2.363 40.464 38.000 0.169 0.000 1.244 197 I HN 0.240 nan 8.210 nan 0.000 0.429 198 P HA 0.108 nan 4.420 nan 0.000 0.246 198 P C -0.564 176.892 177.300 0.261 0.000 1.686 198 P CA 0.214 63.523 63.100 0.348 0.000 0.867 198 P CB -0.558 31.459 31.700 0.528 0.000 1.733 199 F N 2.755 122.652 119.950 -0.088 0.000 2.518 199 F HA 0.522 5.049 4.527 -0.000 0.000 0.323 199 F C -1.252 174.410 175.800 -0.230 0.000 1.129 199 F CA -1.349 56.517 58.000 -0.222 0.000 0.920 199 F CB 1.424 40.141 39.000 -0.471 0.000 1.160 199 F HN -0.053 nan 8.300 nan 0.000 0.440 200 Y N 5.438 125.021 120.300 -1.194 0.000 2.605 200 Y HA 0.840 5.390 4.550 -0.000 0.000 0.343 200 Y C -1.301 173.907 175.900 -1.153 0.000 1.036 200 Y CA -1.784 55.720 58.100 -0.993 0.000 1.065 200 Y CB 1.637 39.750 38.460 -0.579 0.000 1.288 200 Y HN 0.779 nan 8.280 nan 0.000 0.481 201 M N 1.273 120.543 119.600 -0.551 0.000 2.618 201 M HA 0.847 5.327 4.480 -0.000 0.000 0.281 201 M C -1.322 174.876 176.300 -0.171 0.000 1.267 201 M CA -0.679 54.333 55.300 -0.481 0.000 0.845 201 M CB 2.568 34.931 32.600 -0.395 0.000 1.732 201 M HN 0.878 nan 8.290 nan 0.000 0.461 202 T N -2.279 112.083 114.554 -0.321 0.000 2.910 202 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 202 T C 0.253 174.875 174.700 -0.130 0.000 1.050 202 T CA -0.659 61.336 62.100 -0.174 0.000 1.011 202 T CB 1.126 69.774 68.868 -0.367 0.000 1.195 202 T HN 0.840 nan 8.240 nan 0.000 0.540 203 N N -0.094 118.608 118.700 0.005 0.000 2.413 203 N HA -0.011 4.729 4.740 -0.000 0.000 0.207 203 N C 0.772 176.259 175.510 -0.038 0.000 1.206 203 N CA -0.212 52.821 53.050 -0.028 0.000 0.832 203 N CB -0.290 38.217 38.487 0.034 0.000 1.037 203 N HN 0.744 nan 8.380 nan 0.000 0.467 204 R N -0.114 120.344 120.500 -0.070 0.000 2.509 204 R HA 0.200 4.540 4.340 -0.000 0.000 0.300 204 R C 0.374 176.712 176.300 0.064 0.000 0.985 204 R CA 0.441 56.560 56.100 0.031 0.000 1.092 204 R CB -0.234 30.158 30.300 0.153 0.000 1.237 204 R HN 0.223 nan 8.270 nan 0.000 0.546 205 G N 1.096 109.873 108.800 -0.039 0.000 2.176 205 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 205 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 205 G C -0.540 174.405 174.900 0.075 0.000 1.024 205 G CA 0.876 45.977 45.100 0.002 0.000 0.755 205 G HN 0.529 nan 8.290 nan 0.000 0.507 206 Y N -2.385 117.894 120.300 -0.035 0.000 2.615 206 Y HA 0.810 5.360 4.550 -0.000 0.000 0.341 206 Y C 0.239 176.067 175.900 -0.121 0.000 1.089 206 Y CA -1.318 56.749 58.100 -0.056 0.000 1.049 206 Y CB 0.959 39.389 38.460 -0.049 0.000 1.296 206 Y HN 0.732 nan 8.280 nan 0.000 0.470 207 G N 0.086 108.893 108.800 0.012 0.000 2.680 207 G HA2 0.641 4.601 3.960 -0.000 0.000 0.290 207 G HA3 0.641 4.601 3.960 -0.000 0.000 0.290 207 G C -1.914 172.851 174.900 -0.225 0.000 1.355 207 G CA -0.680 44.239 45.100 -0.303 0.000 0.903 207 G HN 1.579 nan 8.290 nan 0.000 0.474 208 V N -0.535 118.993 119.914 -0.642 0.000 2.733 208 V HA 0.797 4.917 4.120 -0.000 0.000 0.306 208 V C -1.671 174.326 176.094 -0.160 0.000 1.084 208 V CA -1.003 61.105 62.300 -0.320 0.000 0.905 208 V CB 1.521 33.127 31.823 -0.362 0.000 1.010 208 V HN 0.979 nan 8.190 nan 0.000 0.424 209 L N 6.691 128.061 121.223 0.244 0.000 2.287 209 L HA 0.741 5.081 4.340 -0.000 0.000 0.287 209 L C -0.502 176.568 176.870 0.333 0.000 1.022 209 L CA -0.070 54.998 54.840 0.380 0.000 0.814 209 L CB 1.687 44.077 42.059 0.550 0.000 1.217 209 L HN 0.648 nan 8.230 nan 0.000 0.420 210 V N 5.139 125.197 119.914 0.241 0.000 2.368 210 V HA 0.206 4.326 4.120 -0.000 0.000 0.266 210 V C 0.664 176.939 176.094 0.301 0.000 1.045 210 V CA -0.486 61.926 62.300 0.185 0.000 0.899 210 V CB 0.706 32.532 31.823 0.004 0.000 1.006 210 V HN 0.793 nan 8.190 nan 0.000 0.470 211 N N 4.489 123.301 118.700 0.187 0.000 3.167 211 N HA 0.007 4.747 4.740 -0.000 0.000 0.318 211 N C -0.351 174.982 175.510 -0.295 0.000 1.268 211 N CA 0.208 53.354 53.050 0.161 0.000 1.197 211 N CB -0.513 38.132 38.487 0.264 0.000 1.464 211 N HN 0.667 nan 8.380 nan 0.000 0.555 212 H N -0.415 118.864 119.070 0.347 0.000 2.924 212 H HA 0.241 4.797 4.556 -0.000 0.000 0.333 212 H C -1.938 173.419 175.328 0.048 0.000 0.979 212 H CA -1.537 54.589 56.048 0.131 0.000 1.326 212 H CB 2.048 31.891 29.762 0.135 0.000 1.600 212 H HN 0.165 nan 8.280 nan 0.000 0.520 213 P HA -0.083 nan 4.420 nan 0.000 0.225 213 P C 0.181 177.588 177.300 0.178 0.000 1.156 213 P CA 0.833 63.817 63.100 -0.193 0.000 0.787 213 P CB 0.599 32.031 31.700 -0.448 0.000 0.802 214 Q N -0.975 118.960 119.800 0.225 0.000 2.526 214 Q HA 0.141 4.481 4.340 -0.000 0.000 0.207 214 Q C 0.287 176.539 176.000 0.420 0.000 1.078 214 Q CA -0.393 55.616 55.803 0.343 0.000 1.041 214 Q CB -0.607 28.269 28.738 0.230 0.000 1.228 214 Q HN 0.000 nan 8.270 nan 0.000 0.603 215 C N 0.664 120.239 119.300 0.459 0.000 2.642 215 C HA 0.339 4.798 4.460 -0.000 0.000 0.420 215 C C -0.265 174.868 174.990 0.238 0.000 1.349 215 C CA -0.285 58.963 59.018 0.383 0.000 1.821 215 C CB -0.840 26.935 27.740 0.059 0.000 2.637 215 C HN 0.500 nan 8.230 nan 0.000 0.605 216 V N 6.432 126.512 119.914 0.276 0.000 2.540 216 V HA 0.437 4.557 4.120 -0.000 0.000 0.302 216 V C 0.105 176.275 176.094 0.126 0.000 1.035 216 V CA -0.200 62.197 62.300 0.161 0.000 0.873 216 V CB 1.921 33.868 31.823 0.206 0.000 0.992 216 V HN 0.930 nan 8.190 nan 0.000 0.428 217 S N 4.763 120.449 115.700 -0.023 0.000 2.420 217 S HA 0.664 5.134 4.470 -0.000 0.000 0.313 217 S C -0.934 173.626 174.600 -0.067 0.000 1.079 217 S CA -0.362 57.840 58.200 0.002 0.000 1.104 217 S CB -0.107 63.049 63.200 -0.073 0.000 0.969 217 S HN 0.392 nan 8.310 nan 0.000 0.471 218 F N 3.135 123.122 119.950 0.063 0.000 2.415 218 F HA 0.422 4.949 4.527 -0.000 0.000 0.348 218 F C 0.778 176.572 175.800 -0.009 0.000 1.119 218 F CA -0.635 57.397 58.000 0.054 0.000 1.069 218 F CB 1.387 40.396 39.000 0.016 0.000 1.124 218 F HN 0.401 nan 8.300 nan 0.000 0.472 219 E N 3.722 124.001 120.200 0.133 0.000 2.376 219 E HA 0.210 4.560 4.350 -0.000 0.000 0.236 219 E C -0.845 175.769 176.600 0.024 0.000 0.962 219 E CA -0.323 56.101 56.400 0.040 0.000 0.768 219 E CB 1.571 31.259 29.700 -0.019 0.000 1.236 219 E HN 0.242 nan 8.360 nan 0.000 0.431 220 V N 1.747 121.660 119.914 -0.002 0.000 2.326 220 V HA 0.193 4.313 4.120 -0.000 0.000 0.249 220 V C 1.439 177.485 176.094 -0.080 0.000 1.114 220 V CA 0.468 62.721 62.300 -0.080 0.000 1.028 220 V CB 0.042 31.773 31.823 -0.153 0.000 1.170 220 V HN 0.897 nan 8.190 nan 0.000 0.494 221 G N 4.481 113.242 108.800 -0.065 0.000 2.187 221 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 221 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 221 G C 0.902 175.770 174.900 -0.053 0.000 1.000 221 G CA 0.809 45.874 45.100 -0.059 0.000 0.718 221 G HN 0.940 nan 8.290 nan 0.000 0.519 222 S N -1.766 113.905 115.700 -0.049 0.000 2.497 222 S HA 0.313 4.783 4.470 -0.000 0.000 0.221 222 S C 1.511 176.080 174.600 -0.052 0.000 1.037 222 S CA 0.996 59.168 58.200 -0.046 0.000 0.920 222 S CB 0.541 63.718 63.200 -0.038 0.000 0.800 222 S HN 0.589 nan 8.310 nan 0.000 0.505 223 E N 1.026 121.192 120.200 -0.057 0.000 2.176 223 E HA 0.166 4.516 4.350 -0.000 0.000 0.194 223 E C -0.405 176.151 176.600 -0.072 0.000 0.947 223 E CA 0.137 56.494 56.400 -0.070 0.000 0.960 223 E CB 0.446 30.096 29.700 -0.084 0.000 1.002 223 E HN 0.036 nan 8.360 nan 0.000 0.479 224 K N 2.493 122.853 120.400 -0.066 0.000 2.268 224 K HA 0.103 4.423 4.320 -0.000 0.000 0.276 224 K C 1.076 177.643 176.600 -0.055 0.000 1.080 224 K CA 0.014 56.261 56.287 -0.066 0.000 0.910 224 K CB 1.473 33.938 32.500 -0.058 0.000 1.163 224 K HN 0.226 nan 8.250 nan 0.000 0.465 225 V N 0.733 120.613 119.914 -0.057 0.000 2.527 225 V HA -0.228 3.892 4.120 -0.000 0.000 0.255 225 V C 1.175 177.245 176.094 -0.039 0.000 1.081 225 V CA 2.207 64.478 62.300 -0.048 0.000 1.092 225 V CB -0.677 31.118 31.823 -0.046 0.000 0.673 225 V HN 0.614 nan 8.190 nan 0.000 0.470 226 S N -0.854 114.825 115.700 -0.034 0.000 2.561 226 S HA 0.483 4.953 4.470 -0.000 0.000 0.245 226 S C 0.081 174.677 174.600 -0.006 0.000 1.001 226 S CA -0.684 57.505 58.200 -0.019 0.000 1.002 226 S CB -0.388 62.802 63.200 -0.016 0.000 0.805 226 S HN 0.802 nan 8.310 nan 0.000 0.458 227 K N 0.060 120.452 120.400 -0.014 0.000 2.556 227 K HA 0.510 4.829 4.320 -0.000 0.000 0.274 227 K C -1.745 174.849 176.600 -0.011 0.000 0.966 227 K CA -0.897 55.392 56.287 0.003 0.000 0.865 227 K CB 2.259 34.758 32.500 -0.003 0.000 1.444 227 K HN -0.009 nan 8.250 nan 0.000 0.433 228 V N 2.215 122.137 119.914 0.013 0.000 2.328 228 V HA 0.205 4.325 4.120 -0.000 0.000 0.278 228 V C -0.271 175.868 176.094 0.074 0.000 1.021 228 V CA -0.525 61.776 62.300 0.002 0.000 0.838 228 V CB 1.083 32.833 31.823 -0.122 0.000 0.999 228 V HN 0.634 nan 8.190 nan 0.000 0.447 229 Q N 5.427 125.254 119.800 0.045 0.000 2.271 229 Q HA 0.631 4.971 4.340 -0.000 0.000 0.258 229 Q C -1.482 174.526 176.000 0.013 0.000 0.936 229 Q CA -0.576 55.207 55.803 -0.033 0.000 0.909 229 Q CB 1.443 30.163 28.738 -0.029 0.000 1.253 229 Q HN 0.720 nan 8.270 nan 0.000 0.440 230 F N 0.696 120.564 119.950 -0.137 0.000 2.556 230 F HA 0.740 5.267 4.527 -0.000 0.000 0.314 230 F C -0.967 174.731 175.800 -0.169 0.000 1.106 230 F CA -0.911 56.872 58.000 -0.362 0.000 0.911 230 F CB 1.672 40.235 39.000 -0.728 0.000 1.190 230 F HN 0.406 nan 8.300 nan 0.000 0.448 231 S N 2.192 117.878 115.700 -0.024 0.000 2.549 231 S HA 0.867 5.337 4.470 -0.000 0.000 0.280 231 S C -1.673 172.933 174.600 0.010 0.000 1.109 231 S CA -0.852 57.358 58.200 0.018 0.000 0.905 231 S CB 1.775 64.929 63.200 -0.076 0.000 1.081 231 S HN 1.208 nan 8.310 nan 0.000 0.477 232 V N 0.823 120.770 119.914 0.056 0.000 2.971 232 V HA 0.529 4.649 4.120 -0.000 0.000 0.309 232 V C -0.952 175.216 176.094 0.124 0.000 1.130 232 V CA -0.763 61.548 62.300 0.018 0.000 0.964 232 V CB 1.954 33.650 31.823 -0.211 0.000 1.029 232 V HN 1.108 nan 8.190 nan 0.000 0.427 233 E N 3.461 123.751 120.200 0.150 0.000 2.029 233 E HA 0.514 4.864 4.350 -0.000 0.000 0.276 233 E C -0.554 175.988 176.600 -0.096 0.000 1.163 233 E CA 0.247 56.649 56.400 0.004 0.000 0.909 233 E CB 0.474 30.132 29.700 -0.069 0.000 1.046 233 E HN 0.736 nan 8.360 nan 0.000 0.406 234 S N 2.978 118.622 115.700 -0.092 0.000 2.615 234 S HA 0.132 4.602 4.470 -0.000 0.000 0.268 234 S C -0.299 174.333 174.600 0.053 0.000 1.146 234 S CA -0.691 57.446 58.200 -0.105 0.000 0.818 234 S CB 1.318 64.280 63.200 -0.397 0.000 1.111 234 S HN 0.483 nan 8.310 nan 0.000 0.465 235 E N 0.740 121.026 120.200 0.142 0.000 2.479 235 E HA 0.218 4.568 4.350 -0.000 0.000 0.193 235 E C -0.753 176.042 176.600 0.325 0.000 1.049 235 E CA 0.376 56.943 56.400 0.279 0.000 0.870 235 E CB 0.149 30.029 29.700 0.300 0.000 0.944 235 E HN 0.553 nan 8.360 nan 0.000 0.492 236 Y N -2.041 118.365 120.300 0.177 0.000 2.552 236 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 236 Y C -1.623 174.414 175.900 0.228 0.000 1.094 236 Y CA -1.683 56.531 58.100 0.189 0.000 1.028 236 Y CB 0.790 39.348 38.460 0.164 0.000 1.321 236 Y HN -0.211 nan 8.280 nan 0.000 0.456 237 L N 3.166 124.602 121.223 0.354 0.000 2.349 237 L HA 0.613 4.953 4.340 -0.000 0.000 0.278 237 L C -1.135 176.073 176.870 0.562 0.000 0.996 237 L CA -0.531 54.565 54.840 0.427 0.000 0.825 237 L CB 1.733 43.997 42.059 0.341 0.000 1.243 237 L HN 0.892 nan 8.230 nan 0.000 0.412 238 E N 4.272 124.857 120.200 0.642 0.000 2.191 238 E HA 0.487 4.837 4.350 -0.000 0.000 0.263 238 E C -1.917 174.801 176.600 0.197 0.000 0.881 238 E CA -0.632 55.942 56.400 0.290 0.000 0.757 238 E CB 1.302 31.155 29.700 0.255 0.000 1.147 238 E HN 0.574 nan 8.360 nan 0.000 0.414 239 Y N 1.541 121.796 120.300 -0.074 0.000 2.581 239 Y HA 0.681 5.231 4.550 -0.000 0.000 0.345 239 Y C -1.672 174.024 175.900 -0.340 0.000 1.036 239 Y CA -1.538 56.513 58.100 -0.081 0.000 1.042 239 Y CB 0.954 39.473 38.460 0.097 0.000 1.289 239 Y HN 0.225 nan 8.280 nan 0.000 0.471 240 F N 1.597 121.632 119.950 0.142 0.000 2.449 240 F HA 0.596 5.123 4.527 -0.000 0.000 0.342 240 F C -0.637 175.157 175.800 -0.010 0.000 1.127 240 F CA -1.206 56.781 58.000 -0.021 0.000 0.975 240 F CB 2.089 41.125 39.000 0.060 0.000 1.146 240 F HN 0.359 nan 8.300 nan 0.000 0.444 241 V N 5.527 125.449 119.914 0.012 0.000 2.406 241 V HA 0.327 4.447 4.120 -0.000 0.000 0.272 241 V C 0.137 176.226 176.094 -0.008 0.000 1.043 241 V CA -0.489 61.751 62.300 -0.100 0.000 0.915 241 V CB 0.946 32.477 31.823 -0.486 0.000 0.988 241 V HN 0.509 nan 8.190 nan 0.000 0.466 242 I N 3.918 124.521 120.570 0.056 0.000 2.355 242 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 242 I C -0.055 176.111 176.117 0.083 0.000 0.999 242 I CA -0.471 60.869 61.300 0.067 0.000 1.163 242 I CB 1.538 39.622 38.000 0.140 0.000 1.316 242 I HN 0.526 nan 8.210 nan 0.000 0.454 243 D N 4.444 124.871 120.400 0.045 0.000 2.372 243 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 243 D C 0.741 177.071 176.300 0.049 0.000 1.121 243 D CA 0.233 54.267 54.000 0.056 0.000 0.898 243 D CB 1.644 42.457 40.800 0.021 0.000 1.202 243 D HN 0.596 nan 8.370 nan 0.000 0.428 244 G N 1.691 110.526 108.800 0.059 0.000 2.593 244 G HA2 0.087 4.047 3.960 -0.000 0.000 0.212 244 G HA3 0.087 4.047 3.960 -0.000 0.000 0.212 244 G C -1.289 173.616 174.900 0.008 0.000 1.934 244 G CA -0.057 45.060 45.100 0.028 0.000 0.861 244 G HN 0.625 nan 8.290 nan 0.000 0.629 245 P HA 0.116 nan 4.420 nan 0.000 0.245 245 P C 0.216 177.519 177.300 0.005 0.000 1.212 245 P CA 0.894 64.007 63.100 0.021 0.000 0.774 245 P CB 0.010 31.720 31.700 0.017 0.000 0.999 246 T N -4.885 109.660 114.554 -0.015 0.000 2.932 246 T HA 0.442 4.792 4.350 -0.000 0.000 0.289 246 T C -2.243 172.424 174.700 -0.055 0.000 1.039 246 T CA -2.347 59.730 62.100 -0.039 0.000 1.024 246 T CB 1.988 70.826 68.868 -0.049 0.000 1.090 246 T HN -0.367 nan 8.240 nan 0.000 0.496 247 P HA -0.105 nan 4.420 nan 0.000 0.216 247 P C 1.329 178.579 177.300 -0.083 0.000 1.154 247 P CA 1.347 64.383 63.100 -0.106 0.000 0.865 247 P CB 0.091 31.692 31.700 -0.164 0.000 0.789 248 K N -0.957 119.389 120.400 -0.089 0.000 2.148 248 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 248 K C 2.086 178.648 176.600 -0.064 0.000 1.050 248 K CA 1.309 57.546 56.287 -0.084 0.000 0.942 248 K CB -0.473 31.970 32.500 -0.096 0.000 0.724 248 K HN 0.062 nan 8.250 nan 0.000 0.446 249 A N 0.933 123.722 122.820 -0.051 0.000 1.929 249 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 249 A C 2.314 179.886 177.584 -0.019 0.000 1.176 249 A CA 1.012 53.026 52.037 -0.037 0.000 0.628 249 A CB -0.445 18.538 19.000 -0.030 0.000 0.816 249 A HN 0.036 nan 8.150 nan 0.000 0.444 250 V N 0.434 120.346 119.914 -0.003 0.000 2.261 250 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 250 V C 2.517 178.641 176.094 0.051 0.000 1.047 250 V CA 2.002 64.327 62.300 0.042 0.000 1.015 250 V CB -0.858 31.000 31.823 0.058 0.000 0.642 250 V HN 0.582 nan 8.190 nan 0.000 0.446 251 L N 0.113 121.347 121.223 0.017 0.000 2.261 251 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 251 L C 2.388 179.232 176.870 -0.044 0.000 1.114 251 L CA 1.590 56.424 54.840 -0.010 0.000 0.777 251 L CB -0.662 41.366 42.059 -0.050 0.000 0.910 251 L HN 0.447 nan 8.230 nan 0.000 0.440 252 D N 0.449 120.818 120.400 -0.051 0.000 2.123 252 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 252 D C 2.294 178.550 176.300 -0.073 0.000 0.976 252 D CA 1.086 55.041 54.000 -0.074 0.000 0.831 252 D CB 0.188 40.948 40.800 -0.067 0.000 0.974 252 D HN 0.216 nan 8.370 nan 0.000 0.469 253 R N -0.780 119.694 120.500 -0.043 0.000 2.090 253 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 253 R C 2.335 178.614 176.300 -0.035 0.000 1.110 253 R CA 0.779 56.851 56.100 -0.047 0.000 0.973 253 R CB -0.487 29.792 30.300 -0.035 0.000 0.869 253 R HN 0.303 nan 8.270 nan 0.000 0.440 254 Y N 2.117 122.324 120.300 -0.156 0.000 2.163 254 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 254 Y C 2.502 178.240 175.900 -0.270 0.000 1.136 254 Y CA 2.024 59.978 58.100 -0.244 0.000 1.147 254 Y CB -0.540 37.594 38.460 -0.544 0.000 0.987 254 Y HN 0.071 nan 8.280 nan 0.000 0.509 255 T N -1.303 113.010 114.554 -0.401 0.000 2.915 255 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 255 T C 2.017 176.499 174.700 -0.362 0.000 1.071 255 T CA 1.325 63.136 62.100 -0.481 0.000 1.132 255 T CB -0.447 68.224 68.868 -0.328 0.000 0.878 255 T HN 0.403 nan 8.240 nan 0.000 0.479 256 R N -0.637 119.725 120.500 -0.230 0.000 2.090 256 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 256 R C 2.120 178.348 176.300 -0.120 0.000 1.110 256 R CA 0.882 56.889 56.100 -0.155 0.000 0.973 256 R CB -0.366 29.873 30.300 -0.100 0.000 0.869 256 R HN 0.413 nan 8.270 nan 0.000 0.440 257 F N 1.042 120.780 119.950 -0.354 0.000 2.149 257 F HA -0.054 4.473 4.527 -0.000 0.000 0.294 257 F C 2.123 177.658 175.800 -0.442 0.000 1.095 257 F CA 1.908 59.684 58.000 -0.373 0.000 1.276 257 F CB -0.459 38.308 39.000 -0.388 0.000 1.023 257 F HN 0.088 nan 8.300 nan 0.000 0.480 258 T N -2.258 111.867 114.554 -0.716 0.000 3.023 258 T HA 0.523 4.873 4.350 -0.000 0.000 0.253 258 T C 0.702 175.020 174.700 -0.637 0.000 1.038 258 T CA 0.322 61.920 62.100 -0.837 0.000 0.962 258 T CB -0.094 68.116 68.868 -1.096 0.000 1.018 258 T HN 0.613 nan 8.240 nan 0.000 0.521 259 G N 1.296 109.769 108.800 -0.545 0.000 2.542 259 G HA2 0.213 4.173 3.960 -0.000 0.000 0.391 259 G HA3 0.213 4.173 3.960 -0.000 0.000 0.391 259 G C -1.331 173.301 174.900 -0.447 0.000 1.551 259 G CA -1.281 43.544 45.100 -0.457 0.000 0.946 259 G HN 0.289 nan 8.290 nan 0.000 0.662 260 R N 1.912 122.209 120.500 -0.339 0.000 2.265 260 R HA 0.407 4.747 4.340 -0.000 0.000 0.314 260 R C -2.390 173.741 176.300 -0.282 0.000 1.053 260 R CA -1.792 54.141 56.100 -0.278 0.000 0.931 260 R CB 0.855 31.045 30.300 -0.185 0.000 1.024 260 R HN 0.302 nan 8.270 nan 0.000 0.457 261 P HA -0.026 nan 4.420 nan 0.000 0.266 261 P C -0.541 176.733 177.300 -0.044 0.000 1.195 261 P CA 0.331 63.330 63.100 -0.168 0.000 0.768 261 P CB 0.643 32.281 31.700 -0.104 0.000 0.838 262 A N 3.181 125.974 122.820 -0.044 0.000 2.287 262 A HA 0.405 4.724 4.320 -0.000 0.000 0.273 262 A C -0.452 177.217 177.584 0.141 0.000 1.091 262 A CA -0.354 51.711 52.037 0.047 0.000 0.817 262 A CB -0.025 19.024 19.000 0.083 0.000 1.069 262 A HN 0.553 nan 8.150 nan 0.000 0.492 263 L N 2.481 123.776 121.223 0.119 0.000 2.283 263 L HA 0.441 4.781 4.340 -0.000 0.000 0.287 263 L C -2.254 174.636 176.870 0.034 0.000 1.073 263 L CA -1.876 52.998 54.840 0.057 0.000 0.822 263 L CB 0.181 42.264 42.059 0.041 0.000 1.186 263 L HN 0.347 nan 8.230 nan 0.000 0.436 264 P HA 0.198 nan 4.420 nan 0.000 0.269 264 P C -2.625 174.758 177.300 0.139 0.000 1.215 264 P CA -0.938 62.104 63.100 -0.097 0.000 0.780 264 P CB -0.206 31.270 31.700 -0.373 0.000 0.898 265 P HA 0.002 nan 4.420 nan 0.000 0.272 265 P C 0.246 177.570 177.300 0.040 0.000 1.223 265 P CA 0.031 63.092 63.100 -0.065 0.000 0.784 265 P CB 0.719 32.162 31.700 -0.430 0.000 0.923 266 A N 4.296 127.176 122.820 0.099 0.000 1.948 266 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 266 A C 2.016 179.758 177.584 0.263 0.000 1.177 266 A CA 1.651 53.745 52.037 0.095 0.000 0.636 266 A CB -1.780 17.154 19.000 -0.111 0.000 0.815 266 A HN 0.843 nan 8.150 nan 0.000 0.449 267 W N 0.797 122.204 121.300 0.178 0.000 2.421 267 W HA -0.133 4.526 4.660 -0.000 0.000 0.270 267 W C 1.719 178.332 176.519 0.158 0.000 1.233 267 W CA 1.280 58.697 57.345 0.120 0.000 1.226 267 W CB -1.338 28.145 29.460 0.038 0.000 1.121 267 W HN 0.530 nan 8.180 nan 0.000 0.579 268 S N 0.179 115.730 115.700 -0.248 0.000 2.515 268 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 268 S C 1.366 176.067 174.600 0.167 0.000 0.987 268 S CA 0.539 58.704 58.200 -0.058 0.000 0.936 268 S CB -1.312 61.703 63.200 -0.308 0.000 0.766 268 S HN 0.179 nan 8.310 nan 0.000 0.528 269 F N 2.501 122.498 119.950 0.078 0.000 2.710 269 F HA 0.337 4.864 4.527 -0.000 0.000 0.298 269 F C 2.033 177.865 175.800 0.053 0.000 1.137 269 F CA -0.105 57.867 58.000 -0.047 0.000 1.444 269 F CB -0.614 38.345 39.000 -0.068 0.000 1.111 269 F HN 0.329 nan 8.300 nan 0.000 0.580 270 G N 0.208 109.130 108.800 0.203 0.000 2.525 270 G HA2 0.237 4.197 3.960 -0.000 0.000 0.276 270 G HA3 0.237 4.197 3.960 -0.000 0.000 0.276 270 G C -0.965 174.143 174.900 0.347 0.000 1.388 270 G CA -0.520 44.586 45.100 0.010 0.000 1.050 270 G HN 0.005 nan 8.290 nan 0.000 0.520 271 L N -0.448 121.085 121.223 0.517 0.000 2.290 271 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 271 L C -1.153 175.972 176.870 0.425 0.000 1.078 271 L CA -0.893 54.218 54.840 0.452 0.000 0.815 271 L CB 0.634 42.908 42.059 0.359 0.000 1.162 271 L HN 0.423 nan 8.230 nan 0.000 0.435 272 W N 6.222 127.565 121.300 0.072 0.000 2.469 272 W HA 0.560 5.220 4.660 -0.000 0.000 0.320 272 W C -0.532 175.941 176.519 -0.077 0.000 1.086 272 W CA -0.557 56.770 57.345 -0.030 0.000 1.211 272 W CB 1.146 30.502 29.460 -0.174 0.000 1.298 272 W HN 0.255 nan 8.180 nan 0.000 0.525 273 L N 2.925 124.212 121.223 0.105 0.000 2.381 273 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 273 L C -0.593 176.157 176.870 -0.201 0.000 0.997 273 L CA -0.303 54.547 54.840 0.018 0.000 0.818 273 L CB 2.010 44.140 42.059 0.118 0.000 1.310 273 L HN 0.395 nan 8.230 nan 0.000 0.416 274 T N 0.991 115.440 114.554 -0.174 0.000 2.912 274 T HA 0.293 4.643 4.350 -0.000 0.000 0.288 274 T C 1.183 175.771 174.700 -0.188 0.000 1.030 274 T CA 0.013 61.970 62.100 -0.238 0.000 1.020 274 T CB 1.672 70.585 68.868 0.075 0.000 1.056 274 T HN 0.748 nan 8.240 nan 0.000 0.480 275 T N -0.542 113.832 114.554 -0.300 0.000 3.035 275 T HA 0.171 4.521 4.350 -0.000 0.000 0.268 275 T C 0.653 175.352 174.700 -0.002 0.000 1.109 275 T CA 0.284 62.253 62.100 -0.217 0.000 1.119 275 T CB -0.288 68.037 68.868 -0.905 0.000 0.900 275 T HN 0.697 nan 8.240 nan 0.000 0.503 276 S N -0.564 115.202 115.700 0.110 0.000 4.055 276 S HA -0.109 4.360 4.470 -0.000 0.000 0.663 276 S C -0.213 174.612 174.600 0.374 0.000 1.078 276 S CA -0.101 58.192 58.200 0.155 0.000 1.223 276 S CB -1.432 61.776 63.200 0.014 0.000 0.379 276 S HN 0.322 nan 8.310 nan 0.000 1.117 277 F N 2.247 122.269 119.950 0.120 0.000 2.044 277 F HA 0.155 4.682 4.527 -0.000 0.000 0.286 277 F C 2.503 178.546 175.800 0.404 0.000 1.173 277 F CA 2.148 60.331 58.000 0.304 0.000 1.141 277 F CB -1.032 38.105 39.000 0.228 0.000 1.012 277 F HN 0.779 nan 8.300 nan 0.000 0.482 278 T N -0.828 113.665 114.554 -0.101 0.000 3.287 278 T HA 0.248 4.598 4.350 -0.000 0.000 0.253 278 T C 0.365 174.928 174.700 -0.228 0.000 0.975 278 T CA 0.146 62.082 62.100 -0.273 0.000 0.912 278 T CB -1.606 67.089 68.868 -0.289 0.000 1.071 278 T HN 0.407 nan 8.240 nan 0.000 0.578 279 T N -0.776 113.742 114.554 -0.060 0.000 2.897 279 T HA 0.432 4.782 4.350 -0.000 0.000 0.278 279 T C -0.061 174.661 174.700 0.037 0.000 0.981 279 T CA -0.980 61.069 62.100 -0.085 0.000 0.973 279 T CB 0.723 69.455 68.868 -0.226 0.000 1.092 279 T HN 0.336 nan 8.240 nan 0.000 0.543 280 N N 0.625 119.386 118.700 0.102 0.000 2.524 280 N HA 0.557 5.297 4.740 -0.000 0.000 0.283 280 N C -1.447 174.337 175.510 0.457 0.000 1.142 280 N CA -0.618 52.480 53.050 0.081 0.000 0.984 280 N CB 0.644 39.161 38.487 0.050 0.000 1.155 280 N HN 0.779 nan 8.380 nan 0.000 0.467 281 Y N -1.113 119.308 120.300 0.201 0.000 2.583 281 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 281 Y C -1.765 174.268 175.900 0.221 0.000 1.185 281 Y CA -1.233 57.047 58.100 0.299 0.000 1.107 281 Y CB 0.987 39.746 38.460 0.499 0.000 1.344 281 Y HN 0.467 nan 8.280 nan 0.000 0.463 282 D N 0.562 121.191 120.400 0.381 0.000 2.768 282 D HA 0.149 4.789 4.640 -0.000 0.000 0.327 282 D C 0.193 176.733 176.300 0.399 0.000 1.302 282 D CA -0.628 53.462 54.000 0.150 0.000 0.897 282 D CB 1.956 42.707 40.800 -0.082 0.000 1.420 282 D HN 0.742 nan 8.370 nan 0.000 0.494 283 E N 0.204 120.622 120.200 0.363 0.000 2.049 283 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 283 E C 2.067 178.747 176.600 0.133 0.000 1.007 283 E CA 1.963 58.550 56.400 0.311 0.000 0.809 283 E CB -0.347 29.484 29.700 0.219 0.000 0.749 283 E HN 0.493 nan 8.360 nan 0.000 0.450 284 A N 0.200 123.057 122.820 0.062 0.000 1.903 284 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 284 A C 2.440 179.987 177.584 -0.063 0.000 1.191 284 A CA 2.538 54.567 52.037 -0.013 0.000 0.638 284 A CB -1.314 17.670 19.000 -0.027 0.000 0.823 284 A HN 0.416 nan 8.150 nan 0.000 0.451 285 T N -0.517 114.019 114.554 -0.030 0.000 2.746 285 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 285 T C 1.879 176.456 174.700 -0.205 0.000 1.039 285 T CA 1.531 63.541 62.100 -0.150 0.000 1.142 285 T CB -0.462 68.432 68.868 0.043 0.000 0.866 285 T HN 0.189 nan 8.240 nan 0.000 0.444 286 V N 2.178 122.106 119.914 0.022 0.000 2.237 286 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 286 V C 2.340 178.321 176.094 -0.187 0.000 1.046 286 V CA 1.882 64.135 62.300 -0.077 0.000 1.007 286 V CB -0.782 30.971 31.823 -0.117 0.000 0.638 286 V HN 0.415 nan 8.190 nan 0.000 0.445 287 N N 0.151 118.765 118.700 -0.143 0.000 2.137 287 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 287 N C 2.034 177.460 175.510 -0.139 0.000 1.017 287 N CA 1.666 54.634 53.050 -0.137 0.000 0.859 287 N CB -0.523 37.906 38.487 -0.098 0.000 1.002 287 N HN 0.422 nan 8.380 nan 0.000 0.428 288 S N -0.794 114.786 115.700 -0.200 0.000 2.400 288 S HA -0.087 4.383 4.470 -0.000 0.000 0.232 288 S C 1.467 175.967 174.600 -0.166 0.000 1.025 288 S CA 0.973 59.023 58.200 -0.250 0.000 0.993 288 S CB -0.285 62.679 63.200 -0.394 0.000 0.808 288 S HN 0.244 nan 8.310 nan 0.000 0.478 289 F N 1.197 121.141 119.950 -0.009 0.000 2.270 289 F HA 0.315 4.842 4.527 -0.000 0.000 0.295 289 F C 2.042 177.884 175.800 0.069 0.000 1.087 289 F CA -0.063 58.008 58.000 0.118 0.000 1.365 289 F CB -0.635 38.400 39.000 0.057 0.000 1.056 289 F HN 0.195 nan 8.300 nan 0.000 0.506 290 I N 0.075 120.699 120.570 0.091 0.000 2.179 290 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 290 I C 1.883 177.991 176.117 -0.015 0.000 1.088 290 I CA 1.521 62.812 61.300 -0.014 0.000 1.357 290 I CB -0.457 37.458 38.000 -0.141 0.000 1.051 290 I HN 0.059 nan 8.210 nan 0.000 0.409 291 D N 0.894 121.262 120.400 -0.052 0.000 2.219 291 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 291 D C 2.171 178.397 176.300 -0.124 0.000 0.970 291 D CA 1.385 55.333 54.000 -0.087 0.000 0.851 291 D CB -0.375 40.362 40.800 -0.105 0.000 0.943 291 D HN 0.416 nan 8.370 nan 0.000 0.488 292 G N 0.956 109.675 108.800 -0.135 0.000 2.418 292 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 292 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 292 G C 1.610 176.301 174.900 -0.348 0.000 1.158 292 G CA 0.474 45.319 45.100 -0.425 0.000 0.771 292 G HN 0.098 nan 8.290 nan 0.000 0.545 293 M N 1.091 120.703 119.600 0.019 0.000 2.077 293 M HA 0.066 4.545 4.480 -0.000 0.000 0.261 293 M C 3.120 179.431 176.300 0.019 0.000 1.070 293 M CA 1.412 56.793 55.300 0.136 0.000 1.125 293 M CB -1.368 31.346 32.600 0.190 0.000 1.339 293 M HN 0.306 nan 8.290 nan 0.000 0.409 294 A N 0.481 123.288 122.820 -0.021 0.000 1.892 294 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 294 A C 2.037 179.588 177.584 -0.055 0.000 1.188 294 A CA 2.171 54.182 52.037 -0.043 0.000 0.631 294 A CB -0.970 17.995 19.000 -0.058 0.000 0.822 294 A HN 0.612 nan 8.150 nan 0.000 0.447 295 E N -0.701 119.446 120.200 -0.090 0.000 2.118 295 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 295 E C 1.867 178.420 176.600 -0.079 0.000 0.992 295 E CA 1.224 57.565 56.400 -0.099 0.000 0.804 295 E CB -0.153 29.457 29.700 -0.149 0.000 0.741 295 E HN 0.541 nan 8.360 nan 0.000 0.458 296 R N 0.745 121.201 120.500 -0.074 0.000 2.356 296 R HA 0.098 4.438 4.340 -0.000 0.000 0.234 296 R C -0.214 176.100 176.300 0.023 0.000 0.929 296 R CA -0.065 56.024 56.100 -0.019 0.000 1.084 296 R CB 0.021 30.329 30.300 0.013 0.000 1.105 296 R HN 0.117 nan 8.270 nan 0.000 0.515 297 N N 1.121 119.824 118.700 0.005 0.000 2.714 297 N HA -0.191 4.549 4.740 -0.000 0.000 0.253 297 N C -1.100 174.434 175.510 0.040 0.000 1.024 297 N CA 0.937 53.994 53.050 0.012 0.000 0.726 297 N CB -1.064 37.428 38.487 0.008 0.000 0.908 297 N HN 0.301 nan 8.380 nan 0.000 0.542 298 L N 0.426 121.684 121.223 0.059 0.000 2.324 298 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 298 L C -2.098 174.804 176.870 0.054 0.000 1.012 298 L CA -1.623 53.275 54.840 0.095 0.000 0.859 298 L CB 1.455 43.617 42.059 0.172 0.000 1.224 298 L HN -0.259 nan 8.230 nan 0.000 0.429 299 P HA -0.005 nan 4.420 nan 0.000 0.262 299 P C -0.984 176.220 177.300 -0.160 0.000 1.182 299 P CA 0.166 63.224 63.100 -0.069 0.000 0.761 299 P CB 0.586 32.333 31.700 0.079 0.000 0.795 300 L N 4.757 125.747 121.223 -0.388 0.000 2.409 300 L HA 0.305 4.644 4.340 -0.000 0.000 0.272 300 L C -0.011 176.545 176.870 -0.523 0.000 0.980 300 L CA -0.394 54.281 54.840 -0.274 0.000 0.826 300 L CB 1.470 43.486 42.059 -0.072 0.000 1.268 300 L HN 0.507 nan 8.230 nan 0.000 0.407 301 H N 3.143 122.228 119.070 0.025 0.000 2.695 301 H HA 0.379 4.935 4.556 -0.000 0.000 0.267 301 H C -0.211 175.025 175.328 -0.153 0.000 0.973 301 H CA 0.074 56.107 56.048 -0.025 0.000 1.223 301 H CB 1.040 30.837 29.762 0.058 0.000 1.442 301 H HN 0.239 nan 8.280 nan 0.000 0.478 302 V N 1.096 120.921 119.914 -0.149 0.000 2.638 302 V HA 0.239 4.359 4.120 -0.000 0.000 0.306 302 V C -1.444 174.517 176.094 -0.222 0.000 1.052 302 V CA -0.957 61.095 62.300 -0.414 0.000 0.885 302 V CB 2.446 33.534 31.823 -1.225 0.000 0.999 302 V HN 0.089 nan 8.190 nan 0.000 0.424 303 F N 3.586 123.343 119.950 -0.322 0.000 2.458 303 F HA 0.702 5.229 4.527 -0.000 0.000 0.336 303 F C -0.356 175.290 175.800 -0.257 0.000 1.114 303 F CA -0.547 57.292 58.000 -0.268 0.000 0.987 303 F CB 1.419 40.233 39.000 -0.309 0.000 1.130 303 F HN 0.701 nan 8.300 nan 0.000 0.458 304 H N 5.256 123.573 119.070 -1.256 0.000 2.481 304 H HA 0.441 4.997 4.556 -0.000 0.000 0.333 304 H C -1.668 173.087 175.328 -0.954 0.000 1.066 304 H CA -0.674 54.879 56.048 -0.825 0.000 1.209 304 H CB 0.746 30.197 29.762 -0.519 0.000 1.445 304 H HN 0.468 nan 8.280 nan 0.000 0.488 305 F N 4.172 123.566 119.950 -0.926 0.000 2.371 305 F HA 0.170 4.697 4.527 -0.000 0.000 0.363 305 F C 0.695 176.129 175.800 -0.611 0.000 1.122 305 F CA -0.399 57.274 58.000 -0.546 0.000 1.129 305 F CB 0.471 39.292 39.000 -0.298 0.000 1.173 305 F HN 0.649 nan 8.300 nan 0.000 0.489 306 D N 1.246 121.564 120.400 -0.137 0.000 2.398 306 D HA 0.093 4.733 4.640 -0.000 0.000 0.264 306 D C 1.301 177.766 176.300 0.276 0.000 1.263 306 D CA -0.381 53.731 54.000 0.186 0.000 1.037 306 D CB 0.742 41.765 40.800 0.372 0.000 1.101 306 D HN 0.578 nan 8.370 nan 0.000 0.551 307 C N -0.367 118.724 119.300 -0.348 0.000 2.347 307 C HA -0.255 4.205 4.460 -0.000 0.000 0.270 307 C C 2.437 176.908 174.990 -0.866 0.000 1.145 307 C CA 0.567 58.809 59.018 -1.293 0.000 1.802 307 C CB -1.482 24.971 27.740 -2.144 0.000 2.084 307 C HN 0.535 nan 8.230 nan 0.000 0.446 308 F N 1.674 121.557 119.950 -0.111 0.000 2.754 308 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 308 F C 2.041 178.021 175.800 0.299 0.000 1.234 308 F CA 0.521 58.573 58.000 0.087 0.000 1.460 308 F CB -0.807 38.136 39.000 -0.096 0.000 1.120 308 F HN 0.627 nan 8.300 nan 0.000 0.592 309 W N -1.093 120.384 121.300 0.294 0.000 2.800 309 W HA 0.187 4.847 4.660 -0.000 0.000 0.249 309 W C 0.110 176.704 176.519 0.124 0.000 1.294 309 W CA 0.062 57.552 57.345 0.243 0.000 1.402 309 W CB -0.660 28.584 29.460 -0.359 0.000 1.126 309 W HN -0.017 nan 8.180 nan 0.000 0.652 310 M N 1.300 120.667 119.600 -0.388 0.000 2.654 310 M HA 0.307 4.787 4.480 -0.000 0.000 0.310 310 M C 0.019 176.346 176.300 0.045 0.000 1.211 310 M CA -0.735 54.351 55.300 -0.357 0.000 0.947 310 M CB 2.100 34.306 32.600 -0.656 0.000 1.647 310 M HN -0.401 nan 8.290 nan 0.000 0.481 311 K N 1.019 121.444 120.400 0.042 0.000 2.326 311 K HA 0.423 4.743 4.320 -0.000 0.000 0.275 311 K C -0.230 176.260 176.600 -0.184 0.000 1.018 311 K CA -0.388 55.910 56.287 0.018 0.000 0.962 311 K CB 0.652 33.166 32.500 0.022 0.000 0.953 311 K HN 0.692 nan 8.250 nan 0.000 0.475 312 A N 2.269 124.896 122.820 -0.323 0.000 2.555 312 A HA 0.085 4.405 4.320 -0.000 0.000 0.233 312 A C 0.061 177.128 177.584 -0.861 0.000 1.060 312 A CA 0.125 51.604 52.037 -0.929 0.000 0.759 312 A CB -0.616 17.886 19.000 -0.829 0.000 0.995 312 A HN 0.789 nan 8.150 nan 0.000 0.506 313 F N -1.619 117.700 119.950 -1.052 0.000 2.890 313 F HA -0.292 4.235 4.527 -0.000 0.000 0.346 313 F C 1.431 176.953 175.800 -0.464 0.000 0.660 313 F CA 1.965 59.545 58.000 -0.699 0.000 1.091 313 F CB -1.726 37.010 39.000 -0.439 0.000 1.535 313 F HN 0.738 nan 8.300 nan 0.000 0.314 314 Q N -1.407 118.205 119.800 -0.314 0.000 2.198 314 Q HA 0.033 4.373 4.340 -0.000 0.000 0.209 314 Q C -0.173 175.855 176.000 0.047 0.000 0.848 314 Q CA -0.396 55.366 55.803 -0.068 0.000 0.974 314 Q CB 0.212 28.939 28.738 -0.018 0.000 1.115 314 Q HN 0.296 nan 8.270 nan 0.000 0.494 315 W N 0.849 122.076 121.300 -0.122 0.000 2.549 315 W HA -0.099 4.561 4.660 -0.000 0.000 0.343 315 W C 0.665 177.259 176.519 0.125 0.000 1.278 315 W CA -0.402 56.906 57.345 -0.062 0.000 1.277 315 W CB -0.409 29.000 29.460 -0.086 0.000 1.249 315 W HN 0.236 nan 8.180 nan 0.000 0.572 316 C N 4.425 123.880 119.300 0.258 0.000 4.617 316 C HA -0.230 4.230 4.460 -0.000 0.000 0.314 316 C C 1.203 176.062 174.990 -0.218 0.000 1.194 316 C CA 0.559 59.529 59.018 -0.080 0.000 2.250 316 C CB -2.108 25.676 27.740 0.074 0.000 1.219 316 C HN 0.733 nan 8.230 nan 0.000 0.723 317 D N -0.584 119.725 120.400 -0.153 0.000 2.441 317 D HA 0.158 4.798 4.640 -0.000 0.000 0.210 317 D C 0.746 177.155 176.300 0.181 0.000 1.102 317 D CA 0.107 54.192 54.000 0.141 0.000 0.840 317 D CB -0.249 40.676 40.800 0.209 0.000 0.990 317 D HN 0.573 nan 8.370 nan 0.000 0.505 318 F N 0.814 120.809 119.950 0.075 0.000 3.058 318 F HA -0.170 4.357 4.527 -0.000 0.000 0.295 318 F C -0.360 175.496 175.800 0.093 0.000 0.875 318 F CA 0.264 58.297 58.000 0.055 0.000 1.150 318 F CB -2.125 36.922 39.000 0.077 0.000 1.175 318 F HN -0.058 nan 8.300 nan 0.000 0.599 319 E N -0.345 119.904 120.200 0.081 0.000 2.199 319 E HA 0.266 4.616 4.350 -0.000 0.000 0.265 319 E C -0.505 176.202 176.600 0.179 0.000 0.882 319 E CA -0.814 55.718 56.400 0.221 0.000 0.759 319 E CB 0.707 30.533 29.700 0.210 0.000 1.148 319 E HN 0.199 nan 8.360 nan 0.000 0.412 320 W N 1.863 123.377 121.300 0.356 0.000 2.210 320 W HA 0.018 4.678 4.660 -0.000 0.000 0.330 320 W C 1.068 177.773 176.519 0.310 0.000 1.334 320 W CA 0.069 57.666 57.345 0.420 0.000 1.227 320 W CB 0.365 30.052 29.460 0.379 0.000 1.178 320 W HN 0.299 nan 8.180 nan 0.000 0.560 321 D N 4.934 125.665 120.400 0.552 0.000 2.402 321 D HA -0.029 4.611 4.640 -0.000 0.000 0.268 321 D C -1.444 175.072 176.300 0.360 0.000 1.294 321 D CA -1.004 53.218 54.000 0.370 0.000 0.945 321 D CB 1.040 42.041 40.800 0.335 0.000 1.112 321 D HN 0.101 nan 8.370 nan 0.000 0.517 322 P HA -0.029 nan 4.420 nan 0.000 0.231 322 P C 1.174 178.547 177.300 0.122 0.000 1.158 322 P CA 0.635 63.852 63.100 0.196 0.000 0.763 322 P CB 0.286 32.079 31.700 0.154 0.000 0.805 323 L N -2.415 118.862 121.223 0.090 0.000 2.316 323 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 323 L C 1.886 178.732 176.870 -0.040 0.000 1.070 323 L CA 1.142 55.997 54.840 0.025 0.000 0.820 323 L CB -0.827 41.241 42.059 0.014 0.000 0.992 323 L HN -0.080 nan 8.230 nan 0.000 0.466 324 T N -0.588 113.908 114.554 -0.096 0.000 3.009 324 T HA 0.083 4.433 4.350 -0.000 0.000 0.258 324 T C 0.100 174.446 174.700 -0.589 0.000 1.063 324 T CA 0.755 62.623 62.100 -0.386 0.000 1.139 324 T CB 0.065 68.598 68.868 -0.557 0.000 0.890 324 T HN -0.044 nan 8.240 nan 0.000 0.471 325 F N 0.950 121.011 119.950 0.185 0.000 2.550 325 F HA 0.399 4.926 4.527 -0.000 0.000 0.348 325 F C -2.196 173.643 175.800 0.066 0.000 1.219 325 F CA -2.878 55.207 58.000 0.141 0.000 1.203 325 F CB 1.337 40.491 39.000 0.257 0.000 1.436 325 F HN -0.077 nan 8.300 nan 0.000 0.541 326 P HA -0.161 nan 4.420 nan 0.000 0.216 326 P C 0.052 177.377 177.300 0.041 0.000 1.150 326 P CA 1.527 64.675 63.100 0.080 0.000 0.837 326 P CB 0.305 32.031 31.700 0.042 0.000 0.786 327 D N -2.832 117.573 120.400 0.007 0.000 2.405 327 D HA 0.175 4.815 4.640 -0.000 0.000 0.264 327 D C -2.084 174.093 176.300 -0.205 0.000 1.240 327 D CA -2.198 51.755 54.000 -0.078 0.000 0.893 327 D CB 0.451 41.217 40.800 -0.057 0.000 1.198 327 D HN -0.166 nan 8.370 nan 0.000 0.514 328 P HA -0.176 nan 4.420 nan 0.000 0.213 328 P C 1.358 178.287 177.300 -0.619 0.000 1.170 328 P CA 1.203 63.761 63.100 -0.903 0.000 0.902 328 P CB 0.180 30.921 31.700 -1.599 0.000 0.789 329 E N -0.327 119.622 120.200 -0.419 0.000 2.209 329 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 329 E C 2.189 178.671 176.600 -0.198 0.000 0.993 329 E CA 1.959 58.199 56.400 -0.267 0.000 0.819 329 E CB -1.710 27.885 29.700 -0.176 0.000 0.745 329 E HN 0.285 nan 8.360 nan 0.000 0.477 330 G N 1.290 109.985 108.800 -0.176 0.000 2.408 330 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 330 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 330 G C 1.626 176.458 174.900 -0.113 0.000 1.156 330 G CA 0.818 45.847 45.100 -0.119 0.000 0.793 330 G HN 0.269 nan 8.290 nan 0.000 0.535 331 M N 0.184 119.701 119.600 -0.139 0.000 2.086 331 M HA 0.020 4.500 4.480 -0.000 0.000 0.261 331 M C 2.418 178.671 176.300 -0.078 0.000 1.067 331 M CA 1.466 56.714 55.300 -0.086 0.000 1.116 331 M CB -0.227 32.324 32.600 -0.083 0.000 1.348 331 M HN 0.218 nan 8.290 nan 0.000 0.407 332 I N -0.305 120.178 120.570 -0.144 0.000 2.226 332 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 332 I C 2.623 178.687 176.117 -0.089 0.000 1.100 332 I CA 1.380 62.624 61.300 -0.092 0.000 1.374 332 I CB -0.640 37.272 38.000 -0.146 0.000 1.057 332 I HN 0.402 nan 8.210 nan 0.000 0.413 333 R N 1.582 122.019 120.500 -0.105 0.000 2.080 333 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 333 R C 2.423 178.673 176.300 -0.083 0.000 1.137 333 R CA 1.721 57.764 56.100 -0.094 0.000 0.943 333 R CB -0.181 30.064 30.300 -0.090 0.000 0.846 333 R HN 0.260 nan 8.270 nan 0.000 0.431 334 R N 0.146 120.602 120.500 -0.074 0.000 2.189 334 R HA -0.050 4.290 4.340 -0.000 0.000 0.223 334 R C 2.289 178.543 176.300 -0.076 0.000 1.092 334 R CA 1.117 57.175 56.100 -0.069 0.000 0.989 334 R CB -0.179 30.086 30.300 -0.058 0.000 0.876 334 R HN 0.325 nan 8.270 nan 0.000 0.457 335 L N 0.547 121.725 121.223 -0.074 0.000 2.131 335 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 335 L C 2.022 178.830 176.870 -0.103 0.000 1.087 335 L CA 1.233 56.019 54.840 -0.090 0.000 0.767 335 L CB -0.205 41.819 42.059 -0.059 0.000 0.917 335 L HN 0.078 nan 8.230 nan 0.000 0.441 336 K N 0.336 120.674 120.400 -0.103 0.000 2.296 336 K HA 0.023 4.343 4.320 -0.000 0.000 0.200 336 K C 2.019 178.551 176.600 -0.115 0.000 1.048 336 K CA 0.917 57.129 56.287 -0.126 0.000 0.966 336 K CB -0.074 32.344 32.500 -0.137 0.000 0.754 336 K HN 0.207 nan 8.250 nan 0.000 0.466 337 A N 1.724 124.485 122.820 -0.098 0.000 2.172 337 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 337 A C 1.355 178.887 177.584 -0.087 0.000 1.154 337 A CA 1.038 53.023 52.037 -0.087 0.000 0.701 337 A CB -0.095 18.859 19.000 -0.077 0.000 0.789 337 A HN 0.152 nan 8.150 nan 0.000 0.465 338 K N -0.728 119.615 120.400 -0.096 0.000 2.493 338 K HA 0.284 4.604 4.320 -0.000 0.000 0.207 338 K C 0.702 177.240 176.600 -0.102 0.000 1.033 338 K CA 0.302 56.532 56.287 -0.095 0.000 1.161 338 K CB 0.007 32.446 32.500 -0.102 0.000 0.873 338 K HN 0.503 nan 8.250 nan 0.000 0.491 339 G N 1.900 110.636 108.800 -0.106 0.000 2.273 339 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 339 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 339 G C -0.171 174.649 174.900 -0.134 0.000 1.047 339 G CA 0.084 45.118 45.100 -0.111 0.000 0.869 339 G HN 0.235 nan 8.290 nan 0.000 0.502 340 L N -0.587 120.543 121.223 -0.155 0.000 2.331 340 L HA 0.608 4.948 4.340 -0.000 0.000 0.275 340 L C 0.362 177.078 176.870 -0.257 0.000 1.022 340 L CA -1.158 53.577 54.840 -0.175 0.000 0.812 340 L CB 1.471 43.448 42.059 -0.136 0.000 1.257 340 L HN -0.108 nan 8.230 nan 0.000 0.435 341 K N 2.369 122.566 120.400 -0.337 0.000 2.138 341 K HA 0.585 4.905 4.320 -0.000 0.000 0.263 341 K C -0.976 175.406 176.600 -0.363 0.000 0.965 341 K CA -0.641 55.326 56.287 -0.533 0.000 0.868 341 K CB 2.024 33.968 32.500 -0.927 0.000 1.083 341 K HN 0.266 nan 8.250 nan 0.000 0.443 342 I N 1.181 121.564 120.570 -0.313 0.000 2.433 342 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 342 I C -0.326 175.685 176.117 -0.176 0.000 1.001 342 I CA -0.502 60.702 61.300 -0.159 0.000 1.119 342 I CB 1.689 39.679 38.000 -0.017 0.000 1.289 342 I HN 0.461 nan 8.210 nan 0.000 0.438 343 C N 7.274 126.505 119.300 -0.115 0.000 2.507 343 C HA 0.910 5.370 4.460 -0.000 0.000 0.319 343 C C -0.503 174.500 174.990 0.022 0.000 1.208 343 C CA -0.405 58.596 59.018 -0.029 0.000 1.619 343 C CB 0.763 28.578 27.740 0.125 0.000 2.230 343 C HN 0.705 nan 8.230 nan 0.000 0.492 344 V N 3.138 123.068 119.914 0.026 0.000 2.823 344 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 344 V C -0.661 175.639 176.094 0.343 0.000 1.072 344 V CA -0.865 61.402 62.300 -0.056 0.000 0.937 344 V CB 1.392 32.931 31.823 -0.474 0.000 1.013 344 V HN 1.107 nan 8.190 nan 0.000 0.430 345 W N 5.916 127.364 121.300 0.246 0.000 2.170 345 W HA 0.678 5.338 4.660 -0.000 0.000 0.336 345 W C -0.204 176.627 176.519 0.520 0.000 1.283 345 W CA 0.327 57.939 57.345 0.444 0.000 1.224 345 W CB 0.713 30.388 29.460 0.359 0.000 1.132 345 W HN 0.917 nan 8.180 nan 0.000 0.571 346 I N 3.035 123.382 120.570 -0.372 0.000 3.149 346 I HA 0.574 4.744 4.170 -0.000 0.000 0.310 346 I C -1.375 174.163 176.117 -0.965 0.000 1.343 346 I CA -1.178 59.868 61.300 -0.423 0.000 0.955 346 I CB 2.055 40.117 38.000 0.104 0.000 1.309 346 I HN 0.733 nan 8.210 nan 0.000 0.478 347 N N 1.508 119.931 118.700 -0.462 0.000 2.927 347 N HA 0.509 5.249 4.740 -0.000 0.000 0.248 347 N C -2.801 172.661 175.510 -0.079 0.000 1.443 347 N CA -1.450 51.438 53.050 -0.269 0.000 0.870 347 N CB 2.553 40.809 38.487 -0.385 0.000 1.444 347 N HN 0.429 nan 8.380 nan 0.000 0.519 348 P HA 0.182 nan 4.420 nan 0.000 0.256 348 P C -1.053 176.405 177.300 0.262 0.000 1.384 348 P CA 0.376 63.349 63.100 -0.211 0.000 0.879 348 P CB -0.256 31.142 31.700 -0.503 0.000 1.403 349 Y N 0.097 120.601 120.300 0.339 0.000 2.650 349 Y HA 0.639 5.189 4.550 -0.000 0.000 0.331 349 Y C 0.482 176.570 175.900 0.314 0.000 1.082 349 Y CA -2.564 55.704 58.100 0.280 0.000 1.171 349 Y CB 1.117 39.767 38.460 0.317 0.000 1.326 349 Y HN -0.264 nan 8.280 nan 0.000 0.513 350 I N 0.649 121.438 120.570 0.365 0.000 2.627 350 I HA 0.592 4.762 4.170 -0.000 0.000 0.288 350 I C -0.267 176.052 176.117 0.338 0.000 1.202 350 I CA -0.497 60.977 61.300 0.289 0.000 1.050 350 I CB 1.337 39.373 38.000 0.061 0.000 1.264 350 I HN 0.741 nan 8.210 nan 0.000 0.429 351 G N 4.642 113.605 108.800 0.272 0.000 2.441 351 G HA2 0.069 4.029 3.960 -0.000 0.000 0.243 351 G HA3 0.069 4.029 3.960 -0.000 0.000 0.243 351 G C 0.345 175.301 174.900 0.093 0.000 1.281 351 G CA -0.169 45.020 45.100 0.149 0.000 0.854 351 G HN 0.871 nan 8.290 nan 0.000 0.560 352 Q N 1.146 120.815 119.800 -0.218 0.000 2.234 352 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 352 Q C 2.185 177.919 176.000 -0.442 0.000 0.980 352 Q CA 1.506 56.804 55.803 -0.843 0.000 0.869 352 Q CB -0.062 28.146 28.738 -0.885 0.000 0.912 352 Q HN 0.695 nan 8.270 nan 0.000 0.436 353 K N 0.325 120.592 120.400 -0.221 0.000 2.515 353 K HA -0.047 4.273 4.320 -0.000 0.000 0.196 353 K C 0.212 176.790 176.600 -0.035 0.000 1.038 353 K CA 0.430 56.638 56.287 -0.133 0.000 0.967 353 K CB 0.041 32.481 32.500 -0.100 0.000 0.780 353 K HN 0.018 nan 8.250 nan 0.000 0.483 354 S N 0.716 116.436 115.700 0.033 0.000 2.545 354 S HA 0.200 4.670 4.470 -0.000 0.000 0.275 354 S C -1.949 172.739 174.600 0.148 0.000 1.299 354 S CA -1.687 56.579 58.200 0.110 0.000 1.048 354 S CB 1.268 64.570 63.200 0.170 0.000 0.938 354 S HN 0.006 nan 8.310 nan 0.000 0.496 355 P HA -0.091 nan 4.420 nan 0.000 0.219 355 P C 1.331 178.735 177.300 0.172 0.000 1.146 355 P CA 0.644 63.824 63.100 0.133 0.000 0.808 355 P CB 0.072 31.847 31.700 0.125 0.000 0.779 356 V N -1.340 118.704 119.914 0.217 0.000 2.515 356 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 356 V C 2.048 178.224 176.094 0.137 0.000 1.058 356 V CA 1.318 63.759 62.300 0.234 0.000 1.064 356 V CB -1.244 30.803 31.823 0.372 0.000 0.675 356 V HN 0.033 nan 8.190 nan 0.000 0.461 357 F N 1.568 121.530 119.950 0.019 0.000 2.063 357 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 357 F C 2.507 178.265 175.800 -0.069 0.000 1.109 357 F CA 2.557 60.531 58.000 -0.043 0.000 1.212 357 F CB -0.276 38.704 39.000 -0.032 0.000 0.973 357 F HN 0.038 nan 8.300 nan 0.000 0.480 358 K N 0.286 120.848 120.400 0.270 0.000 2.063 358 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 358 K C 2.278 178.865 176.600 -0.021 0.000 1.048 358 K CA 1.848 58.219 56.287 0.140 0.000 0.928 358 K CB -0.465 32.106 32.500 0.118 0.000 0.713 358 K HN 0.530 nan 8.250 nan 0.000 0.442 359 E N 0.685 120.867 120.200 -0.030 0.000 2.051 359 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 359 E C 2.078 178.513 176.600 -0.275 0.000 0.991 359 E CA 1.230 57.572 56.400 -0.097 0.000 0.799 359 E CB -0.102 29.593 29.700 -0.007 0.000 0.748 359 E HN 0.364 nan 8.360 nan 0.000 0.449 360 L N 0.695 121.702 121.223 -0.359 0.000 2.046 360 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 360 L C 2.998 179.595 176.870 -0.455 0.000 1.077 360 L CA 1.682 56.216 54.840 -0.509 0.000 0.747 360 L CB -0.571 41.166 42.059 -0.537 0.000 0.896 360 L HN 0.312 nan 8.230 nan 0.000 0.432 361 Q N 0.589 120.142 119.800 -0.411 0.000 2.084 361 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 361 Q C 1.969 177.841 176.000 -0.214 0.000 0.978 361 Q CA 1.823 57.442 55.803 -0.307 0.000 0.844 361 Q CB 0.000 28.613 28.738 -0.209 0.000 0.898 361 Q HN 0.521 nan 8.270 nan 0.000 0.426 362 E N 0.210 120.293 120.200 -0.194 0.000 2.106 362 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 362 E C 1.916 178.383 176.600 -0.223 0.000 0.984 362 E CA 1.041 57.347 56.400 -0.156 0.000 0.806 362 E CB 0.098 29.731 29.700 -0.113 0.000 0.750 362 E HN 0.294 nan 8.360 nan 0.000 0.458 363 K N -0.594 119.566 120.400 -0.400 0.000 2.296 363 K HA 0.010 4.330 4.320 -0.000 0.000 0.200 363 K C 0.916 177.219 176.600 -0.495 0.000 1.048 363 K CA 0.562 56.481 56.287 -0.614 0.000 0.966 363 K CB 0.411 32.133 32.500 -1.296 0.000 0.754 363 K HN 0.234 nan 8.250 nan 0.000 0.466 364 G N 0.738 109.339 108.800 -0.331 0.000 2.171 364 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.238 364 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.238 364 G C 0.039 174.999 174.900 0.100 0.000 1.039 364 G CA -0.123 44.927 45.100 -0.083 0.000 0.759 364 G HN 0.216 nan 8.290 nan 0.000 0.501 365 Y N -0.491 119.727 120.300 -0.137 0.000 2.466 365 Y HA 0.435 4.985 4.550 -0.000 0.000 0.272 365 Y C 1.762 177.577 175.900 -0.142 0.000 1.169 365 Y CA -0.595 57.431 58.100 -0.123 0.000 1.285 365 Y CB 0.035 38.397 38.460 -0.163 0.000 1.078 365 Y HN 0.353 nan 8.280 nan 0.000 0.523 366 L N -0.007 121.179 121.223 -0.063 0.000 2.352 366 L HA 0.345 4.684 4.340 -0.000 0.000 0.269 366 L C -0.321 176.475 176.870 -0.123 0.000 1.034 366 L CA -1.401 53.337 54.840 -0.169 0.000 0.806 366 L CB 1.151 43.023 42.059 -0.311 0.000 1.244 366 L HN -0.185 nan 8.230 nan 0.000 0.447 367 L N 2.356 123.469 121.223 -0.182 0.000 2.462 367 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 367 L C -0.222 176.540 176.870 -0.181 0.000 1.166 367 L CA 0.607 55.273 54.840 -0.290 0.000 0.880 367 L CB -0.120 41.628 42.059 -0.518 0.000 1.142 367 L HN 0.446 nan 8.230 nan 0.000 0.473 368 K N 5.090 125.385 120.400 -0.176 0.000 2.156 368 K HA 0.531 4.851 4.320 -0.000 0.000 0.250 368 K C -0.218 176.331 176.600 -0.086 0.000 0.955 368 K CA -0.851 55.385 56.287 -0.086 0.000 0.855 368 K CB 1.590 34.059 32.500 -0.052 0.000 1.101 368 K HN 0.558 nan 8.250 nan 0.000 0.434 369 R N 1.146 121.638 120.500 -0.013 0.000 2.652 369 R HA 0.087 4.427 4.340 -0.000 0.000 0.271 369 R C -1.677 174.614 176.300 -0.016 0.000 1.129 369 R CA -1.631 54.475 56.100 0.010 0.000 1.200 369 R CB -0.062 30.258 30.300 0.033 0.000 1.146 369 R HN 0.346 nan 8.270 nan 0.000 0.581 370 P HA -0.164 nan 4.420 nan 0.000 0.218 370 P C 0.197 177.494 177.300 -0.005 0.000 1.148 370 P CA 1.303 64.400 63.100 -0.005 0.000 0.822 370 P CB 0.073 31.777 31.700 0.007 0.000 0.784 371 D N -1.949 118.448 120.400 -0.004 0.000 2.363 371 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 371 D C 1.504 177.799 176.300 -0.009 0.000 0.994 371 D CA 1.054 55.051 54.000 -0.006 0.000 0.890 371 D CB -0.867 39.929 40.800 -0.006 0.000 0.906 371 D HN 0.247 nan 8.370 nan 0.000 0.530 372 G N -0.361 108.432 108.800 -0.011 0.000 2.218 372 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 372 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 372 G C 0.476 175.367 174.900 -0.014 0.000 0.994 372 G CA 0.252 45.345 45.100 -0.012 0.000 0.637 372 G HN 0.782 nan 8.290 nan 0.000 0.505 373 S N 0.401 116.092 115.700 -0.016 0.000 2.634 373 S HA 0.735 5.205 4.470 -0.000 0.000 0.261 373 S C 0.546 175.135 174.600 -0.018 0.000 1.271 373 S CA -0.665 57.524 58.200 -0.018 0.000 0.985 373 S CB 1.319 64.504 63.200 -0.025 0.000 0.968 373 S HN 0.637 nan 8.310 nan 0.000 0.568 374 L N 0.538 121.752 121.223 -0.015 0.000 2.371 374 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 374 L C -0.052 176.818 176.870 -0.000 0.000 1.124 374 L CA -0.708 54.129 54.840 -0.005 0.000 0.816 374 L CB 0.451 42.517 42.059 0.013 0.000 1.129 374 L HN 0.818 nan 8.230 nan 0.000 0.448 375 W N 3.829 125.041 121.300 -0.147 0.000 2.238 375 W HA 0.311 4.971 4.660 -0.000 0.000 0.321 375 W C -0.365 176.070 176.519 -0.140 0.000 1.293 375 W CA 0.109 57.349 57.345 -0.175 0.000 1.204 375 W CB 0.572 29.867 29.460 -0.274 0.000 1.167 375 W HN 0.441 nan 8.180 nan 0.000 0.553 376 Q N 5.000 124.242 119.800 -0.931 0.000 2.522 376 Q HA 0.365 4.705 4.340 -0.000 0.000 0.285 376 Q C -1.241 174.297 176.000 -0.769 0.000 0.982 376 Q CA -0.859 54.566 55.803 -0.630 0.000 0.805 376 Q CB 2.616 31.231 28.738 -0.204 0.000 1.457 376 Q HN 0.568 nan 8.270 nan 0.000 0.394 377 W N 0.375 121.358 121.300 -0.528 0.000 2.937 377 W HA 0.442 5.102 4.660 -0.000 0.000 0.360 377 W C -1.448 174.994 176.519 -0.128 0.000 1.215 377 W CA -0.887 56.257 57.345 -0.335 0.000 1.183 377 W CB -0.079 29.192 29.460 -0.315 0.000 1.458 377 W HN 0.517 nan 8.180 nan 0.000 0.574 378 D N 0.992 121.380 120.400 -0.021 0.000 2.525 378 D HA 0.143 4.783 4.640 -0.000 0.000 0.229 378 D C -0.394 175.761 176.300 -0.241 0.000 1.202 378 D CA -0.001 53.934 54.000 -0.109 0.000 0.828 378 D CB 0.550 41.292 40.800 -0.097 0.000 1.008 378 D HN 0.136 nan 8.370 nan 0.000 0.493 379 K N 0.216 120.249 120.400 -0.612 0.000 2.172 379 K HA 0.126 4.446 4.320 -0.000 0.000 0.276 379 K C 0.508 177.116 176.600 0.013 0.000 1.013 379 K CA -0.604 55.383 56.287 -0.500 0.000 0.913 379 K CB 1.973 33.794 32.500 -1.132 0.000 1.055 379 K HN 0.127 nan 8.250 nan 0.000 0.461 380 W N 0.967 122.257 121.300 -0.017 0.000 0.426 380 W HA -0.351 4.309 4.660 -0.000 0.000 0.214 380 W C -0.899 175.703 176.519 0.137 0.000 0.914 380 W CA 1.350 58.780 57.345 0.141 0.000 0.347 380 W CB -0.459 29.088 29.460 0.145 0.000 1.904 380 W HN 0.535 nan 8.180 nan 0.000 1.103 381 Q N 0.909 120.699 119.800 -0.016 0.000 2.423 381 Q HA 0.410 4.750 4.340 -0.000 0.000 0.278 381 Q C -2.230 173.763 176.000 -0.012 0.000 1.097 381 Q CA -1.631 54.100 55.803 -0.121 0.000 0.809 381 Q CB 1.921 30.629 28.738 -0.050 0.000 1.391 381 Q HN -0.038 nan 8.270 nan 0.000 0.428 382 P HA 0.035 nan 4.420 nan 0.000 0.276 382 P C 0.416 177.659 177.300 -0.095 0.000 1.235 382 P CA 0.573 63.605 63.100 -0.114 0.000 0.772 382 P CB 0.427 31.979 31.700 -0.247 0.000 0.871 383 G N 2.977 111.737 108.800 -0.068 0.000 2.283 383 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.280 383 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.280 383 G C 0.064 175.001 174.900 0.061 0.000 1.029 383 G CA 0.056 45.115 45.100 -0.069 0.000 0.840 383 G HN 0.664 nan 8.290 nan 0.000 0.505 384 L N 0.130 121.463 121.223 0.183 0.000 2.559 384 L HA 0.497 4.837 4.340 -0.000 0.000 0.274 384 L C 0.796 177.864 176.870 0.330 0.000 1.205 384 L CA 0.341 55.368 54.840 0.312 0.000 0.907 384 L CB 0.338 42.644 42.059 0.411 0.000 1.153 384 L HN 0.519 nan 8.230 nan 0.000 0.490 385 A N 6.479 129.494 122.820 0.326 0.000 2.282 385 A HA 0.788 5.108 4.320 -0.000 0.000 0.324 385 A C -0.643 176.986 177.584 0.075 0.000 1.119 385 A CA -0.734 51.414 52.037 0.185 0.000 0.880 385 A CB 1.021 20.037 19.000 0.027 0.000 1.294 385 A HN 0.732 nan 8.150 nan 0.000 0.493 386 I N 0.332 120.880 120.570 -0.038 0.000 2.436 386 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 386 I C -1.220 174.798 176.117 -0.165 0.000 1.010 386 I CA -0.425 60.840 61.300 -0.058 0.000 1.098 386 I CB 1.536 39.419 38.000 -0.195 0.000 1.266 386 I HN 0.625 nan 8.210 nan 0.000 0.434 387 Y N 3.750 123.956 120.300 -0.156 0.000 2.620 387 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 387 Y C 0.875 176.546 175.900 -0.383 0.000 1.186 387 Y CA 0.256 58.140 58.100 -0.360 0.000 1.467 387 Y CB 0.224 38.255 38.460 -0.715 0.000 1.262 387 Y HN 0.442 nan 8.280 nan 0.000 0.550 388 D N 4.522 124.905 120.400 -0.029 0.000 2.494 388 D HA 0.041 4.681 4.640 -0.000 0.000 0.217 388 D C 0.248 176.687 176.300 0.232 0.000 1.153 388 D CA 0.046 54.157 54.000 0.184 0.000 0.954 388 D CB -0.341 40.559 40.800 0.167 0.000 1.034 388 D HN 0.574 nan 8.370 nan 0.000 0.518 389 F N 0.753 120.909 119.950 0.343 0.000 2.722 389 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 389 F C 2.432 178.278 175.800 0.077 0.000 1.175 389 F CA 0.587 58.635 58.000 0.080 0.000 1.462 389 F CB 0.165 39.084 39.000 -0.136 0.000 1.111 389 F HN 0.313 nan 8.300 nan 0.000 0.592 390 T N -3.319 111.461 114.554 0.375 0.000 3.129 390 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 390 T C 0.589 175.421 174.700 0.220 0.000 1.117 390 T CA -0.125 62.156 62.100 0.301 0.000 1.034 390 T CB -0.376 68.731 68.868 0.399 0.000 0.968 390 T HN -0.016 nan 8.240 nan 0.000 0.526 391 N N 2.174 120.891 118.700 0.028 0.000 2.457 391 N HA 0.311 5.051 4.740 -0.000 0.000 0.250 391 N C -2.169 173.158 175.510 -0.305 0.000 0.982 391 N CA -2.400 50.358 53.050 -0.486 0.000 0.941 391 N CB 2.000 40.158 38.487 -0.549 0.000 1.120 391 N HN -0.070 nan 8.380 nan 0.000 0.505 392 P HA -0.148 nan 4.420 nan 0.000 0.216 392 P C 0.377 177.587 177.300 -0.151 0.000 1.167 392 P CA 1.446 64.472 63.100 -0.124 0.000 0.914 392 P CB 0.358 32.024 31.700 -0.057 0.000 0.793 393 D N -1.191 119.082 120.400 -0.212 0.000 2.182 393 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 393 D C 1.950 177.925 176.300 -0.543 0.000 0.986 393 D CA 1.479 55.345 54.000 -0.224 0.000 0.847 393 D CB -0.847 39.916 40.800 -0.062 0.000 0.942 393 D HN 0.123 nan 8.370 nan 0.000 0.467 394 A N -0.067 122.332 122.820 -0.701 0.000 1.929 394 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 394 A C 2.391 179.951 177.584 -0.040 0.000 1.176 394 A CA 0.954 52.584 52.037 -0.678 0.000 0.628 394 A CB -0.807 17.989 19.000 -0.339 0.000 0.816 394 A HN 0.350 nan 8.150 nan 0.000 0.444 395 C N -0.616 118.694 119.300 0.018 0.000 2.432 395 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 395 C C 2.677 177.712 174.990 0.075 0.000 1.249 395 C CA 1.356 60.431 59.018 0.095 0.000 1.725 395 C CB -0.971 26.764 27.740 -0.008 0.000 2.028 395 C HN 0.714 nan 8.230 nan 0.000 0.477 396 K N -0.751 119.659 120.400 0.017 0.000 2.063 396 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 396 K C 1.983 178.622 176.600 0.064 0.000 1.048 396 K CA 1.873 58.172 56.287 0.020 0.000 0.928 396 K CB -0.316 32.192 32.500 0.013 0.000 0.713 396 K HN 0.697 nan 8.250 nan 0.000 0.442 397 W N 0.355 121.626 121.300 -0.048 0.000 2.355 397 W HA -0.264 4.396 4.660 -0.000 0.000 0.309 397 W C 1.965 178.517 176.519 0.055 0.000 1.206 397 W CA 1.801 59.171 57.345 0.042 0.000 1.284 397 W CB -0.485 29.039 29.460 0.107 0.000 1.145 397 W HN 0.160 nan 8.180 nan 0.000 0.502 398 Y N 0.824 121.268 120.300 0.241 0.000 2.114 398 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 398 Y C 2.456 178.176 175.900 -0.300 0.000 1.143 398 Y CA 2.911 61.028 58.100 0.029 0.000 1.135 398 Y CB -1.039 37.519 38.460 0.162 0.000 0.980 398 Y HN -0.010 nan 8.280 nan 0.000 0.499 399 A N 0.058 122.860 122.820 -0.030 0.000 1.908 399 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 399 A C 1.938 179.346 177.584 -0.293 0.000 1.181 399 A CA 2.132 54.066 52.037 -0.171 0.000 0.627 399 A CB -0.869 18.072 19.000 -0.098 0.000 0.818 399 A HN 0.559 nan 8.150 nan 0.000 0.445 400 D N -0.313 119.912 120.400 -0.293 0.000 2.178 400 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 400 D C 1.817 177.849 176.300 -0.446 0.000 0.980 400 D CA 0.971 54.782 54.000 -0.314 0.000 0.842 400 D CB -0.139 40.495 40.800 -0.278 0.000 0.948 400 D HN 0.279 nan 8.370 nan 0.000 0.472 401 K N 0.492 120.464 120.400 -0.712 0.000 2.103 401 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 401 K C 2.364 178.490 176.600 -0.790 0.000 1.052 401 K CA 0.173 55.940 56.287 -0.866 0.000 0.945 401 K CB -0.327 31.294 32.500 -1.464 0.000 0.722 401 K HN 0.258 nan 8.250 nan 0.000 0.443 402 L N 0.901 121.630 121.223 -0.824 0.000 2.027 402 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 402 L C 2.382 179.139 176.870 -0.189 0.000 1.074 402 L CA 1.340 55.833 54.840 -0.578 0.000 0.745 402 L CB -0.389 41.280 42.059 -0.651 0.000 0.898 402 L HN 0.135 nan 8.230 nan 0.000 0.433 403 K N 0.100 120.381 120.400 -0.198 0.000 2.103 403 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 403 K C 2.106 178.659 176.600 -0.079 0.000 1.048 403 K CA 1.365 57.591 56.287 -0.102 0.000 0.930 403 K CB -0.515 31.915 32.500 -0.117 0.000 0.716 403 K HN 0.426 nan 8.250 nan 0.000 0.444 404 G N 1.352 110.078 108.800 -0.123 0.000 2.422 404 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 404 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 404 G C 1.473 176.372 174.900 -0.002 0.000 1.146 404 G CA 0.522 45.581 45.100 -0.069 0.000 0.769 404 G HN 0.107 nan 8.290 nan 0.000 0.547 405 L N 0.034 121.271 121.223 0.025 0.000 2.109 405 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 405 L C 2.975 179.876 176.870 0.052 0.000 1.086 405 L CA 0.229 55.133 54.840 0.107 0.000 0.760 405 L CB -0.348 41.830 42.059 0.197 0.000 0.910 405 L HN 0.082 nan 8.230 nan 0.000 0.437 406 V N 0.291 120.236 119.914 0.052 0.000 2.261 406 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 406 V C 2.669 178.733 176.094 -0.050 0.000 1.047 406 V CA 1.865 64.152 62.300 -0.022 0.000 1.015 406 V CB -0.870 30.951 31.823 -0.003 0.000 0.642 406 V HN 0.493 nan 8.190 nan 0.000 0.446 407 A N -1.058 121.739 122.820 -0.039 0.000 2.186 407 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 407 A C 2.132 179.684 177.584 -0.053 0.000 1.159 407 A CA 2.048 54.056 52.037 -0.047 0.000 0.680 407 A CB -0.562 18.413 19.000 -0.042 0.000 0.787 407 A HN 0.582 nan 8.150 nan 0.000 0.467 408 M N -2.221 117.350 119.600 -0.049 0.000 2.441 408 M HA 0.277 4.757 4.480 -0.000 0.000 0.244 408 M C 1.126 177.368 176.300 -0.096 0.000 1.122 408 M CA 1.111 56.370 55.300 -0.067 0.000 1.041 408 M CB 0.569 33.146 32.600 -0.039 0.000 1.438 408 M HN 0.528 nan 8.290 nan 0.000 0.484 409 G N 0.218 108.959 108.800 -0.098 0.000 2.296 409 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.188 409 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.188 409 G C -0.130 174.683 174.900 -0.146 0.000 1.000 409 G CA -0.090 44.936 45.100 -0.123 0.000 0.672 409 G HN 0.255 nan 8.290 nan 0.000 0.483 410 V N 1.982 121.811 119.914 -0.142 0.000 2.655 410 V HA 0.265 4.385 4.120 -0.000 0.000 0.300 410 V C 0.960 176.874 176.094 -0.300 0.000 1.044 410 V CA 0.996 63.166 62.300 -0.217 0.000 1.095 410 V CB 1.406 33.086 31.823 -0.238 0.000 0.952 410 V HN 0.325 nan 8.190 nan 0.000 0.485 411 D N 1.605 121.808 120.400 -0.328 0.000 2.422 411 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 411 D C 0.375 176.517 176.300 -0.263 0.000 1.047 411 D CA 0.703 54.538 54.000 -0.274 0.000 0.885 411 D CB 0.889 41.499 40.800 -0.315 0.000 1.035 411 D HN 0.747 nan 8.370 nan 0.000 0.502 412 C N -1.078 117.997 119.300 -0.376 0.000 3.323 412 C HA 0.798 5.258 4.460 -0.000 0.000 0.324 412 C C -1.194 173.469 174.990 -0.546 0.000 1.428 412 C CA -1.316 57.505 59.018 -0.327 0.000 1.368 412 C CB 0.826 28.646 27.740 0.133 0.000 1.731 412 C HN -0.032 nan 8.230 nan 0.000 0.455 413 F N 0.271 120.286 119.950 0.108 0.000 2.576 413 F HA 0.612 5.139 4.527 -0.000 0.000 0.313 413 F C 0.131 175.975 175.800 0.073 0.000 1.078 413 F CA -0.692 57.358 58.000 0.085 0.000 0.921 413 F CB 1.760 40.783 39.000 0.037 0.000 1.232 413 F HN 0.708 nan 8.300 nan 0.000 0.459 414 K N 1.896 122.451 120.400 0.259 0.000 2.300 414 K HA 0.217 4.537 4.320 -0.000 0.000 0.264 414 K C -0.345 176.220 176.600 -0.058 0.000 1.083 414 K CA -0.354 55.968 56.287 0.059 0.000 0.958 414 K CB 0.497 32.963 32.500 -0.055 0.000 1.318 414 K HN 0.761 nan 8.250 nan 0.000 0.448 415 T N 1.058 115.563 114.554 -0.083 0.000 3.474 415 T HA 0.038 4.388 4.350 -0.000 0.000 0.270 415 T C 0.150 174.794 174.700 -0.093 0.000 1.079 415 T CA -0.729 61.276 62.100 -0.158 0.000 1.110 415 T CB -0.014 68.548 68.868 -0.511 0.000 1.087 415 T HN 0.398 nan 8.240 nan 0.000 0.784 416 D N 1.508 121.805 120.400 -0.172 0.000 2.360 416 D HA 0.387 5.027 4.640 -0.000 0.000 0.242 416 D C 0.680 177.046 176.300 0.111 0.000 1.184 416 D CA -0.685 53.249 54.000 -0.111 0.000 0.930 416 D CB 0.100 40.837 40.800 -0.105 0.000 1.161 416 D HN 0.458 nan 8.370 nan 0.000 0.447 417 F N -0.397 119.521 119.950 -0.053 0.000 2.044 417 F HA -0.171 4.356 4.527 -0.000 0.000 0.285 417 F C 1.788 177.658 175.800 0.118 0.000 0.130 417 F CA 1.344 59.336 58.000 -0.014 0.000 0.824 417 F CB -1.394 37.482 39.000 -0.206 0.000 3.705 417 F HN 0.568 nan 8.300 nan 0.000 0.324 418 G N -1.221 107.800 108.800 0.369 0.000 2.192 418 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.193 418 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.193 418 G C 0.681 175.782 174.900 0.335 0.000 0.999 418 G CA 0.529 45.861 45.100 0.387 0.000 0.659 418 G HN 0.990 nan 8.290 nan 0.000 0.503 419 E N 0.871 121.258 120.200 0.311 0.000 2.075 419 E HA 0.068 4.418 4.350 -0.000 0.000 0.190 419 E C 1.342 177.976 176.600 0.056 0.000 0.969 419 E CA -0.003 56.485 56.400 0.147 0.000 0.815 419 E CB -0.280 29.556 29.700 0.227 0.000 0.776 419 E HN 0.427 nan 8.360 nan 0.000 0.457 420 R N 1.631 122.288 120.500 0.262 0.000 3.641 420 R HA 0.161 4.501 4.340 -0.000 0.000 0.189 420 R C -0.351 175.933 176.300 -0.026 0.000 1.706 420 R CA -0.009 56.242 56.100 0.252 0.000 1.311 420 R CB -0.219 30.369 30.300 0.480 0.000 1.330 420 R HN 0.151 nan 8.270 nan 0.000 0.727 421 I N 4.465 124.977 120.570 -0.096 0.000 2.304 421 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 421 I C -1.678 174.380 176.117 -0.098 0.000 1.018 421 I CA -3.317 57.838 61.300 -0.241 0.000 1.260 421 I CB 0.846 38.683 38.000 -0.272 0.000 1.390 421 I HN 0.162 nan 8.210 nan 0.000 0.475 422 P HA 0.130 nan 4.420 nan 0.000 0.272 422 P C 0.533 177.750 177.300 -0.139 0.000 1.223 422 P CA 0.008 62.842 63.100 -0.444 0.000 0.784 422 P CB 0.955 31.928 31.700 -1.212 0.000 0.923 423 T N -2.895 111.682 114.554 0.037 0.000 3.037 423 T HA -0.014 4.336 4.350 -0.000 0.000 0.252 423 T C 0.575 175.323 174.700 0.080 0.000 1.073 423 T CA 0.173 62.359 62.100 0.142 0.000 1.091 423 T CB -0.671 68.327 68.868 0.217 0.000 0.935 423 T HN 0.409 nan 8.240 nan 0.000 0.488 424 D N 3.162 123.594 120.400 0.053 0.000 2.934 424 D HA 0.317 4.957 4.640 -0.000 0.000 0.237 424 D C 0.412 176.732 176.300 0.033 0.000 1.158 424 D CA -0.577 53.466 54.000 0.071 0.000 0.971 424 D CB -0.350 40.524 40.800 0.123 0.000 1.123 424 D HN 0.514 nan 8.370 nan 0.000 0.467 425 V N -3.089 116.796 119.914 -0.049 0.000 3.165 425 V HA 0.626 4.746 4.120 -0.000 0.000 0.309 425 V C -1.229 174.774 176.094 -0.153 0.000 1.267 425 V CA -1.293 60.907 62.300 -0.167 0.000 1.067 425 V CB 1.848 33.389 31.823 -0.471 0.000 1.082 425 V HN 0.191 nan 8.190 nan 0.000 0.451 426 Q N 0.246 119.913 119.800 -0.222 0.000 2.303 426 Q HA 0.429 4.769 4.340 -0.000 0.000 0.267 426 Q C -1.920 173.976 176.000 -0.173 0.000 1.011 426 Q CA -0.466 55.275 55.803 -0.103 0.000 0.740 426 Q CB 1.568 30.285 28.738 -0.036 0.000 1.250 426 Q HN 0.793 nan 8.270 nan 0.000 0.458 427 W N 3.200 124.537 121.300 0.062 0.000 2.202 427 W HA 0.154 4.814 4.660 -0.000 0.000 0.332 427 W C 1.106 177.711 176.519 0.142 0.000 1.263 427 W CA -0.485 56.928 57.345 0.112 0.000 1.223 427 W CB 0.372 29.907 29.460 0.124 0.000 1.128 427 W HN 0.747 nan 8.180 nan 0.000 0.573 428 F N 2.481 122.600 119.950 0.282 0.000 2.154 428 F HA -0.336 4.191 4.527 -0.000 0.000 0.301 428 F C 2.120 178.034 175.800 0.190 0.000 1.087 428 F CA 2.296 60.412 58.000 0.194 0.000 1.274 428 F CB 0.017 39.133 39.000 0.193 0.000 1.009 428 F HN 0.378 nan 8.300 nan 0.000 0.485 429 D N -0.782 119.864 120.400 0.411 0.000 2.328 429 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 429 D C 1.570 177.959 176.300 0.148 0.000 1.072 429 D CA 0.722 54.870 54.000 0.247 0.000 0.850 429 D CB -0.620 40.361 40.800 0.303 0.000 0.922 429 D HN 0.388 nan 8.370 nan 0.000 0.516 430 G N 0.279 109.180 108.800 0.169 0.000 2.221 430 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.265 430 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.265 430 G C 0.172 175.162 174.900 0.149 0.000 1.041 430 G CA 0.383 45.565 45.100 0.138 0.000 0.807 430 G HN 0.412 nan 8.290 nan 0.000 0.502 431 S N -0.117 115.696 115.700 0.188 0.000 2.585 431 S HA 0.370 4.840 4.470 -0.000 0.000 0.273 431 S C 0.393 175.070 174.600 0.127 0.000 1.339 431 S CA -0.208 58.039 58.200 0.078 0.000 1.028 431 S CB 1.304 64.465 63.200 -0.065 0.000 0.906 431 S HN 0.474 nan 8.310 nan 0.000 0.528 432 D N 1.707 122.143 120.400 0.061 0.000 2.401 432 D HA 0.118 4.758 4.640 -0.000 0.000 0.254 432 D C -1.711 174.676 176.300 0.145 0.000 1.192 432 D CA -1.844 52.218 54.000 0.103 0.000 0.885 432 D CB 0.958 41.798 40.800 0.066 0.000 1.147 432 D HN 0.053 nan 8.370 nan 0.000 0.478 433 P HA -0.153 nan 4.420 nan 0.000 0.216 433 P C 1.242 178.725 177.300 0.305 0.000 1.150 433 P CA 1.018 64.339 63.100 0.368 0.000 0.837 433 P CB 0.285 32.182 31.700 0.328 0.000 0.786 434 Q N -0.226 119.728 119.800 0.257 0.000 2.170 434 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 434 Q C 1.866 178.062 176.000 0.327 0.000 0.976 434 Q CA 1.493 57.492 55.803 0.326 0.000 0.858 434 Q CB -0.442 28.429 28.738 0.221 0.000 0.907 434 Q HN 0.410 nan 8.270 nan 0.000 0.433 435 K N -0.577 119.927 120.400 0.174 0.000 2.186 435 K HA 0.110 4.430 4.320 -0.000 0.000 0.202 435 K C 1.984 178.618 176.600 0.058 0.000 1.052 435 K CA 0.307 56.647 56.287 0.089 0.000 0.965 435 K CB 0.092 32.567 32.500 -0.042 0.000 0.746 435 K HN 0.083 nan 8.250 nan 0.000 0.457 436 M N 0.418 120.017 119.600 -0.001 0.000 2.374 436 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 436 M C 1.929 178.230 176.300 0.002 0.000 1.067 436 M CA 1.487 56.714 55.300 -0.122 0.000 1.103 436 M CB -0.825 31.408 32.600 -0.613 0.000 1.402 436 M HN 0.241 nan 8.290 nan 0.000 0.444 437 H N 1.396 120.447 119.070 -0.031 0.000 2.265 437 H HA -0.156 4.400 4.556 -0.000 0.000 0.295 437 H C 1.764 176.998 175.328 -0.156 0.000 1.084 437 H CA 2.530 58.462 56.048 -0.194 0.000 1.261 437 H CB 0.075 29.454 29.762 -0.638 0.000 1.360 437 H HN 0.306 nan 8.280 nan 0.000 0.487 438 N N -0.808 117.822 118.700 -0.117 0.000 2.250 438 N HA -0.128 4.612 4.740 -0.000 0.000 0.181 438 N C 1.805 177.399 175.510 0.141 0.000 1.017 438 N CA 1.182 54.222 53.050 -0.017 0.000 0.866 438 N CB -0.599 37.999 38.487 0.185 0.000 0.985 438 N HN 0.504 nan 8.380 nan 0.000 0.429 439 H N -0.351 118.762 119.070 0.071 0.000 2.518 439 H HA -0.077 4.479 4.556 -0.000 0.000 0.289 439 H C 1.659 177.067 175.328 0.134 0.000 1.051 439 H CA 0.967 57.078 56.048 0.105 0.000 1.280 439 H CB -0.204 29.562 29.762 0.006 0.000 1.380 439 H HN 0.256 nan 8.280 nan 0.000 0.566 440 Y N 0.016 120.288 120.300 -0.047 0.000 2.224 440 Y HA -0.189 4.361 4.550 -0.000 0.000 0.289 440 Y C 2.498 178.439 175.900 0.069 0.000 1.146 440 Y CA 1.478 59.553 58.100 -0.041 0.000 1.182 440 Y CB -0.581 37.856 38.460 -0.038 0.000 0.983 440 Y HN 0.295 nan 8.280 nan 0.000 0.524 441 A N -0.583 122.355 122.820 0.195 0.000 1.902 441 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 441 A C 2.110 179.746 177.584 0.086 0.000 1.181 441 A CA 1.804 53.968 52.037 0.212 0.000 0.623 441 A CB -1.520 17.610 19.000 0.217 0.000 0.818 441 A HN 0.711 nan 8.150 nan 0.000 0.443 442 Y N 0.748 121.003 120.300 -0.075 0.000 2.114 442 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 442 Y C 2.085 177.844 175.900 -0.235 0.000 1.143 442 Y CA 1.767 59.806 58.100 -0.100 0.000 1.135 442 Y CB -0.149 38.204 38.460 -0.178 0.000 0.980 442 Y HN 0.237 nan 8.280 nan 0.000 0.499 443 I N 0.100 120.484 120.570 -0.310 0.000 2.163 443 I HA -0.365 3.805 4.170 -0.000 0.000 0.243 443 I C 2.413 178.207 176.117 -0.540 0.000 1.085 443 I CA 1.863 62.924 61.300 -0.398 0.000 1.347 443 I CB -1.849 35.970 38.000 -0.301 0.000 1.044 443 I HN 0.446 nan 8.210 nan 0.000 0.408 444 Y N 2.364 122.259 120.300 -0.674 0.000 2.049 444 Y HA -0.325 4.225 4.550 -0.000 0.000 0.277 444 Y C 2.679 178.217 175.900 -0.604 0.000 1.143 444 Y CA 1.805 59.465 58.100 -0.733 0.000 1.115 444 Y CB -0.159 38.044 38.460 -0.428 0.000 0.975 444 Y HN 0.197 nan 8.280 nan 0.000 0.487 445 N N 0.655 118.965 118.700 -0.649 0.000 2.120 445 N HA -0.246 4.494 4.740 -0.000 0.000 0.188 445 N C 1.817 176.770 175.510 -0.929 0.000 1.024 445 N CA 1.715 54.333 53.050 -0.720 0.000 0.852 445 N CB -0.532 37.689 38.487 -0.442 0.000 1.003 445 N HN 0.608 nan 8.380 nan 0.000 0.424 446 E N 1.225 120.686 120.200 -1.232 0.000 2.118 446 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 446 E C 2.166 178.323 176.600 -0.738 0.000 0.992 446 E CA 0.641 56.151 56.400 -1.484 0.000 0.804 446 E CB -0.098 28.923 29.700 -1.133 0.000 0.741 446 E HN 0.308 nan 8.360 nan 0.000 0.458 447 L N 0.292 121.152 121.223 -0.605 0.000 2.027 447 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 447 L C 2.350 179.031 176.870 -0.315 0.000 1.074 447 L CA 1.118 55.694 54.840 -0.440 0.000 0.745 447 L CB -0.153 41.547 42.059 -0.599 0.000 0.898 447 L HN 0.074 nan 8.230 nan 0.000 0.433 448 V N -0.567 119.154 119.914 -0.323 0.000 2.343 448 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 448 V C 2.171 178.204 176.094 -0.102 0.000 1.051 448 V CA 2.193 64.372 62.300 -0.201 0.000 1.036 448 V CB -1.042 30.656 31.823 -0.208 0.000 0.654 448 V HN 0.726 nan 8.190 nan 0.000 0.451 449 W N 1.589 122.669 121.300 -0.367 0.000 2.338 449 W HA -0.206 4.454 4.660 -0.000 0.000 0.304 449 W C 2.187 178.601 176.519 -0.175 0.000 1.212 449 W CA 2.035 59.218 57.345 -0.270 0.000 1.264 449 W CB -0.402 28.766 29.460 -0.487 0.000 1.142 449 W HN 0.350 nan 8.180 nan 0.000 0.512 450 N N 0.476 119.142 118.700 -0.057 0.000 2.309 450 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 450 N C 1.725 177.160 175.510 -0.125 0.000 1.018 450 N CA 1.463 54.470 53.050 -0.071 0.000 0.876 450 N CB -0.818 37.636 38.487 -0.055 0.000 0.972 450 N HN 0.040 nan 8.380 nan 0.000 0.434 451 V N 0.778 120.615 119.914 -0.128 0.000 2.307 451 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 451 V C 2.212 178.247 176.094 -0.098 0.000 1.045 451 V CA 1.025 63.265 62.300 -0.101 0.000 1.024 451 V CB -0.370 31.396 31.823 -0.094 0.000 0.651 451 V HN 0.167 nan 8.190 nan 0.000 0.449 452 L N 0.101 121.249 121.223 -0.126 0.000 2.012 452 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 452 L C 2.405 179.124 176.870 -0.252 0.000 1.073 452 L CA 1.953 56.686 54.840 -0.179 0.000 0.748 452 L CB -1.048 40.844 42.059 -0.279 0.000 0.891 452 L HN 0.303 nan 8.230 nan 0.000 0.431 453 K N -0.619 119.569 120.400 -0.354 0.000 2.063 453 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 453 K C 1.404 177.922 176.600 -0.136 0.000 1.048 453 K CA 1.784 57.906 56.287 -0.275 0.000 0.928 453 K CB -0.059 32.300 32.500 -0.234 0.000 0.713 453 K HN 0.380 nan 8.250 nan 0.000 0.442 454 D N -0.480 119.855 120.400 -0.108 0.000 2.355 454 D HA -0.053 4.587 4.640 -0.000 0.000 0.218 454 D C 1.479 177.740 176.300 -0.065 0.000 1.004 454 D CA 1.150 55.109 54.000 -0.069 0.000 0.880 454 D CB 0.565 41.331 40.800 -0.058 0.000 0.911 454 D HN 0.497 nan 8.370 nan 0.000 0.528 455 T N -1.701 112.807 114.554 -0.077 0.000 3.587 455 T HA -0.024 4.326 4.350 -0.000 0.000 0.221 455 T C 2.141 176.802 174.700 -0.066 0.000 0.921 455 T CA 0.716 62.777 62.100 -0.065 0.000 1.426 455 T CB -0.747 68.085 68.868 -0.059 0.000 1.340 455 T HN -0.067 nan 8.240 nan 0.000 0.423 456 V N -0.009 119.859 119.914 -0.077 0.000 2.913 456 V HA 0.487 4.607 4.120 -0.000 0.000 0.260 456 V C 1.323 177.384 176.094 -0.054 0.000 1.098 456 V CA 0.267 62.529 62.300 -0.064 0.000 1.121 456 V CB -1.798 29.988 31.823 -0.061 0.000 0.714 456 V HN 1.367 nan 8.190 nan 0.000 0.487 457 G N 0.001 108.753 108.800 -0.079 0.000 2.784 457 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 457 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 457 G C 0.075 174.913 174.900 -0.104 0.000 1.156 457 G CA 0.135 45.195 45.100 -0.067 0.000 0.757 457 G HN 0.418 nan 8.290 nan 0.000 0.642 458 E N 0.373 120.520 120.200 -0.088 0.000 2.114 458 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 458 E C 2.114 178.682 176.600 -0.054 0.000 1.008 458 E CA 2.305 58.647 56.400 -0.097 0.000 0.810 458 E CB 0.015 29.733 29.700 0.030 0.000 0.739 458 E HN 0.688 nan 8.360 nan 0.000 0.456 459 E N 0.527 120.732 120.200 0.008 0.000 2.160 459 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 459 E C 1.654 178.283 176.600 0.050 0.000 0.991 459 E CA 1.178 57.610 56.400 0.054 0.000 0.810 459 E CB -0.032 29.710 29.700 0.071 0.000 0.742 459 E HN 0.260 nan 8.360 nan 0.000 0.466 460 E N 0.131 120.351 120.200 0.032 0.000 2.474 460 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 460 E C 0.037 176.644 176.600 0.011 0.000 1.039 460 E CA 0.237 56.707 56.400 0.118 0.000 0.881 460 E CB 0.338 30.143 29.700 0.176 0.000 0.970 460 E HN 0.206 nan 8.360 nan 0.000 0.486 461 A N 1.488 124.186 122.820 -0.203 0.000 2.451 461 A HA 0.359 4.679 4.320 -0.000 0.000 0.266 461 A C -0.003 177.392 177.584 -0.314 0.000 1.119 461 A CA -0.024 51.735 52.037 -0.463 0.000 0.786 461 A CB 0.486 18.792 19.000 -1.157 0.000 1.061 461 A HN 0.026 nan 8.150 nan 0.000 0.503 462 V N 4.117 123.970 119.914 -0.101 0.000 3.120 462 V HA 0.722 4.842 4.120 -0.000 0.000 0.303 462 V C -1.124 175.081 176.094 0.186 0.000 1.238 462 V CA -0.574 61.786 62.300 0.101 0.000 1.008 462 V CB 2.042 33.840 31.823 -0.042 0.000 1.064 462 V HN 0.904 nan 8.190 nan 0.000 0.434 463 L N 3.503 124.846 121.223 0.199 0.000 2.301 463 L HA 0.665 5.005 4.340 -0.000 0.000 0.249 463 L C -1.636 175.290 176.870 0.093 0.000 1.069 463 L CA -0.622 54.319 54.840 0.169 0.000 0.865 463 L CB 2.408 44.535 42.059 0.112 0.000 1.467 463 L HN 0.604 nan 8.230 nan 0.000 0.419 464 F N 1.154 120.983 119.950 -0.201 0.000 2.686 464 F HA 0.562 5.089 4.527 -0.000 0.000 0.365 464 F C 0.184 175.823 175.800 -0.269 0.000 1.196 464 F CA -0.638 57.163 58.000 -0.332 0.000 1.198 464 F CB 1.196 39.912 39.000 -0.473 0.000 1.454 464 F HN 0.362 nan 8.300 nan 0.000 0.539 465 A N 3.159 125.800 122.820 -0.298 0.000 2.320 465 A HA 0.435 4.755 4.320 -0.000 0.000 0.287 465 A C 1.359 178.857 177.584 -0.143 0.000 1.181 465 A CA -0.387 51.477 52.037 -0.288 0.000 0.831 465 A CB 0.563 19.256 19.000 -0.512 0.000 1.102 465 A HN 0.840 nan 8.150 nan 0.000 0.513 466 R N 1.450 121.912 120.500 -0.064 0.000 2.173 466 R HA 0.029 4.369 4.340 -0.000 0.000 0.208 466 R C 0.584 176.825 176.300 -0.099 0.000 1.035 466 R CA 1.266 57.299 56.100 -0.112 0.000 1.004 466 R CB 0.063 30.235 30.300 -0.213 0.000 0.917 466 R HN 0.818 nan 8.270 nan 0.000 0.462 467 S N -0.984 114.733 115.700 0.028 0.000 2.607 467 S HA 0.862 5.332 4.470 -0.000 0.000 0.303 467 S C -0.723 173.982 174.600 0.175 0.000 1.086 467 S CA -0.507 57.771 58.200 0.130 0.000 0.995 467 S CB 2.451 65.763 63.200 0.187 0.000 1.084 467 S HN 0.234 nan 8.310 nan 0.000 0.507 468 A N 0.475 123.398 122.820 0.171 0.000 2.586 468 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 468 A C -0.563 177.148 177.584 0.212 0.000 1.086 468 A CA -0.472 51.697 52.037 0.220 0.000 0.665 468 A CB 1.064 20.157 19.000 0.155 0.000 1.279 468 A HN 1.535 nan 8.150 nan 0.000 0.423 469 S N -1.029 114.847 115.700 0.292 0.000 2.638 469 S HA 0.597 5.067 4.470 -0.000 0.000 0.274 469 S C -0.817 173.923 174.600 0.234 0.000 1.157 469 S CA -0.181 58.188 58.200 0.282 0.000 0.826 469 S CB 1.252 64.644 63.200 0.320 0.000 1.139 469 S HN 1.612 nan 8.310 nan 0.000 0.474 470 V N 2.778 122.730 119.914 0.064 0.000 2.678 470 V HA 0.322 4.442 4.120 -0.000 0.000 0.304 470 V C 1.839 177.779 176.094 -0.257 0.000 1.086 470 V CA 1.968 64.118 62.300 -0.249 0.000 1.246 470 V CB -0.245 31.001 31.823 -0.962 0.000 0.861 470 V HN 1.630 nan 8.190 nan 0.000 0.491 471 G N 3.915 112.515 108.800 -0.332 0.000 2.217 471 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 471 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 471 G C 0.890 175.711 174.900 -0.131 0.000 0.990 471 G CA 0.296 45.197 45.100 -0.331 0.000 0.627 471 G HN 1.473 nan 8.290 nan 0.000 0.522 472 A N 0.765 123.626 122.820 0.069 0.000 2.209 472 A HA 0.203 4.522 4.320 -0.000 0.000 0.212 472 A C 2.234 179.773 177.584 -0.075 0.000 1.158 472 A CA 1.936 54.094 52.037 0.203 0.000 0.742 472 A CB -0.300 18.999 19.000 0.499 0.000 0.790 472 A HN 0.871 nan 8.150 nan 0.000 0.472 473 Q N 0.770 120.195 119.800 -0.626 0.000 2.364 473 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 473 Q C 1.027 176.695 176.000 -0.554 0.000 0.970 473 Q CA 1.498 56.784 55.803 -0.862 0.000 0.888 473 Q CB -0.508 27.354 28.738 -1.460 0.000 0.951 473 Q HN 0.663 nan 8.270 nan 0.000 0.469 474 K N 0.194 120.102 120.400 -0.819 0.000 2.439 474 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 474 K C -0.260 175.532 176.600 -1.347 0.000 1.041 474 K CA 0.472 56.134 56.287 -1.043 0.000 0.970 474 K CB 0.085 31.831 32.500 -1.257 0.000 0.773 474 K HN 0.153 nan 8.250 nan 0.000 0.479 475 F N 2.192 121.763 119.950 -0.632 0.000 2.438 475 F HA 0.255 4.782 4.527 -0.000 0.000 0.315 475 F C -2.225 173.381 175.800 -0.323 0.000 1.258 475 F CA -3.786 53.645 58.000 -0.947 0.000 1.180 475 F CB -0.191 38.439 39.000 -0.616 0.000 1.412 475 F HN -0.171 nan 8.300 nan 0.000 0.544 476 P HA -0.148 nan 4.420 nan 0.000 0.268 476 P C 0.281 177.557 177.300 -0.041 0.000 1.171 476 P CA 0.745 63.894 63.100 0.082 0.000 0.761 476 P CB 1.416 33.143 31.700 0.045 0.000 0.786 477 V N 2.231 122.137 119.914 -0.014 0.000 3.556 477 V HA -0.208 3.912 4.120 -0.000 0.000 0.463 477 V C -1.260 174.567 176.094 -0.445 0.000 0.681 477 V CA 0.578 62.687 62.300 -0.319 0.000 1.957 477 V CB -1.900 29.402 31.823 -0.867 0.000 2.397 477 V HN 0.752 nan 8.190 nan 0.000 0.496 478 H N 6.079 124.997 119.070 -0.253 0.000 2.467 478 H HA 0.613 5.169 4.556 -0.000 0.000 0.326 478 H C -0.187 174.928 175.328 -0.354 0.000 1.094 478 H CA 0.489 56.406 56.048 -0.220 0.000 1.253 478 H CB 1.143 30.842 29.762 -0.105 0.000 1.439 478 H HN 0.880 nan 8.280 nan 0.000 0.479 479 W N 3.456 124.429 121.300 -0.545 0.000 2.376 479 W HA 0.402 5.062 4.660 -0.000 0.000 0.322 479 W C 0.921 177.261 176.519 -0.299 0.000 1.160 479 W CA -0.974 56.003 57.345 -0.613 0.000 1.218 479 W CB 0.999 30.153 29.460 -0.510 0.000 1.205 479 W HN 0.733 nan 8.180 nan 0.000 0.559 480 G N 3.516 111.824 108.800 -0.820 0.000 2.882 480 G HA2 0.351 4.311 3.960 -0.000 0.000 0.206 480 G HA3 0.351 4.311 3.960 -0.000 0.000 0.206 480 G C 0.679 175.139 174.900 -0.733 0.000 1.155 480 G CA 0.489 45.377 45.100 -0.354 0.000 0.800 480 G HN 1.367 nan 8.290 nan 0.000 0.524 481 G N 0.159 107.794 108.800 -1.942 0.000 2.632 481 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.224 481 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.224 481 G C -0.900 173.247 174.900 -1.255 0.000 1.341 481 G CA -0.289 43.731 45.100 -1.801 0.000 0.880 481 G HN 0.225 nan 8.290 nan 0.000 0.566 482 D N 1.129 121.112 120.400 -0.696 0.000 2.380 482 D HA 0.469 5.109 4.640 -0.000 0.000 0.230 482 D C 0.926 177.099 176.300 -0.212 0.000 1.154 482 D CA 0.611 54.322 54.000 -0.481 0.000 0.859 482 D CB 0.108 40.548 40.800 -0.600 0.000 1.045 482 D HN 0.938 nan 8.370 nan 0.000 0.495 483 C N 1.442 120.714 119.300 -0.047 0.000 2.562 483 C HA 0.646 5.106 4.460 -0.000 0.000 0.332 483 C C 0.048 175.072 174.990 0.057 0.000 1.201 483 C CA -1.136 57.918 59.018 0.060 0.000 1.803 483 C CB -0.039 27.859 27.740 0.263 0.000 2.328 483 C HN 0.432 nan 8.230 nan 0.000 0.500 484 Y N 0.317 120.758 120.300 0.234 0.000 2.300 484 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 484 Y C 1.062 177.133 175.900 0.286 0.000 1.270 484 Y CA 0.163 58.393 58.100 0.218 0.000 1.352 484 Y CB 0.862 39.427 38.460 0.175 0.000 1.286 484 Y HN 0.935 nan 8.280 nan 0.000 0.536 485 A N 3.006 126.045 122.820 0.365 0.000 3.126 485 A HA 0.362 4.682 4.320 -0.000 0.000 0.268 485 A C -0.735 177.027 177.584 0.297 0.000 1.605 485 A CA -0.292 51.926 52.037 0.302 0.000 1.305 485 A CB -1.683 17.397 19.000 0.134 0.000 1.160 485 A HN 0.811 nan 8.150 nan 0.000 0.609 486 N N -2.424 116.505 118.700 0.382 0.000 2.825 486 N HA 0.411 5.151 4.740 -0.000 0.000 0.253 486 N C -0.087 175.563 175.510 0.232 0.000 1.426 486 N CA -0.796 52.362 53.050 0.181 0.000 0.851 486 N CB 0.354 38.945 38.487 0.173 0.000 1.470 486 N HN -0.084 nan 8.380 nan 0.000 0.517 487 Y N -0.073 120.398 120.300 0.286 0.000 2.181 487 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 487 Y C 1.700 177.713 175.900 0.189 0.000 1.146 487 Y CA 1.410 59.670 58.100 0.268 0.000 1.164 487 Y CB -0.464 38.173 38.460 0.296 0.000 0.982 487 Y HN 0.656 nan 8.280 nan 0.000 0.515 488 E N -0.615 119.759 120.200 0.289 0.000 2.118 488 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 488 E C 2.464 179.155 176.600 0.152 0.000 0.992 488 E CA 1.510 58.001 56.400 0.153 0.000 0.804 488 E CB -0.536 29.236 29.700 0.120 0.000 0.741 488 E HN 0.225 nan 8.360 nan 0.000 0.458 489 S N -0.515 115.321 115.700 0.227 0.000 2.406 489 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 489 S C 1.880 176.629 174.600 0.249 0.000 1.020 489 S CA 1.023 59.387 58.200 0.274 0.000 0.965 489 S CB -0.154 63.293 63.200 0.410 0.000 0.798 489 S HN 0.309 nan 8.310 nan 0.000 0.488 490 M N 1.081 120.736 119.600 0.093 0.000 2.086 490 M HA -0.049 4.431 4.480 -0.000 0.000 0.261 490 M C 2.124 178.491 176.300 0.113 0.000 1.067 490 M CA 1.765 56.884 55.300 -0.301 0.000 1.116 490 M CB -0.495 31.791 32.600 -0.523 0.000 1.348 490 M HN 0.439 nan 8.290 nan 0.000 0.407 491 A N 0.258 123.149 122.820 0.119 0.000 1.877 491 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 491 A C 1.817 179.398 177.584 -0.005 0.000 1.186 491 A CA 2.081 54.032 52.037 -0.142 0.000 0.620 491 A CB -0.920 17.819 19.000 -0.436 0.000 0.822 491 A HN 0.690 nan 8.150 nan 0.000 0.443 492 E N 0.085 120.336 120.200 0.086 0.000 2.070 492 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 492 E C 2.346 179.124 176.600 0.296 0.000 1.004 492 E CA 1.632 58.136 56.400 0.172 0.000 0.805 492 E CB -0.207 29.604 29.700 0.183 0.000 0.744 492 E HN 0.639 nan 8.360 nan 0.000 0.451 493 S N 1.055 116.963 115.700 0.347 0.000 2.368 493 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 493 S C 1.933 176.727 174.600 0.324 0.000 1.030 493 S CA 0.847 59.349 58.200 0.502 0.000 0.999 493 S CB -0.291 63.288 63.200 0.631 0.000 0.844 493 S HN 0.151 nan 8.310 nan 0.000 0.459 494 L N 2.546 123.912 121.223 0.239 0.000 2.012 494 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 494 L C 2.243 179.000 176.870 -0.188 0.000 1.073 494 L CA 1.728 56.584 54.840 0.027 0.000 0.748 494 L CB -0.655 41.359 42.059 -0.075 0.000 0.891 494 L HN 0.144 nan 8.230 nan 0.000 0.431 495 R N -0.539 119.904 120.500 -0.095 0.000 2.091 495 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 495 R C 2.208 178.345 176.300 -0.271 0.000 1.136 495 R CA 1.306 57.323 56.100 -0.140 0.000 0.959 495 R CB -1.127 29.136 30.300 -0.062 0.000 0.856 495 R HN 0.607 nan 8.270 nan 0.000 0.437 496 G N 0.313 108.954 108.800 -0.266 0.000 2.421 496 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 496 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 496 G C 1.535 175.972 174.900 -0.771 0.000 1.171 496 G CA 0.821 45.607 45.100 -0.523 0.000 0.775 496 G HN 0.459 nan 8.290 nan 0.000 0.543 497 G N 0.810 108.845 108.800 -1.274 0.000 2.418 497 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 497 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 497 G C 1.814 176.115 174.900 -1.000 0.000 1.158 497 G CA 0.737 44.531 45.100 -2.177 0.000 0.771 497 G HN 0.413 nan 8.290 nan 0.000 0.545 498 L N 0.650 121.484 121.223 -0.648 0.000 2.017 498 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 498 L C 3.214 179.899 176.870 -0.308 0.000 1.073 498 L CA 1.271 55.887 54.840 -0.373 0.000 0.745 498 L CB -0.470 41.446 42.059 -0.238 0.000 0.894 498 L HN 0.187 nan 8.230 nan 0.000 0.432 499 S N 0.016 115.519 115.700 -0.328 0.000 2.370 499 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 499 S C 1.954 176.405 174.600 -0.249 0.000 1.033 499 S CA 1.361 59.408 58.200 -0.255 0.000 1.011 499 S CB -0.283 62.741 63.200 -0.294 0.000 0.852 499 S HN 0.332 nan 8.310 nan 0.000 0.457 500 I N 1.273 121.627 120.570 -0.359 0.000 2.315 500 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 500 I C 2.314 178.367 176.117 -0.106 0.000 1.117 500 I CA 1.109 62.238 61.300 -0.285 0.000 1.404 500 I CB -0.564 37.175 38.000 -0.436 0.000 1.071 500 I HN 0.385 nan 8.210 nan 0.000 0.419 501 G N 0.732 109.427 108.800 -0.175 0.000 2.418 501 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 501 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 501 G C 1.532 176.385 174.900 -0.079 0.000 1.158 501 G CA 0.422 45.455 45.100 -0.112 0.000 0.771 501 G HN 0.394 nan 8.290 nan 0.000 0.545 502 L N 1.118 122.286 121.223 -0.092 0.000 2.622 502 L HA 0.087 4.427 4.340 -0.000 0.000 0.233 502 L C 1.696 178.597 176.870 0.051 0.000 1.156 502 L CA 0.318 55.127 54.840 -0.052 0.000 0.866 502 L CB 0.322 42.334 42.059 -0.079 0.000 0.980 502 L HN 0.095 nan 8.230 nan 0.000 0.448 503 S N -0.797 114.940 115.700 0.063 0.000 2.593 503 S HA 0.349 4.819 4.470 -0.000 0.000 0.236 503 S C 1.238 175.881 174.600 0.072 0.000 0.991 503 S CA 0.417 58.698 58.200 0.135 0.000 0.963 503 S CB 1.023 64.325 63.200 0.170 0.000 0.865 503 S HN 0.531 nan 8.310 nan 0.000 0.488 504 G N 1.252 110.045 108.800 -0.012 0.000 2.176 504 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 504 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 504 G C -0.165 174.507 174.900 -0.379 0.000 0.986 504 G CA -0.611 44.403 45.100 -0.143 0.000 0.643 504 G HN 0.443 nan 8.290 nan 0.000 0.522 505 F N 1.187 121.022 119.950 -0.191 0.000 2.385 505 F HA 0.561 5.088 4.527 -0.000 0.000 0.360 505 F C 1.609 177.263 175.800 -0.243 0.000 1.122 505 F CA 0.255 58.119 58.000 -0.226 0.000 1.090 505 F CB 1.833 40.677 39.000 -0.260 0.000 1.150 505 F HN 0.009 nan 8.300 nan 0.000 0.472 506 G N 3.221 111.886 108.800 -0.225 0.000 2.464 506 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.217 506 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.217 506 G C -0.071 174.327 174.900 -0.837 0.000 1.138 506 G CA 0.414 45.156 45.100 -0.596 0.000 0.793 506 G HN 0.369 nan 8.290 nan 0.000 0.539 507 F N -1.902 118.124 119.950 0.127 0.000 2.540 507 F HA 0.646 5.173 4.527 -0.000 0.000 0.317 507 F C -0.792 175.120 175.800 0.186 0.000 1.104 507 F CA -1.602 56.488 58.000 0.150 0.000 0.913 507 F CB 1.882 40.903 39.000 0.034 0.000 1.170 507 F HN 0.055 nan 8.300 nan 0.000 0.450 508 W N 2.351 123.721 121.300 0.118 0.000 3.138 508 W HA 0.701 5.361 4.660 -0.000 0.000 0.331 508 W C -1.287 175.242 176.519 0.016 0.000 1.166 508 W CA -0.741 56.603 57.345 -0.002 0.000 1.212 508 W CB 2.106 31.543 29.460 -0.039 0.000 1.399 508 W HN 0.540 nan 8.180 nan 0.000 0.514 509 S N 2.300 117.478 115.700 -0.870 0.000 2.704 509 S HA 0.846 5.316 4.470 -0.000 0.000 0.296 509 S C -1.189 172.800 174.600 -1.018 0.000 1.138 509 S CA -0.376 57.383 58.200 -0.736 0.000 0.875 509 S CB 1.069 63.889 63.200 -0.634 0.000 1.151 509 S HN 0.760 nan 8.310 nan 0.000 0.500 510 H N -0.976 117.695 119.070 -0.666 0.000 2.918 510 H HA 0.573 5.129 4.556 -0.000 0.000 0.303 510 H C -2.060 173.299 175.328 0.051 0.000 1.380 510 H CA -1.124 54.696 56.048 -0.380 0.000 1.134 510 H CB 0.435 29.897 29.762 -0.499 0.000 1.842 510 H HN 0.328 nan 8.280 nan 0.000 0.533 511 D N 1.214 121.728 120.400 0.189 0.000 2.329 511 D HA 0.254 4.894 4.640 -0.000 0.000 0.232 511 D C 0.064 176.117 176.300 -0.412 0.000 1.088 511 D CA -0.350 53.671 54.000 0.035 0.000 0.835 511 D CB 1.223 42.197 40.800 0.290 0.000 1.078 511 D HN 0.390 nan 8.370 nan 0.000 0.495 512 I N 1.794 122.087 120.570 -0.461 0.000 2.742 512 I HA 0.082 4.252 4.170 -0.000 0.000 0.287 512 I C 1.660 177.301 176.117 -0.793 0.000 1.186 512 I CA 0.682 61.575 61.300 -0.678 0.000 1.417 512 I CB 0.171 37.953 38.000 -0.363 0.000 1.377 512 I HN 0.708 nan 8.210 nan 0.000 0.556 513 G N 3.979 111.975 108.800 -1.340 0.000 2.217 513 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.246 513 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.246 513 G C 0.576 174.937 174.900 -0.898 0.000 0.990 513 G CA -0.101 44.597 45.100 -0.671 0.000 0.627 513 G HN 1.620 nan 8.290 nan 0.000 0.522 514 G N -1.699 106.315 108.800 -1.309 0.000 2.721 514 G HA2 0.175 4.135 3.960 -0.000 0.000 0.686 514 G HA3 0.175 4.135 3.960 -0.000 0.000 0.686 514 G C 0.200 174.967 174.900 -0.220 0.000 1.236 514 G CA 0.139 44.844 45.100 -0.659 0.000 0.786 514 G HN 1.448 nan 8.290 nan 0.000 0.616 515 F N 1.203 121.047 119.950 -0.176 0.000 2.053 515 F HA 0.212 4.739 4.527 -0.000 0.000 0.292 515 F C 1.603 177.311 175.800 -0.153 0.000 1.125 515 F CA 1.762 59.682 58.000 -0.133 0.000 1.193 515 F CB 0.096 39.090 39.000 -0.009 0.000 0.996 515 F HN 0.519 nan 8.300 nan 0.000 0.470 516 E N 2.362 122.567 120.200 0.009 0.000 2.338 516 E HA 0.154 4.504 4.350 -0.000 0.000 0.272 516 E C -0.406 176.181 176.600 -0.021 0.000 1.029 516 E CA 0.009 56.332 56.400 -0.128 0.000 0.872 516 E CB 0.481 29.835 29.700 -0.577 0.000 1.015 516 E HN 0.400 nan 8.360 nan 0.000 0.417 517 N N 0.065 118.780 118.700 0.025 0.000 6.033 517 N HA -0.161 4.579 4.740 -0.000 0.000 0.394 517 N C -1.092 174.420 175.510 0.002 0.000 1.156 517 N CA 0.713 53.807 53.050 0.074 0.000 2.206 517 N CB -0.594 38.013 38.487 0.199 0.000 0.665 517 N HN 0.384 nan 8.380 nan 0.000 0.591 518 T N 0.557 115.116 114.554 0.008 0.000 2.929 518 T HA 0.693 5.043 4.350 -0.000 0.000 0.331 518 T C 0.208 174.927 174.700 0.033 0.000 1.120 518 T CA 0.083 62.172 62.100 -0.019 0.000 0.973 518 T CB 0.380 69.202 68.868 -0.076 0.000 1.036 518 T HN 0.697 nan 8.240 nan 0.000 0.502 519 A N 6.291 129.162 122.820 0.085 0.000 2.531 519 A HA 0.447 4.767 4.320 -0.000 0.000 0.236 519 A C -1.870 175.788 177.584 0.124 0.000 1.062 519 A CA -0.960 51.139 52.037 0.103 0.000 0.760 519 A CB -0.159 18.918 19.000 0.128 0.000 0.995 519 A HN 0.480 nan 8.150 nan 0.000 0.501 520 P HA 0.244 nan 4.420 nan 0.000 0.275 520 P C 0.907 178.184 177.300 -0.037 0.000 1.228 520 P CA 0.403 63.479 63.100 -0.041 0.000 0.786 520 P CB 1.150 32.758 31.700 -0.153 0.000 0.927 521 A N 3.562 126.455 122.820 0.121 0.000 1.923 521 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 521 A C 2.077 179.654 177.584 -0.011 0.000 1.258 521 A CA 2.900 55.017 52.037 0.133 0.000 0.670 521 A CB -2.337 16.739 19.000 0.127 0.000 0.834 521 A HN 0.855 nan 8.150 nan 0.000 0.470 522 H N -1.832 117.260 119.070 0.037 0.000 2.319 522 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 522 H C 1.667 177.157 175.328 0.271 0.000 1.092 522 H CA 1.468 57.568 56.048 0.086 0.000 1.302 522 H CB -1.037 28.980 29.762 0.426 0.000 1.373 522 H HN 0.139 nan 8.280 nan 0.000 0.497 523 V N 0.612 120.451 119.914 -0.126 0.000 2.332 523 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 523 V C 2.353 178.602 176.094 0.257 0.000 1.055 523 V CA 2.165 64.468 62.300 0.005 0.000 1.038 523 V CB -0.927 30.720 31.823 -0.293 0.000 0.651 523 V HN 0.483 nan 8.190 nan 0.000 0.450 524 Y N 1.129 121.414 120.300 -0.025 0.000 2.181 524 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 524 Y C 2.455 178.335 175.900 -0.034 0.000 1.146 524 Y CA 1.893 59.912 58.100 -0.135 0.000 1.164 524 Y CB -0.164 37.921 38.460 -0.625 0.000 0.982 524 Y HN 0.186 nan 8.280 nan 0.000 0.515 525 K N -0.428 119.969 120.400 -0.006 0.000 2.025 525 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 525 K C 2.116 178.807 176.600 0.152 0.000 1.049 525 K CA 1.270 57.560 56.287 0.005 0.000 0.933 525 K CB -0.109 32.327 32.500 -0.107 0.000 0.714 525 K HN 0.090 nan 8.250 nan 0.000 0.438 526 R N 0.190 120.870 120.500 0.302 0.000 2.120 526 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 526 R C 1.918 178.337 176.300 0.198 0.000 1.123 526 R CA 0.983 57.248 56.100 0.274 0.000 0.975 526 R CB -0.519 30.012 30.300 0.386 0.000 0.866 526 R HN 0.463 nan 8.270 nan 0.000 0.446 527 W N 0.656 121.996 121.300 0.067 0.000 2.436 527 W HA -0.111 4.549 4.660 -0.000 0.000 0.284 527 W C 1.959 178.433 176.519 -0.075 0.000 1.225 527 W CA 0.072 57.465 57.345 0.080 0.000 1.271 527 W CB -0.491 28.993 29.460 0.039 0.000 1.114 527 W HN 0.040 nan 8.180 nan 0.000 0.559 528 C N 0.265 119.573 119.300 0.013 0.000 2.413 528 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 528 C C 3.078 177.995 174.990 -0.123 0.000 1.248 528 C CA 1.763 60.712 59.018 -0.114 0.000 1.742 528 C CB -1.524 26.107 27.740 -0.182 0.000 2.017 528 C HN 0.354 nan 8.230 nan 0.000 0.481 529 A N 0.289 122.934 122.820 -0.293 0.000 1.858 529 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 529 A C 1.976 179.452 177.584 -0.180 0.000 1.190 529 A CA 1.846 53.412 52.037 -0.784 0.000 0.617 529 A CB -0.958 17.562 19.000 -0.801 0.000 0.827 529 A HN 0.507 nan 8.150 nan 0.000 0.443 530 F N 1.512 121.393 119.950 -0.116 0.000 2.091 530 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 530 F C 2.271 178.221 175.800 0.250 0.000 1.103 530 F CA 1.482 59.533 58.000 0.085 0.000 1.228 530 F CB -1.128 37.894 39.000 0.037 0.000 0.984 530 F HN 0.172 nan 8.300 nan 0.000 0.477 531 G N 0.859 109.686 108.800 0.045 0.000 2.418 531 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 531 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 531 G C 1.634 176.521 174.900 -0.020 0.000 1.158 531 G CA 0.719 45.709 45.100 -0.182 0.000 0.771 531 G HN 0.368 nan 8.290 nan 0.000 0.545 532 L N -0.121 121.134 121.223 0.053 0.000 2.376 532 L HA 0.178 4.518 4.340 -0.000 0.000 0.219 532 L C 1.609 178.603 176.870 0.206 0.000 1.133 532 L CA 0.692 55.616 54.840 0.140 0.000 0.816 532 L CB -0.478 41.711 42.059 0.216 0.000 0.933 532 L HN 0.140 nan 8.230 nan 0.000 0.449 533 L N -1.027 120.339 121.223 0.238 0.000 2.783 533 L HA 0.206 4.546 4.340 -0.000 0.000 0.236 533 L C 0.531 177.667 176.870 0.444 0.000 1.225 533 L CA 0.281 55.325 54.840 0.339 0.000 1.026 533 L CB -0.550 41.716 42.059 0.345 0.000 1.314 533 L HN 0.000 nan 8.230 nan 0.000 0.489 534 S N -2.077 113.824 115.700 0.335 0.000 2.638 534 S HA 0.346 4.816 4.470 -0.000 0.000 0.302 534 S C 1.169 175.935 174.600 0.276 0.000 1.096 534 S CA -0.017 58.385 58.200 0.337 0.000 0.953 534 S CB 1.914 65.312 63.200 0.330 0.000 1.107 534 S HN 0.333 nan 8.310 nan 0.000 0.503 535 S N 0.662 116.549 115.700 0.311 0.000 2.370 535 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 535 S C 0.142 174.674 174.600 -0.114 0.000 1.033 535 S CA 1.256 59.640 58.200 0.306 0.000 1.011 535 S CB -0.497 63.045 63.200 0.570 0.000 0.852 535 S HN 0.762 nan 8.310 nan 0.000 0.457 536 H N 0.247 119.321 119.070 0.005 0.000 2.667 536 H HA 0.704 5.260 4.556 -0.000 0.000 0.353 536 H C -1.033 174.211 175.328 -0.141 0.000 1.072 536 H CA -0.469 55.492 56.048 -0.144 0.000 1.214 536 H CB 2.073 31.633 29.762 -0.337 0.000 1.600 536 H HN 0.171 nan 8.280 nan 0.000 0.527 537 S N 2.919 118.609 115.700 -0.016 0.000 2.500 537 S HA 0.669 5.139 4.470 -0.000 0.000 0.301 537 S C -0.557 174.034 174.600 -0.014 0.000 1.092 537 S CA -1.017 57.152 58.200 -0.053 0.000 1.030 537 S CB 2.011 65.229 63.200 0.030 0.000 1.031 537 S HN 0.615 nan 8.310 nan 0.000 0.483 538 R N 2.108 122.555 120.500 -0.088 0.000 2.584 538 R HA 0.442 4.782 4.340 -0.000 0.000 0.276 538 R C -1.960 174.304 176.300 -0.059 0.000 1.046 538 R CA -0.640 55.437 56.100 -0.040 0.000 0.906 538 R CB 0.950 31.146 30.300 -0.173 0.000 1.215 538 R HN 0.674 nan 8.270 nan 0.000 0.449 539 L N 4.863 126.078 121.223 -0.012 0.000 2.288 539 L HA 0.378 4.718 4.340 -0.000 0.000 0.283 539 L C -0.643 176.235 176.870 0.013 0.000 1.072 539 L CA -0.539 54.289 54.840 -0.021 0.000 0.862 539 L CB 0.530 42.592 42.059 0.005 0.000 1.245 539 L HN 0.564 nan 8.230 nan 0.000 0.432 540 H N 2.070 121.075 119.070 -0.109 0.000 2.717 540 H HA 0.781 5.337 4.556 -0.000 0.000 0.366 540 H C -0.502 174.778 175.328 -0.080 0.000 1.132 540 H CA -0.450 55.540 56.048 -0.096 0.000 1.180 540 H CB 2.086 31.777 29.762 -0.117 0.000 1.678 540 H HN 0.479 nan 8.280 nan 0.000 0.537 541 G N 1.238 109.628 108.800 -0.682 0.000 2.730 541 G HA2 0.373 4.333 3.960 -0.000 0.000 0.289 541 G HA3 0.373 4.333 3.960 -0.000 0.000 0.289 541 G C -0.193 174.053 174.900 -1.090 0.000 1.341 541 G CA -0.043 44.638 45.100 -0.698 0.000 0.932 541 G HN 0.642 nan 8.290 nan 0.000 0.481 542 S N -1.002 114.087 115.700 -1.019 0.000 2.431 542 S HA 0.101 4.571 4.470 -0.000 0.000 0.210 542 S C 1.722 176.146 174.600 -0.294 0.000 1.013 542 S CA 0.886 58.480 58.200 -1.010 0.000 0.920 542 S CB -0.153 62.439 63.200 -1.013 0.000 0.882 542 S HN 0.442 nan 8.310 nan 0.000 0.567 543 K N 1.062 121.315 120.400 -0.244 0.000 2.358 543 K HA 0.259 4.579 4.320 -0.000 0.000 0.197 543 K C -0.012 176.435 176.600 -0.256 0.000 1.025 543 K CA 0.037 56.223 56.287 -0.167 0.000 1.104 543 K CB 0.850 33.295 32.500 -0.092 0.000 0.855 543 K HN 0.429 nan 8.250 nan 0.000 0.531 544 S N -0.566 114.952 115.700 -0.304 0.000 2.627 544 S HA 0.441 4.911 4.470 -0.000 0.000 0.283 544 S C -0.773 173.618 174.600 -0.349 0.000 1.127 544 S CA -1.047 56.935 58.200 -0.363 0.000 0.863 544 S CB 0.619 63.669 63.200 -0.249 0.000 1.121 544 S HN -0.026 nan 8.310 nan 0.000 0.479 545 Y N 0.768 120.980 120.300 -0.148 0.000 2.336 545 Y HA 0.417 4.967 4.550 -0.000 0.000 0.331 545 Y C 1.566 177.315 175.900 -0.252 0.000 1.211 545 Y CA -0.813 57.152 58.100 -0.225 0.000 1.346 545 Y CB 0.527 38.842 38.460 -0.241 0.000 1.271 545 Y HN 0.505 nan 8.280 nan 0.000 0.538 546 R N 1.890 122.334 120.500 -0.094 0.000 2.702 546 R HA 0.182 4.522 4.340 -0.000 0.000 0.314 546 R C -0.952 175.266 176.300 -0.135 0.000 1.152 546 R CA -0.244 55.820 56.100 -0.060 0.000 1.097 546 R CB -0.821 29.465 30.300 -0.024 0.000 1.343 546 R HN 0.487 nan 8.270 nan 0.000 0.575 547 V N -1.598 118.091 119.914 -0.376 0.000 2.583 547 V HA 0.265 4.385 4.120 -0.000 0.000 0.287 547 V C -1.670 174.094 176.094 -0.551 0.000 1.051 547 V CA -1.756 60.100 62.300 -0.740 0.000 1.010 547 V CB 1.357 32.259 31.823 -1.535 0.000 0.988 547 V HN -0.050 nan 8.190 nan 0.000 0.478 548 P HA -0.136 nan 4.420 nan 0.000 0.213 548 P C 1.369 178.752 177.300 0.138 0.000 1.170 548 P CA 2.239 65.397 63.100 0.097 0.000 0.902 548 P CB -0.172 31.700 31.700 0.287 0.000 0.789 549 W N -0.263 121.140 121.300 0.171 0.000 2.504 549 W HA 0.036 4.696 4.660 -0.000 0.000 0.257 549 W C 1.442 178.008 176.519 0.078 0.000 1.225 549 W CA 0.636 58.055 57.345 0.123 0.000 1.205 549 W CB -1.811 27.707 29.460 0.096 0.000 1.137 549 W HN -0.117 nan 8.180 nan 0.000 0.612 550 A N -0.856 121.848 122.820 -0.192 0.000 2.278 550 A HA 0.175 4.495 4.320 -0.000 0.000 0.212 550 A C 0.867 178.134 177.584 -0.527 0.000 1.213 550 A CA 0.532 52.379 52.037 -0.318 0.000 0.840 550 A CB -0.669 18.037 19.000 -0.489 0.000 0.866 550 A HN 0.504 nan 8.150 nan 0.000 0.489 551 Y N -0.374 119.834 120.300 -0.153 0.000 2.784 551 Y HA 0.306 4.856 4.550 -0.000 0.000 0.267 551 Y C 0.053 175.943 175.900 -0.017 0.000 1.117 551 Y CA 0.037 58.058 58.100 -0.132 0.000 1.231 551 Y CB 0.718 39.036 38.460 -0.237 0.000 1.441 551 Y HN 0.499 nan 8.280 nan 0.000 0.469 552 D N -3.046 117.476 120.400 0.204 0.000 3.036 552 D HA -0.016 4.624 4.640 -0.000 0.000 0.295 552 D C -0.509 175.905 176.300 0.191 0.000 1.180 552 D CA -0.291 53.809 54.000 0.167 0.000 0.726 552 D CB -0.109 40.773 40.800 0.137 0.000 1.270 552 D HN -0.159 nan 8.370 nan 0.000 0.445 553 D N -0.087 120.411 120.400 0.163 0.000 2.117 553 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 553 D C 1.496 177.897 176.300 0.169 0.000 0.987 553 D CA 1.681 55.779 54.000 0.163 0.000 0.829 553 D CB 0.043 40.921 40.800 0.129 0.000 0.961 553 D HN 0.659 nan 8.370 nan 0.000 0.460 554 E N 0.772 121.065 120.200 0.156 0.000 2.097 554 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 554 E C 1.960 178.663 176.600 0.172 0.000 1.000 554 E CA 1.312 57.808 56.400 0.159 0.000 0.804 554 E CB 0.134 29.925 29.700 0.153 0.000 0.740 554 E HN -0.004 nan 8.360 nan 0.000 0.454 555 S N -0.266 115.541 115.700 0.178 0.000 2.383 555 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 555 S C 2.065 176.818 174.600 0.254 0.000 1.030 555 S CA 1.187 59.522 58.200 0.226 0.000 1.002 555 S CB -0.375 62.995 63.200 0.283 0.000 0.829 555 S HN 0.483 nan 8.310 nan 0.000 0.467 556 C N 1.764 121.217 119.300 0.255 0.000 2.440 556 C HA -0.039 4.421 4.460 -0.000 0.000 0.278 556 C C 2.453 177.571 174.990 0.214 0.000 1.295 556 C CA 0.177 59.352 59.018 0.261 0.000 1.738 556 C CB -1.187 26.713 27.740 0.267 0.000 1.987 556 C HN 0.556 nan 8.230 nan 0.000 0.492 557 D N 0.963 121.478 120.400 0.191 0.000 2.097 557 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 557 D C 2.216 178.640 176.300 0.205 0.000 0.989 557 D CA 1.205 55.309 54.000 0.173 0.000 0.827 557 D CB -0.565 40.324 40.800 0.148 0.000 0.966 557 D HN 0.289 nan 8.370 nan 0.000 0.456 558 V N 1.125 121.178 119.914 0.232 0.000 2.287 558 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 558 V C 2.743 179.073 176.094 0.392 0.000 1.053 558 V CA 1.243 63.739 62.300 0.327 0.000 1.027 558 V CB -0.645 31.371 31.823 0.321 0.000 0.646 558 V HN 0.047 nan 8.190 nan 0.000 0.447 559 V N -0.487 119.596 119.914 0.283 0.000 2.343 559 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 559 V C 2.582 178.815 176.094 0.233 0.000 1.051 559 V CA 2.142 64.593 62.300 0.253 0.000 1.036 559 V CB -0.781 31.164 31.823 0.204 0.000 0.654 559 V HN 0.430 nan 8.190 nan 0.000 0.451 560 R N -0.980 119.638 120.500 0.197 0.000 2.073 560 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 560 R C 2.292 178.636 176.300 0.072 0.000 1.134 560 R CA 2.169 58.348 56.100 0.131 0.000 0.952 560 R CB -0.445 29.924 30.300 0.116 0.000 0.850 560 R HN 0.511 nan 8.270 nan 0.000 0.433 561 F N 0.260 120.159 119.950 -0.085 0.000 2.095 561 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 561 F C 1.635 177.198 175.800 -0.395 0.000 1.104 561 F CA 1.620 59.434 58.000 -0.310 0.000 1.232 561 F CB -0.292 38.410 39.000 -0.496 0.000 0.987 561 F HN -0.059 nan 8.300 nan 0.000 0.475 562 F N -0.203 119.874 119.950 0.212 0.000 2.456 562 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 562 F C 2.400 178.221 175.800 0.036 0.000 1.104 562 F CA 1.299 59.370 58.000 0.118 0.000 1.435 562 F CB -1.172 37.961 39.000 0.222 0.000 1.078 562 F HN -0.139 nan 8.300 nan 0.000 0.546 563 T N -0.859 113.806 114.554 0.184 0.000 2.896 563 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 563 T C 1.907 176.651 174.700 0.072 0.000 1.050 563 T CA 1.059 63.256 62.100 0.162 0.000 1.140 563 T CB -0.181 68.800 68.868 0.188 0.000 0.877 563 T HN 0.287 nan 8.240 nan 0.000 0.457 564 Q N 0.288 120.061 119.800 -0.045 0.000 2.079 564 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 564 Q C 2.324 178.224 176.000 -0.167 0.000 0.974 564 Q CA 0.959 56.689 55.803 -0.121 0.000 0.840 564 Q CB -0.339 28.263 28.738 -0.227 0.000 0.898 564 Q HN 0.307 nan 8.270 nan 0.000 0.430 565 L N 1.543 122.594 121.223 -0.287 0.000 1.989 565 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 565 L C 2.220 179.073 176.870 -0.029 0.000 1.071 565 L CA 1.998 56.689 54.840 -0.249 0.000 0.749 565 L CB -0.569 41.285 42.059 -0.342 0.000 0.890 565 L HN 0.032 nan 8.230 nan 0.000 0.431 566 K N -1.162 119.276 120.400 0.064 0.000 2.074 566 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 566 K C 2.094 178.758 176.600 0.106 0.000 1.048 566 K CA 2.046 58.407 56.287 0.123 0.000 0.926 566 K CB -0.394 32.206 32.500 0.166 0.000 0.713 566 K HN 0.569 nan 8.250 nan 0.000 0.444 567 C N 0.486 119.844 119.300 0.097 0.000 2.440 567 C HA 0.010 4.470 4.460 -0.000 0.000 0.278 567 C C 2.539 177.649 174.990 0.201 0.000 1.295 567 C CA 0.466 59.575 59.018 0.152 0.000 1.738 567 C CB -0.845 26.966 27.740 0.118 0.000 1.987 567 C HN 0.485 nan 8.230 nan 0.000 0.492 568 R N 0.320 120.877 120.500 0.096 0.000 2.115 568 R HA 0.028 4.368 4.340 -0.000 0.000 0.226 568 R C 1.913 178.276 176.300 0.104 0.000 1.100 568 R CA 1.039 57.198 56.100 0.100 0.000 0.980 568 R CB -0.277 30.021 30.300 -0.002 0.000 0.875 568 R HN 0.572 nan 8.270 nan 0.000 0.445 569 M N 0.087 119.735 119.600 0.080 0.000 2.659 569 M HA 0.004 4.484 4.480 -0.000 0.000 0.243 569 M C 1.596 177.905 176.300 0.014 0.000 1.111 569 M CA 0.514 55.867 55.300 0.089 0.000 1.070 569 M CB 0.072 32.759 32.600 0.144 0.000 1.525 569 M HN 0.031 nan 8.290 nan 0.000 0.517 570 M N 0.091 119.649 119.600 -0.070 0.000 2.202 570 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 570 M C -0.700 175.135 176.300 -0.774 0.000 1.063 570 M CA 1.666 56.733 55.300 -0.388 0.000 1.097 570 M CB -2.101 30.302 32.600 -0.329 0.000 1.382 570 M HN 0.011 nan 8.290 nan 0.000 0.413 571 P HA -0.160 nan 4.420 nan 0.000 0.218 571 P C 1.489 178.640 177.300 -0.247 0.000 1.149 571 P CA 1.137 63.944 63.100 -0.488 0.000 0.817 571 P CB -0.235 31.385 31.700 -0.133 0.000 0.785 572 Y N -0.210 119.949 120.300 -0.234 0.000 2.201 572 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 572 Y C 1.932 177.731 175.900 -0.168 0.000 1.119 572 Y CA 1.055 59.070 58.100 -0.141 0.000 1.127 572 Y CB -1.119 37.299 38.460 -0.070 0.000 1.019 572 Y HN -0.286 nan 8.280 nan 0.000 0.514 573 L N -0.082 120.945 121.223 -0.326 0.000 1.971 573 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 573 L C 2.316 178.915 176.870 -0.451 0.000 1.072 573 L CA 2.027 56.627 54.840 -0.400 0.000 0.758 573 L CB -1.973 39.952 42.059 -0.224 0.000 0.889 573 L HN 0.391 nan 8.230 nan 0.000 0.433 574 Y N -0.015 119.851 120.300 -0.724 0.000 2.403 574 Y HA -0.249 4.301 4.550 -0.000 0.000 0.291 574 Y C 2.701 178.344 175.900 -0.429 0.000 1.143 574 Y CA 1.459 59.127 58.100 -0.719 0.000 1.257 574 Y CB -0.144 37.701 38.460 -1.024 0.000 0.984 574 Y HN 0.136 nan 8.280 nan 0.000 0.550 575 R N 0.551 120.845 120.500 -0.343 0.000 2.093 575 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 575 R C 1.797 177.937 176.300 -0.268 0.000 1.101 575 R CA 1.599 57.551 56.100 -0.247 0.000 0.979 575 R CB -0.336 29.868 30.300 -0.160 0.000 0.877 575 R HN 0.138 nan 8.270 nan 0.000 0.441 576 E N 0.293 120.285 120.200 -0.347 0.000 2.204 576 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 576 E C 1.730 178.217 176.600 -0.188 0.000 0.989 576 E CA 1.141 57.366 56.400 -0.292 0.000 0.824 576 E CB -0.206 29.254 29.700 -0.400 0.000 0.756 576 E HN 0.449 nan 8.360 nan 0.000 0.477 577 A N 1.441 124.151 122.820 -0.184 0.000 1.897 577 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 577 A C 2.399 179.962 177.584 -0.035 0.000 1.181 577 A CA 1.615 53.672 52.037 0.034 0.000 0.620 577 A CB -0.462 18.495 19.000 -0.072 0.000 0.821 577 A HN 0.250 nan 8.150 nan 0.000 0.443 578 A N -0.570 122.113 122.820 -0.228 0.000 2.070 578 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 578 A C 2.177 179.701 177.584 -0.101 0.000 1.159 578 A CA 1.516 53.455 52.037 -0.163 0.000 0.656 578 A CB -0.419 18.473 19.000 -0.179 0.000 0.800 578 A HN 0.527 nan 8.150 nan 0.000 0.453 579 R N -0.663 119.766 120.500 -0.118 0.000 2.075 579 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 579 R C 2.451 178.679 176.300 -0.121 0.000 1.126 579 R CA 1.176 57.207 56.100 -0.114 0.000 0.963 579 R CB -0.342 29.882 30.300 -0.128 0.000 0.858 579 R HN 0.498 nan 8.270 nan 0.000 0.435 580 A N 1.140 123.874 122.820 -0.142 0.000 1.902 580 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 580 A C 1.915 179.422 177.584 -0.128 0.000 1.181 580 A CA 1.654 53.566 52.037 -0.208 0.000 0.623 580 A CB -0.795 17.935 19.000 -0.450 0.000 0.818 580 A HN 0.450 nan 8.150 nan 0.000 0.443 581 N N 0.164 118.845 118.700 -0.033 0.000 2.244 581 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 581 N C 1.688 177.161 175.510 -0.062 0.000 1.016 581 N CA 1.377 54.419 53.050 -0.015 0.000 0.866 581 N CB -0.127 38.379 38.487 0.031 0.000 0.980 581 N HN 0.387 nan 8.380 nan 0.000 0.430 582 A N 0.338 123.115 122.820 -0.071 0.000 1.997 582 A HA 0.194 4.514 4.320 -0.000 0.000 0.212 582 A C 1.939 179.470 177.584 -0.089 0.000 1.178 582 A CA 0.270 52.263 52.037 -0.073 0.000 0.698 582 A CB 0.225 19.188 19.000 -0.063 0.000 0.842 582 A HN 0.239 nan 8.150 nan 0.000 0.458 583 R N -2.046 118.393 120.500 -0.102 0.000 2.531 583 R HA 0.262 4.602 4.340 -0.000 0.000 0.316 583 R C 0.957 177.181 176.300 -0.127 0.000 0.955 583 R CA 0.523 56.560 56.100 -0.106 0.000 1.120 583 R CB 0.726 30.970 30.300 -0.094 0.000 1.361 583 R HN 0.615 nan 8.270 nan 0.000 0.534 584 G N 1.504 110.213 108.800 -0.152 0.000 2.162 584 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 584 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 584 G C 0.159 174.954 174.900 -0.176 0.000 0.976 584 G CA 0.517 45.508 45.100 -0.181 0.000 0.655 584 G HN 0.257 nan 8.290 nan 0.000 0.533 585 T N 3.991 118.447 114.554 -0.164 0.000 2.738 585 T HA 0.471 4.821 4.350 -0.000 0.000 0.293 585 T C -1.545 173.034 174.700 -0.202 0.000 0.913 585 T CA -0.334 61.671 62.100 -0.158 0.000 1.103 585 T CB 1.823 70.610 68.868 -0.136 0.000 0.880 585 T HN 0.332 nan 8.240 nan 0.000 0.526 586 P HA 0.119 nan 4.420 nan 0.000 0.269 586 P C 0.784 177.974 177.300 -0.182 0.000 1.215 586 P CA -0.288 62.670 63.100 -0.236 0.000 0.780 586 P CB 0.847 32.445 31.700 -0.169 0.000 0.898 587 M N 0.904 120.388 119.600 -0.193 0.000 2.175 587 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 587 M C 1.465 177.795 176.300 0.049 0.000 1.063 587 M CA 1.698 56.967 55.300 -0.052 0.000 1.119 587 M CB -0.094 32.538 32.600 0.054 0.000 1.377 587 M HN 0.388 nan 8.290 nan 0.000 0.415 588 M N 1.394 121.021 119.600 0.044 0.000 2.069 588 M HA 0.264 4.744 4.480 -0.000 0.000 0.349 588 M C -0.967 175.337 176.300 0.006 0.000 1.194 588 M CA -0.061 55.281 55.300 0.070 0.000 1.081 588 M CB 0.457 33.029 32.600 -0.048 0.000 1.500 588 M HN 0.003 nan 8.290 nan 0.000 0.438 589 R N 3.449 124.001 120.500 0.086 0.000 2.589 589 R HA 0.730 5.070 4.340 -0.000 0.000 0.293 589 R C -0.446 175.883 176.300 0.048 0.000 0.963 589 R CA -0.766 55.343 56.100 0.015 0.000 0.905 589 R CB 1.599 31.892 30.300 -0.011 0.000 1.144 589 R HN 0.769 nan 8.270 nan 0.000 0.459 590 A N 3.204 126.004 122.820 -0.034 0.000 2.407 590 A HA 0.135 4.455 4.320 -0.000 0.000 0.248 590 A C 1.251 178.834 177.584 -0.002 0.000 1.082 590 A CA -0.433 51.587 52.037 -0.028 0.000 0.785 590 A CB 0.262 19.188 19.000 -0.124 0.000 1.020 590 A HN 0.774 nan 8.150 nan 0.000 0.489 591 M N 1.926 121.563 119.600 0.061 0.000 2.106 591 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 591 M C 2.048 178.408 176.300 0.100 0.000 1.068 591 M CA 2.455 57.844 55.300 0.149 0.000 1.100 591 M CB -1.563 31.117 32.600 0.133 0.000 1.351 591 M HN 1.011 nan 8.290 nan 0.000 0.404 592 M N -1.085 118.490 119.600 -0.041 0.000 2.346 592 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 592 M C 1.985 178.181 176.300 -0.173 0.000 1.064 592 M CA 1.787 57.008 55.300 -0.132 0.000 1.083 592 M CB -0.980 31.424 32.600 -0.326 0.000 1.399 592 M HN 0.273 nan 8.290 nan 0.000 0.435 593 M N -0.651 118.839 119.600 -0.184 0.000 2.334 593 M HA -0.034 4.446 4.480 -0.000 0.000 0.266 593 M C 1.719 177.911 176.300 -0.180 0.000 1.082 593 M CA 1.536 56.723 55.300 -0.188 0.000 1.141 593 M CB 0.074 32.566 32.600 -0.180 0.000 1.380 593 M HN 0.423 nan 8.290 nan 0.000 0.440 594 E N 0.044 120.127 120.200 -0.196 0.000 2.190 594 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 594 E C -0.403 175.762 176.600 -0.726 0.000 0.978 594 E CA 0.930 57.058 56.400 -0.454 0.000 0.839 594 E CB 0.260 29.654 29.700 -0.509 0.000 0.787 594 E HN 0.474 nan 8.360 nan 0.000 0.473 595 F N 1.057 121.009 119.950 0.003 0.000 2.523 595 F HA 0.330 4.857 4.527 -0.000 0.000 0.322 595 F C -1.731 174.059 175.800 -0.016 0.000 1.361 595 F CA -1.869 56.143 58.000 0.020 0.000 1.151 595 F CB 1.609 40.651 39.000 0.070 0.000 1.391 595 F HN -0.020 nan 8.300 nan 0.000 0.566 596 P HA -0.157 nan 4.420 nan 0.000 0.223 596 P C 0.367 177.685 177.300 0.030 0.000 1.144 596 P CA 1.460 64.559 63.100 -0.001 0.000 0.783 596 P CB 0.447 32.120 31.700 -0.044 0.000 0.771 597 D N -1.006 119.439 120.400 0.075 0.000 2.379 597 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 597 D C 0.304 176.648 176.300 0.073 0.000 1.065 597 D CA 0.269 54.308 54.000 0.065 0.000 0.848 597 D CB 0.027 40.867 40.800 0.067 0.000 0.949 597 D HN 0.150 nan 8.370 nan 0.000 0.509 598 D N 2.262 122.722 120.400 0.101 0.000 2.365 598 D HA 0.044 4.684 4.640 -0.000 0.000 0.237 598 D C -1.346 174.954 176.300 0.001 0.000 1.190 598 D CA -1.932 52.109 54.000 0.069 0.000 0.867 598 D CB 1.622 42.482 40.800 0.101 0.000 1.050 598 D HN -0.022 nan 8.370 nan 0.000 0.491 599 P HA -0.098 nan 4.420 nan 0.000 0.229 599 P C 0.624 177.889 177.300 -0.058 0.000 1.150 599 P CA 0.434 63.524 63.100 -0.017 0.000 0.765 599 P CB 0.294 31.998 31.700 0.006 0.000 0.783 600 A N -1.298 121.422 122.820 -0.167 0.000 2.267 600 A HA 0.109 4.429 4.320 -0.000 0.000 0.213 600 A C 1.889 179.238 177.584 -0.391 0.000 1.192 600 A CA 0.241 52.072 52.037 -0.343 0.000 0.851 600 A CB -0.842 17.703 19.000 -0.760 0.000 0.881 600 A HN 0.258 nan 8.150 nan 0.000 0.494 601 C N 0.046 119.204 119.300 -0.238 0.000 2.791 601 C HA 0.119 4.579 4.460 -0.000 0.000 0.270 601 C C 1.620 176.583 174.990 -0.046 0.000 1.257 601 C CA -0.377 58.565 59.018 -0.127 0.000 1.699 601 C CB -0.873 26.856 27.740 -0.019 0.000 1.904 601 C HN 0.536 nan 8.230 nan 0.000 0.603 602 D N 1.200 121.567 120.400 -0.056 0.000 2.092 602 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 602 D C 0.895 177.084 176.300 -0.186 0.000 0.994 602 D CA 1.713 55.629 54.000 -0.140 0.000 0.828 602 D CB -0.162 40.460 40.800 -0.296 0.000 0.963 602 D HN 0.567 nan 8.370 nan 0.000 0.450 603 Y N 0.190 120.531 120.300 0.068 0.000 2.532 603 Y HA 0.282 4.832 4.550 -0.000 0.000 0.283 603 Y C 0.431 176.372 175.900 0.067 0.000 1.181 603 Y CA -0.354 57.781 58.100 0.058 0.000 1.256 603 Y CB -0.063 38.405 38.460 0.014 0.000 1.112 603 Y HN -0.202 nan 8.280 nan 0.000 0.521 604 L N 2.552 123.875 121.223 0.166 0.000 2.433 604 L HA 0.073 4.413 4.340 -0.000 0.000 0.275 604 L C 0.370 177.303 176.870 0.105 0.000 1.128 604 L CA 0.198 55.118 54.840 0.132 0.000 0.875 604 L CB 0.528 42.623 42.059 0.060 0.000 1.171 604 L HN 0.334 nan 8.230 nan 0.000 0.463 605 D N 1.374 121.831 120.400 0.095 0.000 2.514 605 D HA -0.013 4.627 4.640 -0.000 0.000 0.225 605 D C 1.227 177.540 176.300 0.022 0.000 1.159 605 D CA -0.083 53.944 54.000 0.044 0.000 0.823 605 D CB 0.302 41.112 40.800 0.017 0.000 1.097 605 D HN 0.336 nan 8.370 nan 0.000 0.519 606 R N 0.350 120.883 120.500 0.055 0.000 2.393 606 R HA 0.218 4.558 4.340 -0.000 0.000 0.244 606 R C 0.327 176.741 176.300 0.190 0.000 0.920 606 R CA 0.123 56.268 56.100 0.075 0.000 1.076 606 R CB 0.399 30.723 30.300 0.039 0.000 1.119 606 R HN 0.444 nan 8.270 nan 0.000 0.524 607 Q N -0.283 119.612 119.800 0.158 0.000 2.590 607 Q HA 0.446 4.786 4.340 -0.000 0.000 0.295 607 Q C -1.401 174.733 176.000 0.224 0.000 0.973 607 Q CA -1.207 54.666 55.803 0.116 0.000 0.768 607 Q CB 1.662 30.397 28.738 -0.006 0.000 1.479 607 Q HN 0.073 nan 8.270 nan 0.000 0.419 608 Y N -2.195 118.104 120.300 -0.002 0.000 2.702 608 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 608 Y C -1.605 174.328 175.900 0.055 0.000 1.203 608 Y CA -1.587 56.529 58.100 0.026 0.000 1.072 608 Y CB 1.260 39.739 38.460 0.032 0.000 1.327 608 Y HN 0.521 nan 8.280 nan 0.000 0.456 609 M N 3.257 122.988 119.600 0.219 0.000 2.113 609 M HA 0.296 4.776 4.480 -0.000 0.000 0.352 609 M C -1.063 175.387 176.300 0.251 0.000 1.170 609 M CA -0.697 54.701 55.300 0.164 0.000 1.053 609 M CB 1.129 33.827 32.600 0.164 0.000 1.601 609 M HN 0.726 nan 8.290 nan 0.000 0.459 610 L N 4.748 126.098 121.223 0.211 0.000 2.302 610 L HA 0.597 4.937 4.340 -0.000 0.000 0.285 610 L C 0.586 177.593 176.870 0.228 0.000 1.090 610 L CA 0.834 55.847 54.840 0.289 0.000 0.866 610 L CB -0.446 41.792 42.059 0.299 0.000 1.244 610 L HN 0.952 nan 8.230 nan 0.000 0.435 611 G N 3.943 112.816 108.800 0.120 0.000 2.693 611 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.226 611 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.226 611 G C 0.352 175.308 174.900 0.093 0.000 1.354 611 G CA -0.020 45.090 45.100 0.016 0.000 0.873 611 G HN 0.504 nan 8.290 nan 0.000 0.562 612 D N 0.481 120.932 120.400 0.083 0.000 2.144 612 D HA -0.060 4.580 4.640 -0.000 0.000 0.200 612 D C 1.980 178.350 176.300 0.117 0.000 0.978 612 D CA 1.537 55.576 54.000 0.065 0.000 0.833 612 D CB -0.045 40.778 40.800 0.037 0.000 0.961 612 D HN 0.383 nan 8.370 nan 0.000 0.470 613 N N -0.028 118.804 118.700 0.220 0.000 2.205 613 N HA 0.032 4.772 4.740 -0.000 0.000 0.201 613 N C 0.025 175.568 175.510 0.056 0.000 1.128 613 N CA 0.019 53.113 53.050 0.073 0.000 0.867 613 N CB 2.156 40.599 38.487 -0.073 0.000 0.996 613 N HN 0.039 nan 8.380 nan 0.000 0.503 614 V N 1.605 121.609 119.914 0.149 0.000 2.588 614 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 614 V C -1.004 175.159 176.094 0.116 0.000 1.042 614 V CA -0.807 61.553 62.300 0.101 0.000 0.877 614 V CB 2.333 34.145 31.823 -0.018 0.000 0.996 614 V HN -0.055 nan 8.190 nan 0.000 0.425 615 M N 7.784 127.433 119.600 0.081 0.000 2.180 615 M HA 0.578 5.058 4.480 -0.000 0.000 0.350 615 M C -1.451 174.675 176.300 -0.289 0.000 1.125 615 M CA -0.366 54.867 55.300 -0.112 0.000 1.031 615 M CB 1.118 33.569 32.600 -0.249 0.000 1.623 615 M HN 0.754 nan 8.290 nan 0.000 0.451 616 V N 5.179 124.802 119.914 -0.486 0.000 2.540 616 V HA 0.923 5.043 4.120 -0.000 0.000 0.302 616 V C -1.169 174.582 176.094 -0.571 0.000 1.035 616 V CA -0.342 61.631 62.300 -0.546 0.000 0.873 616 V CB 1.609 33.127 31.823 -0.508 0.000 0.992 616 V HN 0.990 nan 8.190 nan 0.000 0.428 617 A N 7.576 130.143 122.820 -0.421 0.000 2.431 617 A HA 0.841 5.161 4.320 -0.000 0.000 0.318 617 A C -2.745 174.692 177.584 -0.246 0.000 1.330 617 A CA -1.737 50.134 52.037 -0.277 0.000 0.804 617 A CB 0.657 19.469 19.000 -0.313 0.000 1.135 617 A HN 0.750 nan 8.150 nan 0.000 0.483 618 P HA 0.122 nan 4.420 nan 0.000 0.267 618 P C -0.274 176.694 177.300 -0.553 0.000 1.201 618 P CA 0.115 62.942 63.100 -0.455 0.000 0.775 618 P CB 0.712 31.940 31.700 -0.787 0.000 0.854 619 V N 3.817 123.428 119.914 -0.506 0.000 2.383 619 V HA 0.179 4.298 4.120 -0.000 0.000 0.275 619 V C 0.379 176.134 176.094 -0.565 0.000 1.036 619 V CA 0.255 62.340 62.300 -0.358 0.000 0.889 619 V CB 0.134 31.857 31.823 -0.167 0.000 0.985 619 V HN 0.453 nan 8.190 nan 0.000 0.459 620 F N 2.690 122.486 119.950 -0.257 0.000 2.684 620 F HA 0.262 4.789 4.527 -0.000 0.000 0.298 620 F C 1.140 176.343 175.800 -0.995 0.000 1.120 620 F CA -0.225 57.462 58.000 -0.522 0.000 1.332 620 F CB 0.414 39.263 39.000 -0.252 0.000 0.986 620 F HN 0.589 nan 8.300 nan 0.000 0.524 621 T N -4.758 109.427 114.554 -0.616 0.000 2.883 621 T HA 0.307 4.657 4.350 -0.000 0.000 0.296 621 T C 0.665 175.297 174.700 -0.112 0.000 1.117 621 T CA -0.665 61.194 62.100 -0.402 0.000 1.006 621 T CB 2.430 71.235 68.868 -0.104 0.000 1.191 621 T HN 0.139 nan 8.240 nan 0.000 0.508 622 E N 0.392 120.645 120.200 0.089 0.000 2.060 622 E HA 0.059 4.409 4.350 -0.000 0.000 0.189 622 E C 2.248 178.869 176.600 0.035 0.000 0.974 622 E CA 0.800 57.284 56.400 0.139 0.000 0.808 622 E CB -0.404 29.147 29.700 -0.248 0.000 0.768 622 E HN 0.785 nan 8.360 nan 0.000 0.453 623 A N 0.269 123.085 122.820 -0.007 0.000 2.131 623 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 623 A C 1.881 179.427 177.584 -0.063 0.000 1.158 623 A CA 1.592 53.611 52.037 -0.031 0.000 0.665 623 A CB -0.811 18.186 19.000 -0.005 0.000 0.795 623 A HN 0.572 nan 8.150 nan 0.000 0.460 624 G N -1.173 107.594 108.800 -0.054 0.000 2.175 624 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 624 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 624 G C -0.224 174.704 174.900 0.046 0.000 0.982 624 G CA 0.162 45.241 45.100 -0.034 0.000 0.641 624 G HN 0.532 nan 8.290 nan 0.000 0.527 625 D N 0.200 120.623 120.400 0.038 0.000 2.455 625 D HA 0.431 5.071 4.640 -0.000 0.000 0.241 625 D C 0.167 176.525 176.300 0.097 0.000 1.138 625 D CA 1.041 55.086 54.000 0.076 0.000 0.877 625 D CB 2.189 43.018 40.800 0.049 0.000 1.187 625 D HN 0.566 nan 8.370 nan 0.000 0.451 626 V N 1.817 121.829 119.914 0.163 0.000 3.077 626 V HA 0.243 4.363 4.120 -0.000 0.000 0.299 626 V C -1.801 174.470 176.094 0.296 0.000 1.276 626 V CA -0.594 61.832 62.300 0.209 0.000 0.993 626 V CB 2.377 34.302 31.823 0.170 0.000 1.076 626 V HN 0.492 nan 8.190 nan 0.000 0.434 627 Q N 4.608 124.607 119.800 0.332 0.000 2.375 627 Q HA 0.777 5.117 4.340 -0.000 0.000 0.271 627 Q C -1.608 174.703 176.000 0.519 0.000 1.074 627 Q CA -0.495 55.520 55.803 0.354 0.000 0.808 627 Q CB 2.767 31.685 28.738 0.300 0.000 1.327 627 Q HN 0.741 nan 8.270 nan 0.000 0.441 628 F N -1.091 118.991 119.950 0.220 0.000 2.668 628 F HA 0.583 5.110 4.527 -0.000 0.000 0.309 628 F C -1.820 173.596 175.800 -0.641 0.000 1.117 628 F CA -1.347 56.527 58.000 -0.209 0.000 0.951 628 F CB 1.000 39.899 39.000 -0.169 0.000 1.323 628 F HN 0.487 nan 8.300 nan 0.000 0.451 629 Y N 2.458 122.094 120.300 -1.107 0.000 2.387 629 Y HA 0.769 5.319 4.550 -0.000 0.000 0.336 629 Y C -1.798 173.695 175.900 -0.678 0.000 1.067 629 Y CA -1.247 56.106 58.100 -1.245 0.000 1.114 629 Y CB 1.487 38.995 38.460 -1.587 0.000 1.208 629 Y HN 0.733 nan 8.280 nan 0.000 0.458 630 L N 8.404 128.714 121.223 -1.521 0.000 2.341 630 L HA 0.595 4.935 4.340 -0.000 0.000 0.278 630 L C -2.369 173.655 176.870 -1.410 0.000 1.005 630 L CA -2.829 51.210 54.840 -1.335 0.000 0.818 630 L CB 1.563 42.999 42.059 -1.037 0.000 1.259 630 L HN 0.601 nan 8.230 nan 0.000 0.418 631 P HA 0.107 nan 4.420 nan 0.000 0.277 631 P C -0.691 176.569 177.300 -0.066 0.000 1.276 631 P CA -0.627 62.205 63.100 -0.447 0.000 0.788 631 P CB 0.449 31.536 31.700 -1.021 0.000 1.114 632 E N 0.122 120.318 120.200 -0.006 0.000 2.502 632 E HA 0.286 4.636 4.350 -0.000 0.000 0.261 632 E C 0.121 176.775 176.600 0.090 0.000 0.974 632 E CA 0.546 56.982 56.400 0.060 0.000 0.936 632 E CB -0.514 29.220 29.700 0.057 0.000 0.926 632 E HN 0.639 nan 8.360 nan 0.000 0.459 633 G N 3.006 111.840 108.800 0.057 0.000 2.381 633 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.672 633 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.672 633 G C -1.188 173.702 174.900 -0.016 0.000 1.324 633 G CA -0.475 44.589 45.100 -0.060 0.000 0.975 633 G HN 0.664 nan 8.290 nan 0.000 0.593 634 R N -0.340 120.096 120.500 -0.107 0.000 2.229 634 R HA 0.595 4.935 4.340 -0.000 0.000 0.332 634 R C -0.770 175.477 176.300 -0.089 0.000 0.989 634 R CA -0.713 55.386 56.100 -0.001 0.000 0.842 634 R CB 0.533 30.841 30.300 0.014 0.000 1.119 634 R HN 0.486 nan 8.270 nan 0.000 0.456 635 W N 2.291 123.568 121.300 -0.038 0.000 2.448 635 W HA 0.392 5.052 4.660 -0.000 0.000 0.339 635 W C -0.217 176.386 176.519 0.140 0.000 1.124 635 W CA -0.349 56.998 57.345 0.003 0.000 1.262 635 W CB 2.016 31.414 29.460 -0.102 0.000 1.251 635 W HN 0.351 nan 8.180 nan 0.000 0.597 636 T N 1.929 116.742 114.554 0.432 0.000 2.841 636 T HA 0.080 4.430 4.350 -0.000 0.000 0.285 636 T C -0.697 174.206 174.700 0.339 0.000 0.991 636 T CA -0.620 61.743 62.100 0.438 0.000 0.966 636 T CB 0.749 69.907 68.868 0.484 0.000 0.962 636 T HN 0.267 nan 8.240 nan 0.000 0.438 637 H N 3.380 122.512 119.070 0.104 0.000 3.004 637 H HA 0.041 4.597 4.556 -0.000 0.000 0.316 637 H C 1.046 176.234 175.328 -0.234 0.000 1.014 637 H CA -0.432 55.317 56.048 -0.498 0.000 1.454 637 H CB 0.733 30.142 29.762 -0.588 0.000 1.472 637 H HN 0.525 nan 8.280 nan 0.000 0.571 638 L N 6.164 127.166 121.223 -0.368 0.000 2.197 638 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 638 L C 1.432 178.486 176.870 0.306 0.000 1.095 638 L CA 2.299 57.136 54.840 -0.005 0.000 0.764 638 L CB -0.395 41.645 42.059 -0.030 0.000 0.897 638 L HN 0.852 nan 8.230 nan 0.000 0.436 639 W N -5.665 115.813 121.300 0.298 0.000 1.952 639 W HA 0.289 4.949 4.660 -0.000 0.000 0.236 639 W C 1.618 178.145 176.519 0.013 0.000 0.880 639 W CA -0.177 57.235 57.345 0.111 0.000 1.095 639 W CB -0.627 28.853 29.460 0.033 0.000 0.933 639 W HN -0.100 nan 8.180 nan 0.000 0.553 640 H N 0.992 119.897 119.070 -0.276 0.000 2.525 640 H HA 0.109 4.665 4.556 -0.000 0.000 0.275 640 H C 0.775 176.068 175.328 -0.058 0.000 0.984 640 H CA 1.120 56.978 56.048 -0.317 0.000 1.264 640 H CB -0.031 29.238 29.762 -0.822 0.000 1.432 640 H HN 0.211 nan 8.280 nan 0.000 0.549 641 N N 1.123 119.921 118.700 0.163 0.000 2.900 641 N HA -0.169 4.571 4.740 -0.000 0.000 0.240 641 N C -0.537 175.087 175.510 0.189 0.000 0.953 641 N CA 1.061 54.230 53.050 0.198 0.000 0.950 641 N CB -0.865 37.719 38.487 0.163 0.000 1.102 641 N HN 0.617 nan 8.380 nan 0.000 0.593 642 D N 0.180 120.686 120.400 0.177 0.000 2.368 642 D HA 0.120 4.760 4.640 -0.000 0.000 0.240 642 D C 0.030 176.487 176.300 0.263 0.000 1.169 642 D CA 0.432 54.534 54.000 0.170 0.000 0.906 642 D CB 0.772 41.644 40.800 0.120 0.000 1.187 642 D HN 0.352 nan 8.370 nan 0.000 0.435 643 E N -0.359 119.953 120.200 0.187 0.000 2.299 643 E HA 0.675 5.025 4.350 -0.000 0.000 0.265 643 E C -0.687 175.957 176.600 0.073 0.000 0.911 643 E CA -0.933 55.575 56.400 0.180 0.000 0.789 643 E CB 2.243 32.026 29.700 0.138 0.000 1.246 643 E HN 0.350 nan 8.360 nan 0.000 0.427 644 L N 1.102 122.339 121.223 0.023 0.000 2.434 644 L HA 0.390 4.730 4.340 -0.000 0.000 0.260 644 L C -1.084 175.809 176.870 0.038 0.000 0.983 644 L CA -1.089 53.681 54.840 -0.118 0.000 0.820 644 L CB 2.213 43.923 42.059 -0.582 0.000 1.361 644 L HN 0.397 nan 8.230 nan 0.000 0.410 645 D N 1.547 122.000 120.400 0.089 0.000 2.264 645 D HA 0.325 4.965 4.640 -0.000 0.000 0.250 645 D C 0.279 176.665 176.300 0.144 0.000 1.113 645 D CA 0.069 54.140 54.000 0.119 0.000 0.871 645 D CB 2.206 43.053 40.800 0.078 0.000 1.167 645 D HN 0.670 nan 8.370 nan 0.000 0.447 646 G N 0.046 108.932 108.800 0.144 0.000 2.516 646 G HA2 0.228 4.188 3.960 -0.000 0.000 0.276 646 G HA3 0.228 4.188 3.960 -0.000 0.000 0.276 646 G C 0.517 175.336 174.900 -0.135 0.000 1.390 646 G CA 0.155 45.270 45.100 0.026 0.000 1.050 646 G HN 0.554 nan 8.290 nan 0.000 0.519 647 S N -2.112 113.425 115.700 -0.272 0.000 3.561 647 S HA -0.199 4.271 4.470 -0.000 0.000 0.318 647 S C 0.435 174.947 174.600 -0.146 0.000 1.181 647 S CA 2.000 60.108 58.200 -0.152 0.000 0.916 647 S CB -1.275 61.924 63.200 -0.001 0.000 0.966 647 S HN 1.412 nan 8.310 nan 0.000 0.550 648 R N -1.678 118.529 120.500 -0.488 0.000 2.728 648 R HA 0.574 4.914 4.340 -0.000 0.000 0.274 648 R C -1.334 174.629 176.300 -0.562 0.000 1.030 648 R CA -1.156 54.767 56.100 -0.295 0.000 0.876 648 R CB -0.030 30.102 30.300 -0.279 0.000 1.259 648 R HN 0.184 nan 8.270 nan 0.000 0.468 649 W N 1.070 122.143 121.300 -0.378 0.000 2.313 649 W HA 0.434 5.094 4.660 -0.000 0.000 0.328 649 W C 0.287 176.357 176.519 -0.748 0.000 1.197 649 W CA 0.432 57.528 57.345 -0.415 0.000 1.235 649 W CB 0.913 30.262 29.460 -0.186 0.000 1.158 649 W HN 0.313 nan 8.180 nan 0.000 0.578 650 H N 1.528 120.348 119.070 -0.417 0.000 2.747 650 H HA 0.357 4.913 4.556 -0.000 0.000 0.371 650 H C -1.080 173.979 175.328 -0.448 0.000 1.161 650 H CA -1.140 54.576 56.048 -0.554 0.000 1.167 650 H CB 2.467 31.654 29.762 -0.958 0.000 1.732 650 H HN 0.247 nan 8.280 nan 0.000 0.544 651 K N 2.170 122.531 120.400 -0.066 0.000 2.413 651 K HA 0.351 4.671 4.320 -0.000 0.000 0.257 651 K C -1.000 175.662 176.600 0.103 0.000 0.946 651 K CA -0.381 55.923 56.287 0.029 0.000 0.823 651 K CB 1.463 33.978 32.500 0.025 0.000 1.109 651 K HN 0.590 nan 8.250 nan 0.000 0.427 652 Q N 1.826 121.755 119.800 0.216 0.000 2.605 652 Q HA 0.297 4.637 4.340 -0.000 0.000 0.296 652 Q C -1.625 174.520 176.000 0.242 0.000 1.056 652 Q CA -1.057 54.896 55.803 0.250 0.000 0.778 652 Q CB 2.872 31.907 28.738 0.494 0.000 1.497 652 Q HN 0.534 nan 8.270 nan 0.000 0.443 653 Q N 0.991 120.875 119.800 0.140 0.000 2.275 653 Q HA 0.328 4.668 4.340 -0.000 0.000 0.266 653 Q C -1.684 174.328 176.000 0.020 0.000 1.002 653 Q CA -0.242 55.629 55.803 0.114 0.000 0.761 653 Q CB 1.242 29.992 28.738 0.021 0.000 1.255 653 Q HN 0.659 nan 8.270 nan 0.000 0.446 654 H N 1.478 120.536 119.070 -0.020 0.000 2.670 654 H HA 0.523 5.079 4.556 -0.000 0.000 0.361 654 H C 0.037 175.299 175.328 -0.110 0.000 1.169 654 H CA -0.832 55.198 56.048 -0.030 0.000 1.198 654 H CB 2.094 31.877 29.762 0.035 0.000 1.700 654 H HN 0.791 nan 8.280 nan 0.000 0.542 655 G N -0.016 108.797 108.800 0.023 0.000 2.557 655 G HA2 0.164 4.124 3.960 -0.000 0.000 0.292 655 G HA3 0.164 4.124 3.960 -0.000 0.000 0.292 655 G C 0.069 174.925 174.900 -0.073 0.000 1.237 655 G CA -0.478 44.541 45.100 -0.135 0.000 0.978 655 G HN 0.466 nan 8.290 nan 0.000 0.498 656 F N -1.042 119.013 119.950 0.175 0.000 2.494 656 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 656 F C 1.964 177.902 175.800 0.229 0.000 1.106 656 F CA 0.546 58.667 58.000 0.202 0.000 1.452 656 F CB -0.118 38.999 39.000 0.195 0.000 1.085 656 F HN 0.036 nan 8.300 nan 0.000 0.569 657 L N -1.451 119.921 121.223 0.248 0.000 2.818 657 L HA 0.233 4.573 4.340 -0.000 0.000 0.243 657 L C 0.424 177.332 176.870 0.063 0.000 1.185 657 L CA 0.179 55.000 54.840 -0.031 0.000 0.988 657 L CB 0.017 41.834 42.059 -0.402 0.000 1.292 657 L HN -0.055 nan 8.230 nan 0.000 0.519 658 S N 0.554 116.509 115.700 0.425 0.000 2.556 658 S HA 0.899 5.369 4.470 -0.000 0.000 0.271 658 S C -1.285 173.604 174.600 0.482 0.000 1.135 658 S CA -0.617 57.973 58.200 0.650 0.000 0.858 658 S CB 1.315 64.912 63.200 0.662 0.000 1.114 658 S HN 0.159 nan 8.310 nan 0.000 0.468 659 L N -0.028 121.411 121.223 0.360 0.000 2.710 659 L HA 0.727 5.067 4.340 -0.000 0.000 0.260 659 L C -3.181 173.523 176.870 -0.277 0.000 0.993 659 L CA -2.293 52.416 54.840 -0.219 0.000 0.877 659 L CB 1.649 43.654 42.059 -0.090 0.000 1.461 659 L HN 0.342 nan 8.230 nan 0.000 0.413 660 P HA 0.185 nan 4.420 nan 0.000 0.264 660 P C -0.957 176.000 177.300 -0.572 0.000 1.229 660 P CA 0.153 62.949 63.100 -0.507 0.000 0.780 660 P CB 0.738 31.851 31.700 -0.978 0.000 0.808 661 V N 5.794 125.154 119.914 -0.923 0.000 2.439 661 V HA 0.297 4.417 4.120 -0.000 0.000 0.277 661 V C -0.789 174.663 176.094 -1.070 0.000 1.008 661 V CA -0.583 61.256 62.300 -0.768 0.000 0.846 661 V CB 0.184 31.675 31.823 -0.553 0.000 1.031 661 V HN 0.362 nan 8.190 nan 0.000 0.441 662 Y N 2.268 122.320 120.300 -0.414 0.000 2.409 662 Y HA 0.696 5.246 4.550 -0.000 0.000 0.339 662 Y C 0.175 176.110 175.900 0.059 0.000 1.033 662 Y CA -0.925 57.075 58.100 -0.167 0.000 1.094 662 Y CB 2.265 40.686 38.460 -0.065 0.000 1.210 662 Y HN 0.379 nan 8.280 nan 0.000 0.456 663 V N 4.161 124.110 119.914 0.059 0.000 2.427 663 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 663 V C 0.009 175.892 176.094 -0.350 0.000 1.034 663 V CA -1.426 60.715 62.300 -0.264 0.000 0.893 663 V CB 1.160 32.381 31.823 -1.004 0.000 0.982 663 V HN 0.714 nan 8.190 nan 0.000 0.452 664 R N 2.134 122.263 120.500 -0.619 0.000 2.784 664 R HA 0.241 4.581 4.340 -0.000 0.000 0.266 664 R C -0.220 175.715 176.300 -0.608 0.000 1.044 664 R CA -0.516 54.912 56.100 -1.120 0.000 1.151 664 R CB 0.222 30.050 30.300 -0.787 0.000 1.037 664 R HN 0.905 nan 8.270 nan 0.000 0.478 665 D N 0.442 120.494 120.400 -0.579 0.000 2.377 665 D HA -0.005 4.635 4.640 -0.000 0.000 0.245 665 D C -0.106 176.062 176.300 -0.219 0.000 1.196 665 D CA -0.595 53.239 54.000 -0.276 0.000 0.962 665 D CB 0.266 40.917 40.800 -0.248 0.000 1.127 665 D HN 0.497 nan 8.370 nan 0.000 0.471 666 N N -1.283 117.344 118.700 -0.123 0.000 2.754 666 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 666 N C -0.977 174.500 175.510 -0.055 0.000 1.093 666 N CA 0.948 53.930 53.050 -0.114 0.000 0.699 666 N CB -1.619 36.703 38.487 -0.274 0.000 1.016 666 N HN 0.582 nan 8.380 nan 0.000 0.552 667 T N 0.913 115.477 114.554 0.017 0.000 2.829 667 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 667 T C -0.013 174.804 174.700 0.195 0.000 0.999 667 T CA -0.553 61.579 62.100 0.054 0.000 0.983 667 T CB 2.369 71.204 68.868 -0.055 0.000 0.968 667 T HN 0.135 nan 8.240 nan 0.000 0.446 668 L N 4.566 125.883 121.223 0.157 0.000 2.337 668 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 668 L C -1.190 175.833 176.870 0.256 0.000 1.018 668 L CA -0.806 54.163 54.840 0.216 0.000 0.876 668 L CB 0.500 42.636 42.059 0.127 0.000 1.236 668 L HN 0.502 nan 8.230 nan 0.000 0.436 669 L N 4.334 125.753 121.223 0.326 0.000 2.334 669 L HA 0.809 5.149 4.340 -0.000 0.000 0.277 669 L C -0.038 176.987 176.870 0.260 0.000 1.075 669 L CA -0.025 54.940 54.840 0.209 0.000 0.804 669 L CB 1.513 43.652 42.059 0.134 0.000 1.174 669 L HN 0.704 nan 8.230 nan 0.000 0.438 670 A N 5.361 128.263 122.820 0.137 0.000 2.287 670 A HA 0.721 5.041 4.320 -0.000 0.000 0.317 670 A C -1.223 176.349 177.584 -0.019 0.000 1.220 670 A CA -0.461 51.553 52.037 -0.039 0.000 0.835 670 A CB 0.500 19.435 19.000 -0.110 0.000 1.180 670 A HN 0.538 nan 8.150 nan 0.000 0.500 671 L N 1.782 122.995 121.223 -0.017 0.000 2.330 671 L HA 0.760 5.100 4.340 -0.000 0.000 0.271 671 L C 0.914 177.823 176.870 0.065 0.000 1.013 671 L CA 0.066 54.924 54.840 0.030 0.000 0.816 671 L CB 1.915 43.988 42.059 0.023 0.000 1.287 671 L HN 0.798 nan 8.230 nan 0.000 0.435 672 G N 0.067 108.959 108.800 0.153 0.000 2.491 672 G HA2 0.352 4.312 3.960 -0.000 0.000 0.327 672 G HA3 0.352 4.312 3.960 -0.000 0.000 0.327 672 G C 0.106 175.094 174.900 0.146 0.000 1.189 672 G CA -0.448 44.823 45.100 0.286 0.000 0.956 672 G HN 0.710 nan 8.290 nan 0.000 0.491 673 N N -0.177 118.586 118.700 0.105 0.000 2.320 673 N HA 0.034 4.774 4.740 -0.000 0.000 0.237 673 N C -0.323 175.056 175.510 -0.218 0.000 1.129 673 N CA -0.443 52.586 53.050 -0.035 0.000 0.854 673 N CB 0.377 38.865 38.487 0.002 0.000 1.083 673 N HN 0.332 nan 8.380 nan 0.000 0.504 674 N N 1.101 119.532 118.700 -0.449 0.000 2.500 674 N HA 0.060 4.800 4.740 -0.000 0.000 0.291 674 N C -1.352 173.928 175.510 -0.383 0.000 1.092 674 N CA -0.284 52.394 53.050 -0.620 0.000 0.890 674 N CB 1.529 39.202 38.487 -1.357 0.000 1.466 674 N HN 0.190 nan 8.380 nan 0.000 0.507 675 D N 2.043 122.327 120.400 -0.194 0.000 2.559 675 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 675 D C 0.044 176.325 176.300 -0.032 0.000 1.226 675 D CA 0.129 54.072 54.000 -0.095 0.000 0.830 675 D CB 0.536 41.270 40.800 -0.109 0.000 1.028 675 D HN 0.345 nan 8.370 nan 0.000 0.492 676 Q N 0.457 120.245 119.800 -0.021 0.000 2.245 676 Q HA 0.189 4.529 4.340 -0.000 0.000 0.236 676 Q C 0.279 176.426 176.000 0.246 0.000 0.842 676 Q CA 0.288 56.136 55.803 0.074 0.000 0.945 676 Q CB 1.664 30.410 28.738 0.012 0.000 1.122 676 Q HN 0.522 nan 8.270 nan 0.000 0.506 677 R N -0.729 119.878 120.500 0.179 0.000 2.629 677 R HA 0.350 4.690 4.340 -0.000 0.000 0.266 677 R C -2.697 173.757 176.300 0.257 0.000 1.051 677 R CA -1.199 55.031 56.100 0.217 0.000 0.895 677 R CB 1.088 31.534 30.300 0.243 0.000 1.246 677 R HN -0.310 nan 8.270 nan 0.000 0.459 678 P HA -0.050 nan 4.420 nan 0.000 0.235 678 P C -0.691 176.852 177.300 0.405 0.000 1.177 678 P CA 0.822 64.105 63.100 0.305 0.000 0.785 678 P CB 0.156 31.950 31.700 0.155 0.000 0.885 679 D N 0.775 121.356 120.400 0.301 0.000 2.485 679 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 679 D C -0.257 176.055 176.300 0.020 0.000 1.112 679 D CA -0.827 53.229 54.000 0.094 0.000 0.911 679 D CB -0.147 40.718 40.800 0.107 0.000 1.019 679 D HN 0.245 nan 8.370 nan 0.000 0.516 680 Y N -1.582 118.499 120.300 -0.365 0.000 2.689 680 Y HA 0.457 5.007 4.550 -0.000 0.000 0.333 680 Y C -0.961 174.480 175.900 -0.766 0.000 1.190 680 Y CA -1.866 56.000 58.100 -0.391 0.000 1.063 680 Y CB 0.920 39.285 38.460 -0.158 0.000 1.294 680 Y HN -0.044 nan 8.280 nan 0.000 0.466 681 V N 4.258 123.952 119.914 -0.367 0.000 2.377 681 V HA -0.014 4.106 4.120 -0.000 0.000 0.254 681 V C 0.065 175.982 176.094 -0.295 0.000 1.060 681 V CA -0.184 61.854 62.300 -0.435 0.000 1.068 681 V CB -0.615 31.034 31.823 -0.290 0.000 1.113 681 V HN 0.842 nan 8.190 nan 0.000 0.484 682 W N 5.069 126.254 121.300 -0.191 0.000 2.425 682 W HA -0.084 4.576 4.660 -0.000 0.000 0.277 682 W C 1.933 178.459 176.519 0.011 0.000 1.231 682 W CA 1.152 58.405 57.345 -0.153 0.000 1.248 682 W CB -0.785 28.548 29.460 -0.211 0.000 1.117 682 W HN 0.970 nan 8.180 nan 0.000 0.568 683 H N -0.611 118.546 119.070 0.146 0.000 2.555 683 H HA 0.322 4.878 4.556 -0.000 0.000 0.283 683 H C -0.733 174.618 175.328 0.038 0.000 1.037 683 H CA 0.350 56.448 56.048 0.083 0.000 1.169 683 H CB -0.545 29.260 29.762 0.071 0.000 1.375 683 H HN 0.126 nan 8.280 nan 0.000 0.582 684 E N 0.206 120.313 120.200 -0.156 0.000 2.255 684 E HA 0.408 4.758 4.350 -0.000 0.000 0.256 684 E C -0.051 176.558 176.600 0.016 0.000 0.887 684 E CA -0.354 55.983 56.400 -0.105 0.000 0.782 684 E CB 1.744 31.310 29.700 -0.222 0.000 1.214 684 E HN 0.481 nan 8.360 nan 0.000 0.417 685 G N 2.797 111.639 108.800 0.071 0.000 2.159 685 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.227 685 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.227 685 G C 0.445 175.408 174.900 0.106 0.000 0.986 685 G CA -0.032 45.117 45.100 0.082 0.000 0.651 685 G HN 0.483 nan 8.290 nan 0.000 0.523 686 T N 1.032 115.649 114.554 0.106 0.000 2.933 686 T HA 0.441 4.791 4.350 -0.000 0.000 0.306 686 T C 0.625 175.333 174.700 0.013 0.000 1.045 686 T CA 0.934 63.025 62.100 -0.015 0.000 1.143 686 T CB 1.560 70.291 68.868 -0.227 0.000 1.003 686 T HN 1.546 nan 8.240 nan 0.000 0.540 687 A N 3.667 126.469 122.820 -0.031 0.000 2.508 687 A HA 0.616 4.936 4.320 -0.000 0.000 0.336 687 A C -0.219 177.446 177.584 0.135 0.000 1.360 687 A CA -0.784 51.318 52.037 0.109 0.000 0.841 687 A CB -0.178 18.939 19.000 0.195 0.000 1.136 687 A HN 0.686 nan 8.150 nan 0.000 0.489 688 F N 1.561 121.655 119.950 0.241 0.000 2.450 688 F HA 0.276 4.803 4.527 -0.000 0.000 0.339 688 F C 1.168 177.024 175.800 0.093 0.000 1.146 688 F CA 0.990 59.127 58.000 0.227 0.000 1.267 688 F CB 0.673 39.780 39.000 0.177 0.000 1.178 688 F HN 0.479 nan 8.300 nan 0.000 0.585 689 H N 3.106 122.337 119.070 0.268 0.000 2.924 689 H HA 0.281 4.837 4.556 -0.000 0.000 0.333 689 H C -1.270 174.059 175.328 0.002 0.000 0.979 689 H CA -0.934 55.143 56.048 0.047 0.000 1.326 689 H CB 2.126 31.888 29.762 -0.000 0.000 1.600 689 H HN 0.392 nan 8.280 nan 0.000 0.520 690 L N 3.745 124.942 121.223 -0.044 0.000 2.292 690 L HA 0.374 4.714 4.340 -0.000 0.000 0.284 690 L C -1.299 175.457 176.870 -0.189 0.000 1.065 690 L CA -0.028 54.814 54.840 0.003 0.000 0.806 690 L CB 0.150 42.214 42.059 0.008 0.000 1.175 690 L HN 0.341 nan 8.230 nan 0.000 0.431 691 F N 3.618 123.591 119.950 0.037 0.000 2.467 691 F HA 0.386 4.913 4.527 -0.000 0.000 0.336 691 F C 0.853 176.637 175.800 -0.025 0.000 1.123 691 F CA -0.804 57.203 58.000 0.011 0.000 0.964 691 F CB 0.928 39.917 39.000 -0.018 0.000 1.136 691 F HN 0.583 nan 8.300 nan 0.000 0.447 692 N N 3.200 121.974 118.700 0.124 0.000 2.770 692 N HA -0.248 4.492 4.740 -0.000 0.000 0.283 692 N C -0.701 174.828 175.510 0.030 0.000 1.009 692 N CA -0.097 52.988 53.050 0.059 0.000 0.828 692 N CB -0.323 38.191 38.487 0.044 0.000 0.939 692 N HN 0.483 nan 8.380 nan 0.000 0.580 693 L N 1.556 122.802 121.223 0.038 0.000 2.361 693 L HA 0.071 4.411 4.340 -0.000 0.000 0.278 693 L C 0.573 177.481 176.870 0.063 0.000 1.113 693 L CA -0.094 54.770 54.840 0.040 0.000 0.849 693 L CB 0.498 42.585 42.059 0.046 0.000 1.155 693 L HN 0.330 nan 8.230 nan 0.000 0.452 694 Q N 2.703 122.566 119.800 0.106 0.000 2.260 694 Q HA 0.117 4.457 4.340 -0.000 0.000 0.242 694 Q C -0.641 175.465 176.000 0.175 0.000 0.932 694 Q CA -0.694 55.216 55.803 0.179 0.000 0.891 694 Q CB 1.428 30.352 28.738 0.311 0.000 1.222 694 Q HN 0.552 nan 8.270 nan 0.000 0.453 695 D N -0.075 120.377 120.400 0.088 0.000 2.487 695 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 695 D C 0.803 177.069 176.300 -0.058 0.000 1.154 695 D CA 1.845 55.857 54.000 0.021 0.000 0.876 695 D CB 0.100 40.904 40.800 0.007 0.000 1.161 695 D HN 0.696 nan 8.370 nan 0.000 0.478 696 G N 2.905 111.658 108.800 -0.079 0.000 2.175 696 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 696 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 696 G C 0.229 174.978 174.900 -0.252 0.000 0.982 696 G CA 0.168 45.165 45.100 -0.172 0.000 0.641 696 G HN 0.702 nan 8.290 nan 0.000 0.527 697 H N 0.183 119.249 119.070 -0.006 0.000 2.595 697 H HA 0.696 5.252 4.556 -0.000 0.000 0.346 697 H C -0.396 174.926 175.328 -0.010 0.000 1.181 697 H CA -0.251 55.792 56.048 -0.008 0.000 1.242 697 H CB 1.874 31.631 29.762 -0.008 0.000 1.652 697 H HN 0.379 nan 8.280 nan 0.000 0.548 698 E N 0.500 120.787 120.200 0.146 0.000 2.246 698 E HA 0.550 4.900 4.350 -0.000 0.000 0.266 698 E C -1.538 175.087 176.600 0.042 0.000 0.880 698 E CA -0.999 55.438 56.400 0.062 0.000 0.762 698 E CB 1.580 31.296 29.700 0.027 0.000 1.180 698 E HN 0.686 nan 8.360 nan 0.000 0.416 699 A N 4.303 127.137 122.820 0.023 0.000 2.273 699 A HA 0.496 4.816 4.320 -0.000 0.000 0.320 699 A C -0.659 176.923 177.584 -0.004 0.000 1.358 699 A CA -0.555 51.490 52.037 0.014 0.000 0.910 699 A CB 0.646 19.665 19.000 0.032 0.000 1.159 699 A HN 0.353 nan 8.150 nan 0.000 0.526 700 V N 1.149 121.058 119.914 -0.008 0.000 2.617 700 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 700 V C 0.139 176.236 176.094 0.005 0.000 1.048 700 V CA -0.605 61.677 62.300 -0.030 0.000 0.964 700 V CB 1.385 33.184 31.823 -0.039 0.000 1.004 700 V HN 0.988 nan 8.190 nan 0.000 0.466 701 C N 3.983 123.278 119.300 -0.009 0.000 2.516 701 C HA 0.590 5.050 4.460 -0.000 0.000 0.338 701 C C -0.586 174.437 174.990 0.056 0.000 1.132 701 C CA -0.406 58.664 59.018 0.086 0.000 1.310 701 C CB 0.508 28.376 27.740 0.213 0.000 1.898 701 C HN 1.025 nan 8.230 nan 0.000 0.452 702 E N 4.091 124.338 120.200 0.079 0.000 2.145 702 E HA 0.477 4.827 4.350 -0.000 0.000 0.270 702 E C -0.936 175.736 176.600 0.120 0.000 0.906 702 E CA -0.495 55.938 56.400 0.056 0.000 0.761 702 E CB 2.053 31.759 29.700 0.010 0.000 1.116 702 E HN 0.559 nan 8.360 nan 0.000 0.408 703 V N 5.704 125.730 119.914 0.187 0.000 2.406 703 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 703 V C -1.869 174.336 176.094 0.184 0.000 1.043 703 V CA -1.700 60.731 62.300 0.219 0.000 0.915 703 V CB 0.842 32.879 31.823 0.357 0.000 0.988 703 V HN 0.585 nan 8.190 nan 0.000 0.466 704 P HA 0.429 nan 4.420 nan 0.000 0.281 704 P C -0.582 176.941 177.300 0.372 0.000 1.249 704 P CA -0.221 63.005 63.100 0.209 0.000 0.810 704 P CB 1.814 33.611 31.700 0.161 0.000 1.008 705 A N 2.157 125.141 122.820 0.274 0.000 2.247 705 A HA 0.596 4.916 4.320 -0.000 0.000 0.313 705 A C 1.719 179.491 177.584 0.314 0.000 1.109 705 A CA 0.098 52.262 52.037 0.212 0.000 0.890 705 A CB -0.313 18.721 19.000 0.056 0.000 1.239 705 A HN 0.503 nan 8.150 nan 0.000 0.506 706 A N 0.293 123.179 122.820 0.110 0.000 1.884 706 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 706 A C 1.394 179.135 177.584 0.263 0.000 1.197 706 A CA 2.498 54.580 52.037 0.075 0.000 0.637 706 A CB -1.046 17.931 19.000 -0.038 0.000 0.827 706 A HN 0.963 nan 8.150 nan 0.000 0.450 707 D N -1.614 118.903 120.400 0.195 0.000 2.358 707 D HA 0.265 4.905 4.640 -0.000 0.000 0.241 707 D C 1.142 177.569 176.300 0.213 0.000 1.094 707 D CA 1.088 55.202 54.000 0.190 0.000 0.907 707 D CB -0.877 39.989 40.800 0.110 0.000 0.893 707 D HN 0.991 nan 8.370 nan 0.000 0.528 708 G N -0.067 108.933 108.800 0.332 0.000 2.205 708 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.261 708 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.261 708 G C 0.472 175.430 174.900 0.095 0.000 0.980 708 G CA 0.595 45.812 45.100 0.195 0.000 0.632 708 G HN 0.888 nan 8.290 nan 0.000 0.533 709 S N -0.455 115.303 115.700 0.097 0.000 2.603 709 S HA 0.618 5.088 4.470 -0.000 0.000 0.268 709 S C 0.512 175.149 174.600 0.062 0.000 1.317 709 S CA -0.168 58.065 58.200 0.054 0.000 1.012 709 S CB 2.091 65.316 63.200 0.041 0.000 0.926 709 S HN 1.094 nan 8.310 nan 0.000 0.539 710 V N 2.905 122.840 119.914 0.034 0.000 2.485 710 V HA 0.096 4.216 4.120 -0.000 0.000 0.287 710 V C 1.116 177.233 176.094 0.038 0.000 1.022 710 V CA 0.201 62.523 62.300 0.037 0.000 1.067 710 V CB 0.016 31.843 31.823 0.007 0.000 0.967 710 V HN 0.963 nan 8.190 nan 0.000 0.479 711 I N 4.338 124.942 120.570 0.056 0.000 3.939 711 I HA 0.349 4.519 4.170 -0.000 0.000 0.313 711 I C -0.036 176.157 176.117 0.127 0.000 1.274 711 I CA 0.397 61.706 61.300 0.016 0.000 1.301 711 I CB 0.565 38.478 38.000 -0.144 0.000 1.105 711 I HN 0.556 nan 8.210 nan 0.000 0.427 712 F N 0.380 120.316 119.950 -0.023 0.000 2.604 712 F HA 0.424 4.951 4.527 -0.000 0.000 0.316 712 F C -1.253 174.538 175.800 -0.015 0.000 1.136 712 F CA -0.489 57.503 58.000 -0.013 0.000 0.989 712 F CB 1.714 40.730 39.000 0.027 0.000 1.258 712 F HN -0.360 nan 8.300 nan 0.000 0.451 713 T N 7.080 121.181 114.554 -0.756 0.000 2.833 713 T HA 0.412 4.762 4.350 -0.000 0.000 0.297 713 T C -1.128 173.040 174.700 -0.888 0.000 1.015 713 T CA -0.472 61.272 62.100 -0.594 0.000 0.963 713 T CB 1.073 69.750 68.868 -0.319 0.000 0.955 713 T HN 0.564 nan 8.240 nan 0.000 0.449 714 L N 4.331 125.094 121.223 -0.767 0.000 2.272 714 L HA 0.555 4.895 4.340 -0.000 0.000 0.289 714 L C -0.407 176.219 176.870 -0.406 0.000 1.032 714 L CA -0.551 53.834 54.840 -0.759 0.000 0.810 714 L CB 0.908 42.307 42.059 -1.100 0.000 1.205 714 L HN 0.548 nan 8.230 nan 0.000 0.422 715 K N 3.881 124.102 120.400 -0.298 0.000 2.259 715 K HA 0.753 5.073 4.320 -0.000 0.000 0.249 715 K C -0.907 175.628 176.600 -0.108 0.000 0.942 715 K CA -0.692 55.496 56.287 -0.164 0.000 0.816 715 K CB 2.405 34.829 32.500 -0.127 0.000 1.155 715 K HN 0.625 nan 8.250 nan 0.000 0.428 716 A N 1.462 124.247 122.820 -0.059 0.000 2.605 716 A HA 0.601 4.921 4.320 -0.000 0.000 0.293 716 A C -1.065 176.518 177.584 -0.001 0.000 1.216 716 A CA -0.608 51.415 52.037 -0.023 0.000 0.742 716 A CB 0.931 19.925 19.000 -0.009 0.000 1.170 716 A HN 0.673 nan 8.150 nan 0.000 0.443 717 A N 2.366 125.185 122.820 -0.002 0.000 2.276 717 A HA 0.708 5.028 4.320 -0.000 0.000 0.316 717 A C 0.253 177.844 177.584 0.012 0.000 1.229 717 A CA -0.588 51.454 52.037 0.008 0.000 0.851 717 A CB 0.396 19.394 19.000 -0.003 0.000 1.165 717 A HN 0.807 nan 8.150 nan 0.000 0.513 718 R N 2.929 123.442 120.500 0.022 0.000 2.280 718 R HA 0.246 4.586 4.340 -0.000 0.000 0.326 718 R C 0.816 177.118 176.300 0.004 0.000 1.080 718 R CA 0.264 56.374 56.100 0.018 0.000 1.002 718 R CB 0.567 30.887 30.300 0.033 0.000 1.136 718 R HN 0.850 nan 8.270 nan 0.000 0.509 719 T N 1.331 115.884 114.554 -0.002 0.000 2.668 719 T HA -0.016 4.334 4.350 -0.000 0.000 0.262 719 T C 1.102 175.795 174.700 -0.012 0.000 1.045 719 T CA 2.115 64.209 62.100 -0.011 0.000 1.152 719 T CB 0.072 68.935 68.868 -0.009 0.000 0.864 719 T HN 0.736 nan 8.240 nan 0.000 0.419 720 G N -1.147 107.650 108.800 -0.005 0.000 2.645 720 G HA2 0.208 4.168 3.960 -0.000 0.000 0.210 720 G HA3 0.208 4.168 3.960 -0.000 0.000 0.210 720 G C 0.941 175.842 174.900 0.002 0.000 1.304 720 G CA 0.384 45.481 45.100 -0.005 0.000 0.556 720 G HN 0.452 nan 8.290 nan 0.000 1.003 721 N N -0.593 118.109 118.700 0.004 0.000 2.036 721 N HA 0.184 4.924 4.740 -0.000 0.000 0.224 721 N C -1.058 174.456 175.510 0.007 0.000 1.381 721 N CA 0.010 53.064 53.050 0.007 0.000 0.746 721 N CB 1.270 39.760 38.487 0.005 0.000 1.213 721 N HN 0.095 nan 8.380 nan 0.000 0.524 722 T N 0.729 115.286 114.554 0.006 0.000 2.792 722 T HA 0.510 4.860 4.350 -0.000 0.000 0.280 722 T C -0.729 173.976 174.700 0.008 0.000 0.990 722 T CA -0.257 61.846 62.100 0.006 0.000 0.960 722 T CB 1.463 70.333 68.868 0.004 0.000 0.939 722 T HN -0.085 nan 8.240 nan 0.000 0.439 723 I N 3.161 123.737 120.570 0.011 0.000 2.330 723 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 723 I C 0.629 176.754 176.117 0.013 0.000 1.001 723 I CA -0.186 61.122 61.300 0.013 0.000 1.193 723 I CB 1.439 39.449 38.000 0.017 0.000 1.345 723 I HN 0.539 nan 8.210 nan 0.000 0.461 724 T N 5.973 120.532 114.554 0.010 0.000 2.728 724 T HA 0.415 4.765 4.350 -0.000 0.000 0.296 724 T C -0.042 174.663 174.700 0.008 0.000 0.940 724 T CA -0.395 61.710 62.100 0.009 0.000 1.013 724 T CB 0.671 69.541 68.868 0.003 0.000 0.912 724 T HN 0.186 nan 8.240 nan 0.000 0.484 725 V N 5.247 125.175 119.914 0.023 0.000 2.311 725 V HA 0.419 4.539 4.120 -0.000 0.000 0.275 725 V C 0.629 176.743 176.094 0.033 0.000 1.022 725 V CA -0.872 61.444 62.300 0.027 0.000 0.830 725 V CB 0.872 32.744 31.823 0.081 0.000 1.012 725 V HN 1.055 nan 8.190 nan 0.000 0.452 726 T N 1.714 116.255 114.554 -0.021 0.000 2.779 726 T HA 0.757 5.107 4.350 -0.000 0.000 0.280 726 T C 0.183 174.822 174.700 -0.101 0.000 0.987 726 T CA -0.465 61.619 62.100 -0.026 0.000 0.966 726 T CB 1.661 70.503 68.868 -0.043 0.000 0.933 726 T HN 0.748 nan 8.240 nan 0.000 0.442 727 G N 0.996 109.775 108.800 -0.034 0.000 2.417 727 G HA2 0.751 4.711 3.960 -0.000 0.000 0.334 727 G HA3 0.751 4.711 3.960 -0.000 0.000 0.334 727 G C -0.994 173.824 174.900 -0.136 0.000 1.150 727 G CA -0.997 44.012 45.100 -0.151 0.000 0.923 727 G HN 1.239 nan 8.290 nan 0.000 0.485 728 A N 0.027 122.621 122.820 -0.376 0.000 2.488 728 A HA 0.985 5.305 4.320 -0.000 0.000 0.295 728 A C 0.303 177.842 177.584 -0.076 0.000 1.045 728 A CA 0.489 52.432 52.037 -0.156 0.000 0.703 728 A CB 1.192 20.088 19.000 -0.173 0.000 1.271 728 A HN 2.651 nan 8.150 nan 0.000 0.400 729 G N 0.668 109.565 108.800 0.162 0.000 2.416 729 G HA2 0.168 4.128 3.960 -0.000 0.000 0.203 729 G HA3 0.168 4.128 3.960 -0.000 0.000 0.203 729 G C -0.363 174.761 174.900 0.374 0.000 1.227 729 G CA 0.022 45.276 45.100 0.256 0.000 1.041 729 G HN 1.310 nan 8.290 nan 0.000 0.546 730 E N 0.356 120.735 120.200 0.298 0.000 2.133 730 E HA 0.641 4.991 4.350 -0.000 0.000 0.274 730 E C -0.221 176.407 176.600 0.047 0.000 0.930 730 E CA -0.216 56.281 56.400 0.160 0.000 0.770 730 E CB 1.105 30.852 29.700 0.078 0.000 1.104 730 E HN 1.834 nan 8.360 nan 0.000 0.403 731 A N 4.024 126.786 122.820 -0.097 0.000 2.565 731 A HA 0.536 4.856 4.320 -0.000 0.000 0.298 731 A C -1.693 175.899 177.584 0.013 0.000 1.062 731 A CA -0.923 50.950 52.037 -0.273 0.000 0.723 731 A CB 1.461 19.538 19.000 -1.538 0.000 1.282 731 A HN 0.481 nan 8.150 nan 0.000 0.400 732 K N 1.340 121.796 120.400 0.093 0.000 2.375 732 K HA 0.632 4.952 4.320 -0.000 0.000 0.249 732 K C 0.375 177.055 176.600 0.134 0.000 0.942 732 K CA -0.471 55.885 56.287 0.114 0.000 0.806 732 K CB 1.308 33.831 32.500 0.038 0.000 1.227 732 K HN 0.770 nan 8.250 nan 0.000 0.430 733 N N 2.022 120.762 118.700 0.067 0.000 2.727 733 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 733 N C -1.035 174.548 175.510 0.121 0.000 1.048 733 N CA 0.441 53.506 53.050 0.026 0.000 0.714 733 N CB -0.118 38.381 38.487 0.021 0.000 0.959 733 N HN 0.629 nan 8.380 nan 0.000 0.544 734 W N -0.147 121.183 121.300 0.050 0.000 2.359 734 W HA 0.678 5.338 4.660 -0.000 0.000 0.344 734 W C -0.377 176.237 176.519 0.158 0.000 1.170 734 W CA -0.441 56.989 57.345 0.142 0.000 1.296 734 W CB 0.172 29.820 29.460 0.313 0.000 1.197 734 W HN -0.070 nan 8.180 nan 0.000 0.618 735 T N 3.078 117.959 114.554 0.546 0.000 2.907 735 T HA 0.555 4.905 4.350 -0.000 0.000 0.290 735 T C -1.103 173.927 174.700 0.550 0.000 1.066 735 T CA -0.781 61.513 62.100 0.324 0.000 1.012 735 T CB 1.893 70.850 68.868 0.148 0.000 1.184 735 T HN 0.412 nan 8.240 nan 0.000 0.522 736 L N 2.016 123.418 121.223 0.299 0.000 2.491 736 L HA 0.529 4.869 4.340 -0.000 0.000 0.267 736 L C -1.146 175.748 176.870 0.040 0.000 0.971 736 L CA -0.522 54.476 54.840 0.264 0.000 0.857 736 L CB 0.852 43.109 42.059 0.330 0.000 1.226 736 L HN 0.893 nan 8.230 nan 0.000 0.408 737 C N 6.459 125.685 119.300 -0.123 0.000 2.330 737 C HA 0.505 4.965 4.460 -0.000 0.000 0.344 737 C C 0.423 175.321 174.990 -0.154 0.000 1.273 737 C CA -0.628 58.269 59.018 -0.203 0.000 1.879 737 C CB 0.102 27.576 27.740 -0.444 0.000 2.376 737 C HN 0.748 nan 8.230 nan 0.000 0.534 738 L N 6.538 127.703 121.223 -0.096 0.000 2.328 738 L HA 0.331 4.671 4.340 -0.000 0.000 0.280 738 L C 0.674 177.483 176.870 -0.101 0.000 1.111 738 L CA -0.253 54.538 54.840 -0.081 0.000 0.909 738 L CB -0.314 41.722 42.059 -0.038 0.000 1.277 738 L HN 0.678 nan 8.230 nan 0.000 0.433 739 R N 3.458 123.847 120.500 -0.184 0.000 2.504 739 R HA -0.064 4.276 4.340 -0.000 0.000 0.291 739 R C 0.768 177.025 176.300 -0.073 0.000 0.974 739 R CA 0.602 56.589 56.100 -0.189 0.000 1.077 739 R CB -0.190 29.824 30.300 -0.477 0.000 0.926 739 R HN 0.552 nan 8.270 nan 0.000 0.407 740 N N 1.419 120.108 118.700 -0.019 0.000 2.741 740 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 740 N C -1.378 174.138 175.510 0.009 0.000 1.115 740 N CA 1.221 54.281 53.050 0.016 0.000 0.724 740 N CB -0.706 37.805 38.487 0.040 0.000 1.090 740 N HN 0.225 nan 8.380 nan 0.000 0.558 741 V N 1.559 121.471 119.914 -0.004 0.000 2.289 741 V HA 0.150 4.270 4.120 -0.000 0.000 0.272 741 V C 1.653 177.747 176.094 0.000 0.000 1.026 741 V CA -0.363 61.936 62.300 -0.001 0.000 0.807 741 V CB 1.469 33.287 31.823 -0.009 0.000 1.044 741 V HN 0.124 nan 8.190 nan 0.000 0.443 742 V N 1.571 121.489 119.914 0.007 0.000 2.427 742 V HA 0.136 4.256 4.120 -0.000 0.000 0.248 742 V C 0.809 176.905 176.094 0.005 0.000 1.051 742 V CA 1.255 63.560 62.300 0.008 0.000 1.048 742 V CB -0.312 31.518 31.823 0.012 0.000 0.666 742 V HN 0.657 nan 8.190 nan 0.000 0.456 743 K N -0.699 119.704 120.400 0.004 0.000 2.498 743 K HA 0.656 4.976 4.320 -0.000 0.000 0.254 743 K C -1.661 174.941 176.600 0.003 0.000 0.933 743 K CA -0.506 55.782 56.287 0.003 0.000 0.806 743 K CB 2.967 35.469 32.500 0.004 0.000 1.301 743 K HN 0.077 nan 8.250 nan 0.000 0.432 744 V N 2.464 122.378 119.914 0.001 0.000 3.103 744 V HA 0.306 4.426 4.120 -0.000 0.000 0.318 744 V C 0.303 176.398 176.094 0.001 0.000 1.114 744 V CA -0.401 61.900 62.300 0.001 0.000 1.020 744 V CB 1.891 33.714 31.823 0.000 0.000 1.085 744 V HN 1.002 nan 8.190 nan 0.000 0.446 745 N N 1.670 120.371 118.700 0.002 0.000 2.278 745 N HA 0.303 5.043 4.740 -0.000 0.000 0.181 745 N C 0.313 175.823 175.510 0.001 0.000 1.023 745 N CA 1.183 54.234 53.050 0.002 0.000 0.862 745 N CB 0.214 38.702 38.487 0.003 0.000 1.003 745 N HN 0.919 nan 8.380 nan 0.000 0.431 746 G N -0.490 108.310 108.800 0.001 0.000 2.690 746 G HA2 0.588 4.548 3.960 -0.000 0.000 0.293 746 G HA3 0.588 4.548 3.960 -0.000 0.000 0.293 746 G C -2.093 172.806 174.900 -0.001 0.000 1.399 746 G CA -0.521 44.579 45.100 -0.000 0.000 0.890 746 G HN 0.147 nan 8.290 nan 0.000 0.485 747 L N 0.461 121.683 121.223 -0.003 0.000 2.464 747 L HA 0.534 4.874 4.340 -0.000 0.000 0.266 747 L C -1.064 175.803 176.870 -0.005 0.000 0.965 747 L CA -0.831 54.007 54.840 -0.004 0.000 0.833 747 L CB 2.250 44.304 42.059 -0.008 0.000 1.296 747 L HN 0.414 nan 8.230 nan 0.000 0.405 748 Q N 2.129 121.928 119.800 -0.002 0.000 2.306 748 Q HA 0.287 4.627 4.340 -0.000 0.000 0.265 748 Q C -0.804 175.194 176.000 -0.005 0.000 1.022 748 Q CA -0.593 55.209 55.803 -0.002 0.000 0.853 748 Q CB 1.936 30.676 28.738 0.003 0.000 1.327 748 Q HN 0.699 nan 8.270 nan 0.000 0.449 749 D N 0.478 120.873 120.400 -0.008 0.000 2.702 749 D HA -0.132 4.507 4.640 -0.000 0.000 0.233 749 D C -0.079 176.201 176.300 -0.033 0.000 1.164 749 D CA 1.615 55.606 54.000 -0.014 0.000 0.638 749 D CB -0.880 39.919 40.800 -0.001 0.000 1.041 749 D HN 0.790 nan 8.370 nan 0.000 0.422 750 G N -1.694 107.083 108.800 -0.038 0.000 2.556 750 G HA2 0.523 4.483 3.960 -0.000 0.000 0.294 750 G HA3 0.523 4.483 3.960 -0.000 0.000 0.294 750 G C -0.344 174.527 174.900 -0.049 0.000 1.516 750 G CA -0.242 44.822 45.100 -0.059 0.000 0.824 750 G HN 0.402 nan 8.290 nan 0.000 0.535 751 S N -0.526 115.139 115.700 -0.059 0.000 2.719 751 S HA 0.877 5.346 4.470 -0.000 0.000 0.285 751 S C -0.118 174.458 174.600 -0.040 0.000 1.137 751 S CA -0.177 57.996 58.200 -0.045 0.000 1.012 751 S CB 1.672 64.843 63.200 -0.048 0.000 1.134 751 S HN 1.389 nan 8.310 nan 0.000 0.544 752 Q N -1.069 118.713 119.800 -0.031 0.000 2.522 752 Q HA 0.759 5.099 4.340 -0.000 0.000 0.285 752 Q C -1.543 174.445 176.000 -0.019 0.000 0.982 752 Q CA -1.453 54.335 55.803 -0.025 0.000 0.805 752 Q CB 1.516 30.243 28.738 -0.018 0.000 1.457 752 Q HN 1.112 nan 8.270 nan 0.000 0.394 753 A N 0.962 123.772 122.820 -0.016 0.000 2.609 753 A HA 0.690 5.010 4.320 -0.000 0.000 0.291 753 A C -1.570 176.010 177.584 -0.007 0.000 1.096 753 A CA -0.802 51.228 52.037 -0.011 0.000 0.684 753 A CB 1.933 20.926 19.000 -0.011 0.000 1.282 753 A HN 0.725 nan 8.150 nan 0.000 0.412 754 E N 0.360 120.559 120.200 -0.002 0.000 2.202 754 E HA 0.630 4.980 4.350 -0.000 0.000 0.272 754 E C -0.407 176.199 176.600 0.008 0.000 0.951 754 E CA -0.554 55.848 56.400 0.003 0.000 0.813 754 E CB 1.953 31.656 29.700 0.005 0.000 1.151 754 E HN 0.776 nan 8.360 nan 0.000 0.398 755 S N -0.001 115.707 115.700 0.013 0.000 2.651 755 S HA 0.148 4.618 4.470 -0.000 0.000 0.279 755 S C 0.727 175.347 174.600 0.034 0.000 1.148 755 S CA -0.764 57.451 58.200 0.025 0.000 0.837 755 S CB 1.338 64.555 63.200 0.028 0.000 1.138 755 S HN 0.700 nan 8.310 nan 0.000 0.478 756 E N 0.382 120.610 120.200 0.047 0.000 2.204 756 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 756 E C 1.448 178.087 176.600 0.065 0.000 0.989 756 E CA 1.023 57.457 56.400 0.056 0.000 0.824 756 E CB -0.422 29.319 29.700 0.068 0.000 0.756 756 E HN 0.734 nan 8.360 nan 0.000 0.477 757 Q N 0.606 120.450 119.800 0.073 0.000 2.354 757 Q HA 0.219 4.559 4.340 -0.000 0.000 0.203 757 Q C 0.680 176.704 176.000 0.040 0.000 0.933 757 Q CA 0.634 56.486 55.803 0.082 0.000 0.901 757 Q CB 0.950 29.765 28.738 0.127 0.000 1.007 757 Q HN 0.346 nan 8.270 nan 0.000 0.495 758 G N 0.328 109.140 108.800 0.019 0.000 2.337 758 G HA2 0.139 4.098 3.960 -0.000 0.000 0.298 758 G HA3 0.139 4.098 3.960 -0.000 0.000 0.298 758 G C -2.129 172.762 174.900 -0.015 0.000 1.335 758 G CA -1.139 43.957 45.100 -0.006 0.000 0.875 758 G HN 0.010 nan 8.290 nan 0.000 0.579 759 L N 0.831 122.042 121.223 -0.020 0.000 2.477 759 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 759 L C 0.487 177.338 176.870 -0.031 0.000 1.157 759 L CA 0.015 54.843 54.840 -0.019 0.000 0.889 759 L CB 0.767 42.817 42.059 -0.014 0.000 1.158 759 L HN 0.432 nan 8.230 nan 0.000 0.473 760 V N 6.282 126.180 119.914 -0.027 0.000 2.465 760 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 760 V C -0.049 176.031 176.094 -0.023 0.000 1.045 760 V CA -0.551 61.730 62.300 -0.031 0.000 0.938 760 V CB 1.521 33.329 31.823 -0.024 0.000 0.986 760 V HN 0.521 nan 8.190 nan 0.000 0.467 761 V N 4.503 124.407 119.914 -0.016 0.000 2.531 761 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 761 V C -0.327 175.735 176.094 -0.053 0.000 1.034 761 V CA -0.952 61.334 62.300 -0.024 0.000 0.865 761 V CB 2.005 33.825 31.823 -0.005 0.000 0.995 761 V HN 0.825 nan 8.190 nan 0.000 0.424 762 K N 7.818 128.159 120.400 -0.099 0.000 2.389 762 K HA 0.522 4.842 4.320 -0.000 0.000 0.261 762 K C -2.442 174.011 176.600 -0.246 0.000 1.014 762 K CA -2.182 53.993 56.287 -0.187 0.000 0.920 762 K CB 1.507 33.922 32.500 -0.142 0.000 1.149 762 K HN 0.370 nan 8.250 nan 0.000 0.444 763 P HA -0.018 nan 4.420 nan 0.000 0.271 763 P C -1.328 175.810 177.300 -0.269 0.000 1.244 763 P CA 0.060 62.951 63.100 -0.347 0.000 0.793 763 P CB 0.480 31.843 31.700 -0.562 0.000 0.984 764 Q N -0.212 119.495 119.800 -0.154 0.000 3.091 764 Q HA 0.530 4.870 4.340 -0.000 0.000 0.203 764 Q C -0.252 175.720 176.000 -0.046 0.000 0.768 764 Q CA -0.517 55.225 55.803 -0.101 0.000 0.955 764 Q CB 0.269 28.955 28.738 -0.086 0.000 1.533 764 Q HN 0.821 nan 8.270 nan 0.000 0.472 765 G N 2.598 111.386 108.800 -0.020 0.000 2.348 765 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.199 765 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.199 765 G C -1.360 173.567 174.900 0.045 0.000 1.235 765 G CA -0.209 44.898 45.100 0.011 0.000 1.264 765 G HN 0.709 nan 8.290 nan 0.000 0.543 766 N N -0.038 118.691 118.700 0.048 0.000 2.793 766 N HA 0.725 5.464 4.740 -0.000 0.000 0.251 766 N C 0.105 175.648 175.510 0.055 0.000 1.308 766 N CA 1.064 54.158 53.050 0.074 0.000 0.781 766 N CB 1.034 39.568 38.487 0.078 0.000 1.439 766 N HN 1.822 nan 8.380 nan 0.000 0.562 767 A N 1.972 124.826 122.820 0.058 0.000 2.571 767 A HA 0.106 4.426 4.320 -0.000 0.000 0.194 767 A C -0.327 177.283 177.584 0.044 0.000 1.772 767 A CA -0.050 52.011 52.037 0.041 0.000 1.517 767 A CB -0.596 18.419 19.000 0.026 0.000 1.337 767 A HN 0.870 nan 8.150 nan 0.000 0.362 768 L N 2.387 123.635 121.223 0.042 0.000 3.601 768 L HA -0.103 4.237 4.340 -0.000 0.000 0.543 768 L C -0.654 176.237 176.870 0.035 0.000 1.014 768 L CA 1.686 56.549 54.840 0.038 0.000 0.982 768 L CB -1.639 40.461 42.059 0.068 0.000 0.949 768 L HN 0.500 nan 8.230 nan 0.000 0.673 769 T N 6.687 121.253 114.554 0.020 0.000 2.786 769 T HA 0.707 5.057 4.350 -0.000 0.000 0.283 769 T C -0.066 174.641 174.700 0.012 0.000 0.992 769 T CA 0.023 62.133 62.100 0.016 0.000 0.954 769 T CB 0.923 69.797 68.868 0.012 0.000 0.934 769 T HN 0.629 nan 8.240 nan 0.000 0.440 770 I N 1.013 121.591 120.570 0.013 0.000 2.603 770 I HA 0.836 5.005 4.170 -0.000 0.000 0.300 770 I C -0.159 175.963 176.117 0.008 0.000 1.017 770 I CA -0.450 60.856 61.300 0.009 0.000 1.098 770 I CB 2.369 40.375 38.000 0.010 0.000 1.279 770 I HN 0.499 nan 8.210 nan 0.000 0.437 771 T N 6.912 121.470 114.554 0.005 0.000 2.815 771 T HA 0.578 4.928 4.350 -0.000 0.000 0.289 771 T C -0.274 174.429 174.700 0.005 0.000 1.000 771 T CA -0.629 61.474 62.100 0.005 0.000 0.958 771 T CB 0.134 69.005 68.868 0.004 0.000 0.944 771 T HN 0.668 nan 8.240 nan 0.000 0.442 772 L N 4.076 125.303 121.223 0.007 0.000 2.483 772 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 772 L C 1.992 178.866 176.870 0.006 0.000 1.220 772 L CA -0.420 54.424 54.840 0.007 0.000 0.833 772 L CB -0.201 41.864 42.059 0.009 0.000 1.102 772 L HN 0.963 nan 8.230 nan 0.000 0.490 773 H N 0.000 119.074 119.070 0.006 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.052 56.048 0.006 0.000 1.023 773 H CB 0.000 29.766 29.762 0.006 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496