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 2pp3_1_B DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KAANTRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLAVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.589 174.600 -0.018 0.000 1.055 4 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 4 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 5 A N 3.095 125.902 122.820 -0.021 0.000 2.251 5 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 5 A C 0.690 178.252 177.584 -0.037 0.000 1.187 5 A CA 0.728 52.748 52.037 -0.027 0.000 0.823 5 A CB -0.494 18.491 19.000 -0.025 0.000 0.846 5 A HN 0.984 nan 8.150 nan 0.000 0.486 6 N N -0.870 117.809 118.700 -0.034 0.000 3.157 6 N HA 0.561 5.301 4.740 -0.000 0.000 0.291 6 N C -0.808 174.682 175.510 -0.033 0.000 1.515 6 N CA 0.369 53.395 53.050 -0.041 0.000 0.807 6 N CB 1.110 39.575 38.487 -0.038 0.000 1.672 6 N HN 0.267 nan 8.380 nan 0.000 0.592 7 S N -1.926 113.753 115.700 -0.035 0.000 2.672 7 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 7 S C -0.317 174.270 174.600 -0.021 0.000 1.171 7 S CA -0.622 57.563 58.200 -0.025 0.000 0.817 7 S CB 1.227 64.413 63.200 -0.024 0.000 1.150 7 S HN 0.431 nan 8.310 nan 0.000 0.478 8 D N 0.875 121.266 120.400 -0.014 0.000 2.178 8 D HA 0.107 4.747 4.640 -0.000 0.000 0.201 8 D C 1.248 177.542 176.300 -0.009 0.000 0.980 8 D CA 1.808 55.802 54.000 -0.010 0.000 0.842 8 D CB -0.351 40.446 40.800 -0.005 0.000 0.948 8 D HN 0.679 nan 8.370 nan 0.000 0.472 9 A N 0.198 123.012 122.820 -0.010 0.000 3.322 9 A HA 0.537 4.857 4.320 -0.000 0.000 0.201 9 A C -0.333 177.237 177.584 -0.024 0.000 1.668 9 A CA -0.371 51.663 52.037 -0.005 0.000 0.861 9 A CB 0.932 19.936 19.000 0.007 0.000 1.769 9 A HN -0.011 nan 8.150 nan 0.000 0.578 10 V N -0.545 119.355 119.914 -0.022 0.000 2.680 10 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 10 V C -0.670 175.355 176.094 -0.115 0.000 1.052 10 V CA -0.099 62.147 62.300 -0.091 0.000 0.908 10 V CB 1.867 33.650 31.823 -0.066 0.000 1.001 10 V HN 0.905 nan 8.190 nan 0.000 0.431 11 T N 5.983 120.390 114.554 -0.244 0.000 2.885 11 T HA 0.703 5.053 4.350 -0.000 0.000 0.285 11 T C -1.675 172.783 174.700 -0.403 0.000 1.019 11 T CA -0.105 61.885 62.100 -0.183 0.000 1.010 11 T CB 1.379 70.189 68.868 -0.097 0.000 1.022 11 T HN 0.573 nan 8.240 nan 0.000 0.466 12 Y N 0.527 120.827 120.300 -0.001 0.000 2.406 12 Y HA 0.625 5.175 4.550 0.000 0.000 0.340 12 Y C 0.397 176.297 175.900 -0.001 0.000 0.975 12 Y CA -0.980 57.119 58.100 -0.001 0.000 1.056 12 Y CB 1.546 40.006 38.460 -0.001 0.000 1.210 12 Y HN 0.873 nan 8.280 nan 0.000 0.448 13 A N 3.322 126.221 122.820 0.131 0.000 2.529 13 A HA 0.819 5.139 4.320 -0.000 0.000 0.269 13 A C -0.755 176.878 177.584 0.081 0.000 1.509 13 A CA -0.604 51.480 52.037 0.078 0.000 0.857 13 A CB 0.711 19.737 19.000 0.043 0.000 1.531 13 A HN 0.711 nan 8.150 nan 0.000 0.541 14 K N -1.156 119.273 120.400 0.050 0.000 2.501 14 K HA 0.570 4.890 4.320 -0.000 0.000 0.252 14 K C -1.132 175.484 176.600 0.027 0.000 0.934 14 K CA -0.489 55.820 56.287 0.037 0.000 0.797 14 K CB 2.354 34.870 32.500 0.028 0.000 1.270 14 K HN 0.807 nan 8.250 nan 0.000 0.431 15 A N 1.358 124.192 122.820 0.022 0.000 2.309 15 A HA 0.622 4.942 4.320 -0.000 0.000 0.298 15 A C 0.568 178.159 177.584 0.012 0.000 1.165 15 A CA -0.031 52.016 52.037 0.017 0.000 0.821 15 A CB 1.031 20.041 19.000 0.016 0.000 1.102 15 A HN 0.886 nan 8.150 nan 0.000 0.500 16 A N 2.254 125.081 122.820 0.010 0.000 1.881 16 A HA 0.092 4.412 4.320 -0.000 0.000 0.210 16 A C 1.241 178.829 177.584 0.007 0.000 1.239 16 A CA 0.405 52.447 52.037 0.008 0.000 0.629 16 A CB -0.427 18.577 19.000 0.007 0.000 0.906 16 A HN 0.767 nan 8.150 nan 0.000 0.460 17 N N 1.673 120.377 118.700 0.007 0.000 2.394 17 N HA 0.001 4.741 4.740 -0.000 0.000 0.288 17 N C 0.062 175.575 175.510 0.006 0.000 1.272 17 N CA 0.630 53.684 53.050 0.006 0.000 1.004 17 N CB 0.401 38.892 38.487 0.006 0.000 1.393 17 N HN 0.323 nan 8.380 nan 0.000 0.488 18 T N 2.195 116.752 114.554 0.005 0.000 3.113 18 T HA 0.067 4.417 4.350 -0.000 0.000 0.256 18 T C 0.842 175.544 174.700 0.003 0.000 1.131 18 T CA 0.134 62.236 62.100 0.004 0.000 1.074 18 T CB 0.223 69.092 68.868 0.003 0.000 0.944 18 T HN 0.388 nan 8.240 nan 0.000 0.516 19 R N 2.951 123.454 120.500 0.004 0.000 2.522 19 R HA 0.267 4.607 4.340 -0.000 0.000 0.284 19 R C 0.646 176.948 176.300 0.003 0.000 1.032 19 R CA 0.107 56.210 56.100 0.004 0.000 1.049 19 R CB 0.262 30.566 30.300 0.005 0.000 0.956 19 R HN 0.297 nan 8.270 nan 0.000 0.422 20 T N -0.976 113.580 114.554 0.003 0.000 2.925 20 T HA 0.430 4.780 4.350 -0.000 0.000 0.285 20 T C 1.171 175.872 174.700 0.001 0.000 1.021 20 T CA -0.549 61.551 62.100 0.001 0.000 1.042 20 T CB 1.966 70.834 68.868 0.000 0.000 1.037 20 T HN 0.542 nan 8.240 nan 0.000 0.481 21 A N 1.429 124.248 122.820 -0.001 0.000 2.019 21 A HA 0.205 4.525 4.320 -0.000 0.000 0.219 21 A C 2.529 180.111 177.584 -0.003 0.000 1.164 21 A CA 1.680 53.715 52.037 -0.003 0.000 0.644 21 A CB -1.408 17.588 19.000 -0.008 0.000 0.805 21 A HN 1.254 nan 8.150 nan 0.000 0.449 22 A N 0.792 123.611 122.820 -0.003 0.000 1.902 22 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 22 A C 1.970 179.554 177.584 0.001 0.000 1.181 22 A CA 1.657 53.693 52.037 -0.002 0.000 0.623 22 A CB -0.490 18.508 19.000 -0.003 0.000 0.818 22 A HN 0.786 nan 8.150 nan 0.000 0.443 23 E N -0.569 119.633 120.200 0.002 0.000 2.442 23 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 23 E C 1.323 177.928 176.600 0.009 0.000 1.030 23 E CA 1.230 57.633 56.400 0.005 0.000 0.869 23 E CB -0.374 29.329 29.700 0.004 0.000 0.857 23 E HN 0.605 nan 8.360 nan 0.000 0.505 24 T N -2.360 112.199 114.554 0.009 0.000 3.001 24 T HA 0.256 4.606 4.350 -0.000 0.000 0.251 24 T C 1.121 175.832 174.700 0.018 0.000 1.040 24 T CA 0.057 62.165 62.100 0.014 0.000 0.985 24 T CB 0.355 69.231 68.868 0.013 0.000 1.011 24 T HN 0.156 nan 8.240 nan 0.000 0.509 25 G N 1.385 110.192 108.800 0.012 0.000 2.554 25 G HA2 0.305 4.265 3.960 -0.000 0.000 0.238 25 G HA3 0.305 4.265 3.960 -0.000 0.000 0.238 25 G C -0.264 174.652 174.900 0.027 0.000 1.259 25 G CA -0.336 44.771 45.100 0.012 0.000 0.843 25 G HN 0.286 nan 8.290 nan 0.000 0.582 26 D N -0.419 120.004 120.400 0.038 0.000 2.352 26 D HA 0.241 4.881 4.640 -0.000 0.000 0.238 26 D C 0.419 176.749 176.300 0.050 0.000 1.286 26 D CA 0.262 54.304 54.000 0.069 0.000 0.923 26 D CB 0.509 41.373 40.800 0.105 0.000 1.146 26 D HN 0.156 nan 8.370 nan 0.000 0.471 27 R N 0.951 121.489 120.500 0.065 0.000 2.626 27 R HA 0.395 4.735 4.340 -0.000 0.000 0.274 27 R C -0.634 175.709 176.300 0.071 0.000 1.031 27 R CA -0.749 55.383 56.100 0.053 0.000 0.898 27 R CB 1.019 31.346 30.300 0.046 0.000 1.222 27 R HN 0.447 nan 8.270 nan 0.000 0.455 28 I N 2.322 122.928 120.570 0.061 0.000 2.529 28 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 28 I C 1.199 177.376 176.117 0.099 0.000 1.082 28 I CA 0.549 61.898 61.300 0.081 0.000 1.406 28 I CB 0.728 38.758 38.000 0.048 0.000 1.405 28 I HN 0.567 nan 8.210 nan 0.000 0.548 29 E N 4.025 124.316 120.200 0.151 0.000 2.571 29 E HA 0.076 4.426 4.350 -0.000 0.000 0.222 29 E C -0.829 175.945 176.600 0.290 0.000 0.904 29 E CA -0.137 56.368 56.400 0.174 0.000 1.157 29 E CB 1.137 30.925 29.700 0.146 0.000 1.158 29 E HN 0.613 nan 8.360 nan 0.000 0.540 30 W N 0.948 122.290 121.300 0.070 0.000 3.372 30 W HA 0.427 5.087 4.660 -0.000 0.000 0.315 30 W C -1.961 174.624 176.519 0.109 0.000 1.223 30 W CA -0.489 56.912 57.345 0.093 0.000 1.202 30 W CB 1.320 30.825 29.460 0.074 0.000 1.367 30 W HN -0.346 nan 8.180 nan 0.000 0.531 31 V N 5.217 124.806 119.914 -0.542 0.000 2.733 31 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 31 V C -0.885 174.711 176.094 -0.830 0.000 1.084 31 V CA -1.269 60.717 62.300 -0.524 0.000 0.905 31 V CB 1.827 33.532 31.823 -0.195 0.000 1.010 31 V HN 0.440 nan 8.190 nan 0.000 0.424 32 K N 4.656 124.590 120.400 -0.777 0.000 2.426 32 K HA 0.760 5.080 4.320 -0.000 0.000 0.254 32 K C -1.761 174.777 176.600 -0.103 0.000 0.936 32 K CA -0.615 55.376 56.287 -0.494 0.000 0.801 32 K CB 1.619 33.799 32.500 -0.533 0.000 1.139 32 K HN 0.661 nan 8.250 nan 0.000 0.424 33 L N 2.403 123.652 121.223 0.043 0.000 2.334 33 L HA 0.524 4.864 4.340 -0.000 0.000 0.276 33 L C -0.538 176.503 176.870 0.286 0.000 1.014 33 L CA -0.830 54.103 54.840 0.155 0.000 0.815 33 L CB 2.141 44.275 42.059 0.124 0.000 1.268 33 L HN 0.625 nan 8.230 nan 0.000 0.428 34 S N 2.702 118.573 115.700 0.286 0.000 2.549 34 S HA 0.655 5.125 4.470 -0.000 0.000 0.280 34 S C -1.259 173.384 174.600 0.071 0.000 1.109 34 S CA -0.526 57.783 58.200 0.181 0.000 0.905 34 S CB 2.477 65.733 63.200 0.094 0.000 1.081 34 S HN 0.399 nan 8.310 nan 0.000 0.477 35 L N 2.826 123.902 121.223 -0.245 0.000 2.319 35 L HA 0.895 5.235 4.340 -0.000 0.000 0.281 35 L C -0.375 176.308 176.870 -0.311 0.000 1.005 35 L CA -0.157 54.460 54.840 -0.372 0.000 0.828 35 L CB 0.566 42.184 42.059 -0.736 0.000 1.227 35 L HN 0.830 nan 8.230 nan 0.000 0.415 36 A N 3.957 126.569 122.820 -0.346 0.000 2.387 36 A HA 0.885 5.205 4.320 -0.000 0.000 0.303 36 A C -1.584 175.644 177.584 -0.595 0.000 1.145 36 A CA -0.446 51.440 52.037 -0.251 0.000 0.801 36 A CB 1.033 20.000 19.000 -0.055 0.000 1.342 36 A HN 0.529 nan 8.150 nan 0.000 0.440 37 F N -0.107 119.786 119.950 -0.094 0.000 2.536 37 F HA 0.468 4.995 4.527 0.000 0.000 0.322 37 F C -0.402 175.105 175.800 -0.488 0.000 1.144 37 F CA -0.419 57.446 58.000 -0.224 0.000 0.924 37 F CB 2.096 40.964 39.000 -0.220 0.000 1.181 37 F HN 0.367 nan 8.300 nan 0.000 0.438 38 L N 7.020 128.044 121.223 -0.331 0.000 2.295 38 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 38 L C -2.482 174.025 176.870 -0.605 0.000 1.079 38 L CA -2.049 52.422 54.840 -0.616 0.000 0.830 38 L CB 0.332 42.210 42.059 -0.301 0.000 1.200 38 L HN 0.235 nan 8.230 nan 0.000 0.438 39 P HA 0.216 nan 4.420 nan 0.000 0.276 39 P C -1.078 175.964 177.300 -0.430 0.000 1.230 39 P CA 0.000 62.778 63.100 -0.538 0.000 0.776 39 P CB 0.646 32.038 31.700 -0.513 0.000 0.888 40 L N 2.542 123.536 121.223 -0.380 0.000 2.337 40 L HA 0.387 4.727 4.340 -0.000 0.000 0.269 40 L C 1.377 178.090 176.870 -0.262 0.000 1.018 40 L CA -0.613 53.996 54.840 -0.385 0.000 0.876 40 L CB 1.188 42.918 42.059 -0.550 0.000 1.236 40 L HN 0.392 nan 8.230 nan 0.000 0.436 41 A N 1.717 124.430 122.820 -0.178 0.000 2.024 41 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 41 A C 1.115 178.626 177.584 -0.122 0.000 1.164 41 A CA 1.310 53.276 52.037 -0.120 0.000 0.643 41 A CB -0.275 18.688 19.000 -0.061 0.000 0.806 41 A HN 0.565 nan 8.150 nan 0.000 0.451 42 T N 2.823 117.294 114.554 -0.137 0.000 2.929 42 T HA 0.410 4.760 4.350 -0.000 0.000 0.331 42 T C -2.734 171.802 174.700 -0.273 0.000 1.120 42 T CA -1.114 60.898 62.100 -0.148 0.000 0.973 42 T CB 1.124 69.960 68.868 -0.053 0.000 1.036 42 T HN 0.232 nan 8.240 nan 0.000 0.502 43 P HA 0.051 nan 4.420 nan 0.000 0.261 43 P C -0.471 176.495 177.300 -0.557 0.000 1.173 43 P CA -0.089 62.805 63.100 -0.344 0.000 0.760 43 P CB 0.554 32.107 31.700 -0.246 0.000 0.783 44 V N 3.697 123.343 119.914 -0.446 0.000 2.481 44 V HA 0.436 4.556 4.120 -0.000 0.000 0.286 44 V C 0.617 176.616 176.094 -0.159 0.000 1.042 44 V CA -0.052 62.013 62.300 -0.391 0.000 0.928 44 V CB 1.367 32.996 31.823 -0.324 0.000 0.986 44 V HN 0.813 nan 8.190 nan 0.000 0.462 45 S N 1.866 117.661 115.700 0.158 0.000 2.614 45 S HA 0.658 5.128 4.470 -0.000 0.000 0.275 45 S C -1.031 173.730 174.600 0.269 0.000 1.161 45 S CA -1.010 57.282 58.200 0.153 0.000 0.969 45 S CB 1.892 65.166 63.200 0.123 0.000 1.059 45 S HN 0.797 nan 8.310 nan 0.000 0.482 46 D N 2.491 123.033 120.400 0.236 0.000 2.560 46 D HA 0.702 5.342 4.640 -0.000 0.000 0.277 46 D C 1.527 177.913 176.300 0.142 0.000 1.194 46 D CA -0.455 53.717 54.000 0.286 0.000 1.092 46 D CB -0.144 40.864 40.800 0.347 0.000 1.169 46 D HN 0.574 nan 8.370 nan 0.000 0.607 47 A N -0.719 122.150 122.820 0.081 0.000 2.024 47 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 47 A C 1.824 179.424 177.584 0.027 0.000 1.164 47 A CA 1.417 53.469 52.037 0.024 0.000 0.643 47 A CB -0.870 18.094 19.000 -0.059 0.000 0.806 47 A HN 0.508 nan 8.150 nan 0.000 0.451 48 K N -0.555 119.869 120.400 0.040 0.000 2.209 48 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 48 K C 1.662 178.283 176.600 0.035 0.000 1.048 48 K CA 1.356 57.663 56.287 0.033 0.000 0.940 48 K CB -0.185 32.340 32.500 0.041 0.000 0.729 48 K HN 0.397 nan 8.250 nan 0.000 0.451 49 V N 0.596 120.538 119.914 0.047 0.000 2.426 49 V HA -0.125 3.995 4.120 -0.000 0.000 0.242 49 V C 1.765 177.883 176.094 0.039 0.000 1.036 49 V CA 0.961 63.285 62.300 0.039 0.000 1.044 49 V CB -0.196 31.654 31.823 0.046 0.000 0.688 49 V HN 0.130 nan 8.190 nan 0.000 0.462 50 L N 1.212 122.465 121.223 0.049 0.000 2.450 50 L HA -0.085 4.255 4.340 -0.000 0.000 0.224 50 L C 2.303 179.196 176.870 0.039 0.000 1.149 50 L CA 2.170 57.038 54.840 0.047 0.000 0.816 50 L CB -1.135 40.956 42.059 0.054 0.000 0.932 50 L HN 0.620 nan 8.230 nan 0.000 0.449 51 T N -5.514 109.060 114.554 0.034 0.000 3.069 51 T HA 0.407 4.757 4.350 -0.000 0.000 0.252 51 T C 1.471 176.188 174.700 0.027 0.000 1.053 51 T CA 0.360 62.480 62.100 0.033 0.000 0.964 51 T CB 0.478 69.365 68.868 0.032 0.000 1.005 51 T HN 0.314 nan 8.240 nan 0.000 0.532 52 G N 1.903 110.717 108.800 0.024 0.000 2.176 52 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 52 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 52 G C 1.184 176.093 174.900 0.014 0.000 0.979 52 G CA 0.176 45.287 45.100 0.018 0.000 0.641 52 G HN 0.401 nan 8.290 nan 0.000 0.530 53 R N 0.028 120.538 120.500 0.017 0.000 2.092 53 R HA 0.078 4.418 4.340 -0.000 0.000 0.231 53 R C 1.369 177.675 176.300 0.011 0.000 1.119 53 R CA 1.534 57.642 56.100 0.014 0.000 0.970 53 R CB -0.164 30.146 30.300 0.017 0.000 0.864 53 R HN 0.708 nan 8.270 nan 0.000 0.440 54 Q N -0.806 119.000 119.800 0.011 0.000 2.615 54 Q HA 0.372 4.712 4.340 -0.000 0.000 0.298 54 Q C -0.825 175.175 176.000 -0.000 0.000 1.023 54 Q CA -0.972 54.834 55.803 0.005 0.000 0.768 54 Q CB 2.005 30.748 28.738 0.009 0.000 1.500 54 Q HN -0.273 nan 8.270 nan 0.000 0.441 55 K N 0.917 121.309 120.400 -0.012 0.000 2.095 55 K HA 0.514 4.834 4.320 -0.000 0.000 0.252 55 K C -2.479 174.100 176.600 -0.035 0.000 0.977 55 K CA -2.060 54.213 56.287 -0.023 0.000 0.900 55 K CB 0.513 32.993 32.500 -0.034 0.000 1.060 55 K HN 0.330 nan 8.250 nan 0.000 0.449 56 P HA -0.027 nan 4.420 nan 0.000 0.266 56 P C -0.435 176.798 177.300 -0.111 0.000 1.193 56 P CA -0.355 62.698 63.100 -0.078 0.000 0.770 56 P CB 0.348 31.988 31.700 -0.100 0.000 0.836 57 L N 3.500 124.638 121.223 -0.142 0.000 2.360 57 L HA 0.244 4.584 4.340 -0.000 0.000 0.276 57 L C 1.059 177.781 176.870 -0.246 0.000 1.121 57 L CA 0.984 55.718 54.840 -0.177 0.000 0.845 57 L CB 0.246 42.191 42.059 -0.190 0.000 1.143 57 L HN 0.512 nan 8.230 nan 0.000 0.452 58 T N 0.452 114.870 114.554 -0.226 0.000 3.043 58 T HA 0.329 4.679 4.350 -0.000 0.000 0.272 58 T C 0.098 174.632 174.700 -0.277 0.000 0.990 58 T CA 0.273 62.224 62.100 -0.249 0.000 0.897 58 T CB -0.173 68.578 68.868 -0.195 0.000 1.111 58 T HN 0.717 nan 8.240 nan 0.000 0.529 59 E N -0.305 119.740 120.200 -0.259 0.000 2.432 59 E HA 0.554 4.904 4.350 -0.000 0.000 0.279 59 E C -2.242 174.270 176.600 -0.147 0.000 1.099 59 E CA -1.166 55.095 56.400 -0.232 0.000 0.859 59 E CB 1.440 31.050 29.700 -0.151 0.000 1.402 59 E HN -0.016 nan 8.360 nan 0.000 0.451 60 V N 0.564 120.425 119.914 -0.089 0.000 2.525 60 V HA 0.652 4.772 4.120 -0.000 0.000 0.299 60 V C -0.235 175.868 176.094 0.014 0.000 1.034 60 V CA -0.329 61.971 62.300 0.000 0.000 0.863 60 V CB 1.361 33.188 31.823 0.006 0.000 0.999 60 V HN 0.870 nan 8.190 nan 0.000 0.423 61 A N 6.376 129.212 122.820 0.027 0.000 2.401 61 A HA 0.760 5.080 4.320 -0.000 0.000 0.259 61 A C -0.445 177.057 177.584 -0.137 0.000 1.103 61 A CA -0.116 51.743 52.037 -0.297 0.000 0.789 61 A CB 0.134 19.032 19.000 -0.169 0.000 1.035 61 A HN 0.622 nan 8.150 nan 0.000 0.491 62 I N 3.482 123.890 120.570 -0.270 0.000 2.439 62 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 62 I C -1.052 175.040 176.117 -0.042 0.000 1.021 62 I CA -0.437 60.826 61.300 -0.061 0.000 1.091 62 I CB 1.319 39.241 38.000 -0.131 0.000 1.242 62 I HN 0.399 nan 8.210 nan 0.000 0.439 63 I N 7.453 128.092 120.570 0.116 0.000 2.307 63 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 63 I C 0.224 176.478 176.117 0.228 0.000 1.021 63 I CA -0.020 61.374 61.300 0.157 0.000 1.224 63 I CB 0.858 38.968 38.000 0.183 0.000 1.376 63 I HN 0.283 nan 8.210 nan 0.000 0.470 64 I N 5.370 126.056 120.570 0.193 0.000 2.412 64 I HA 0.756 4.926 4.170 -0.000 0.000 0.296 64 I C 0.106 176.332 176.117 0.183 0.000 0.987 64 I CA -0.646 60.786 61.300 0.220 0.000 1.180 64 I CB 1.714 39.812 38.000 0.164 0.000 1.340 64 I HN 0.620 nan 8.210 nan 0.000 0.455 65 A N 5.368 128.294 122.820 0.176 0.000 2.343 65 A HA 0.721 5.041 4.320 -0.000 0.000 0.316 65 A C -0.856 176.799 177.584 0.118 0.000 1.104 65 A CA -0.535 51.566 52.037 0.107 0.000 0.768 65 A CB 0.977 20.018 19.000 0.069 0.000 1.213 65 A HN 0.755 nan 8.150 nan 0.000 0.456 66 E N 1.738 121.981 120.200 0.072 0.000 2.224 66 E HA 0.588 4.938 4.350 -0.000 0.000 0.265 66 E C -1.330 175.322 176.600 0.086 0.000 0.878 66 E CA -0.273 56.209 56.400 0.137 0.000 0.759 66 E CB 2.267 32.102 29.700 0.225 0.000 1.164 66 E HN 0.610 nan 8.360 nan 0.000 0.414 67 I N 2.415 123.087 120.570 0.172 0.000 2.545 67 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 67 I C -0.313 175.976 176.117 0.288 0.000 1.040 67 I CA -0.824 60.583 61.300 0.177 0.000 1.068 67 I CB 1.872 39.931 38.000 0.098 0.000 1.251 67 I HN 0.268 nan 8.210 nan 0.000 0.424 68 R N 3.213 123.935 120.500 0.370 0.000 2.621 68 R HA 0.547 4.887 4.340 -0.000 0.000 0.292 68 R C -0.626 175.817 176.300 0.238 0.000 0.969 68 R CA -0.597 55.689 56.100 0.311 0.000 0.887 68 R CB 2.528 33.024 30.300 0.326 0.000 1.180 68 R HN 0.808 nan 8.270 nan 0.000 0.450 69 S N 1.094 116.911 115.700 0.195 0.000 2.722 69 S HA 0.282 4.752 4.470 -0.000 0.000 0.292 69 S C 1.026 175.698 174.600 0.120 0.000 1.135 69 S CA -0.936 57.365 58.200 0.167 0.000 1.003 69 S CB 2.154 65.483 63.200 0.216 0.000 1.067 69 S HN 0.787 nan 8.310 nan 0.000 0.546 70 R N 0.342 120.902 120.500 0.101 0.000 2.083 70 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 70 R C 0.144 176.465 176.300 0.035 0.000 1.137 70 R CA 2.001 58.139 56.100 0.063 0.000 0.951 70 R CB -0.693 29.643 30.300 0.059 0.000 0.851 70 R HN 0.728 nan 8.270 nan 0.000 0.434 71 D N -0.815 119.622 120.400 0.062 0.000 2.332 71 D HA 0.086 4.726 4.640 -0.000 0.000 0.244 71 D C 0.841 177.024 176.300 -0.195 0.000 1.136 71 D CA 1.036 55.033 54.000 -0.006 0.000 0.884 71 D CB 0.358 41.220 40.800 0.103 0.000 0.906 71 D HN 0.612 nan 8.370 nan 0.000 0.520 72 G N 0.099 108.816 108.800 -0.139 0.000 2.157 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 72 G C 0.143 174.876 174.900 -0.278 0.000 0.979 72 G CA -0.455 44.509 45.100 -0.227 0.000 0.650 72 G HN 0.245 nan 8.290 nan 0.000 0.529 73 F N 1.133 121.106 119.950 0.039 0.000 2.382 73 F HA 0.650 5.177 4.527 -0.000 0.000 0.331 73 F C 0.710 176.552 175.800 0.070 0.000 1.121 73 F CA -0.521 57.508 58.000 0.048 0.000 1.183 73 F CB 1.199 40.222 39.000 0.039 0.000 1.207 73 F HN 0.110 nan 8.300 nan 0.000 0.555 74 E N 1.240 121.609 120.200 0.282 0.000 2.293 74 E HA 0.610 4.960 4.350 -0.000 0.000 0.270 74 E C -1.363 175.359 176.600 0.203 0.000 0.879 74 E CA -0.750 55.781 56.400 0.219 0.000 0.756 74 E CB 2.022 31.826 29.700 0.172 0.000 1.208 74 E HN 0.730 nan 8.360 nan 0.000 0.428 75 G N 1.098 110.011 108.800 0.189 0.000 2.571 75 G HA2 0.591 4.551 3.960 -0.000 0.000 0.304 75 G HA3 0.591 4.551 3.960 -0.000 0.000 0.304 75 G C -1.549 173.455 174.900 0.173 0.000 1.314 75 G CA -0.510 44.686 45.100 0.160 0.000 0.975 75 G HN 0.369 nan 8.290 nan 0.000 0.485 76 V N 0.461 120.480 119.914 0.175 0.000 2.760 76 V HA 0.980 5.100 4.120 -0.000 0.000 0.309 76 V C 0.081 176.299 176.094 0.207 0.000 1.077 76 V CA 0.443 62.866 62.300 0.206 0.000 0.910 76 V CB 1.874 33.845 31.823 0.246 0.000 1.008 76 V HN 1.485 nan 8.190 nan 0.000 0.424 77 G N 4.369 113.304 108.800 0.224 0.000 2.682 77 G HA2 0.861 4.821 3.960 -0.000 0.000 0.290 77 G HA3 0.861 4.821 3.960 -0.000 0.000 0.290 77 G C -1.576 173.503 174.900 0.298 0.000 1.425 77 G CA -0.237 44.975 45.100 0.187 0.000 0.807 77 G HN 1.553 nan 8.290 nan 0.000 0.482 78 F N -0.874 119.152 119.950 0.126 0.000 2.741 78 F HA 0.853 5.380 4.527 -0.000 0.000 0.311 78 F C -0.354 175.539 175.800 0.155 0.000 1.149 78 F CA -0.858 57.226 58.000 0.139 0.000 0.930 78 F CB 1.347 40.446 39.000 0.165 0.000 1.312 78 F HN 0.914 nan 8.300 nan 0.000 0.450 79 S N 0.478 116.418 115.700 0.400 0.000 2.740 79 S HA 0.928 5.398 4.470 -0.000 0.000 0.300 79 S C -1.413 173.500 174.600 0.523 0.000 1.147 79 S CA -0.390 58.003 58.200 0.321 0.000 0.871 79 S CB 2.375 65.657 63.200 0.137 0.000 1.173 79 S HN 1.699 nan 8.310 nan 0.000 0.510 80 Y N -1.949 118.516 120.300 0.275 0.000 2.744 80 Y HA 0.850 5.400 4.550 -0.000 0.000 0.330 80 Y C -0.953 175.026 175.900 0.132 0.000 1.263 80 Y CA -0.882 57.351 58.100 0.221 0.000 1.065 80 Y CB 1.213 39.875 38.460 0.337 0.000 1.306 80 Y HN 0.875 nan 8.280 nan 0.000 0.459 81 S N 0.781 116.554 115.700 0.122 0.000 2.649 81 S HA 0.434 4.904 4.470 -0.000 0.000 0.274 81 S C -1.983 172.714 174.600 0.163 0.000 1.176 81 S CA -0.918 57.281 58.200 -0.002 0.000 0.988 81 S CB 0.756 63.954 63.200 -0.002 0.000 1.071 81 S HN 0.629 nan 8.310 nan 0.000 0.478 82 K N 3.918 124.411 120.400 0.154 0.000 2.266 82 K HA 0.566 4.886 4.320 -0.000 0.000 0.274 82 K C 0.045 176.678 176.600 0.054 0.000 1.090 82 K CA -0.481 55.872 56.287 0.110 0.000 0.925 82 K CB 0.681 33.246 32.500 0.109 0.000 1.225 82 K HN 0.732 nan 8.250 nan 0.000 0.458 83 R N -0.070 120.456 120.500 0.043 0.000 4.214 83 R HA -0.149 4.191 4.340 -0.000 0.000 0.259 83 R C -0.605 175.720 176.300 0.043 0.000 0.241 83 R CA 0.164 56.279 56.100 0.025 0.000 0.904 83 R CB -1.029 29.277 30.300 0.010 0.000 1.173 83 R HN 0.734 nan 8.270 nan 0.000 0.469 84 A N 0.438 123.274 122.820 0.028 0.000 2.587 84 A HA 0.379 4.699 4.320 -0.000 0.000 0.233 84 A C 1.397 179.001 177.584 0.034 0.000 1.049 84 A CA 1.629 53.687 52.037 0.035 0.000 0.754 84 A CB -0.226 18.785 19.000 0.017 0.000 0.977 84 A HN 1.468 nan 8.150 nan 0.000 0.509 85 G N 0.844 109.673 108.800 0.048 0.000 2.901 85 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.194 85 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.194 85 G C 1.286 176.219 174.900 0.055 0.000 1.020 85 G CA 0.635 45.756 45.100 0.035 0.000 0.787 85 G HN 1.685 nan 8.290 nan 0.000 0.477 86 G N 0.451 109.300 108.800 0.081 0.000 2.418 86 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 86 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 86 G C 1.587 176.564 174.900 0.127 0.000 1.158 86 G CA 1.768 46.917 45.100 0.081 0.000 0.771 86 G HN 0.434 nan 8.290 nan 0.000 0.545 87 Q N 0.466 120.362 119.800 0.160 0.000 2.170 87 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 87 Q C 2.739 178.847 176.000 0.180 0.000 0.976 87 Q CA 1.411 57.322 55.803 0.181 0.000 0.858 87 Q CB -0.739 28.088 28.738 0.149 0.000 0.907 87 Q HN 0.467 nan 8.270 nan 0.000 0.433 88 G N 0.697 109.572 108.800 0.125 0.000 2.394 88 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 88 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 88 G C 1.597 176.566 174.900 0.116 0.000 1.165 88 G CA 0.261 45.422 45.100 0.102 0.000 0.784 88 G HN 0.261 nan 8.290 nan 0.000 0.535 89 I N -0.570 120.066 120.570 0.110 0.000 2.163 89 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 89 I C 2.463 178.666 176.117 0.143 0.000 1.085 89 I CA 1.394 62.760 61.300 0.110 0.000 1.347 89 I CB -0.355 37.696 38.000 0.084 0.000 1.044 89 I HN 0.220 nan 8.210 nan 0.000 0.408 90 Y N 1.831 122.163 120.300 0.053 0.000 2.128 90 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 90 Y C 2.547 178.487 175.900 0.066 0.000 1.154 90 Y CA 1.503 59.634 58.100 0.051 0.000 1.149 90 Y CB -0.484 38.001 38.460 0.041 0.000 0.976 90 Y HN 0.123 nan 8.280 nan 0.000 0.505 91 A N -0.671 122.218 122.820 0.114 0.000 1.908 91 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 91 A C 2.070 179.644 177.584 -0.015 0.000 1.181 91 A CA 2.221 54.279 52.037 0.035 0.000 0.627 91 A CB -1.300 17.777 19.000 0.128 0.000 0.818 91 A HN 0.731 nan 8.150 nan 0.000 0.445 92 H N -0.376 118.657 119.070 -0.062 0.000 2.363 92 H HA 0.170 4.726 4.556 -0.000 0.000 0.301 92 H C 2.225 177.479 175.328 -0.123 0.000 1.074 92 H CA 1.572 57.577 56.048 -0.072 0.000 1.354 92 H CB -0.319 29.415 29.762 -0.047 0.000 1.397 92 H HN 0.382 nan 8.280 nan 0.000 0.516 93 A N 0.995 123.715 122.820 -0.166 0.000 1.883 93 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 93 A C 2.311 179.696 177.584 -0.331 0.000 1.186 93 A CA 2.025 53.911 52.037 -0.252 0.000 0.624 93 A CB -0.680 18.223 19.000 -0.162 0.000 0.822 93 A HN 0.524 nan 8.150 nan 0.000 0.444 94 K N -0.255 119.939 120.400 -0.344 0.000 2.097 94 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 94 K C 1.944 178.464 176.600 -0.132 0.000 1.049 94 K CA 1.774 57.937 56.287 -0.207 0.000 0.933 94 K CB -0.159 32.149 32.500 -0.320 0.000 0.717 94 K HN 0.612 nan 8.250 nan 0.000 0.442 95 E N 0.495 120.576 120.200 -0.198 0.000 2.358 95 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 95 E C 1.701 178.148 176.600 -0.255 0.000 1.010 95 E CA 0.978 57.279 56.400 -0.165 0.000 0.856 95 E CB 0.052 29.681 29.700 -0.119 0.000 0.795 95 E HN 0.640 nan 8.360 nan 0.000 0.504 96 I N -4.507 115.829 120.570 -0.391 0.000 4.323 96 I HA 0.397 4.567 4.170 -0.000 0.000 0.328 96 I C 2.136 178.004 176.117 -0.415 0.000 1.310 96 I CA 0.290 61.366 61.300 -0.373 0.000 1.186 96 I CB 0.169 37.914 38.000 -0.424 0.000 1.130 96 I HN -0.061 nan 8.210 nan 0.000 0.411 97 A N 3.239 125.716 122.820 -0.572 0.000 1.958 97 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 97 A C 2.026 179.148 177.584 -0.769 0.000 1.178 97 A CA 2.542 54.138 52.037 -0.735 0.000 0.642 97 A CB -1.090 17.270 19.000 -1.067 0.000 0.816 97 A HN 0.747 nan 8.150 nan 0.000 0.453 98 D N 0.108 119.999 120.400 -0.848 0.000 2.190 98 D HA -0.228 4.412 4.640 -0.000 0.000 0.200 98 D C 1.147 177.311 176.300 -0.226 0.000 0.992 98 D CA 1.350 55.087 54.000 -0.437 0.000 0.854 98 D CB -0.868 39.829 40.800 -0.173 0.000 0.936 98 D HN 0.497 nan 8.370 nan 0.000 0.462 99 N N 0.598 119.166 118.700 -0.219 0.000 2.443 99 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 99 N C 2.111 177.555 175.510 -0.109 0.000 1.037 99 N CA 0.329 53.302 53.050 -0.129 0.000 0.896 99 N CB -0.067 38.351 38.487 -0.116 0.000 0.959 99 N HN 0.380 nan 8.380 nan 0.000 0.442 100 L N 0.813 121.947 121.223 -0.149 0.000 2.156 100 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 100 L C 0.751 177.589 176.870 -0.054 0.000 1.095 100 L CA 0.272 55.049 54.840 -0.105 0.000 0.770 100 L CB -0.261 41.717 42.059 -0.136 0.000 0.914 100 L HN 0.050 nan 8.230 nan 0.000 0.439 101 L N 0.675 121.871 121.223 -0.046 0.000 2.559 101 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 101 L C 1.351 178.226 176.870 0.009 0.000 1.205 101 L CA 0.684 55.527 54.840 0.005 0.000 0.907 101 L CB -0.116 41.960 42.059 0.028 0.000 1.153 101 L HN 0.392 nan 8.230 nan 0.000 0.490 102 G N 1.460 110.275 108.800 0.024 0.000 2.176 102 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 102 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 102 G C 0.193 175.099 174.900 0.011 0.000 0.979 102 G CA -0.370 44.742 45.100 0.020 0.000 0.641 102 G HN 0.567 nan 8.290 nan 0.000 0.530 103 E N 0.967 121.170 120.200 0.004 0.000 2.277 103 E HA 0.329 4.679 4.350 -0.000 0.000 0.274 103 E C -0.484 176.116 176.600 -0.001 0.000 1.022 103 E CA -0.657 55.741 56.400 -0.003 0.000 0.853 103 E CB 1.178 30.870 29.700 -0.013 0.000 1.086 103 E HN 0.257 nan 8.360 nan 0.000 0.397 104 D N 3.817 124.212 120.400 -0.008 0.000 2.346 104 D HA 0.022 4.662 4.640 -0.000 0.000 0.260 104 D C -1.461 174.819 176.300 -0.033 0.000 1.252 104 D CA -1.701 52.291 54.000 -0.014 0.000 0.895 104 D CB 0.957 41.744 40.800 -0.021 0.000 1.097 104 D HN 0.063 nan 8.370 nan 0.000 0.489 105 P HA -0.115 nan 4.420 nan 0.000 0.228 105 P C 0.336 177.563 177.300 -0.122 0.000 1.151 105 P CA 0.804 63.867 63.100 -0.061 0.000 0.770 105 P CB 0.331 32.011 31.700 -0.032 0.000 0.786 106 N N -0.138 118.487 118.700 -0.125 0.000 2.416 106 N HA -0.044 4.696 4.740 -0.000 0.000 0.177 106 N C 0.150 175.555 175.510 -0.175 0.000 1.036 106 N CA 0.480 53.424 53.050 -0.176 0.000 0.901 106 N CB -0.279 38.119 38.487 -0.149 0.000 0.976 106 N HN 0.042 nan 8.380 nan 0.000 0.444 107 D N 0.764 121.095 120.400 -0.115 0.000 2.619 107 D HA 0.127 4.767 4.640 -0.000 0.000 0.224 107 D C 1.044 177.296 176.300 -0.080 0.000 1.133 107 D CA -0.008 53.941 54.000 -0.086 0.000 1.017 107 D CB -0.022 40.752 40.800 -0.044 0.000 1.077 107 D HN 0.274 nan 8.370 nan 0.000 0.503 108 I N 0.110 120.593 120.570 -0.145 0.000 2.163 108 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 108 I C 1.669 177.808 176.117 0.036 0.000 1.085 108 I CA 1.087 62.318 61.300 -0.115 0.000 1.347 108 I CB 0.105 37.904 38.000 -0.335 0.000 1.044 108 I HN 0.048 nan 8.210 nan 0.000 0.408 109 D N 0.750 121.167 120.400 0.029 0.000 2.144 109 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 109 D C 2.081 178.442 176.300 0.101 0.000 0.978 109 D CA 1.038 55.082 54.000 0.074 0.000 0.833 109 D CB -0.174 40.639 40.800 0.022 0.000 0.961 109 D HN 0.274 nan 8.370 nan 0.000 0.470 110 K N 0.570 121.005 120.400 0.059 0.000 2.057 110 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 110 K C 2.213 178.867 176.600 0.089 0.000 1.049 110 K CA 0.785 57.112 56.287 0.067 0.000 0.931 110 K CB -0.083 32.435 32.500 0.030 0.000 0.714 110 K HN 0.082 nan 8.250 nan 0.000 0.440 111 I N -0.072 120.539 120.570 0.068 0.000 2.252 111 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 111 I C 2.153 178.321 176.117 0.085 0.000 1.102 111 I CA 1.188 62.519 61.300 0.051 0.000 1.385 111 I CB -0.331 37.674 38.000 0.008 0.000 1.064 111 I HN 0.237 nan 8.210 nan 0.000 0.414 112 Y N 1.637 121.946 120.300 0.015 0.000 2.114 112 Y HA -0.356 4.194 4.550 -0.000 0.000 0.282 112 Y C 2.833 178.748 175.900 0.025 0.000 1.165 112 Y CA 2.384 60.498 58.100 0.023 0.000 1.148 112 Y CB -0.304 38.177 38.460 0.034 0.000 0.972 112 Y HN 0.095 nan 8.280 nan 0.000 0.504 113 T N 0.097 114.821 114.554 0.284 0.000 2.720 113 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 113 T C 1.847 176.707 174.700 0.267 0.000 1.037 113 T CA 1.755 63.987 62.100 0.219 0.000 1.144 113 T CB -0.271 68.734 68.868 0.229 0.000 0.864 113 T HN 0.292 nan 8.240 nan 0.000 0.444 114 K N 0.717 121.253 120.400 0.226 0.000 2.097 114 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 114 K C 2.194 178.879 176.600 0.142 0.000 1.050 114 K CA 0.971 57.385 56.287 0.211 0.000 0.938 114 K CB -0.232 32.329 32.500 0.102 0.000 0.718 114 K HN 0.307 nan 8.250 nan 0.000 0.442 115 L N 0.882 122.131 121.223 0.042 0.000 2.093 115 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 115 L C 2.378 179.243 176.870 -0.008 0.000 1.085 115 L CA 0.763 55.578 54.840 -0.042 0.000 0.755 115 L CB -0.305 41.655 42.059 -0.166 0.000 0.904 115 L HN 0.226 nan 8.230 nan 0.000 0.435 116 L N -1.685 119.538 121.223 0.000 0.000 2.056 116 L HA -0.200 4.139 4.340 -0.000 0.000 0.207 116 L C 2.384 179.211 176.870 -0.071 0.000 1.078 116 L CA 1.607 56.415 54.840 -0.053 0.000 0.749 116 L CB -0.437 41.555 42.059 -0.111 0.000 0.901 116 L HN 0.332 nan 8.230 nan 0.000 0.433 117 W N -0.554 120.769 121.300 0.039 0.000 2.402 117 W HA -0.133 4.527 4.660 -0.000 0.000 0.286 117 W C 2.618 179.147 176.519 0.017 0.000 1.221 117 W CA 0.770 58.131 57.345 0.027 0.000 1.257 117 W CB -0.205 29.266 29.460 0.019 0.000 1.120 117 W HN 0.097 nan 8.180 nan 0.000 0.551 118 A N -0.172 122.777 122.820 0.214 0.000 2.019 118 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 118 A C 1.843 179.488 177.584 0.101 0.000 1.164 118 A CA 1.623 53.726 52.037 0.111 0.000 0.644 118 A CB -0.932 18.080 19.000 0.021 0.000 0.805 118 A HN 0.229 nan 8.150 nan 0.000 0.449 119 G N -1.875 106.996 108.800 0.119 0.000 4.637 119 G HA2 0.452 4.412 3.960 -0.000 0.000 0.294 119 G HA3 0.452 4.412 3.960 -0.000 0.000 0.294 119 G C 0.840 175.789 174.900 0.083 0.000 1.215 119 G CA 0.729 45.926 45.100 0.161 0.000 0.943 119 G HN 0.531 nan 8.290 nan 0.000 0.572 120 A N 0.369 123.234 122.820 0.075 0.000 1.940 120 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 120 A C 2.514 180.103 177.584 0.008 0.000 1.176 120 A CA 2.238 54.282 52.037 0.013 0.000 0.631 120 A CB -0.375 18.686 19.000 0.101 0.000 0.814 120 A HN 0.521 nan 8.150 nan 0.000 0.446 121 S N -0.629 115.093 115.700 0.037 0.000 2.442 121 S HA -0.096 4.374 4.470 -0.000 0.000 0.236 121 S C 1.430 176.022 174.600 -0.013 0.000 1.007 121 S CA 1.535 59.747 58.200 0.020 0.000 0.965 121 S CB -0.499 62.721 63.200 0.033 0.000 0.773 121 S HN 0.915 nan 8.310 nan 0.000 0.504 122 V N -1.519 118.374 119.914 -0.035 0.000 3.342 122 V HA 0.662 4.782 4.120 -0.000 0.000 0.322 122 V C 0.815 176.856 176.094 -0.087 0.000 1.370 122 V CA -0.048 62.201 62.300 -0.085 0.000 1.170 122 V CB -1.016 30.698 31.823 -0.180 0.000 1.101 122 V HN 0.502 nan 8.190 nan 0.000 0.442 123 G N 1.603 110.365 108.800 -0.063 0.000 2.728 123 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.294 123 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.294 123 G C -0.078 174.792 174.900 -0.051 0.000 1.342 123 G CA -0.072 44.994 45.100 -0.057 0.000 0.866 123 G HN 0.482 nan 8.290 nan 0.000 0.534 124 R N 0.071 120.553 120.500 -0.029 0.000 2.659 124 R HA 0.492 4.832 4.340 -0.000 0.000 0.418 124 R C 0.515 176.840 176.300 0.042 0.000 1.076 124 R CA 0.486 56.589 56.100 0.005 0.000 1.093 124 R CB 0.709 30.999 30.300 -0.017 0.000 1.400 124 R HN 1.092 nan 8.270 nan 0.000 0.583 125 S N -1.750 113.966 115.700 0.026 0.000 2.656 125 S HA 0.796 5.266 4.470 -0.000 0.000 0.273 125 S C 0.341 174.951 174.600 0.018 0.000 1.168 125 S CA -0.231 57.994 58.200 0.042 0.000 0.817 125 S CB 1.992 65.215 63.200 0.038 0.000 1.146 125 S HN 0.312 nan 8.310 nan 0.000 0.475 126 G N 1.286 110.102 108.800 0.027 0.000 2.562 126 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.250 126 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.250 126 G C 0.674 175.569 174.900 -0.007 0.000 1.269 126 G CA 0.415 45.518 45.100 0.005 0.000 0.919 126 G HN 1.331 nan 8.290 nan 0.000 0.574 127 M N 0.162 119.742 119.600 -0.032 0.000 2.106 127 M HA -0.068 4.412 4.480 -0.000 0.000 0.259 127 M C 2.881 179.147 176.300 -0.056 0.000 1.068 127 M CA 3.253 58.529 55.300 -0.041 0.000 1.100 127 M CB -0.540 32.028 32.600 -0.053 0.000 1.351 127 M HN 1.164 nan 8.290 nan 0.000 0.404 128 A N -0.537 122.210 122.820 -0.122 0.000 1.908 128 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 128 A C 1.988 179.577 177.584 0.008 0.000 1.181 128 A CA 2.035 53.972 52.037 -0.168 0.000 0.627 128 A CB -1.295 17.560 19.000 -0.242 0.000 0.818 128 A HN 0.581 nan 8.150 nan 0.000 0.445 129 V N -3.022 116.909 119.914 0.028 0.000 2.871 129 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 129 V C 1.872 178.009 176.094 0.073 0.000 1.082 129 V CA 1.804 64.151 62.300 0.078 0.000 1.105 129 V CB -0.941 30.981 31.823 0.166 0.000 0.713 129 V HN 0.577 nan 8.190 nan 0.000 0.473 130 Q N 0.555 120.386 119.800 0.052 0.000 2.436 130 Q HA 0.178 4.518 4.340 -0.000 0.000 0.209 130 Q C 2.246 178.273 176.000 0.045 0.000 0.965 130 Q CA 1.207 57.036 55.803 0.044 0.000 0.910 130 Q CB -0.108 28.634 28.738 0.007 0.000 0.980 130 Q HN 0.801 nan 8.270 nan 0.000 0.491 131 A N 0.097 122.950 122.820 0.054 0.000 2.081 131 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 131 A C 1.786 179.368 177.584 -0.004 0.000 1.158 131 A CA 0.389 52.462 52.037 0.061 0.000 0.724 131 A CB -0.011 19.088 19.000 0.165 0.000 0.826 131 A HN 0.250 nan 8.150 nan 0.000 0.463 132 I N -0.693 119.852 120.570 -0.042 0.000 2.716 132 I HA -0.120 4.050 4.170 -0.000 0.000 0.259 132 I C 2.412 178.476 176.117 -0.088 0.000 1.172 132 I CA 0.594 61.791 61.300 -0.171 0.000 1.478 132 I CB -0.159 37.582 38.000 -0.432 0.000 1.104 132 I HN 0.183 nan 8.210 nan 0.000 0.439 133 S N 1.653 117.359 115.700 0.011 0.000 2.380 133 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 133 S C -0.347 174.282 174.600 0.048 0.000 1.050 133 S CA 1.993 60.234 58.200 0.068 0.000 1.100 133 S CB -1.483 61.762 63.200 0.074 0.000 0.984 133 S HN 0.291 nan 8.310 nan 0.000 0.434 134 P HA -0.090 nan 4.420 nan 0.000 0.215 134 P C 1.333 178.667 177.300 0.057 0.000 1.157 134 P CA 1.088 64.230 63.100 0.070 0.000 0.874 134 P CB -0.118 31.644 31.700 0.103 0.000 0.790 135 I N -0.692 119.888 120.570 0.016 0.000 2.202 135 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 135 I C 2.222 178.361 176.117 0.038 0.000 1.091 135 I CA 1.830 63.127 61.300 -0.004 0.000 1.368 135 I CB -0.752 37.201 38.000 -0.078 0.000 1.058 135 I HN -0.038 nan 8.210 nan 0.000 0.410 136 D N 1.317 121.758 120.400 0.068 0.000 2.097 136 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 136 D C 2.179 178.650 176.300 0.284 0.000 0.989 136 D CA 1.472 55.595 54.000 0.204 0.000 0.827 136 D CB -0.012 40.991 40.800 0.339 0.000 0.966 136 D HN 0.275 nan 8.370 nan 0.000 0.456 137 I N 0.425 121.110 120.570 0.192 0.000 2.226 137 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 137 I C 2.500 178.712 176.117 0.159 0.000 1.100 137 I CA 1.020 62.413 61.300 0.155 0.000 1.374 137 I CB -0.398 37.598 38.000 -0.007 0.000 1.057 137 I HN 0.093 nan 8.210 nan 0.000 0.413 138 A N 0.973 123.865 122.820 0.121 0.000 1.902 138 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 138 A C 2.301 179.944 177.584 0.098 0.000 1.181 138 A CA 1.408 53.515 52.037 0.116 0.000 0.623 138 A CB -0.809 18.253 19.000 0.103 0.000 0.818 138 A HN 0.393 nan 8.150 nan 0.000 0.443 139 L N -2.880 118.384 121.223 0.069 0.000 2.093 139 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 139 L C 2.555 179.384 176.870 -0.068 0.000 1.085 139 L CA 1.159 55.986 54.840 -0.023 0.000 0.755 139 L CB -0.453 41.554 42.059 -0.086 0.000 0.904 139 L HN 0.606 nan 8.230 nan 0.000 0.435 140 W N 0.613 121.908 121.300 -0.008 0.000 2.388 140 W HA -0.199 4.461 4.660 -0.000 0.000 0.294 140 W C 2.365 178.855 176.519 -0.050 0.000 1.212 140 W CA 1.351 58.677 57.345 -0.031 0.000 1.271 140 W CB -0.206 29.233 29.460 -0.035 0.000 1.126 140 W HN 0.230 nan 8.180 nan 0.000 0.535 141 D N -0.162 120.348 120.400 0.183 0.000 2.117 141 D HA -0.255 4.385 4.640 -0.000 0.000 0.197 141 D C 2.143 178.486 176.300 0.073 0.000 0.987 141 D CA 1.731 55.790 54.000 0.099 0.000 0.829 141 D CB -0.336 40.526 40.800 0.104 0.000 0.961 141 D HN 0.062 nan 8.370 nan 0.000 0.460 142 M N -0.157 119.476 119.600 0.055 0.000 2.099 142 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 142 M C 2.158 178.407 176.300 -0.086 0.000 1.067 142 M CA 1.446 56.759 55.300 0.022 0.000 1.124 142 M CB -0.090 32.522 32.600 0.020 0.000 1.353 142 M HN -0.090 nan 8.290 nan 0.000 0.410 143 K N 0.112 120.436 120.400 -0.126 0.000 2.097 143 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 143 K C 1.745 178.270 176.600 -0.124 0.000 1.049 143 K CA 1.518 57.691 56.287 -0.191 0.000 0.933 143 K CB -0.179 32.171 32.500 -0.250 0.000 0.717 143 K HN 0.439 nan 8.250 nan 0.000 0.442 144 A N 1.313 124.114 122.820 -0.032 0.000 1.898 144 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 144 A C 1.898 179.448 177.584 -0.056 0.000 1.181 144 A CA 1.653 53.675 52.037 -0.025 0.000 0.620 144 A CB -0.343 18.659 19.000 0.003 0.000 0.819 144 A HN 0.309 nan 8.150 nan 0.000 0.442 145 K N -0.774 119.627 120.400 0.001 0.000 2.097 145 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 145 K C 2.328 178.954 176.600 0.043 0.000 1.049 145 K CA 1.374 57.715 56.287 0.090 0.000 0.933 145 K CB -0.178 32.436 32.500 0.189 0.000 0.717 145 K HN 0.468 nan 8.250 nan 0.000 0.442 146 R N 0.742 121.147 120.500 -0.159 0.000 2.127 146 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 146 R C 1.746 177.947 176.300 -0.164 0.000 1.134 146 R CA 1.474 57.332 56.100 -0.404 0.000 0.975 146 R CB -0.086 29.735 30.300 -0.799 0.000 0.865 146 R HN 0.173 nan 8.270 nan 0.000 0.447 147 A N -0.303 122.431 122.820 -0.143 0.000 2.218 147 A HA 0.228 4.548 4.320 -0.000 0.000 0.209 147 A C 1.147 178.641 177.584 -0.150 0.000 1.168 147 A CA 0.590 52.558 52.037 -0.115 0.000 0.804 147 A CB 0.009 18.948 19.000 -0.101 0.000 0.834 147 A HN 0.520 nan 8.150 nan 0.000 0.482 148 G N -0.660 108.007 108.800 -0.223 0.000 2.272 148 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.280 148 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.280 148 G C -0.224 174.165 174.900 -0.851 0.000 1.067 148 G CA 0.663 45.425 45.100 -0.563 0.000 0.902 148 G HN 0.579 nan 8.290 nan 0.000 0.500 149 L N -1.410 119.471 121.223 -0.569 0.000 2.376 149 L HA 0.579 4.919 4.340 -0.000 0.000 0.258 149 L C -2.472 174.334 176.870 -0.106 0.000 1.013 149 L CA -2.740 51.928 54.840 -0.286 0.000 0.822 149 L CB 2.488 44.470 42.059 -0.128 0.000 1.388 149 L HN -0.161 nan 8.230 nan 0.000 0.413 150 P HA 0.074 nan 4.420 nan 0.000 0.271 150 P C 0.408 177.701 177.300 -0.013 0.000 1.218 150 P CA -0.425 62.719 63.100 0.073 0.000 0.780 150 P CB 0.768 32.570 31.700 0.170 0.000 0.901 151 L N 4.189 125.273 121.223 -0.231 0.000 2.051 151 L HA -0.269 4.071 4.340 -0.000 0.000 0.214 151 L C 2.070 178.929 176.870 -0.019 0.000 1.076 151 L CA 2.555 57.260 54.840 -0.225 0.000 0.758 151 L CB -1.604 40.132 42.059 -0.539 0.000 0.890 151 L HN 0.427 nan 8.230 nan 0.000 0.433 152 A N -0.872 122.070 122.820 0.204 0.000 1.948 152 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 152 A C 2.246 179.879 177.584 0.081 0.000 1.177 152 A CA 1.923 54.071 52.037 0.186 0.000 0.636 152 A CB -0.521 18.616 19.000 0.229 0.000 0.815 152 A HN 0.465 nan 8.150 nan 0.000 0.449 153 K N -0.848 119.593 120.400 0.068 0.000 2.167 153 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 153 K C 1.859 178.469 176.600 0.017 0.000 1.052 153 K CA 1.002 57.306 56.287 0.027 0.000 0.956 153 K CB -0.635 31.876 32.500 0.019 0.000 0.735 153 K HN 0.488 nan 8.250 nan 0.000 0.451 154 L N 1.174 122.413 121.223 0.026 0.000 2.083 154 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 154 L C 1.926 178.843 176.870 0.078 0.000 1.083 154 L CA 1.416 56.286 54.840 0.049 0.000 0.752 154 L CB -0.303 41.806 42.059 0.083 0.000 0.899 154 L HN 0.029 nan 8.230 nan 0.000 0.433 155 L N -0.234 121.026 121.223 0.061 0.000 2.179 155 L HA 0.233 4.573 4.340 -0.000 0.000 0.208 155 L C 0.866 177.750 176.870 0.024 0.000 1.096 155 L CA 0.448 55.312 54.840 0.041 0.000 0.779 155 L CB -0.784 41.264 42.059 -0.018 0.000 0.922 155 L HN 0.489 nan 8.230 nan 0.000 0.443 156 G N 0.451 109.254 108.800 0.004 0.000 3.380 156 G HA2 0.115 4.075 3.960 -0.000 0.000 0.685 156 G HA3 0.115 4.075 3.960 -0.000 0.000 0.685 156 G C -0.519 174.337 174.900 -0.073 0.000 1.136 156 G CA -0.511 44.562 45.100 -0.045 0.000 1.011 156 G HN 0.378 nan 8.290 nan 0.000 0.471 157 A N 3.057 125.829 122.820 -0.081 0.000 2.295 157 A HA 0.844 5.164 4.320 -0.000 0.000 0.318 157 A C 0.748 178.226 177.584 -0.176 0.000 1.134 157 A CA -0.434 51.565 52.037 -0.062 0.000 0.827 157 A CB 0.765 19.759 19.000 -0.010 0.000 1.136 157 A HN 0.878 nan 8.150 nan 0.000 0.493 158 H N 0.600 119.663 119.070 -0.011 0.000 2.705 158 H HA 0.152 4.708 4.556 0.000 0.000 0.269 158 H C 0.170 175.475 175.328 -0.039 0.000 0.998 158 H CA 0.763 56.796 56.048 -0.025 0.000 1.193 158 H CB 0.503 30.246 29.762 -0.031 0.000 1.485 158 H HN 0.763 nan 8.280 nan 0.000 0.521 159 R N -0.412 120.114 120.500 0.043 0.000 2.692 159 R HA 0.220 4.560 4.340 -0.000 0.000 0.269 159 R C -1.255 174.998 176.300 -0.078 0.000 1.030 159 R CA -0.643 55.435 56.100 -0.037 0.000 0.882 159 R CB 1.081 31.340 30.300 -0.069 0.000 1.250 159 R HN -0.252 nan 8.270 nan 0.000 0.465 160 D N 0.507 120.823 120.400 -0.140 0.000 2.369 160 D HA 0.092 4.732 4.640 -0.000 0.000 0.211 160 D C -0.199 175.909 176.300 -0.321 0.000 1.077 160 D CA 0.610 54.532 54.000 -0.131 0.000 0.842 160 D CB 0.820 41.617 40.800 -0.004 0.000 0.947 160 D HN 0.580 nan 8.370 nan 0.000 0.509 161 S N -0.961 114.432 115.700 -0.513 0.000 2.596 161 S HA 0.628 5.098 4.470 -0.000 0.000 0.270 161 S C -1.018 173.304 174.600 -0.464 0.000 1.155 161 S CA -0.762 56.997 58.200 -0.736 0.000 0.827 161 S CB 2.521 64.664 63.200 -1.762 0.000 1.130 161 S HN -0.185 nan 8.310 nan 0.000 0.467 162 V N 1.790 121.481 119.914 -0.373 0.000 2.709 162 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 162 V C -0.350 175.591 176.094 -0.256 0.000 1.062 162 V CA -0.789 61.359 62.300 -0.253 0.000 0.901 162 V CB 1.830 33.574 31.823 -0.132 0.000 1.003 162 V HN 0.997 nan 8.190 nan 0.000 0.425 163 Q N 1.815 121.402 119.800 -0.356 0.000 2.304 163 Q HA 0.149 4.489 4.340 -0.000 0.000 0.301 163 Q C -0.277 175.599 176.000 -0.207 0.000 1.063 163 Q CA 0.453 55.963 55.803 -0.488 0.000 0.947 163 Q CB 0.709 28.741 28.738 -1.176 0.000 1.201 163 Q HN 0.745 nan 8.270 nan 0.000 0.389 164 C N 3.998 123.289 119.300 -0.015 0.000 2.626 164 C HA 0.737 5.197 4.460 -0.000 0.000 0.310 164 C C -1.442 173.764 174.990 0.361 0.000 1.191 164 C CA -0.626 58.503 59.018 0.183 0.000 1.517 164 C CB 0.391 28.174 27.740 0.071 0.000 2.102 164 C HN 0.843 nan 8.230 nan 0.000 0.479 165 Y N 4.235 124.710 120.300 0.292 0.000 2.536 165 Y HA 0.602 5.152 4.550 -0.000 0.000 0.347 165 Y C -0.588 175.341 175.900 0.050 0.000 1.000 165 Y CA -1.040 57.146 58.100 0.143 0.000 1.051 165 Y CB 0.844 39.288 38.460 -0.025 0.000 1.259 165 Y HN 0.710 nan 8.280 nan 0.000 0.468 166 N N 1.154 119.885 118.700 0.052 0.000 2.443 166 N HA 0.321 5.061 4.740 -0.000 0.000 0.295 166 N C -0.591 174.847 175.510 -0.120 0.000 1.076 166 N CA -0.096 52.903 53.050 -0.085 0.000 0.919 166 N CB 2.168 40.623 38.487 -0.054 0.000 1.176 166 N HN 0.982 nan 8.380 nan 0.000 0.487 167 T N 0.233 114.545 114.554 -0.403 0.000 3.019 167 T HA -0.042 4.308 4.350 -0.000 0.000 0.247 167 T C 1.741 176.083 174.700 -0.597 0.000 0.992 167 T CA 0.629 62.422 62.100 -0.511 0.000 1.036 167 T CB -0.239 68.259 68.868 -0.617 0.000 1.063 167 T HN 0.714 nan 8.240 nan 0.000 0.476 168 S N 1.426 116.768 115.700 -0.596 0.000 2.493 168 S HA -0.013 4.457 4.470 -0.000 0.000 0.243 168 S C 1.952 176.670 174.600 0.196 0.000 0.991 168 S CA 1.124 59.323 58.200 -0.002 0.000 0.957 168 S CB -0.606 62.544 63.200 -0.083 0.000 0.756 168 S HN 0.500 nan 8.310 nan 0.000 0.521 169 G N 0.050 108.847 108.800 -0.005 0.000 3.126 169 G HA2 0.465 4.425 3.960 -0.000 0.000 0.224 169 G HA3 0.465 4.425 3.960 -0.000 0.000 0.224 169 G C 0.660 175.535 174.900 -0.041 0.000 1.142 169 G CA 0.074 45.193 45.100 0.031 0.000 0.759 169 G HN 0.621 nan 8.290 nan 0.000 0.550 170 G N 0.202 108.900 108.800 -0.169 0.000 4.144 170 G HA2 0.450 4.410 3.960 -0.000 0.000 0.297 170 G HA3 0.450 4.410 3.960 -0.000 0.000 0.297 170 G C -0.426 174.305 174.900 -0.282 0.000 1.090 170 G CA -0.521 44.452 45.100 -0.213 0.000 0.870 170 G HN 0.101 nan 8.290 nan 0.000 0.532 171 F N -0.100 119.778 119.950 -0.121 0.000 2.378 171 F HA 0.358 4.885 4.527 -0.000 0.000 0.319 171 F C 1.748 177.404 175.800 -0.239 0.000 1.155 171 F CA -0.583 57.329 58.000 -0.147 0.000 1.157 171 F CB 1.183 40.116 39.000 -0.112 0.000 1.252 171 F HN -0.108 nan 8.300 nan 0.000 0.550 172 L N 0.586 121.877 121.223 0.113 0.000 2.275 172 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 172 L C 1.955 178.842 176.870 0.028 0.000 1.119 172 L CA 1.035 55.905 54.840 0.050 0.000 0.790 172 L CB -0.690 41.431 42.059 0.103 0.000 0.919 172 L HN 0.741 nan 8.230 nan 0.000 0.443 173 H N -3.112 116.044 119.070 0.143 0.000 2.556 173 H HA 0.088 4.644 4.556 -0.000 0.000 0.268 173 H C 0.247 175.629 175.328 0.090 0.000 0.996 173 H CA 0.013 56.116 56.048 0.091 0.000 1.157 173 H CB -0.753 29.049 29.762 0.067 0.000 1.355 173 H HN -0.057 nan 8.280 nan 0.000 0.597 174 T N 3.388 117.814 114.554 -0.213 0.000 2.744 174 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 174 T C -2.475 172.216 174.700 -0.015 0.000 0.957 174 T CA -1.483 60.571 62.100 -0.076 0.000 1.002 174 T CB 1.435 70.228 68.868 -0.125 0.000 0.919 174 T HN 0.171 nan 8.240 nan 0.000 0.468 175 P HA 0.062 nan 4.420 nan 0.000 0.267 175 P C 1.034 178.336 177.300 0.003 0.000 1.200 175 P CA -0.535 62.575 63.100 0.018 0.000 0.772 175 P CB 0.513 32.230 31.700 0.029 0.000 0.855 176 L N 3.631 124.853 121.223 -0.002 0.000 1.978 176 L HA -0.260 4.080 4.340 -0.000 0.000 0.218 176 L C 1.798 178.661 176.870 -0.011 0.000 1.075 176 L CA 2.460 57.293 54.840 -0.012 0.000 0.767 176 L CB -1.372 40.681 42.059 -0.009 0.000 0.890 176 L HN 0.508 nan 8.230 nan 0.000 0.434 177 D N -1.493 118.906 120.400 -0.003 0.000 2.182 177 D HA -0.295 4.345 4.640 -0.000 0.000 0.201 177 D C 1.976 178.275 176.300 -0.000 0.000 0.986 177 D CA 1.579 55.578 54.000 -0.002 0.000 0.847 177 D CB -0.519 40.283 40.800 0.003 0.000 0.942 177 D HN 0.543 nan 8.370 nan 0.000 0.467 178 Q N 0.649 120.453 119.800 0.007 0.000 2.123 178 Q HA -0.013 4.327 4.340 -0.000 0.000 0.199 178 Q C 2.136 178.139 176.000 0.005 0.000 0.966 178 Q CA 1.009 56.821 55.803 0.015 0.000 0.845 178 Q CB -0.367 28.390 28.738 0.032 0.000 0.907 178 Q HN 0.221 nan 8.270 nan 0.000 0.439 179 V N 0.590 120.498 119.914 -0.010 0.000 2.295 179 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 179 V C 2.303 178.376 176.094 -0.034 0.000 1.049 179 V CA 1.780 64.063 62.300 -0.028 0.000 1.024 179 V CB -0.641 31.154 31.823 -0.047 0.000 0.648 179 V HN 0.384 nan 8.190 nan 0.000 0.447 180 L N -0.572 120.631 121.223 -0.033 0.000 2.079 180 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 180 L C 2.588 179.437 176.870 -0.036 0.000 1.081 180 L CA 1.686 56.502 54.840 -0.040 0.000 0.752 180 L CB -0.699 41.340 42.059 -0.033 0.000 0.896 180 L HN 0.319 nan 8.230 nan 0.000 0.433 181 K N -0.083 120.305 120.400 -0.020 0.000 2.057 181 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 181 K C 1.925 178.517 176.600 -0.013 0.000 1.050 181 K CA 1.201 57.480 56.287 -0.012 0.000 0.935 181 K CB -0.188 32.314 32.500 0.003 0.000 0.715 181 K HN 0.328 nan 8.250 nan 0.000 0.439 182 N N 0.858 119.555 118.700 -0.006 0.000 2.166 182 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 182 N C 1.930 177.424 175.510 -0.027 0.000 1.019 182 N CA 0.934 53.983 53.050 -0.001 0.000 0.856 182 N CB -0.401 38.093 38.487 0.012 0.000 0.993 182 N HN -0.048 nan 8.380 nan 0.000 0.426 183 V N 1.184 121.068 119.914 -0.049 0.000 2.255 183 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 183 V C 2.526 178.558 176.094 -0.103 0.000 1.051 183 V CA 1.294 63.544 62.300 -0.084 0.000 1.018 183 V CB -0.582 31.178 31.823 -0.105 0.000 0.641 183 V HN 0.054 nan 8.190 nan 0.000 0.445 184 V N -0.156 119.708 119.914 -0.084 0.000 2.287 184 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 184 V C 2.190 178.249 176.094 -0.058 0.000 1.053 184 V CA 2.413 64.665 62.300 -0.081 0.000 1.027 184 V CB -0.512 31.278 31.823 -0.055 0.000 0.646 184 V HN 0.448 nan 8.190 nan 0.000 0.447 185 I N -0.131 120.418 120.570 -0.035 0.000 2.163 185 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 185 I C 2.581 178.684 176.117 -0.024 0.000 1.085 185 I CA 1.814 63.103 61.300 -0.017 0.000 1.347 185 I CB -0.507 37.495 38.000 0.003 0.000 1.044 185 I HN 0.279 nan 8.210 nan 0.000 0.408 186 S N 0.150 115.829 115.700 -0.034 0.000 2.356 186 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 186 S C 2.091 176.673 174.600 -0.029 0.000 1.032 186 S CA 1.287 59.463 58.200 -0.039 0.000 1.005 186 S CB -0.338 62.841 63.200 -0.034 0.000 0.867 186 S HN 0.344 nan 8.310 nan 0.000 0.449 187 R N 0.874 121.334 120.500 -0.067 0.000 2.096 187 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 187 R C 2.051 178.332 176.300 -0.032 0.000 1.127 187 R CA 1.186 57.236 56.100 -0.083 0.000 0.968 187 R CB -0.099 30.051 30.300 -0.250 0.000 0.861 187 R HN 0.195 nan 8.270 nan 0.000 0.440 188 E N 0.133 120.312 120.200 -0.036 0.000 2.204 188 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 188 E C 0.912 177.513 176.600 0.001 0.000 0.989 188 E CA 0.897 57.288 56.400 -0.016 0.000 0.824 188 E CB 0.049 29.739 29.700 -0.016 0.000 0.756 188 E HN 0.296 nan 8.360 nan 0.000 0.477 189 N N -0.618 118.081 118.700 -0.002 0.000 2.398 189 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 189 N C 0.353 175.873 175.510 0.016 0.000 1.122 189 N CA 0.853 53.905 53.050 0.002 0.000 0.866 189 N CB 1.050 39.528 38.487 -0.017 0.000 0.970 189 N HN 0.215 nan 8.380 nan 0.000 0.462 190 G N 1.560 110.383 108.800 0.039 0.000 2.165 190 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 190 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 190 G C -0.023 174.935 174.900 0.098 0.000 1.035 190 G CA -0.329 44.817 45.100 0.076 0.000 0.744 190 G HN 0.283 nan 8.290 nan 0.000 0.501 191 I N 0.751 121.387 120.570 0.110 0.000 2.696 191 I HA 0.573 4.743 4.170 -0.000 0.000 0.284 191 I C 1.539 177.824 176.117 0.280 0.000 1.129 191 I CA 0.872 62.256 61.300 0.140 0.000 1.410 191 I CB 1.342 39.411 38.000 0.115 0.000 1.399 191 I HN 0.148 nan 8.210 nan 0.000 0.579 192 G N 4.293 113.210 108.800 0.195 0.000 3.088 192 G HA2 0.540 4.500 3.960 -0.000 0.000 0.217 192 G HA3 0.540 4.500 3.960 -0.000 0.000 0.217 192 G C 0.298 175.157 174.900 -0.069 0.000 1.159 192 G CA 0.488 45.630 45.100 0.070 0.000 0.760 192 G HN 1.004 nan 8.290 nan 0.000 0.550 193 G N -0.538 108.352 108.800 0.150 0.000 2.523 193 G HA2 0.469 4.429 3.960 -0.000 0.000 0.291 193 G HA3 0.469 4.429 3.960 -0.000 0.000 0.291 193 G C -2.054 172.968 174.900 0.204 0.000 1.450 193 G CA -0.618 44.495 45.100 0.022 0.000 0.790 193 G HN -0.000 nan 8.290 nan 0.000 0.496 194 I N 0.334 120.926 120.570 0.036 0.000 2.569 194 I HA 0.488 4.657 4.170 -0.000 0.000 0.290 194 I C -0.466 175.520 176.117 -0.218 0.000 1.088 194 I CA -0.906 60.394 61.300 -0.001 0.000 1.047 194 I CB 2.028 40.053 38.000 0.041 0.000 1.237 194 I HN 0.597 nan 8.210 nan 0.000 0.421 195 K N 5.584 125.876 120.400 -0.180 0.000 2.323 195 K HA 0.581 4.901 4.320 -0.000 0.000 0.259 195 K C -1.539 174.907 176.600 -0.256 0.000 0.947 195 K CA -0.602 55.503 56.287 -0.302 0.000 0.819 195 K CB 1.834 34.196 32.500 -0.230 0.000 1.109 195 K HN 0.429 nan 8.250 nan 0.000 0.429 196 L N 3.995 125.062 121.223 -0.260 0.000 2.282 196 L HA 0.530 4.870 4.340 -0.000 0.000 0.288 196 L C -0.742 176.000 176.870 -0.213 0.000 1.033 196 L CA -0.086 54.617 54.840 -0.229 0.000 0.807 196 L CB 1.307 43.244 42.059 -0.203 0.000 1.209 196 L HN 0.769 nan 8.230 nan 0.000 0.423 197 A N 5.710 128.396 122.820 -0.224 0.000 2.404 197 A HA 0.582 4.902 4.320 -0.000 0.000 0.273 197 A C -0.097 177.424 177.584 -0.105 0.000 1.144 197 A CA 0.200 52.140 52.037 -0.161 0.000 0.806 197 A CB -0.176 18.751 19.000 -0.122 0.000 1.080 197 A HN 0.985 nan 8.150 nan 0.000 0.509 198 V N -0.048 119.792 119.914 -0.124 0.000 3.165 198 V HA 0.975 5.095 4.120 -0.000 0.000 0.307 198 V C 0.904 176.879 176.094 -0.197 0.000 1.281 198 V CA -0.298 61.943 62.300 -0.097 0.000 1.056 198 V CB 0.692 32.495 31.823 -0.034 0.000 1.178 198 V HN 2.365 nan 8.190 nan 0.000 0.475 199 G N 0.213 108.919 108.800 -0.158 0.000 2.144 199 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 199 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 199 G C 0.125 175.004 174.900 -0.036 0.000 0.988 199 G CA 0.399 45.298 45.100 -0.335 0.000 0.659 199 G HN 1.473 nan 8.290 nan 0.000 0.522 200 Q N 0.020 119.854 119.800 0.057 0.000 2.368 200 Q HA 0.578 4.918 4.340 -0.000 0.000 0.237 200 Q C -1.279 174.792 176.000 0.118 0.000 0.987 200 Q CA -0.951 54.895 55.803 0.072 0.000 0.896 200 Q CB 1.215 29.990 28.738 0.063 0.000 1.241 200 Q HN 0.106 nan 8.270 nan 0.000 0.485 201 P HA -0.232 nan 4.420 nan 0.000 0.217 201 P C 0.053 177.411 177.300 0.095 0.000 1.158 201 P CA 1.563 64.720 63.100 0.095 0.000 0.887 201 P CB 0.023 31.762 31.700 0.066 0.000 0.792 202 N N -0.323 118.425 118.700 0.080 0.000 2.466 202 N HA -0.020 4.720 4.740 -0.000 0.000 0.263 202 N C 0.702 176.264 175.510 0.086 0.000 1.178 202 N CA 0.029 53.120 53.050 0.069 0.000 0.983 202 N CB -0.425 38.094 38.487 0.052 0.000 1.331 202 N HN 0.030 nan 8.380 nan 0.000 0.500 203 C N 2.219 121.573 119.300 0.091 0.000 2.411 203 C HA -0.128 4.332 4.460 -0.000 0.000 0.279 203 C C 2.567 177.600 174.990 0.070 0.000 1.288 203 C CA 1.062 60.140 59.018 0.100 0.000 1.764 203 C CB -1.276 26.489 27.740 0.041 0.000 1.974 203 C HN 0.832 nan 8.230 nan 0.000 0.498 204 A N 0.472 123.321 122.820 0.049 0.000 1.933 204 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 204 A C 2.031 179.641 177.584 0.043 0.000 1.175 204 A CA 2.153 54.214 52.037 0.040 0.000 0.628 204 A CB -0.536 18.482 19.000 0.031 0.000 0.814 204 A HN 0.568 nan 8.150 nan 0.000 0.444 205 E N 0.408 120.635 120.200 0.045 0.000 2.150 205 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 205 E C 1.320 177.939 176.600 0.032 0.000 0.985 205 E CA 1.432 57.854 56.400 0.036 0.000 0.814 205 E CB -0.195 29.527 29.700 0.037 0.000 0.752 205 E HN 0.550 nan 8.360 nan 0.000 0.466 206 D N -0.116 120.314 120.400 0.050 0.000 2.123 206 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 206 D C 1.809 178.112 176.300 0.005 0.000 0.976 206 D CA 0.650 54.673 54.000 0.039 0.000 0.831 206 D CB -0.018 40.845 40.800 0.105 0.000 0.974 206 D HN 0.234 nan 8.370 nan 0.000 0.469 207 I N 1.161 121.752 120.570 0.035 0.000 2.286 207 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 207 I C 2.467 178.599 176.117 0.025 0.000 1.115 207 I CA 0.822 62.146 61.300 0.040 0.000 1.392 207 I CB -0.809 37.248 38.000 0.095 0.000 1.065 207 I HN 0.049 nan 8.210 nan 0.000 0.418 208 R N 1.321 121.836 120.500 0.025 0.000 2.073 208 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 208 R C 2.425 178.718 176.300 -0.011 0.000 1.134 208 R CA 1.481 57.594 56.100 0.021 0.000 0.952 208 R CB -0.084 30.228 30.300 0.020 0.000 0.850 208 R HN 0.267 nan 8.270 nan 0.000 0.433 209 R N 0.199 120.679 120.500 -0.033 0.000 2.075 209 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 209 R C 2.336 178.564 176.300 -0.119 0.000 1.126 209 R CA 1.166 57.230 56.100 -0.060 0.000 0.963 209 R CB -0.422 29.845 30.300 -0.055 0.000 0.858 209 R HN 0.174 nan 8.270 nan 0.000 0.435 210 L N 0.949 122.058 121.223 -0.190 0.000 2.056 210 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 210 L C 2.271 178.888 176.870 -0.422 0.000 1.078 210 L CA 2.273 56.880 54.840 -0.389 0.000 0.749 210 L CB -0.867 40.834 42.059 -0.598 0.000 0.901 210 L HN 0.320 nan 8.230 nan 0.000 0.433 211 T N -2.812 111.614 114.554 -0.214 0.000 2.708 211 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 211 T C 1.938 176.668 174.700 0.049 0.000 1.037 211 T CA 1.157 63.317 62.100 0.101 0.000 1.146 211 T CB -1.041 67.958 68.868 0.219 0.000 0.865 211 T HN 0.351 nan 8.240 nan 0.000 0.435 212 A N 1.109 123.926 122.820 -0.004 0.000 1.908 212 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 212 A C 2.653 180.220 177.584 -0.028 0.000 1.181 212 A CA 1.721 53.754 52.037 -0.008 0.000 0.627 212 A CB -1.118 17.872 19.000 -0.018 0.000 0.818 212 A HN 0.431 nan 8.150 nan 0.000 0.445 213 V N 0.058 119.933 119.914 -0.065 0.000 2.358 213 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 213 V C 2.655 178.720 176.094 -0.049 0.000 1.047 213 V CA 2.217 64.472 62.300 -0.075 0.000 1.035 213 V CB -0.795 30.959 31.823 -0.115 0.000 0.658 213 V HN 0.658 nan 8.190 nan 0.000 0.452 214 R N 0.733 121.212 120.500 -0.035 0.000 2.096 214 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 214 R C 2.156 178.493 176.300 0.061 0.000 1.127 214 R CA 1.636 57.764 56.100 0.046 0.000 0.968 214 R CB -0.678 29.733 30.300 0.185 0.000 0.861 214 R HN 0.452 nan 8.270 nan 0.000 0.440 215 E N 0.191 120.423 120.200 0.052 0.000 2.047 215 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 215 E C 1.707 178.312 176.600 0.008 0.000 0.987 215 E CA 1.563 57.986 56.400 0.039 0.000 0.799 215 E CB -0.269 29.452 29.700 0.036 0.000 0.752 215 E HN 0.390 nan 8.360 nan 0.000 0.449 216 A N 0.822 123.634 122.820 -0.015 0.000 1.898 216 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 216 A C 2.459 180.003 177.584 -0.067 0.000 1.181 216 A CA 1.104 53.116 52.037 -0.041 0.000 0.620 216 A CB -0.645 18.322 19.000 -0.056 0.000 0.819 216 A HN 0.278 nan 8.150 nan 0.000 0.442 217 L N -1.420 119.763 121.223 -0.068 0.000 2.217 217 L HA 0.190 4.530 4.340 -0.000 0.000 0.211 217 L C 1.408 178.268 176.870 -0.017 0.000 1.107 217 L CA 0.575 55.354 54.840 -0.102 0.000 0.783 217 L CB -0.829 41.208 42.059 -0.037 0.000 0.919 217 L HN 0.689 nan 8.230 nan 0.000 0.442 218 G N -0.370 108.444 108.800 0.023 0.000 2.592 218 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.684 218 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.684 218 G C -0.358 174.590 174.900 0.080 0.000 1.291 218 G CA -0.195 44.934 45.100 0.048 0.000 0.891 218 G HN 0.029 nan 8.290 nan 0.000 0.544 219 D N 0.036 120.479 120.400 0.072 0.000 2.149 219 D HA 0.015 4.655 4.640 -0.000 0.000 0.201 219 D C 2.224 178.573 176.300 0.082 0.000 0.972 219 D CA 1.622 55.665 54.000 0.071 0.000 0.835 219 D CB 0.109 40.938 40.800 0.048 0.000 0.966 219 D HN 0.643 nan 8.370 nan 0.000 0.476 220 E N -0.430 119.829 120.200 0.098 0.000 2.190 220 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 220 E C 0.354 177.022 176.600 0.114 0.000 0.978 220 E CA -0.348 56.108 56.400 0.095 0.000 0.839 220 E CB 0.083 29.835 29.700 0.088 0.000 0.787 220 E HN 0.125 nan 8.360 nan 0.000 0.473 221 F N 2.776 122.735 119.950 0.016 0.000 2.623 221 F HA -0.003 4.524 4.527 0.000 0.000 0.383 221 F C -2.043 173.748 175.800 -0.014 0.000 1.077 221 F CA -1.926 56.082 58.000 0.013 0.000 1.268 221 F CB 0.388 39.388 39.000 -0.001 0.000 1.053 221 F HN -0.176 nan 8.300 nan 0.000 0.571 222 P HA 0.089 nan 4.420 nan 0.000 0.262 222 P C -1.210 175.899 177.300 -0.319 0.000 1.199 222 P CA 0.204 63.104 63.100 -0.332 0.000 0.763 222 P CB 0.605 32.143 31.700 -0.271 0.000 0.790 223 L N 5.450 126.477 121.223 -0.327 0.000 2.408 223 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 223 L C -0.862 175.685 176.870 -0.539 0.000 0.986 223 L CA -0.569 54.069 54.840 -0.335 0.000 0.820 223 L CB 1.540 43.505 42.059 -0.156 0.000 1.303 223 L HN 0.285 nan 8.230 nan 0.000 0.411 224 M N 4.760 123.960 119.600 -0.666 0.000 2.618 224 M HA 0.817 5.297 4.480 -0.000 0.000 0.281 224 M C -1.168 174.824 176.300 -0.513 0.000 1.267 224 M CA -0.876 53.937 55.300 -0.811 0.000 0.845 224 M CB 1.650 33.238 32.600 -1.686 0.000 1.732 224 M HN 0.419 nan 8.290 nan 0.000 0.461 225 V N -1.534 118.172 119.914 -0.346 0.000 3.001 225 V HA 0.863 4.983 4.120 -0.000 0.000 0.314 225 V C -1.653 174.391 176.094 -0.082 0.000 1.099 225 V CA -0.434 61.754 62.300 -0.187 0.000 0.989 225 V CB 2.175 33.935 31.823 -0.105 0.000 1.040 225 V HN 0.967 nan 8.190 nan 0.000 0.434 226 D N 1.667 122.005 120.400 -0.103 0.000 2.575 226 D HA 0.687 5.327 4.640 -0.000 0.000 0.250 226 D C 0.321 176.504 176.300 -0.196 0.000 1.279 226 D CA 0.158 54.113 54.000 -0.076 0.000 0.925 226 D CB 2.034 42.827 40.800 -0.011 0.000 1.261 226 D HN 0.911 nan 8.370 nan 0.000 0.567 227 A N 3.654 126.269 122.820 -0.342 0.000 2.275 227 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 227 A C 0.859 178.217 177.584 -0.376 0.000 1.201 227 A CA -0.090 51.572 52.037 -0.626 0.000 0.843 227 A CB -0.324 17.843 19.000 -1.389 0.000 0.873 227 A HN 0.724 nan 8.150 nan 0.000 0.492 228 N N 0.383 118.975 118.700 -0.181 0.000 2.714 228 N HA -0.254 4.486 4.740 -0.000 0.000 0.252 228 N C -0.237 175.220 175.510 -0.088 0.000 1.014 228 N CA 1.240 54.241 53.050 -0.081 0.000 0.735 228 N CB -1.213 37.266 38.487 -0.014 0.000 0.924 228 N HN 0.789 nan 8.380 nan 0.000 0.540 229 Q N -2.974 116.769 119.800 -0.094 0.000 2.348 229 Q HA -0.284 4.056 4.340 -0.000 0.000 0.221 229 Q C 0.349 176.316 176.000 -0.055 0.000 0.735 229 Q CA 1.232 57.012 55.803 -0.039 0.000 1.351 229 Q CB -0.859 27.885 28.738 0.010 0.000 1.640 229 Q HN 0.430 nan 8.270 nan 0.000 0.667 230 Q N -0.916 118.789 119.800 -0.159 0.000 2.444 230 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 230 Q C 0.074 176.086 176.000 0.020 0.000 0.948 230 Q CA 0.753 56.492 55.803 -0.106 0.000 0.946 230 Q CB 0.236 28.886 28.738 -0.146 0.000 1.027 230 Q HN 0.319 nan 8.270 nan 0.000 0.513 231 W N 1.785 123.088 121.300 0.005 0.000 2.509 231 W HA 0.263 4.923 4.660 -0.000 0.000 0.351 231 W C 0.268 176.774 176.519 -0.020 0.000 1.107 231 W CA -1.554 55.787 57.345 -0.007 0.000 1.264 231 W CB 0.600 30.051 29.460 -0.014 0.000 1.312 231 W HN -0.017 nan 8.180 nan 0.000 0.608 232 D N -0.460 120.072 120.400 0.221 0.000 2.385 232 D HA 0.317 4.957 4.640 -0.000 0.000 0.254 232 D C 1.030 177.365 176.300 0.058 0.000 1.053 232 D CA -0.615 53.444 54.000 0.100 0.000 0.992 232 D CB 0.908 41.745 40.800 0.061 0.000 1.145 232 D HN 0.240 nan 8.370 nan 0.000 0.523 233 R N -0.156 120.354 120.500 0.016 0.000 2.119 233 R HA -0.198 4.142 4.340 -0.000 0.000 0.246 233 R C 1.578 177.856 176.300 -0.037 0.000 1.146 233 R CA 1.752 57.844 56.100 -0.014 0.000 0.962 233 R CB -0.321 29.968 30.300 -0.018 0.000 0.863 233 R HN 0.520 nan 8.270 nan 0.000 0.442 234 E N -0.162 120.016 120.200 -0.037 0.000 2.038 234 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 234 E C 2.111 178.642 176.600 -0.114 0.000 1.000 234 E CA 1.966 58.330 56.400 -0.060 0.000 0.803 234 E CB -0.489 29.184 29.700 -0.044 0.000 0.750 234 E HN 0.256 nan 8.360 nan 0.000 0.448 235 T N 0.625 115.097 114.554 -0.137 0.000 2.708 235 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 235 T C 1.940 176.338 174.700 -0.504 0.000 1.037 235 T CA 1.356 63.276 62.100 -0.300 0.000 1.146 235 T CB -0.499 68.199 68.868 -0.283 0.000 0.865 235 T HN 0.294 nan 8.240 nan 0.000 0.435 236 A N 1.406 124.035 122.820 -0.319 0.000 1.873 236 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 236 A C 2.279 179.715 177.584 -0.246 0.000 1.193 236 A CA 1.731 53.615 52.037 -0.256 0.000 0.629 236 A CB -0.888 18.146 19.000 0.058 0.000 0.826 236 A HN 0.435 nan 8.150 nan 0.000 0.447 237 I N -0.514 119.963 120.570 -0.154 0.000 2.315 237 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 237 I C 2.388 178.418 176.117 -0.145 0.000 1.117 237 I CA 1.870 63.103 61.300 -0.111 0.000 1.404 237 I CB -0.414 37.542 38.000 -0.072 0.000 1.071 237 I HN 0.412 nan 8.210 nan 0.000 0.419 238 R N -0.409 119.977 120.500 -0.190 0.000 2.081 238 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 238 R C 2.133 178.301 176.300 -0.221 0.000 1.131 238 R CA 1.618 57.610 56.100 -0.180 0.000 0.960 238 R CB -0.156 30.036 30.300 -0.179 0.000 0.856 238 R HN 0.233 nan 8.270 nan 0.000 0.436 239 M N -0.256 119.110 119.600 -0.390 0.000 2.254 239 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 239 M C 2.224 178.399 176.300 -0.208 0.000 1.066 239 M CA 1.447 56.501 55.300 -0.411 0.000 1.123 239 M CB -0.979 31.029 32.600 -0.987 0.000 1.388 239 M HN 0.405 nan 8.290 nan 0.000 0.425 240 G N 0.553 109.244 108.800 -0.182 0.000 2.421 240 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 240 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 240 G C 1.722 176.613 174.900 -0.015 0.000 1.171 240 G CA 0.384 45.457 45.100 -0.044 0.000 0.775 240 G HN 0.297 nan 8.290 nan 0.000 0.543 241 R N 0.517 120.992 120.500 -0.043 0.000 2.073 241 R HA -0.024 4.316 4.340 -0.000 0.000 0.234 241 R C 2.363 178.649 176.300 -0.023 0.000 1.134 241 R CA 1.365 57.447 56.100 -0.030 0.000 0.952 241 R CB -0.743 29.531 30.300 -0.043 0.000 0.850 241 R HN 0.294 nan 8.270 nan 0.000 0.433 242 K N 0.780 121.165 120.400 -0.025 0.000 2.209 242 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 242 K C 1.841 178.485 176.600 0.072 0.000 1.048 242 K CA 1.263 57.551 56.287 0.003 0.000 0.940 242 K CB -0.026 32.478 32.500 0.006 0.000 0.729 242 K HN 0.131 nan 8.250 nan 0.000 0.451 243 M N -0.071 119.605 119.600 0.126 0.000 2.441 243 M HA 0.060 4.540 4.480 -0.000 0.000 0.244 243 M C 1.038 177.443 176.300 0.175 0.000 1.122 243 M CA 0.198 55.680 55.300 0.303 0.000 1.041 243 M CB 0.340 33.103 32.600 0.272 0.000 1.438 243 M HN -0.007 nan 8.290 nan 0.000 0.484 244 E N 1.617 121.848 120.200 0.051 0.000 2.171 244 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 244 E C 1.909 178.489 176.600 -0.033 0.000 0.997 244 E CA 1.529 57.940 56.400 0.018 0.000 0.810 244 E CB -0.297 29.400 29.700 -0.006 0.000 0.738 244 E HN 0.734 nan 8.360 nan 0.000 0.467 245 Q N -0.474 119.238 119.800 -0.147 0.000 2.167 245 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 245 Q C 1.744 177.571 176.000 -0.288 0.000 0.970 245 Q CA 1.213 56.848 55.803 -0.280 0.000 0.855 245 Q CB -0.537 27.920 28.738 -0.469 0.000 0.911 245 Q HN 0.217 nan 8.270 nan 0.000 0.438 246 F N 1.369 121.310 119.950 -0.015 0.000 2.748 246 F HA 0.105 4.632 4.527 -0.000 0.000 0.299 246 F C -0.039 175.743 175.800 -0.029 0.000 1.154 246 F CA 0.236 58.223 58.000 -0.022 0.000 1.446 246 F CB -0.528 38.455 39.000 -0.029 0.000 1.112 246 F HN 0.062 nan 8.300 nan 0.000 0.584 247 N N 1.015 119.780 118.700 0.108 0.000 2.688 247 N HA -0.206 4.534 4.740 -0.000 0.000 0.258 247 N C -0.638 174.892 175.510 0.033 0.000 1.016 247 N CA 0.240 53.326 53.050 0.059 0.000 0.747 247 N CB -1.446 37.064 38.487 0.038 0.000 0.895 247 N HN 0.227 nan 8.380 nan 0.000 0.543 248 L N 0.096 121.334 121.223 0.026 0.000 2.473 248 L HA 0.117 4.457 4.340 -0.000 0.000 0.268 248 L C 1.876 178.661 176.870 -0.143 0.000 1.215 248 L CA -0.695 54.088 54.840 -0.095 0.000 0.823 248 L CB 0.275 42.273 42.059 -0.100 0.000 1.099 248 L HN 0.168 nan 8.230 nan 0.000 0.483 249 I N 0.068 120.425 120.570 -0.355 0.000 2.439 249 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 249 I C 0.222 176.218 176.117 -0.201 0.000 1.139 249 I CA 1.198 62.274 61.300 -0.373 0.000 1.438 249 I CB -0.769 36.704 38.000 -0.879 0.000 1.085 249 I HN 0.800 nan 8.210 nan 0.000 0.427 250 W N -0.507 120.586 121.300 -0.345 0.000 3.064 250 W HA 0.514 5.174 4.660 -0.000 0.000 0.328 250 W C -2.092 174.307 176.519 -0.200 0.000 1.210 250 W CA -1.477 55.700 57.345 -0.280 0.000 1.178 250 W CB 0.008 29.139 29.460 -0.548 0.000 1.416 250 W HN -0.358 nan 8.180 nan 0.000 0.568 251 I N 2.544 123.310 120.570 0.327 0.000 2.382 251 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 251 I C -0.148 176.119 176.117 0.249 0.000 1.002 251 I CA -0.881 60.573 61.300 0.256 0.000 1.135 251 I CB 1.059 39.199 38.000 0.233 0.000 1.288 251 I HN 0.677 nan 8.210 nan 0.000 0.448 252 E N 5.919 126.258 120.200 0.232 0.000 2.266 252 E HA 0.189 4.539 4.350 -0.000 0.000 0.277 252 E C -0.292 176.325 176.600 0.029 0.000 1.018 252 E CA -0.335 56.109 56.400 0.074 0.000 0.840 252 E CB 0.802 30.581 29.700 0.131 0.000 1.082 252 E HN 0.462 nan 8.360 nan 0.000 0.395 253 E N 2.973 123.191 120.200 0.030 0.000 2.106 253 E HA -0.184 4.166 4.350 -0.000 0.000 0.175 253 E C -1.828 174.806 176.600 0.057 0.000 1.448 253 E CA 0.080 56.530 56.400 0.083 0.000 0.672 253 E CB -0.390 29.306 29.700 -0.007 0.000 1.057 253 E HN 0.517 nan 8.360 nan 0.000 0.321 254 P HA -0.079 nan 4.420 nan 0.000 0.225 254 P C 0.608 177.960 177.300 0.086 0.000 1.156 254 P CA 1.093 64.270 63.100 0.129 0.000 0.787 254 P CB 0.423 32.313 31.700 0.317 0.000 0.802 255 L N -1.381 119.814 121.223 -0.047 0.000 2.183 255 L HA 0.445 4.785 4.340 -0.000 0.000 0.253 255 L C 0.196 177.113 176.870 0.078 0.000 1.048 255 L CA -1.350 53.445 54.840 -0.075 0.000 0.890 255 L CB 0.487 42.342 42.059 -0.340 0.000 1.476 255 L HN -0.293 nan 8.230 nan 0.000 0.455 256 D N 0.128 120.575 120.400 0.079 0.000 2.506 256 D HA 0.085 4.725 4.640 -0.000 0.000 0.234 256 D C 0.903 177.316 176.300 0.189 0.000 1.143 256 D CA 0.725 54.798 54.000 0.123 0.000 0.871 256 D CB 1.439 42.310 40.800 0.117 0.000 1.190 256 D HN 0.607 nan 8.370 nan 0.000 0.459 257 A N 3.263 126.137 122.820 0.091 0.000 2.076 257 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 257 A C 1.248 178.638 177.584 -0.324 0.000 1.160 257 A CA 1.181 53.137 52.037 -0.136 0.000 0.653 257 A CB -0.594 18.249 19.000 -0.262 0.000 0.801 257 A HN 0.751 nan 8.150 nan 0.000 0.455 258 Y N -1.173 119.126 120.300 -0.001 0.000 2.507 258 Y HA 0.173 4.723 4.550 0.000 0.000 0.254 258 Y C 0.453 176.368 175.900 0.025 0.000 1.171 258 Y CA -0.600 57.488 58.100 -0.020 0.000 1.238 258 Y CB 0.475 38.914 38.460 -0.035 0.000 1.148 258 Y HN 0.202 nan 8.280 nan 0.000 0.525 259 D N 1.266 121.780 120.400 0.190 0.000 2.558 259 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 259 D C 1.080 177.502 176.300 0.203 0.000 1.143 259 D CA 0.260 54.354 54.000 0.156 0.000 1.010 259 D CB -0.252 40.602 40.800 0.092 0.000 1.068 259 D HN 0.322 nan 8.370 nan 0.000 0.511 260 I N 1.335 121.974 120.570 0.115 0.000 2.142 260 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 260 I C 2.110 178.275 176.117 0.080 0.000 1.078 260 I CA 0.915 62.259 61.300 0.075 0.000 1.343 260 I CB -0.118 37.889 38.000 0.012 0.000 1.046 260 I HN 0.314 nan 8.210 nan 0.000 0.405 261 E N 1.046 121.277 120.200 0.052 0.000 2.153 261 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 261 E C 2.310 178.930 176.600 0.034 0.000 0.988 261 E CA 1.200 57.622 56.400 0.036 0.000 0.811 261 E CB -0.348 29.366 29.700 0.023 0.000 0.746 261 E HN 0.645 nan 8.360 nan 0.000 0.466 262 G N 1.140 109.956 108.800 0.026 0.000 2.421 262 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 262 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 262 G C 1.350 176.220 174.900 -0.050 0.000 1.171 262 G CA 0.718 45.800 45.100 -0.030 0.000 0.775 262 G HN 0.279 nan 8.290 nan 0.000 0.543 263 H N 0.758 119.833 119.070 0.008 0.000 2.326 263 H HA -0.005 4.551 4.556 0.000 0.000 0.301 263 H C 3.033 178.364 175.328 0.005 0.000 1.081 263 H CA 1.277 57.328 56.048 0.006 0.000 1.334 263 H CB -0.380 29.368 29.762 -0.023 0.000 1.385 263 H HN 0.375 nan 8.280 nan 0.000 0.504 264 A N 1.165 124.059 122.820 0.123 0.000 1.917 264 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 264 A C 2.419 180.031 177.584 0.047 0.000 1.182 264 A CA 2.138 54.213 52.037 0.065 0.000 0.633 264 A CB -0.786 18.238 19.000 0.040 0.000 0.819 264 A HN 0.540 nan 8.150 nan 0.000 0.448 265 Q N -0.477 119.344 119.800 0.034 0.000 2.084 265 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 265 Q C 1.984 177.996 176.000 0.021 0.000 0.978 265 Q CA 1.578 57.393 55.803 0.019 0.000 0.844 265 Q CB -0.246 28.496 28.738 0.007 0.000 0.898 265 Q HN 0.671 nan 8.270 nan 0.000 0.426 266 L N 0.233 121.470 121.223 0.024 0.000 2.056 266 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 266 L C 2.638 179.540 176.870 0.054 0.000 1.078 266 L CA 0.897 55.756 54.840 0.031 0.000 0.749 266 L CB -0.600 41.478 42.059 0.032 0.000 0.901 266 L HN 0.337 nan 8.230 nan 0.000 0.433 267 A N 0.089 122.950 122.820 0.069 0.000 1.883 267 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 267 A C 2.490 180.105 177.584 0.052 0.000 1.186 267 A CA 1.888 53.968 52.037 0.072 0.000 0.624 267 A CB -0.728 18.314 19.000 0.071 0.000 0.822 267 A HN 0.408 nan 8.150 nan 0.000 0.444 268 A N -0.533 122.311 122.820 0.040 0.000 1.969 268 A HA 0.265 4.585 4.320 -0.000 0.000 0.218 268 A C 2.415 180.015 177.584 0.025 0.000 1.169 268 A CA 1.808 53.863 52.037 0.030 0.000 0.635 268 A CB -0.774 18.239 19.000 0.023 0.000 0.810 268 A HN 1.008 nan 8.150 nan 0.000 0.445 269 A N -0.847 121.987 122.820 0.024 0.000 1.970 269 A HA 0.367 4.687 4.320 -0.000 0.000 0.216 269 A C 1.009 178.605 177.584 0.021 0.000 1.170 269 A CA 0.442 52.489 52.037 0.016 0.000 0.645 269 A CB -0.243 18.762 19.000 0.008 0.000 0.816 269 A HN 0.420 nan 8.150 nan 0.000 0.447 270 L N -0.924 120.319 121.223 0.033 0.000 2.334 270 L HA 0.361 4.701 4.340 -0.000 0.000 0.270 270 L C 0.286 177.186 176.870 0.050 0.000 1.018 270 L CA -0.809 54.055 54.840 0.040 0.000 0.811 270 L CB 1.218 43.309 42.059 0.053 0.000 1.271 270 L HN 0.040 nan 8.230 nan 0.000 0.443 271 D N -0.467 119.962 120.400 0.048 0.000 2.240 271 D HA -0.014 4.626 4.640 -0.000 0.000 0.206 271 D C 0.426 176.773 176.300 0.078 0.000 0.963 271 D CA 0.746 54.778 54.000 0.054 0.000 0.863 271 D CB 0.241 41.065 40.800 0.041 0.000 0.973 271 D HN 0.464 nan 8.370 nan 0.000 0.501 272 T N 2.981 117.585 114.554 0.084 0.000 2.902 272 T HA 0.163 4.513 4.350 -0.000 0.000 0.301 272 T C -2.352 172.438 174.700 0.150 0.000 1.012 272 T CA -0.925 61.241 62.100 0.111 0.000 1.151 272 T CB 1.223 70.153 68.868 0.103 0.000 0.946 272 T HN -0.074 nan 8.240 nan 0.000 0.542 273 P HA 0.218 nan 4.420 nan 0.000 0.269 273 P C -0.583 176.876 177.300 0.264 0.000 1.215 273 P CA -0.380 62.893 63.100 0.290 0.000 0.780 273 P CB 0.443 32.465 31.700 0.537 0.000 0.898 274 I N 1.403 122.108 120.570 0.224 0.000 2.433 274 I HA 0.570 4.740 4.170 -0.000 0.000 0.292 274 I C 0.115 176.284 176.117 0.087 0.000 1.001 274 I CA -0.978 60.420 61.300 0.163 0.000 1.119 274 I CB 1.116 39.210 38.000 0.157 0.000 1.289 274 I HN 0.320 nan 8.210 nan 0.000 0.438 275 A N 4.262 127.040 122.820 -0.069 0.000 2.365 275 A HA 0.904 5.224 4.320 -0.000 0.000 0.318 275 A C -0.299 177.141 177.584 -0.240 0.000 1.091 275 A CA -0.498 51.366 52.037 -0.288 0.000 0.763 275 A CB 2.026 20.451 19.000 -0.958 0.000 1.248 275 A HN 0.714 nan 8.150 nan 0.000 0.442 276 T N -0.765 113.630 114.554 -0.265 0.000 2.733 276 T HA 0.579 4.929 4.350 -0.000 0.000 0.312 276 T C 0.379 174.920 174.700 -0.265 0.000 1.590 276 T CA 0.709 62.635 62.100 -0.290 0.000 1.005 276 T CB 0.895 69.465 68.868 -0.497 0.000 1.528 276 T HN 2.445 nan 8.240 nan 0.000 0.496 277 G N 1.335 109.964 108.800 -0.285 0.000 2.421 277 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.188 277 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.188 277 G C 0.819 175.621 174.900 -0.163 0.000 1.001 277 G CA 1.161 46.104 45.100 -0.261 0.000 0.693 277 G HN 1.012 nan 8.290 nan 0.000 0.479 278 E N 0.323 120.428 120.200 -0.158 0.000 2.160 278 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 278 E C 2.082 178.562 176.600 -0.200 0.000 0.991 278 E CA 1.574 57.854 56.400 -0.201 0.000 0.810 278 E CB -0.233 29.174 29.700 -0.488 0.000 0.742 278 E HN 0.435 nan 8.360 nan 0.000 0.466 279 M N 0.915 120.388 119.600 -0.211 0.000 2.558 279 M HA 0.196 4.676 4.480 -0.000 0.000 0.255 279 M C 0.864 177.075 176.300 -0.148 0.000 1.113 279 M CA 0.345 55.553 55.300 -0.153 0.000 1.097 279 M CB -0.521 32.002 32.600 -0.127 0.000 1.426 279 M HN 0.096 nan 8.290 nan 0.000 0.488 280 L N 1.171 122.232 121.223 -0.270 0.000 2.461 280 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 280 L C 1.153 177.984 176.870 -0.064 0.000 1.197 280 L CA 0.134 54.792 54.840 -0.303 0.000 0.836 280 L CB 0.079 41.677 42.059 -0.768 0.000 1.105 280 L HN 0.272 nan 8.230 nan 0.000 0.477 281 T N -2.322 112.232 114.554 -0.000 0.000 3.380 281 T HA 0.380 4.730 4.350 -0.000 0.000 0.289 281 T C -0.074 174.684 174.700 0.097 0.000 1.012 281 T CA -0.060 62.080 62.100 0.066 0.000 0.944 281 T CB -0.047 68.852 68.868 0.051 0.000 1.172 281 T HN 0.726 nan 8.240 nan 0.000 0.502 282 S N -0.473 115.299 115.700 0.121 0.000 2.633 282 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 282 S C 0.010 174.716 174.600 0.177 0.000 1.112 282 S CA -0.847 57.441 58.200 0.147 0.000 0.828 282 S CB 0.174 63.438 63.200 0.107 0.000 1.086 282 S HN 0.092 nan 8.310 nan 0.000 0.461 283 F N 2.078 122.059 119.950 0.052 0.000 2.102 283 F HA 0.090 4.617 4.527 0.000 0.000 0.298 283 F C 2.438 178.253 175.800 0.026 0.000 1.105 283 F CA 1.757 59.770 58.000 0.022 0.000 1.239 283 F CB -0.262 38.722 39.000 -0.025 0.000 0.991 283 F HN 0.691 nan 8.300 nan 0.000 0.474 284 R N 0.396 120.898 120.500 0.003 0.000 2.105 284 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 284 R C 2.135 178.325 176.300 -0.183 0.000 1.135 284 R CA 1.973 58.007 56.100 -0.110 0.000 0.967 284 R CB -0.612 29.718 30.300 0.050 0.000 0.861 284 R HN 0.482 nan 8.270 nan 0.000 0.442 285 E N -0.580 119.549 120.200 -0.119 0.000 2.051 285 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 285 E C 1.895 178.318 176.600 -0.295 0.000 0.991 285 E CA 1.350 57.657 56.400 -0.156 0.000 0.799 285 E CB -0.137 29.486 29.700 -0.129 0.000 0.748 285 E HN 0.497 nan 8.360 nan 0.000 0.449 286 H N 0.233 119.113 119.070 -0.316 0.000 2.387 286 H HA -0.092 4.464 4.556 0.000 0.000 0.299 286 H C 2.092 177.157 175.328 -0.439 0.000 1.090 286 H CA 1.589 57.415 56.048 -0.369 0.000 1.332 286 H CB 0.121 29.662 29.762 -0.368 0.000 1.386 286 H HN 0.180 nan 8.280 nan 0.000 0.516 287 E N 0.254 120.160 120.200 -0.489 0.000 2.110 287 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 287 E C 1.756 178.177 176.600 -0.298 0.000 0.988 287 E CA 0.918 57.013 56.400 -0.509 0.000 0.804 287 E CB 0.200 29.480 29.700 -0.699 0.000 0.745 287 E HN 0.437 nan 8.360 nan 0.000 0.458 288 Q N 0.065 119.724 119.800 -0.236 0.000 2.119 288 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 288 Q C 2.310 178.212 176.000 -0.163 0.000 0.972 288 Q CA 0.829 56.539 55.803 -0.156 0.000 0.847 288 Q CB -0.173 28.503 28.738 -0.104 0.000 0.903 288 Q HN 0.310 nan 8.270 nan 0.000 0.433 289 L N 0.005 121.101 121.223 -0.212 0.000 2.109 289 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 289 L C 2.219 178.972 176.870 -0.195 0.000 1.086 289 L CA 1.055 55.769 54.840 -0.210 0.000 0.760 289 L CB -0.348 41.539 42.059 -0.287 0.000 0.910 289 L HN 0.140 nan 8.230 nan 0.000 0.437 290 I N -1.167 119.261 120.570 -0.237 0.000 2.202 290 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 290 I C 2.062 177.992 176.117 -0.313 0.000 1.091 290 I CA 1.140 62.264 61.300 -0.294 0.000 1.368 290 I CB -0.232 37.538 38.000 -0.384 0.000 1.058 290 I HN 0.159 nan 8.210 nan 0.000 0.410 291 L N 0.384 121.449 121.223 -0.263 0.000 2.456 291 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 291 L C 2.145 178.972 176.870 -0.071 0.000 1.148 291 L CA 0.899 55.649 54.840 -0.149 0.000 0.825 291 L CB -0.720 41.283 42.059 -0.093 0.000 0.937 291 L HN 0.314 nan 8.230 nan 0.000 0.450 292 G N -1.194 107.555 108.800 -0.085 0.000 3.088 292 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.217 292 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.217 292 G C 0.504 175.386 174.900 -0.029 0.000 1.159 292 G CA -0.237 44.837 45.100 -0.044 0.000 0.760 292 G HN 0.537 nan 8.290 nan 0.000 0.550 293 N N -0.866 117.809 118.700 -0.042 0.000 2.721 293 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 293 N C 1.521 177.023 175.510 -0.013 0.000 1.072 293 N CA 0.076 53.115 53.050 -0.017 0.000 0.710 293 N CB -0.615 37.882 38.487 0.016 0.000 0.993 293 N HN 0.417 nan 8.380 nan 0.000 0.547 294 A N -0.200 122.595 122.820 -0.042 0.000 1.969 294 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 294 A C 1.148 178.725 177.584 -0.011 0.000 1.169 294 A CA 1.777 53.801 52.037 -0.020 0.000 0.635 294 A CB 0.124 19.062 19.000 -0.104 0.000 0.810 294 A HN 0.612 nan 8.150 nan 0.000 0.445 295 S N -2.481 113.189 115.700 -0.050 0.000 2.579 295 S HA 0.443 4.913 4.470 -0.000 0.000 0.272 295 S C -0.477 174.109 174.600 -0.022 0.000 1.141 295 S CA -0.374 57.811 58.200 -0.026 0.000 0.843 295 S CB 1.223 64.373 63.200 -0.084 0.000 1.122 295 S HN 0.159 nan 8.310 nan 0.000 0.468 296 D N -0.031 120.384 120.400 0.024 0.000 2.213 296 D HA 0.157 4.797 4.640 -0.000 0.000 0.205 296 D C -0.470 175.731 176.300 -0.166 0.000 0.961 296 D CA 1.264 55.250 54.000 -0.023 0.000 0.853 296 D CB 0.032 40.883 40.800 0.084 0.000 0.967 296 D HN 0.434 nan 8.370 nan 0.000 0.496 297 F N 0.798 120.664 119.950 -0.140 0.000 2.467 297 F HA 0.285 4.812 4.527 0.000 0.000 0.336 297 F C 0.035 175.667 175.800 -0.279 0.000 1.123 297 F CA -0.890 56.969 58.000 -0.236 0.000 0.964 297 F CB 2.025 40.754 39.000 -0.451 0.000 1.136 297 F HN -0.411 nan 8.300 nan 0.000 0.447 298 V N 3.793 123.640 119.914 -0.111 0.000 2.394 298 V HA 0.305 4.425 4.120 -0.000 0.000 0.282 298 V C -0.384 175.599 176.094 -0.184 0.000 1.031 298 V CA -0.642 61.562 62.300 -0.160 0.000 0.881 298 V CB 1.450 33.152 31.823 -0.201 0.000 0.982 298 V HN 0.685 nan 8.190 nan 0.000 0.451 299 Q N 6.189 125.902 119.800 -0.145 0.000 2.788 299 Q HA 0.297 4.637 4.340 -0.000 0.000 0.285 299 Q C -2.528 173.457 176.000 -0.025 0.000 1.063 299 Q CA -1.634 54.105 55.803 -0.107 0.000 0.958 299 Q CB 1.581 30.251 28.738 -0.113 0.000 1.211 299 Q HN 0.542 nan 8.270 nan 0.000 0.478 300 P HA 0.073 nan 4.420 nan 0.000 0.276 300 P C -0.711 176.651 177.300 0.104 0.000 1.252 300 P CA -0.134 62.818 63.100 -0.246 0.000 0.802 300 P CB 1.198 32.313 31.700 -0.975 0.000 1.035 301 D N 0.241 120.818 120.400 0.294 0.000 2.473 301 D HA 0.313 4.953 4.640 -0.000 0.000 0.253 301 D C 1.016 177.671 176.300 0.592 0.000 1.233 301 D CA -0.667 53.645 54.000 0.520 0.000 0.908 301 D CB 1.696 42.800 40.800 0.506 0.000 1.170 301 D HN 0.256 nan 8.370 nan 0.000 0.558 302 A N 5.490 128.797 122.820 0.811 0.000 1.873 302 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 302 A C -0.727 177.017 177.584 0.267 0.000 1.193 302 A CA 1.443 53.763 52.037 0.471 0.000 0.629 302 A CB -1.236 17.791 19.000 0.046 0.000 0.826 302 A HN 0.489 nan 8.150 nan 0.000 0.447 303 P HA -0.142 nan 4.420 nan 0.000 0.215 303 P C 1.542 178.922 177.300 0.133 0.000 1.153 303 P CA 1.416 64.610 63.100 0.157 0.000 0.853 303 P CB -0.114 31.750 31.700 0.274 0.000 0.788 304 R N -0.452 120.152 120.500 0.172 0.000 2.115 304 R HA -0.036 4.304 4.340 -0.000 0.000 0.226 304 R C 1.756 178.139 176.300 0.137 0.000 1.100 304 R CA 1.381 57.542 56.100 0.102 0.000 0.980 304 R CB -0.701 29.666 30.300 0.110 0.000 0.875 304 R HN 0.202 nan 8.270 nan 0.000 0.445 305 V N -3.428 116.607 119.914 0.201 0.000 3.649 305 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 305 V C 0.914 177.134 176.094 0.210 0.000 1.281 305 V CA 0.718 63.138 62.300 0.200 0.000 1.143 305 V CB 0.328 32.275 31.823 0.206 0.000 0.892 305 V HN 0.407 nan 8.190 nan 0.000 0.441 306 G N -1.716 107.213 108.800 0.215 0.000 2.168 306 G HA2 0.335 4.295 3.960 -0.000 0.000 0.197 306 G HA3 0.335 4.295 3.960 -0.000 0.000 0.197 306 G C 0.943 176.046 174.900 0.337 0.000 0.997 306 G CA -0.047 45.226 45.100 0.290 0.000 0.658 306 G HN 2.242 nan 8.290 nan 0.000 0.513 307 G N -1.127 107.822 108.800 0.248 0.000 2.409 307 G HA2 0.123 4.083 3.960 -0.000 0.000 0.421 307 G HA3 0.123 4.083 3.960 -0.000 0.000 0.421 307 G C 0.735 175.733 174.900 0.163 0.000 1.259 307 G CA -0.061 45.163 45.100 0.207 0.000 1.011 307 G HN 0.854 nan 8.290 nan 0.000 0.497 308 I N 0.798 121.397 120.570 0.049 0.000 2.252 308 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 308 I C 2.960 179.022 176.117 -0.091 0.000 1.102 308 I CA 1.972 63.165 61.300 -0.177 0.000 1.385 308 I CB -0.454 37.170 38.000 -0.628 0.000 1.064 308 I HN 0.519 nan 8.210 nan 0.000 0.414 309 S N 1.401 117.169 115.700 0.114 0.000 2.359 309 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 309 S C -0.311 174.305 174.600 0.026 0.000 1.038 309 S CA 1.874 60.167 58.200 0.156 0.000 1.051 309 S CB -1.559 61.762 63.200 0.201 0.000 0.944 309 S HN 0.396 nan 8.310 nan 0.000 0.433 310 P HA -0.049 nan 4.420 nan 0.000 0.219 310 P C 1.343 178.706 177.300 0.105 0.000 1.150 310 P CA 0.869 63.977 63.100 0.013 0.000 0.814 310 P CB -0.152 31.576 31.700 0.047 0.000 0.787 311 F N 0.920 120.863 119.950 -0.013 0.000 2.171 311 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 311 F C 2.212 177.986 175.800 -0.044 0.000 1.090 311 F CA 1.178 59.158 58.000 -0.033 0.000 1.293 311 F CB -0.580 38.404 39.000 -0.026 0.000 1.013 311 F HN -0.288 nan 8.300 nan 0.000 0.486 312 L N 0.058 121.408 121.223 0.212 0.000 2.093 312 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 312 L C 2.330 179.236 176.870 0.060 0.000 1.085 312 L CA 1.375 56.287 54.840 0.120 0.000 0.755 312 L CB -0.598 41.464 42.059 0.005 0.000 0.904 312 L HN 0.060 nan 8.230 nan 0.000 0.435 313 K N 0.087 120.496 120.400 0.016 0.000 2.155 313 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 313 K C 2.044 178.748 176.600 0.172 0.000 1.052 313 K CA 1.055 57.332 56.287 -0.016 0.000 0.948 313 K CB -0.042 32.267 32.500 -0.319 0.000 0.728 313 K HN 0.293 nan 8.250 nan 0.000 0.448 314 I N 0.854 121.501 120.570 0.128 0.000 2.315 314 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 314 I C 2.425 178.479 176.117 -0.106 0.000 1.117 314 I CA 1.145 62.429 61.300 -0.026 0.000 1.404 314 I CB -0.161 37.599 38.000 -0.400 0.000 1.071 314 I HN 0.163 nan 8.210 nan 0.000 0.419 315 M N 0.251 119.792 119.600 -0.098 0.000 2.086 315 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 315 M C 1.820 178.239 176.300 0.198 0.000 1.067 315 M CA 1.777 57.126 55.300 0.082 0.000 1.116 315 M CB -0.431 32.300 32.600 0.220 0.000 1.348 315 M HN 0.193 nan 8.290 nan 0.000 0.407 316 D N 0.337 120.813 120.400 0.127 0.000 2.144 316 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 316 D C 1.865 178.237 176.300 0.120 0.000 0.984 316 D CA 1.124 55.185 54.000 0.101 0.000 0.834 316 D CB -0.323 40.520 40.800 0.071 0.000 0.955 316 D HN 0.227 nan 8.370 nan 0.000 0.465 317 L N 1.154 122.465 121.223 0.146 0.000 2.027 317 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 317 L C 2.196 179.154 176.870 0.146 0.000 1.074 317 L CA 1.719 56.656 54.840 0.161 0.000 0.745 317 L CB -0.862 41.284 42.059 0.144 0.000 0.898 317 L HN -0.047 nan 8.230 nan 0.000 0.433 318 A N -0.337 122.528 122.820 0.076 0.000 1.883 318 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 318 A C 2.462 180.151 177.584 0.175 0.000 1.186 318 A CA 2.045 54.127 52.037 0.074 0.000 0.624 318 A CB -1.275 17.726 19.000 0.002 0.000 0.822 318 A HN 0.590 nan 8.150 nan 0.000 0.444 319 A N -0.335 122.604 122.820 0.198 0.000 1.908 319 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 319 A C 2.147 179.744 177.584 0.022 0.000 1.181 319 A CA 2.011 54.075 52.037 0.045 0.000 0.627 319 A CB -0.495 18.419 19.000 -0.144 0.000 0.818 319 A HN 0.539 nan 8.150 nan 0.000 0.445 320 K N -1.153 119.290 120.400 0.070 0.000 2.211 320 K HA -0.206 4.114 4.320 -0.000 0.000 0.204 320 K C 0.800 177.364 176.600 -0.060 0.000 1.047 320 K CA 1.625 57.924 56.287 0.021 0.000 0.935 320 K CB -0.182 32.362 32.500 0.073 0.000 0.728 320 K HN 0.655 nan 8.250 nan 0.000 0.452 321 H N -1.256 117.805 119.070 -0.015 0.000 2.519 321 H HA 0.214 4.770 4.556 0.000 0.000 0.289 321 H C 0.617 175.927 175.328 -0.031 0.000 1.040 321 H CA 0.505 56.539 56.048 -0.022 0.000 1.165 321 H CB 0.761 30.508 29.762 -0.025 0.000 1.462 321 H HN 0.444 nan 8.280 nan 0.000 0.555 322 G N 1.348 110.170 108.800 0.036 0.000 2.225 322 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 322 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 322 G C 0.076 174.971 174.900 -0.007 0.000 1.024 322 G CA -0.126 44.972 45.100 -0.004 0.000 0.784 322 G HN 0.183 nan 8.290 nan 0.000 0.507 323 R N -0.202 120.312 120.500 0.023 0.000 2.457 323 R HA 0.517 4.857 4.340 -0.000 0.000 0.284 323 R C 0.616 176.889 176.300 -0.046 0.000 1.024 323 R CA -0.691 55.377 56.100 -0.054 0.000 1.025 323 R CB 0.751 31.017 30.300 -0.055 0.000 1.063 323 R HN 0.115 nan 8.270 nan 0.000 0.493 324 K N 1.186 121.410 120.400 -0.293 0.000 2.107 324 K HA 0.321 4.641 4.320 -0.000 0.000 0.251 324 K C -0.044 176.410 176.600 -0.243 0.000 1.012 324 K CA -0.859 55.254 56.287 -0.290 0.000 0.920 324 K CB 0.705 32.658 32.500 -0.911 0.000 1.033 324 K HN 0.276 nan 8.250 nan 0.000 0.478 325 L N 0.272 121.371 121.223 -0.207 0.000 2.346 325 L HA 0.516 4.856 4.340 -0.000 0.000 0.276 325 L C -1.139 175.765 176.870 0.056 0.000 1.006 325 L CA -0.082 54.555 54.840 -0.339 0.000 0.817 325 L CB 1.754 43.207 42.059 -1.011 0.000 1.272 325 L HN 0.690 nan 8.230 nan 0.000 0.421 326 A N 5.541 128.381 122.820 0.034 0.000 3.007 326 A HA 0.654 4.974 4.320 -0.000 0.000 0.314 326 A C -2.738 174.882 177.584 0.060 0.000 1.153 326 A CA -1.088 51.032 52.037 0.138 0.000 0.780 326 A CB -0.017 18.931 19.000 -0.086 0.000 1.258 326 A HN 0.511 nan 8.150 nan 0.000 0.460 327 P HA 0.003 nan 4.420 nan 0.000 0.268 327 P C -0.350 176.970 177.300 0.035 0.000 1.208 327 P CA 0.425 63.469 63.100 -0.093 0.000 0.777 327 P CB 0.291 31.788 31.700 -0.337 0.000 0.875 328 H N 4.405 123.459 119.070 -0.027 0.000 2.467 328 H HA 0.279 4.835 4.556 -0.000 0.000 0.326 328 H C 0.431 176.007 175.328 0.413 0.000 1.094 328 H CA -0.438 55.738 56.048 0.213 0.000 1.253 328 H CB 0.132 30.020 29.762 0.211 0.000 1.439 328 H HN 0.334 nan 8.280 nan 0.000 0.479 329 F N 2.656 122.349 119.950 -0.429 0.000 2.181 329 F HA -0.385 4.142 4.527 0.000 0.000 0.317 329 F C 0.846 176.662 175.800 0.027 0.000 0.129 329 F CA 2.011 59.772 58.000 -0.399 0.000 0.911 329 F CB -1.206 37.344 39.000 -0.751 0.000 4.128 329 F HN 0.903 nan 8.300 nan 0.000 0.142 330 A N 0.872 123.324 122.820 -0.614 0.000 2.189 330 A HA -0.229 4.091 4.320 -0.000 0.000 0.272 330 A C 1.384 178.820 177.584 -0.247 0.000 1.349 330 A CA 1.773 53.564 52.037 -0.410 0.000 0.778 330 A CB -1.847 17.026 19.000 -0.211 0.000 1.088 330 A HN 1.398 nan 8.150 nan 0.000 0.351 331 M N -1.892 117.595 119.600 -0.189 0.000 2.346 331 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 331 M C 1.269 177.543 176.300 -0.043 0.000 1.064 331 M CA 2.254 57.524 55.300 -0.050 0.000 1.083 331 M CB -0.555 32.023 32.600 -0.036 0.000 1.399 331 M HN 0.385 nan 8.290 nan 0.000 0.435 332 E N 1.217 121.357 120.200 -0.100 0.000 2.160 332 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 332 E C 2.074 178.721 176.600 0.080 0.000 0.991 332 E CA 1.393 57.763 56.400 -0.049 0.000 0.810 332 E CB -0.323 29.083 29.700 -0.489 0.000 0.742 332 E HN 0.497 nan 8.360 nan 0.000 0.466 333 V N -0.207 119.629 119.914 -0.129 0.000 2.690 333 V HA -0.072 4.048 4.120 -0.000 0.000 0.240 333 V C 1.655 177.634 176.094 -0.191 0.000 1.078 333 V CA 0.799 62.983 62.300 -0.193 0.000 1.102 333 V CB -0.346 31.183 31.823 -0.489 0.000 0.800 333 V HN 0.287 nan 8.190 nan 0.000 0.479 334 H N 0.052 119.050 119.070 -0.119 0.000 2.489 334 H HA -0.059 4.497 4.556 -0.000 0.000 0.293 334 H C 2.086 177.362 175.328 -0.086 0.000 1.066 334 H CA 1.335 57.294 56.048 -0.148 0.000 1.305 334 H CB -0.147 29.576 29.762 -0.065 0.000 1.386 334 H HN 0.304 nan 8.280 nan 0.000 0.551 335 L N 0.789 122.018 121.223 0.009 0.000 2.012 335 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 335 L C 2.281 179.065 176.870 -0.144 0.000 1.073 335 L CA 1.813 56.600 54.840 -0.089 0.000 0.748 335 L CB -0.632 41.316 42.059 -0.184 0.000 0.891 335 L HN 0.249 nan 8.230 nan 0.000 0.431 336 H N -0.605 118.454 119.070 -0.019 0.000 2.389 336 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 336 H C 2.331 177.629 175.328 -0.050 0.000 1.081 336 H CA 1.971 57.997 56.048 -0.038 0.000 1.345 336 H CB -0.147 29.579 29.762 -0.061 0.000 1.393 336 H HN 0.379 nan 8.280 nan 0.000 0.520 337 L N 0.715 121.948 121.223 0.016 0.000 2.072 337 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 337 L C 2.801 179.736 176.870 0.108 0.000 1.079 337 L CA 1.327 56.147 54.840 -0.033 0.000 0.752 337 L CB -0.414 41.430 42.059 -0.359 0.000 0.906 337 L HN 0.273 nan 8.230 nan 0.000 0.436 338 S N 0.182 115.942 115.700 0.101 0.000 2.402 338 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 338 S C 2.154 176.837 174.600 0.138 0.000 1.021 338 S CA 0.752 59.035 58.200 0.139 0.000 0.974 338 S CB -0.453 62.811 63.200 0.107 0.000 0.800 338 S HN 0.331 nan 8.310 nan 0.000 0.484 339 A N 1.772 124.637 122.820 0.076 0.000 1.972 339 A HA 0.344 4.664 4.320 -0.000 0.000 0.219 339 A C 2.321 179.985 177.584 0.133 0.000 1.169 339 A CA 1.490 53.562 52.037 0.059 0.000 0.635 339 A CB -1.130 17.873 19.000 0.004 0.000 0.810 339 A HN 0.901 nan 8.150 nan 0.000 0.446 340 A N -2.382 120.536 122.820 0.163 0.000 2.251 340 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 340 A C 0.605 178.378 177.584 0.314 0.000 1.187 340 A CA -0.166 52.002 52.037 0.217 0.000 0.823 340 A CB -0.388 18.695 19.000 0.138 0.000 0.846 340 A HN 0.455 nan 8.150 nan 0.000 0.486 341 Y N 1.448 121.818 120.300 0.117 0.000 2.377 341 Y HA 0.262 4.812 4.550 0.000 0.000 0.330 341 Y C -1.282 174.536 175.900 -0.137 0.000 1.108 341 Y CA -2.125 55.993 58.100 0.031 0.000 1.308 341 Y CB 1.062 39.545 38.460 0.037 0.000 1.216 341 Y HN 0.102 nan 8.280 nan 0.000 0.518 342 P HA -0.137 nan 4.420 nan 0.000 0.218 342 P C -0.280 176.678 177.300 -0.569 0.000 1.149 342 P CA 1.373 63.900 63.100 -0.955 0.000 0.817 342 P CB 0.568 31.801 31.700 -0.778 0.000 0.785 343 L N -0.155 120.784 121.223 -0.473 0.000 2.343 343 L HA 0.349 4.689 4.340 -0.000 0.000 0.275 343 L C 0.725 177.654 176.870 0.098 0.000 1.056 343 L CA -1.195 53.578 54.840 -0.113 0.000 0.804 343 L CB 0.593 42.645 42.059 -0.013 0.000 1.203 343 L HN -0.217 nan 8.230 nan 0.000 0.440 344 E N 4.387 124.618 120.200 0.051 0.000 2.491 344 E HA 0.051 4.401 4.350 -0.000 0.000 0.250 344 E C -2.267 174.412 176.600 0.132 0.000 1.061 344 E CA -0.774 55.655 56.400 0.048 0.000 0.942 344 E CB 0.303 30.001 29.700 -0.003 0.000 0.957 344 E HN 0.173 nan 8.360 nan 0.000 0.480 345 P HA 0.363 nan 4.420 nan 0.000 0.289 345 P C -1.124 176.251 177.300 0.125 0.000 1.300 345 P CA -0.791 62.432 63.100 0.205 0.000 0.828 345 P CB 0.738 32.538 31.700 0.166 0.000 1.235 346 W N -0.225 121.242 121.300 0.278 0.000 2.702 346 W HA 0.527 5.187 4.660 0.000 0.000 0.331 346 W C -0.761 175.933 176.519 0.293 0.000 1.049 346 W CA -0.511 57.032 57.345 0.331 0.000 1.230 346 W CB 1.806 31.586 29.460 0.533 0.000 1.408 346 W HN 0.125 nan 8.180 nan 0.000 0.492 347 L N 2.926 124.418 121.223 0.449 0.000 2.329 347 L HA 0.453 4.793 4.340 -0.000 0.000 0.279 347 L C -0.137 176.783 176.870 0.084 0.000 1.014 347 L CA -0.668 54.317 54.840 0.243 0.000 0.814 347 L CB 1.480 43.608 42.059 0.113 0.000 1.257 347 L HN 0.460 nan 8.230 nan 0.000 0.424 348 E N 3.954 124.114 120.200 -0.067 0.000 2.174 348 E HA 0.167 4.517 4.350 -0.000 0.000 0.282 348 E C -1.282 175.179 176.600 -0.232 0.000 0.992 348 E CA -0.555 55.543 56.400 -0.504 0.000 0.803 348 E CB 0.573 30.159 29.700 -0.190 0.000 1.090 348 E HN 0.665 nan 8.360 nan 0.000 0.396 349 H N 5.201 124.005 119.070 -0.443 0.000 2.459 349 H HA 0.353 4.909 4.556 -0.000 0.000 0.332 349 H C -1.627 173.479 175.328 -0.371 0.000 1.094 349 H CA -0.334 55.563 56.048 -0.252 0.000 1.224 349 H CB 0.435 30.087 29.762 -0.183 0.000 1.449 349 H HN 0.476 nan 8.280 nan 0.000 0.484 350 F N 2.120 121.484 119.950 -0.978 0.000 2.599 350 F HA 0.141 4.668 4.527 -0.000 0.000 0.311 350 F C 1.214 176.485 175.800 -0.881 0.000 1.076 350 F CA -0.659 56.835 58.000 -0.843 0.000 0.937 350 F CB 2.028 40.559 39.000 -0.782 0.000 1.282 350 F HN 0.600 nan 8.300 nan 0.000 0.460 351 E N 0.545 120.621 120.200 -0.205 0.000 2.431 351 E HA -0.040 4.310 4.350 -0.000 0.000 0.200 351 E C 1.172 177.916 176.600 0.240 0.000 0.995 351 E CA 0.319 56.745 56.400 0.045 0.000 0.915 351 E CB -0.152 29.681 29.700 0.222 0.000 0.930 351 E HN 0.661 nan 8.360 nan 0.000 0.496 352 W N 1.591 122.955 121.300 0.107 0.000 2.275 352 W HA -0.191 4.469 4.660 0.000 0.000 0.321 352 W C 1.886 178.402 176.519 -0.005 0.000 1.269 352 W CA 0.910 58.300 57.345 0.075 0.000 1.274 352 W CB -1.131 28.401 29.460 0.119 0.000 1.141 352 W HN 0.142 nan 8.180 nan 0.000 0.493 353 L N 0.604 121.912 121.223 0.141 0.000 2.558 353 L HA -0.015 4.325 4.340 -0.000 0.000 0.225 353 L C 1.899 178.740 176.870 -0.047 0.000 1.128 353 L CA 0.765 55.582 54.840 -0.038 0.000 0.868 353 L CB -1.134 40.830 42.059 -0.157 0.000 1.006 353 L HN -0.064 nan 8.230 nan 0.000 0.454 354 N N 0.815 119.552 118.700 0.061 0.000 2.091 354 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 354 N C -0.840 174.703 175.510 0.055 0.000 1.021 354 N CA 1.846 54.959 53.050 0.105 0.000 0.862 354 N CB -1.411 37.160 38.487 0.140 0.000 1.018 354 N HN 0.317 nan 8.380 nan 0.000 0.429 355 P HA -0.025 nan 4.420 nan 0.000 0.234 355 P C 1.358 178.546 177.300 -0.188 0.000 1.167 355 P CA 0.653 63.736 63.100 -0.029 0.000 0.763 355 P CB 0.004 31.744 31.700 0.065 0.000 0.835 356 L N -2.016 118.980 121.223 -0.377 0.000 2.313 356 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 356 L C 0.781 177.166 176.870 -0.807 0.000 1.119 356 L CA 0.787 55.192 54.840 -0.725 0.000 0.809 356 L CB -0.331 40.977 42.059 -1.252 0.000 0.933 356 L HN -0.125 nan 8.230 nan 0.000 0.449 357 F N -1.699 118.231 119.950 -0.034 0.000 2.561 357 F HA 0.294 4.821 4.527 0.000 0.000 0.321 357 F C 1.109 176.970 175.800 0.102 0.000 1.065 357 F CA -1.041 56.995 58.000 0.059 0.000 0.934 357 F CB 0.756 39.821 39.000 0.108 0.000 1.215 357 F HN -0.257 nan 8.300 nan 0.000 0.471 358 N N -0.287 118.607 118.700 0.323 0.000 2.300 358 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 358 N C -0.499 175.141 175.510 0.216 0.000 1.016 358 N CA 0.626 53.795 53.050 0.198 0.000 0.876 358 N CB 0.086 38.660 38.487 0.145 0.000 0.979 358 N HN 0.555 nan 8.380 nan 0.000 0.432 359 E N 0.599 120.987 120.200 0.313 0.000 2.248 359 E HA 0.286 4.636 4.350 -0.000 0.000 0.272 359 E C -0.524 176.306 176.600 0.383 0.000 1.008 359 E CA -0.367 56.175 56.400 0.237 0.000 0.856 359 E CB 0.946 30.677 29.700 0.052 0.000 1.120 359 E HN -0.026 nan 8.360 nan 0.000 0.397 360 Q N 1.071 121.023 119.800 0.254 0.000 2.375 360 Q HA 0.431 4.771 4.340 -0.000 0.000 0.271 360 Q C -0.549 175.580 176.000 0.215 0.000 1.074 360 Q CA -0.652 55.327 55.803 0.292 0.000 0.808 360 Q CB 2.030 30.889 28.738 0.203 0.000 1.327 360 Q HN 0.497 nan 8.270 nan 0.000 0.441 361 L N 1.047 122.430 121.223 0.266 0.000 2.439 361 L HA 0.195 4.535 4.340 -0.000 0.000 0.269 361 L C 0.827 177.791 176.870 0.156 0.000 1.179 361 L CA -0.101 54.852 54.840 0.189 0.000 0.828 361 L CB 0.390 42.586 42.059 0.227 0.000 1.106 361 L HN 0.572 nan 8.230 nan 0.000 0.467 362 E N 2.910 123.195 120.200 0.141 0.000 2.194 362 E HA 0.249 4.599 4.350 -0.000 0.000 0.284 362 E C -1.320 175.400 176.600 0.200 0.000 1.035 362 E CA -0.808 55.672 56.400 0.133 0.000 0.836 362 E CB 1.251 31.001 29.700 0.084 0.000 1.070 362 E HN 0.287 nan 8.360 nan 0.000 0.401 363 L N 6.092 127.406 121.223 0.152 0.000 2.298 363 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 363 L C -1.035 175.922 176.870 0.145 0.000 1.013 363 L CA -0.219 54.715 54.840 0.158 0.000 0.824 363 L CB 1.019 43.125 42.059 0.078 0.000 1.221 363 L HN 0.599 nan 8.230 nan 0.000 0.418 364 R N 3.835 124.473 120.500 0.231 0.000 2.535 364 R HA 0.349 4.689 4.340 -0.000 0.000 0.274 364 R C -1.156 175.292 176.300 0.246 0.000 1.090 364 R CA -0.375 55.831 56.100 0.176 0.000 0.930 364 R CB 1.193 31.525 30.300 0.053 0.000 1.223 364 R HN 0.695 nan 8.270 nan 0.000 0.441 365 D N 3.201 123.695 120.400 0.157 0.000 2.723 365 D HA -0.161 4.479 4.640 -0.000 0.000 0.236 365 D C 0.710 177.084 176.300 0.122 0.000 1.138 365 D CA 2.079 56.166 54.000 0.146 0.000 0.676 365 D CB -1.128 39.775 40.800 0.172 0.000 1.069 365 D HN 1.084 nan 8.370 nan 0.000 0.430 366 G N -0.567 108.300 108.800 0.112 0.000 2.168 366 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.263 366 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.263 366 G C 0.328 175.232 174.900 0.007 0.000 0.977 366 G CA 0.790 45.930 45.100 0.068 0.000 0.659 366 G HN 0.605 nan 8.290 nan 0.000 0.533 367 R N -1.497 119.029 120.500 0.043 0.000 2.795 367 R HA 0.729 5.069 4.340 -0.000 0.000 0.275 367 R C -0.749 175.557 176.300 0.010 0.000 0.981 367 R CA -1.188 54.871 56.100 -0.068 0.000 0.917 367 R CB 1.328 31.486 30.300 -0.236 0.000 1.202 367 R HN 0.128 nan 8.270 nan 0.000 0.469 368 M N 1.810 121.360 119.600 -0.085 0.000 2.129 368 M HA 0.319 4.799 4.480 -0.000 0.000 0.348 368 M C -1.707 174.538 176.300 -0.092 0.000 1.116 368 M CA -0.622 54.693 55.300 0.024 0.000 1.022 368 M CB 0.732 33.348 32.600 0.028 0.000 1.599 368 M HN 0.427 nan 8.290 nan 0.000 0.449 369 W N 5.697 126.987 121.300 -0.017 0.000 2.365 369 W HA 0.514 5.174 4.660 -0.000 0.000 0.316 369 W C -0.386 176.103 176.519 -0.049 0.000 1.164 369 W CA -0.360 56.967 57.345 -0.029 0.000 1.204 369 W CB 0.397 29.846 29.460 -0.019 0.000 1.213 369 W HN 0.469 nan 8.180 nan 0.000 0.539 370 I N 3.814 124.449 120.570 0.108 0.000 2.452 370 I HA 0.030 4.200 4.170 -0.000 0.000 0.287 370 I C 1.041 177.214 176.117 0.095 0.000 1.079 370 I CA -0.160 61.152 61.300 0.021 0.000 1.387 370 I CB 0.259 38.244 38.000 -0.025 0.000 1.404 370 I HN 0.438 nan 8.210 nan 0.000 0.522 371 S N 4.215 119.941 115.700 0.043 0.000 2.655 371 S HA 0.069 4.539 4.470 -0.000 0.000 0.265 371 S C 0.937 175.570 174.600 0.056 0.000 1.240 371 S CA -0.549 57.674 58.200 0.038 0.000 0.986 371 S CB 1.130 64.312 63.200 -0.029 0.000 0.985 371 S HN 0.747 nan 8.310 nan 0.000 0.562 372 D N -0.328 120.101 120.400 0.048 0.000 2.363 372 D HA -0.064 4.576 4.640 -0.000 0.000 0.220 372 D C 0.313 176.673 176.300 0.100 0.000 0.994 372 D CA 0.008 54.056 54.000 0.079 0.000 0.890 372 D CB -0.295 40.541 40.800 0.060 0.000 0.906 372 D HN 0.452 nan 8.370 nan 0.000 0.530 373 R N 0.599 121.116 120.500 0.030 0.000 2.623 373 R HA 0.143 4.483 4.340 -0.000 0.000 0.271 373 R C 0.358 176.736 176.300 0.130 0.000 1.043 373 R CA 0.061 56.153 56.100 -0.012 0.000 1.083 373 R CB 0.351 30.591 30.300 -0.099 0.000 0.974 373 R HN 0.374 nan 8.270 nan 0.000 0.436 374 H N 0.065 119.132 119.070 -0.006 0.000 2.603 374 H HA 0.182 4.738 4.556 -0.000 0.000 0.370 374 H C 1.344 176.656 175.328 -0.027 0.000 1.225 374 H CA -0.167 55.880 56.048 -0.001 0.000 1.410 374 H CB 0.747 30.523 29.762 0.023 0.000 1.495 374 H HN 0.825 nan 8.280 nan 0.000 0.602 375 G N 0.228 109.076 108.800 0.079 0.000 2.582 375 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.288 375 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.288 375 G C 0.928 175.726 174.900 -0.170 0.000 1.247 375 G CA 0.468 45.554 45.100 -0.023 0.000 0.972 375 G HN 0.569 nan 8.290 nan 0.000 0.557 376 L N 1.599 122.753 121.223 -0.116 0.000 2.275 376 L HA 0.238 4.578 4.340 -0.000 0.000 0.215 376 L C 2.468 179.353 176.870 0.026 0.000 1.119 376 L CA 1.369 56.164 54.840 -0.074 0.000 0.790 376 L CB -0.727 41.402 42.059 0.117 0.000 0.919 376 L HN 2.117 nan 8.230 nan 0.000 0.443 377 G N -0.476 108.279 108.800 -0.075 0.000 2.149 377 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 377 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 377 G C -0.240 174.314 174.900 -0.577 0.000 1.018 377 G CA -0.356 44.583 45.100 -0.269 0.000 0.728 377 G HN 0.172 nan 8.290 nan 0.000 0.508 378 F N 0.129 120.049 119.950 -0.049 0.000 2.578 378 F HA 0.716 5.243 4.527 0.000 0.000 0.311 378 F C 0.424 176.253 175.800 0.049 0.000 1.094 378 F CA -0.163 57.779 58.000 -0.096 0.000 0.923 378 F CB 2.375 41.048 39.000 -0.545 0.000 1.230 378 F HN 0.289 nan 8.300 nan 0.000 0.450 379 T N 0.455 115.223 114.554 0.356 0.000 2.863 379 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 379 T C -0.662 174.264 174.700 0.377 0.000 1.009 379 T CA -0.898 61.379 62.100 0.296 0.000 0.989 379 T CB 1.234 70.211 68.868 0.181 0.000 1.004 379 T HN 0.504 nan 8.240 nan 0.000 0.455 380 L N 3.562 124.966 121.223 0.302 0.000 2.462 380 L HA 0.285 4.625 4.340 -0.000 0.000 0.272 380 L C 1.461 178.390 176.870 0.099 0.000 1.166 380 L CA -0.490 54.470 54.840 0.200 0.000 0.880 380 L CB 0.413 42.559 42.059 0.144 0.000 1.142 380 L HN 1.005 nan 8.230 nan 0.000 0.473 381 S N 1.529 117.238 115.700 0.016 0.000 2.641 381 S HA 0.065 4.535 4.470 -0.000 0.000 0.261 381 S C 0.815 175.373 174.600 -0.071 0.000 1.257 381 S CA -0.440 57.743 58.200 -0.028 0.000 0.983 381 S CB 1.340 64.487 63.200 -0.088 0.000 0.990 381 S HN 0.652 nan 8.310 nan 0.000 0.572 382 E N -0.060 120.085 120.200 -0.092 0.000 2.158 382 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 382 E C 2.035 178.517 176.600 -0.198 0.000 0.982 382 E CA 1.060 57.395 56.400 -0.107 0.000 0.823 382 E CB -0.452 29.194 29.700 -0.090 0.000 0.766 382 E HN 0.712 nan 8.360 nan 0.000 0.468 383 Q N 0.034 119.654 119.800 -0.300 0.000 2.234 383 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 383 Q C 1.780 177.424 176.000 -0.594 0.000 0.980 383 Q CA 1.729 57.188 55.803 -0.573 0.000 0.869 383 Q CB -0.499 27.812 28.738 -0.711 0.000 0.912 383 Q HN 0.307 nan 8.270 nan 0.000 0.436 384 A N -0.064 122.567 122.820 -0.315 0.000 1.968 384 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 384 A C 1.887 179.435 177.584 -0.060 0.000 1.169 384 A CA 1.068 53.016 52.037 -0.148 0.000 0.638 384 A CB -0.250 18.659 19.000 -0.151 0.000 0.812 384 A HN 0.212 nan 8.150 nan 0.000 0.446 385 R N -0.304 120.147 120.500 -0.081 0.000 2.093 385 R HA 0.051 4.391 4.340 -0.000 0.000 0.224 385 R C 2.105 178.388 176.300 -0.028 0.000 1.101 385 R CA 0.974 57.058 56.100 -0.027 0.000 0.979 385 R CB -0.646 29.640 30.300 -0.023 0.000 0.877 385 R HN 0.528 nan 8.270 nan 0.000 0.441 386 R N -0.475 119.957 120.500 -0.114 0.000 2.096 386 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 386 R C 1.339 177.675 176.300 0.059 0.000 1.127 386 R CA 1.051 57.087 56.100 -0.107 0.000 0.968 386 R CB -0.012 30.115 30.300 -0.287 0.000 0.861 386 R HN 0.240 nan 8.270 nan 0.000 0.440 387 W N 0.623 121.906 121.300 -0.027 0.000 3.256 387 W HA 0.144 4.804 4.660 -0.000 0.000 0.269 387 W C 0.050 176.564 176.519 -0.009 0.000 1.310 387 W CA -0.096 57.240 57.345 -0.015 0.000 1.673 387 W CB -0.453 28.985 29.460 -0.037 0.000 1.115 387 W HN -0.180 nan 8.180 nan 0.000 0.686 388 T N 1.423 116.081 114.554 0.172 0.000 2.851 388 T HA 0.091 4.441 4.350 -0.000 0.000 0.298 388 T C 1.235 175.981 174.700 0.078 0.000 0.977 388 T CA 0.252 62.400 62.100 0.081 0.000 1.126 388 T CB 1.704 70.598 68.868 0.044 0.000 0.916 388 T HN 0.125 nan 8.240 nan 0.000 0.529 389 Q N 1.904 121.736 119.800 0.053 0.000 2.390 389 Q HA 0.315 4.655 4.340 -0.000 0.000 0.216 389 Q C 0.133 176.121 176.000 -0.021 0.000 0.916 389 Q CA 0.490 56.327 55.803 0.058 0.000 0.911 389 Q CB 0.546 29.376 28.738 0.153 0.000 1.035 389 Q HN 0.526 nan 8.270 nan 0.000 0.541 390 L N -0.397 120.747 121.223 -0.132 0.000 2.350 390 L HA 0.662 5.002 4.340 -0.000 0.000 0.260 390 L C -0.474 176.309 176.870 -0.145 0.000 1.015 390 L CA -0.665 54.062 54.840 -0.188 0.000 0.821 390 L CB 2.534 44.331 42.059 -0.437 0.000 1.370 390 L HN -0.186 nan 8.230 nan 0.000 0.416 391 T N 0.165 114.751 114.554 0.055 0.000 2.893 391 T HA 0.603 4.953 4.350 -0.000 0.000 0.337 391 T C -1.706 173.099 174.700 0.174 0.000 1.587 391 T CA -0.485 61.717 62.100 0.169 0.000 1.066 391 T CB 1.131 70.054 68.868 0.092 0.000 1.414 391 T HN 0.956 nan 8.240 nan 0.000 0.488 392 C N 1.785 121.159 119.300 0.124 0.000 3.288 392 C HA 0.966 5.426 4.460 -0.000 0.000 0.318 392 C C -1.105 173.741 174.990 -0.241 0.000 1.356 392 C CA -0.803 58.161 59.018 -0.089 0.000 1.359 392 C CB 1.132 28.787 27.740 -0.142 0.000 1.688 392 C HN 1.034 nan 8.230 nan 0.000 0.467 393 E N -0.265 119.628 120.200 -0.511 0.000 2.393 393 E HA 0.772 5.122 4.350 -0.000 0.000 0.273 393 E C -1.779 174.306 176.600 -0.858 0.000 0.918 393 E CA -0.336 55.753 56.400 -0.519 0.000 0.773 393 E CB 2.410 32.019 29.700 -0.152 0.000 1.275 393 E HN 0.621 nan 8.360 nan 0.000 0.451 394 F N 0.136 119.933 119.950 -0.257 0.000 2.588 394 F HA 0.636 5.163 4.527 -0.000 0.000 0.310 394 F C 0.819 176.588 175.800 -0.053 0.000 1.082 394 F CA -0.122 57.801 58.000 -0.128 0.000 0.929 394 F CB 2.157 41.069 39.000 -0.146 0.000 1.254 394 F HN 0.714 nan 8.300 nan 0.000 0.455 395 G N 2.015 110.944 108.800 0.214 0.000 2.598 395 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.244 395 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.244 395 G C -1.160 173.936 174.900 0.328 0.000 1.302 395 G CA -0.376 44.867 45.100 0.239 0.000 0.903 395 G HN 0.872 nan 8.290 nan 0.000 0.575 396 K N 0.467 121.064 120.400 0.328 0.000 2.507 396 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 396 K C 0.439 177.110 176.600 0.118 0.000 0.943 396 K CA -0.809 55.615 56.287 0.229 0.000 0.808 396 K CB 0.923 33.488 32.500 0.109 0.000 1.142 396 K HN 0.678 nan 8.250 nan 0.000 0.426 397 R N 4.443 124.819 120.500 -0.207 0.000 2.486 397 R HA 0.011 4.351 4.340 -0.000 0.000 0.303 397 R C -1.717 174.462 176.300 -0.201 0.000 0.958 397 R CA -0.802 54.983 56.100 -0.525 0.000 1.077 397 R CB -0.349 29.471 30.300 -0.800 0.000 0.921 397 R HN 0.502 nan 8.270 nan 0.000 0.406 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.066 63.100 -0.057 0.000 0.800 398 P CB 0.000 31.694 31.700 -0.010 0.000 0.726