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 1yis_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASEDKFESVL STRYCKNSPL VSILSETNKA TLWRQLWIWL AEAEKELGLK DATA SEQUENCE QVTQDAIDEX KSNRDVFDWP FIRSEERKLK HDVXAHNHAF GKLCPTAAGI DATA SEQUENCE IHLGATSCFV QDNADLIAYR DSIDHILKRF ATVIDRLAAF SLKNKEVVTV DATA SEQUENCE GRTHYQTASL VTVGKRGVLW AQELLXAFQS LSEFRDKXRF RGIKGATGTQ DATA SEQUENCE DSFLTLFAGD ESKVEALDEL VTKKANFSNR FLITGQTYSR QQDSQLVFSL DATA SEQUENCE SLLGAAAKKV cTDIRVLQAF GELLEPXXXX XXXXXXXXXK KNPXKSERcC DATA SEQUENCE ALSRKLINAP QEALTILADQ GLERTLDDSA GRRXLIPDVL LTAEALLTTL DATA SEQUENCE QNIFEGLSVQ TDNVKKIVED EIAFLGLEKA XXXLXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQTX ADPFFDSVRD RVVGLVNNPI NFTGRCVSQT DATA SEQUENCE ESFIAKELKP TIDKYLD 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.564 177.584 -0.034 0.000 1.274 2 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 S N 0.726 116.399 115.700 -0.045 0.000 2.423 3 S HA -0.139 4.331 4.470 -0.001 0.000 0.231 3 S C 1.025 175.586 174.600 -0.064 0.000 1.014 3 S CA 1.972 60.137 58.200 -0.058 0.000 0.965 3 S CB -0.255 62.902 63.200 -0.072 0.000 0.785 3 S HN 0.710 nan 8.310 nan 0.000 0.495 4 E N 1.631 121.797 120.200 -0.057 0.000 2.268 4 E HA -0.022 4.328 4.350 -0.001 0.000 0.195 4 E C 1.194 177.771 176.600 -0.038 0.000 0.995 4 E CA 0.959 57.325 56.400 -0.058 0.000 0.836 4 E CB -0.243 29.427 29.700 -0.049 0.000 0.763 4 E HN 0.569 nan 8.360 nan 0.000 0.491 5 D N 0.204 120.588 120.400 -0.027 0.000 2.348 5 D HA -0.036 4.604 4.640 -0.001 0.000 0.216 5 D C 0.202 176.503 176.300 0.001 0.000 0.970 5 D CA 0.869 54.862 54.000 -0.012 0.000 0.889 5 D CB 0.275 41.068 40.800 -0.011 0.000 0.912 5 D HN -0.040 nan 8.370 nan 0.000 0.524 6 K N 0.156 120.554 120.400 -0.004 0.000 2.375 6 K HA 0.235 4.555 4.320 -0.001 0.000 0.249 6 K C -0.496 176.127 176.600 0.038 0.000 0.942 6 K CA -1.141 55.163 56.287 0.029 0.000 0.806 6 K CB 1.648 34.159 32.500 0.017 0.000 1.227 6 K HN -0.136 nan 8.250 nan 0.000 0.430 7 F N 2.494 122.419 119.950 -0.042 0.000 2.629 7 F HA -0.055 4.472 4.527 -0.001 0.000 0.377 7 F C 0.290 176.056 175.800 -0.056 0.000 1.101 7 F CA 1.005 58.977 58.000 -0.046 0.000 1.301 7 F CB 0.546 39.522 39.000 -0.041 0.000 1.062 7 F HN 0.291 nan 8.300 nan 0.000 0.583 8 E N 3.101 122.721 120.200 -0.967 0.000 2.343 8 E HA 0.151 4.501 4.350 -0.001 0.000 0.270 8 E C -1.121 174.922 176.600 -0.929 0.000 0.895 8 E CA -0.924 55.060 56.400 -0.692 0.000 0.767 8 E CB 1.861 31.316 29.700 -0.408 0.000 1.248 8 E HN 0.501 nan 8.360 nan 0.000 0.440 9 S N 0.881 116.291 115.700 -0.484 0.000 2.465 9 S HA 0.020 4.490 4.470 -0.001 0.000 0.280 9 S C 0.970 175.363 174.600 -0.345 0.000 1.232 9 S CA -0.316 57.688 58.200 -0.328 0.000 1.066 9 S CB 0.542 63.648 63.200 -0.157 0.000 0.929 9 S HN 0.430 nan 8.310 nan 0.000 0.494 10 V N 6.918 126.617 119.914 -0.359 0.000 2.809 10 V HA -0.036 4.083 4.120 -0.001 0.000 0.256 10 V C 1.729 177.515 176.094 -0.514 0.000 1.080 10 V CA 1.702 63.728 62.300 -0.457 0.000 1.102 10 V CB -0.548 30.998 31.823 -0.462 0.000 0.705 10 V HN 0.948 nan 8.190 nan 0.000 0.475 11 L N -0.291 120.774 121.223 -0.263 0.000 2.023 11 L HA -0.092 4.248 4.340 -0.001 0.000 0.205 11 L C 2.779 179.581 176.870 -0.113 0.000 1.073 11 L CA 1.970 56.747 54.840 -0.106 0.000 0.745 11 L CB -0.756 41.306 42.059 0.004 0.000 0.900 11 L HN 0.418 nan 8.230 nan 0.000 0.435 12 S N -0.699 114.925 115.700 -0.126 0.000 2.368 12 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 12 S C 2.015 176.535 174.600 -0.133 0.000 1.029 12 S CA 1.995 60.128 58.200 -0.112 0.000 0.988 12 S CB -0.263 62.871 63.200 -0.111 0.000 0.838 12 S HN 0.617 nan 8.310 nan 0.000 0.462 13 T N -1.676 112.768 114.554 -0.184 0.000 3.054 13 T HA 0.273 4.623 4.350 -0.001 0.000 0.259 13 T C 1.725 176.313 174.700 -0.187 0.000 1.092 13 T CA 0.444 62.436 62.100 -0.179 0.000 1.121 13 T CB 0.025 68.770 68.868 -0.205 0.000 0.912 13 T HN 0.422 nan 8.240 nan 0.000 0.489 14 R N -1.181 119.164 120.500 -0.259 0.000 2.502 14 R HA 0.226 4.566 4.340 -0.001 0.000 0.174 14 R C 1.578 177.814 176.300 -0.106 0.000 1.201 14 R CA -0.057 55.890 56.100 -0.255 0.000 1.151 14 R CB -0.097 29.929 30.300 -0.457 0.000 1.202 14 R HN 0.254 nan 8.270 nan 0.000 0.509 15 Y N 0.020 120.277 120.300 -0.072 0.000 2.421 15 Y HA -0.020 4.529 4.550 -0.001 0.000 0.292 15 Y C 1.441 177.301 175.900 -0.066 0.000 1.136 15 Y CA 0.037 58.095 58.100 -0.069 0.000 1.255 15 Y CB -0.125 38.292 38.460 -0.071 0.000 0.991 15 Y HN 0.204 nan 8.280 nan 0.000 0.552 16 C N -0.446 118.889 119.300 0.058 0.000 3.365 16 C HA 0.144 4.604 4.460 -0.001 0.000 0.266 16 C C 2.024 177.000 174.990 -0.024 0.000 1.631 16 C CA -1.029 57.996 59.018 0.012 0.000 1.789 16 C CB -0.618 27.124 27.740 0.004 0.000 3.088 16 C HN 0.530 nan 8.230 nan 0.000 0.547 17 K N 1.751 122.129 120.400 -0.036 0.000 2.173 17 K HA -0.195 4.125 4.320 -0.001 0.000 0.207 17 K C 0.824 177.399 176.600 -0.042 0.000 1.046 17 K CA 2.073 58.330 56.287 -0.051 0.000 0.929 17 K CB -0.434 32.032 32.500 -0.057 0.000 0.720 17 K HN 0.617 nan 8.250 nan 0.000 0.453 18 N N 0.550 119.232 118.700 -0.031 0.000 2.270 18 N HA 0.006 4.746 4.740 -0.001 0.000 0.198 18 N C -0.569 174.920 175.510 -0.035 0.000 1.117 18 N CA -0.385 52.648 53.050 -0.028 0.000 0.845 18 N CB 0.832 39.308 38.487 -0.018 0.000 0.980 18 N HN 0.109 nan 8.380 nan 0.000 0.486 19 S N 1.378 117.052 115.700 -0.043 0.000 2.554 19 S HA 0.233 4.702 4.470 -0.001 0.000 0.278 19 S C -1.507 173.033 174.600 -0.100 0.000 1.242 19 S CA -1.791 56.371 58.200 -0.063 0.000 1.051 19 S CB 0.871 64.042 63.200 -0.049 0.000 0.986 19 S HN 0.060 nan 8.310 nan 0.000 0.502 20 P HA -0.014 nan 4.420 nan 0.000 0.230 20 P C 1.217 178.409 177.300 -0.181 0.000 1.158 20 P CA 0.384 63.350 63.100 -0.223 0.000 0.769 20 P CB 0.109 31.541 31.700 -0.448 0.000 0.807 21 L N -0.509 120.630 121.223 -0.139 0.000 2.201 21 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 21 L C 2.637 179.481 176.870 -0.045 0.000 1.105 21 L CA 1.282 56.085 54.840 -0.061 0.000 0.775 21 L CB -1.114 40.931 42.059 -0.024 0.000 0.913 21 L HN -0.185 nan 8.230 nan 0.000 0.440 22 V N -1.729 118.150 119.914 -0.059 0.000 2.594 22 V HA -0.233 3.887 4.120 -0.001 0.000 0.253 22 V C 2.310 178.366 176.094 -0.063 0.000 1.069 22 V CA 1.805 64.070 62.300 -0.058 0.000 1.082 22 V CB -0.340 31.444 31.823 -0.064 0.000 0.680 22 V HN 0.429 nan 8.190 nan 0.000 0.469 23 S N -0.434 115.229 115.700 -0.062 0.000 2.387 23 S HA 0.118 4.587 4.470 -0.001 0.000 0.221 23 S C 1.868 176.441 174.600 -0.046 0.000 1.041 23 S CA 0.746 58.913 58.200 -0.056 0.000 0.959 23 S CB -0.090 63.082 63.200 -0.046 0.000 0.843 23 S HN 0.464 nan 8.310 nan 0.000 0.488 24 I N 1.648 122.199 120.570 -0.031 0.000 2.264 24 I HA -0.146 4.024 4.170 -0.001 0.000 0.248 24 I C 1.292 177.410 176.117 0.000 0.000 1.111 24 I CA 1.264 62.566 61.300 0.003 0.000 1.382 24 I CB -0.242 37.782 38.000 0.040 0.000 1.060 24 I HN 0.202 nan 8.210 nan 0.000 0.418 25 L N 0.485 121.707 121.223 -0.002 0.000 2.629 25 L HA 0.107 4.446 4.340 -0.001 0.000 0.230 25 L C 1.104 177.945 176.870 -0.049 0.000 1.151 25 L CA -0.377 54.465 54.840 0.004 0.000 0.924 25 L CB -0.455 41.626 42.059 0.036 0.000 1.137 25 L HN 0.218 nan 8.230 nan 0.000 0.457 26 S N -1.542 114.107 115.700 -0.085 0.000 2.603 26 S HA 0.047 4.516 4.470 -0.001 0.000 0.268 26 S C 1.065 175.552 174.600 -0.188 0.000 1.317 26 S CA -0.552 57.568 58.200 -0.134 0.000 1.012 26 S CB 1.640 64.756 63.200 -0.141 0.000 0.926 26 S HN 0.331 nan 8.310 nan 0.000 0.539 27 E N 1.244 121.302 120.200 -0.237 0.000 2.110 27 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 27 E C 1.476 177.896 176.600 -0.301 0.000 0.988 27 E CA 1.654 57.882 56.400 -0.288 0.000 0.804 27 E CB -0.539 28.966 29.700 -0.325 0.000 0.745 27 E HN 0.811 nan 8.360 nan 0.000 0.458 28 T N 0.475 114.861 114.554 -0.280 0.000 2.746 28 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 28 T C 1.670 176.183 174.700 -0.312 0.000 1.039 28 T CA 1.430 63.362 62.100 -0.279 0.000 1.142 28 T CB -0.396 68.364 68.868 -0.180 0.000 0.866 28 T HN 0.236 nan 8.240 nan 0.000 0.444 29 N N 0.780 119.353 118.700 -0.212 0.000 2.188 29 N HA -0.077 4.663 4.740 -0.001 0.000 0.184 29 N C 1.783 177.149 175.510 -0.239 0.000 1.018 29 N CA 0.966 53.922 53.050 -0.157 0.000 0.858 29 N CB 0.002 38.432 38.487 -0.095 0.000 0.989 29 N HN 0.078 nan 8.380 nan 0.000 0.426 30 K N 0.520 120.713 120.400 -0.346 0.000 2.025 30 K HA 0.041 4.360 4.320 -0.001 0.000 0.207 30 K C 1.941 177.968 176.600 -0.956 0.000 1.049 30 K CA 1.183 57.148 56.287 -0.537 0.000 0.933 30 K CB -0.899 31.274 32.500 -0.545 0.000 0.714 30 K HN 0.274 nan 8.250 nan 0.000 0.438 31 A N 0.942 123.198 122.820 -0.940 0.000 1.969 31 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 31 A C 2.304 179.705 177.584 -0.305 0.000 1.169 31 A CA 2.043 53.521 52.037 -0.932 0.000 0.635 31 A CB -0.886 17.717 19.000 -0.661 0.000 0.810 31 A HN 0.328 nan 8.150 nan 0.000 0.445 32 T N 0.439 114.911 114.554 -0.136 0.000 2.777 32 T HA -0.059 4.290 4.350 -0.001 0.000 0.266 32 T C 1.765 176.396 174.700 -0.114 0.000 1.040 32 T CA 1.380 63.512 62.100 0.052 0.000 1.141 32 T CB -0.332 68.585 68.868 0.081 0.000 0.868 32 T HN 0.378 nan 8.240 nan 0.000 0.444 33 L N -0.790 120.330 121.223 -0.172 0.000 2.141 33 L HA -0.061 4.279 4.340 -0.001 0.000 0.209 33 L C 2.529 179.325 176.870 -0.123 0.000 1.094 33 L CA 0.988 55.745 54.840 -0.139 0.000 0.763 33 L CB -0.455 41.555 42.059 -0.082 0.000 0.908 33 L HN 0.345 nan 8.230 nan 0.000 0.437 34 W N 0.752 121.798 121.300 -0.424 0.000 2.358 34 W HA -0.123 4.536 4.660 -0.001 0.000 0.303 34 W C 2.766 178.811 176.519 -0.790 0.000 1.208 34 W CA 0.768 57.678 57.345 -0.724 0.000 1.274 34 W CB -0.827 28.148 29.460 -0.808 0.000 1.138 34 W HN 0.091 nan 8.180 nan 0.000 0.515 35 R N -0.340 120.016 120.500 -0.241 0.000 2.092 35 R HA -0.173 4.167 4.340 -0.001 0.000 0.231 35 R C 2.084 178.334 176.300 -0.083 0.000 1.119 35 R CA 1.558 57.552 56.100 -0.176 0.000 0.970 35 R CB -0.639 29.317 30.300 -0.573 0.000 0.864 35 R HN 0.048 nan 8.270 nan 0.000 0.440 36 Q N 1.130 120.780 119.800 -0.251 0.000 2.084 36 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 36 Q C 1.885 177.536 176.000 -0.581 0.000 0.978 36 Q CA 1.513 57.012 55.803 -0.508 0.000 0.844 36 Q CB -0.171 28.168 28.738 -0.664 0.000 0.898 36 Q HN 0.316 nan 8.270 nan 0.000 0.426 37 L N -1.355 119.695 121.223 -0.289 0.000 2.056 37 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 37 L C 2.100 179.218 176.870 0.413 0.000 1.078 37 L CA 0.876 55.740 54.840 0.041 0.000 0.749 37 L CB -0.536 41.366 42.059 -0.262 0.000 0.901 37 L HN 0.369 nan 8.230 nan 0.000 0.433 38 W N 0.234 121.727 121.300 0.322 0.000 2.374 38 W HA -0.129 4.531 4.660 -0.001 0.000 0.288 38 W C 2.376 179.087 176.519 0.319 0.000 1.218 38 W CA 0.830 58.418 57.345 0.405 0.000 1.245 38 W CB -0.635 29.061 29.460 0.392 0.000 1.126 38 W HN 0.160 nan 8.180 nan 0.000 0.545 39 I N -1.250 119.572 120.570 0.420 0.000 2.163 39 I HA -0.302 3.868 4.170 -0.001 0.000 0.240 39 I C 2.398 178.714 176.117 0.332 0.000 1.081 39 I CA 1.310 62.775 61.300 0.275 0.000 1.353 39 I CB -0.721 37.325 38.000 0.076 0.000 1.054 39 I HN -0.092 nan 8.210 nan 0.000 0.407 40 W N 0.471 121.943 121.300 0.288 0.000 2.363 40 W HA -0.184 4.476 4.660 -0.001 0.000 0.296 40 W C 2.448 179.126 176.519 0.264 0.000 1.212 40 W CA 0.683 58.175 57.345 0.245 0.000 1.260 40 W CB -1.126 28.476 29.460 0.237 0.000 1.131 40 W HN 0.200 nan 8.180 nan 0.000 0.530 41 L N 1.236 122.809 121.223 0.584 0.000 2.017 41 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 41 L C 2.461 179.504 176.870 0.289 0.000 1.073 41 L CA 2.773 57.852 54.840 0.398 0.000 0.745 41 L CB -1.287 40.994 42.059 0.371 0.000 0.894 41 L HN -0.109 nan 8.230 nan 0.000 0.432 42 A N -0.721 122.278 122.820 0.297 0.000 1.902 42 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 42 A C 2.127 179.822 177.584 0.186 0.000 1.181 42 A CA 1.871 54.030 52.037 0.204 0.000 0.623 42 A CB -0.661 18.452 19.000 0.187 0.000 0.818 42 A HN 0.637 nan 8.150 nan 0.000 0.443 43 E N -0.178 120.159 120.200 0.229 0.000 2.051 43 E HA -0.117 4.233 4.350 -0.001 0.000 0.192 43 E C 2.357 179.060 176.600 0.172 0.000 0.991 43 E CA 0.994 57.513 56.400 0.198 0.000 0.799 43 E CB -0.334 29.514 29.700 0.248 0.000 0.748 43 E HN 0.609 nan 8.360 nan 0.000 0.449 44 A N 1.693 124.629 122.820 0.192 0.000 1.877 44 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 44 A C 1.971 179.655 177.584 0.166 0.000 1.186 44 A CA 1.533 53.661 52.037 0.153 0.000 0.620 44 A CB -0.467 18.621 19.000 0.145 0.000 0.822 44 A HN 0.172 nan 8.150 nan 0.000 0.443 45 E N -0.457 119.855 120.200 0.187 0.000 2.118 45 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 45 E C 2.093 178.794 176.600 0.169 0.000 0.992 45 E CA 1.419 57.944 56.400 0.209 0.000 0.804 45 E CB -0.144 29.636 29.700 0.134 0.000 0.741 45 E HN 0.682 nan 8.360 nan 0.000 0.458 46 K N 1.307 121.783 120.400 0.127 0.000 2.025 46 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 46 K C 1.874 178.534 176.600 0.101 0.000 1.049 46 K CA 1.351 57.698 56.287 0.099 0.000 0.933 46 K CB 0.072 32.623 32.500 0.084 0.000 0.714 46 K HN 0.036 nan 8.250 nan 0.000 0.438 47 E N 0.403 120.664 120.200 0.102 0.000 2.209 47 E HA -0.164 4.186 4.350 -0.001 0.000 0.196 47 E C 1.497 178.145 176.600 0.081 0.000 0.993 47 E CA 0.902 57.350 56.400 0.080 0.000 0.819 47 E CB 0.022 29.765 29.700 0.071 0.000 0.745 47 E HN 0.351 nan 8.360 nan 0.000 0.477 48 L N -0.674 120.622 121.223 0.122 0.000 2.611 48 L HA 0.182 4.521 4.340 -0.001 0.000 0.229 48 L C 1.236 178.218 176.870 0.187 0.000 1.137 48 L CA 0.291 55.207 54.840 0.127 0.000 0.901 48 L CB 0.329 42.471 42.059 0.138 0.000 1.098 48 L HN 0.296 nan 8.230 nan 0.000 0.456 49 G N 0.009 108.901 108.800 0.154 0.000 2.179 49 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.220 49 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.220 49 G C 0.248 175.222 174.900 0.123 0.000 0.990 49 G CA -0.566 44.615 45.100 0.135 0.000 0.646 49 G HN 0.164 nan 8.290 nan 0.000 0.517 50 L N 1.492 122.790 121.223 0.125 0.000 2.462 50 L HA 0.230 4.569 4.340 -0.001 0.000 0.283 50 L C 1.836 178.719 176.870 0.021 0.000 1.166 50 L CA -0.188 54.672 54.840 0.033 0.000 0.964 50 L CB 0.404 42.439 42.059 -0.039 0.000 1.294 50 L HN 0.191 nan 8.230 nan 0.000 0.449 51 K N 1.359 121.769 120.400 0.017 0.000 2.211 51 K HA -0.208 4.112 4.320 -0.001 0.000 0.204 51 K C 1.971 178.568 176.600 -0.005 0.000 1.047 51 K CA 1.155 57.448 56.287 0.010 0.000 0.935 51 K CB 0.022 32.527 32.500 0.009 0.000 0.728 51 K HN 0.644 nan 8.250 nan 0.000 0.452 52 Q N 0.752 120.539 119.800 -0.022 0.000 2.368 52 Q HA -0.109 4.231 4.340 -0.001 0.000 0.210 52 Q C 0.438 176.420 176.000 -0.031 0.000 0.982 52 Q CA 0.948 56.730 55.803 -0.035 0.000 0.884 52 Q CB -0.472 28.232 28.738 -0.057 0.000 0.933 52 Q HN 0.093 nan 8.270 nan 0.000 0.460 53 V N 3.767 123.672 119.914 -0.016 0.000 2.353 53 V HA 0.160 4.279 4.120 -0.001 0.000 0.264 53 V C 0.555 176.653 176.094 0.007 0.000 1.049 53 V CA -0.049 62.249 62.300 -0.004 0.000 0.896 53 V CB 0.698 32.532 31.823 0.020 0.000 1.025 53 V HN 0.400 nan 8.190 nan 0.000 0.475 54 T N 1.666 116.218 114.554 -0.003 0.000 2.902 54 T HA 0.284 4.634 4.350 -0.001 0.000 0.280 54 T C 0.777 175.483 174.700 0.009 0.000 0.992 54 T CA -0.424 61.676 62.100 0.001 0.000 1.015 54 T CB 1.669 70.531 68.868 -0.010 0.000 1.044 54 T HN 0.409 nan 8.240 nan 0.000 0.520 55 Q N 0.157 119.966 119.800 0.014 0.000 2.224 55 Q HA -0.077 4.263 4.340 -0.001 0.000 0.203 55 Q C 1.484 177.490 176.000 0.010 0.000 0.970 55 Q CA 1.692 57.508 55.803 0.021 0.000 0.865 55 Q CB -0.516 28.236 28.738 0.023 0.000 0.922 55 Q HN 0.765 nan 8.270 nan 0.000 0.445 56 D N -0.489 119.910 120.400 -0.002 0.000 2.144 56 D HA -0.067 4.573 4.640 -0.001 0.000 0.200 56 D C 1.530 177.814 176.300 -0.027 0.000 0.978 56 D CA 1.284 55.275 54.000 -0.014 0.000 0.833 56 D CB -0.192 40.596 40.800 -0.020 0.000 0.961 56 D HN 0.382 nan 8.370 nan 0.000 0.470 57 A N 0.920 123.721 122.820 -0.031 0.000 1.877 57 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 57 A C 2.368 179.926 177.584 -0.043 0.000 1.186 57 A CA 0.835 52.840 52.037 -0.054 0.000 0.620 57 A CB -0.719 18.250 19.000 -0.051 0.000 0.822 57 A HN 0.170 nan 8.150 nan 0.000 0.443 58 I N 0.011 120.581 120.570 -0.000 0.000 2.286 58 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 58 I C 1.730 177.866 176.117 0.031 0.000 1.115 58 I CA 1.459 62.780 61.300 0.035 0.000 1.392 58 I CB -0.470 37.569 38.000 0.065 0.000 1.065 58 I HN 0.274 nan 8.210 nan 0.000 0.418 59 D N 0.774 121.184 120.400 0.016 0.000 2.144 59 D HA -0.087 4.552 4.640 -0.001 0.000 0.199 59 D C 1.074 177.373 176.300 -0.002 0.000 0.984 59 D CA 0.794 54.803 54.000 0.016 0.000 0.834 59 D CB -0.182 40.623 40.800 0.009 0.000 0.955 59 D HN 0.444 nan 8.370 nan 0.000 0.465 63 S N 1.172 116.907 115.700 0.059 0.000 2.387 63 S HA 0.010 4.480 4.470 -0.001 0.000 0.226 63 S C 1.060 175.684 174.600 0.040 0.000 1.026 63 S CA 1.123 59.346 58.200 0.037 0.000 0.972 63 S CB -0.010 63.199 63.200 0.015 0.000 0.814 63 S HN 0.222 nan 8.310 nan 0.000 0.477 64 N N 0.952 119.695 118.700 0.072 0.000 2.251 64 N HA 0.171 4.911 4.740 -0.001 0.000 0.217 64 N C 1.264 176.851 175.510 0.130 0.000 1.124 64 N CA -0.106 52.993 53.050 0.081 0.000 0.843 64 N CB -0.039 38.490 38.487 0.071 0.000 1.024 64 N HN 0.406 nan 8.380 nan 0.000 0.501 65 R N 0.970 121.541 120.500 0.118 0.000 2.103 65 R HA -0.087 4.253 4.340 -0.001 0.000 0.242 65 R C -0.094 176.074 176.300 -0.221 0.000 1.142 65 R CA 1.407 57.496 56.100 -0.018 0.000 0.960 65 R CB 0.184 30.488 30.300 0.006 0.000 0.858 65 R HN 0.105 nan 8.270 nan 0.000 0.439 66 D N 0.147 120.465 120.400 -0.136 0.000 2.342 66 D HA 0.061 4.701 4.640 -0.001 0.000 0.221 66 D C -0.453 175.717 176.300 -0.218 0.000 1.101 66 D CA 0.132 54.072 54.000 -0.100 0.000 0.837 66 D CB 0.759 41.593 40.800 0.056 0.000 0.938 66 D HN -0.013 nan 8.370 nan 0.000 0.508 67 V N 1.917 121.591 119.914 -0.400 0.000 2.348 67 V HA 0.222 4.342 4.120 -0.001 0.000 0.270 67 V C -0.320 175.422 176.094 -0.587 0.000 1.037 67 V CA -0.379 61.739 62.300 -0.304 0.000 0.872 67 V CB 0.028 31.758 31.823 -0.156 0.000 1.002 67 V HN -0.100 nan 8.190 nan 0.000 0.464 68 F N 2.598 122.477 119.950 -0.117 0.000 2.467 68 F HA 0.412 4.938 4.527 -0.001 0.000 0.336 68 F C 0.477 176.086 175.800 -0.319 0.000 1.123 68 F CA -0.834 56.947 58.000 -0.365 0.000 0.964 68 F CB 1.661 40.265 39.000 -0.660 0.000 1.136 68 F HN 0.383 nan 8.300 nan 0.000 0.447 69 D N 3.592 123.916 120.400 -0.126 0.000 2.622 69 D HA 0.063 4.703 4.640 -0.001 0.000 0.262 69 D C 0.695 177.030 176.300 0.057 0.000 1.189 69 D CA -0.270 53.748 54.000 0.030 0.000 0.985 69 D CB 0.086 40.946 40.800 0.100 0.000 0.994 69 D HN 0.584 nan 8.370 nan 0.000 0.513 70 W N 1.813 123.231 121.300 0.197 0.000 2.305 70 W HA -0.168 4.492 4.660 -0.001 0.000 0.308 70 W C -0.356 176.221 176.519 0.097 0.000 1.226 70 W CA 1.053 58.472 57.345 0.125 0.000 1.253 70 W CB -1.193 28.314 29.460 0.079 0.000 1.146 70 W HN 0.425 nan 8.180 nan 0.000 0.507 71 P HA -0.266 nan 4.420 nan 0.000 0.215 71 P C 1.473 178.907 177.300 0.224 0.000 1.153 71 P CA 1.689 64.927 63.100 0.230 0.000 0.853 71 P CB -0.519 31.295 31.700 0.191 0.000 0.788 72 F N 1.076 121.075 119.950 0.082 0.000 2.113 72 F HA -0.106 4.421 4.527 -0.001 0.000 0.297 72 F C 2.309 178.141 175.800 0.054 0.000 1.103 72 F CA 1.044 59.076 58.000 0.054 0.000 1.248 72 F CB -1.155 37.859 39.000 0.023 0.000 0.999 72 F HN -0.299 nan 8.300 nan 0.000 0.475 73 I N 0.237 120.721 120.570 -0.144 0.000 2.194 73 I HA -0.341 3.829 4.170 -0.001 0.000 0.246 73 I C 2.509 178.541 176.117 -0.141 0.000 1.093 73 I CA 1.025 62.153 61.300 -0.287 0.000 1.355 73 I CB -0.497 37.355 38.000 -0.247 0.000 1.046 73 I HN 0.082 nan 8.210 nan 0.000 0.413 74 R N 0.879 121.401 120.500 0.035 0.000 2.073 74 R HA -0.132 4.207 4.340 -0.001 0.000 0.234 74 R C 2.576 178.871 176.300 -0.008 0.000 1.134 74 R CA 1.895 58.029 56.100 0.058 0.000 0.952 74 R CB -1.348 29.017 30.300 0.107 0.000 0.850 74 R HN 0.525 nan 8.270 nan 0.000 0.433 75 S N 0.847 116.530 115.700 -0.028 0.000 2.399 75 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 75 S C 1.701 176.244 174.600 -0.095 0.000 1.022 75 S CA 0.815 58.997 58.200 -0.030 0.000 0.983 75 S CB -0.034 63.182 63.200 0.026 0.000 0.803 75 S HN 0.153 nan 8.310 nan 0.000 0.480 76 E N 1.580 121.643 120.200 -0.227 0.000 2.106 76 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 76 E C 1.972 178.503 176.600 -0.114 0.000 0.984 76 E CA 1.001 57.258 56.400 -0.239 0.000 0.806 76 E CB -0.359 29.084 29.700 -0.428 0.000 0.750 76 E HN 0.770 nan 8.360 nan 0.000 0.458 77 E N 0.076 120.233 120.200 -0.072 0.000 2.418 77 E HA -0.096 4.253 4.350 -0.001 0.000 0.197 77 E C 1.962 178.555 176.600 -0.011 0.000 1.026 77 E CA 0.323 56.722 56.400 -0.001 0.000 0.862 77 E CB 0.157 29.887 29.700 0.050 0.000 0.799 77 E HN 0.035 nan 8.360 nan 0.000 0.518 78 R N 0.477 120.962 120.500 -0.026 0.000 2.074 78 R HA 0.069 4.409 4.340 -0.001 0.000 0.218 78 R C 2.108 178.390 176.300 -0.029 0.000 1.137 78 R CA 0.666 56.753 56.100 -0.021 0.000 0.998 78 R CB 0.158 30.452 30.300 -0.011 0.000 0.895 78 R HN -0.097 nan 8.270 nan 0.000 0.442 79 K N 0.524 120.903 120.400 -0.035 0.000 2.044 79 K HA -0.149 4.171 4.320 -0.001 0.000 0.210 79 K C 0.080 176.658 176.600 -0.038 0.000 1.049 79 K CA 1.207 57.473 56.287 -0.035 0.000 0.927 79 K CB -0.347 32.125 32.500 -0.046 0.000 0.713 79 K HN 0.065 nan 8.250 nan 0.000 0.443 80 L N -0.955 120.242 121.223 -0.042 0.000 2.333 80 L HA 0.411 4.750 4.340 -0.001 0.000 0.280 80 L C -0.549 176.300 176.870 -0.034 0.000 1.004 80 L CA -0.824 54.005 54.840 -0.019 0.000 0.820 80 L CB 1.629 43.687 42.059 -0.002 0.000 1.247 80 L HN -0.342 nan 8.230 nan 0.000 0.416 81 K N 3.037 123.369 120.400 -0.113 0.000 3.006 81 K HA 0.323 4.643 4.320 -0.001 0.000 0.265 81 K C -0.914 175.416 176.600 -0.450 0.000 1.279 81 K CA 0.133 56.286 56.287 -0.224 0.000 1.229 81 K CB -0.632 31.718 32.500 -0.249 0.000 1.555 81 K HN 0.514 nan 8.250 nan 0.000 0.300 82 H N -0.397 118.697 119.070 0.040 0.000 3.239 82 H HA 0.059 4.615 4.556 -0.001 0.000 0.320 82 H C -0.168 175.230 175.328 0.116 0.000 1.074 82 H CA -0.610 55.474 56.048 0.059 0.000 1.553 82 H CB 1.379 31.159 29.762 0.030 0.000 1.752 82 H HN 0.148 nan 8.280 nan 0.000 0.513 83 D N 1.405 121.973 120.400 0.278 0.000 2.126 83 D HA -0.128 4.512 4.640 -0.001 0.000 0.190 83 D C 1.289 177.894 176.300 0.508 0.000 1.001 83 D CA 1.233 55.477 54.000 0.407 0.000 0.841 83 D CB 0.428 41.517 40.800 0.481 0.000 0.949 83 D HN 0.212 nan 8.370 nan 0.000 0.446 87 H N 0.829 120.102 119.070 0.338 0.000 2.423 87 H HA -0.072 4.483 4.556 -0.001 0.000 0.297 87 H C 2.064 177.676 175.328 0.472 0.000 1.075 87 H CA 1.530 57.841 56.048 0.438 0.000 1.342 87 H CB 0.109 30.266 29.762 0.658 0.000 1.395 87 H HN 0.601 nan 8.280 nan 0.000 0.530 88 N N 0.689 119.679 118.700 0.484 0.000 2.106 88 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 88 N C 1.965 177.568 175.510 0.155 0.000 1.029 88 N CA 1.157 54.255 53.050 0.080 0.000 0.848 88 N CB -0.201 38.196 38.487 -0.152 0.000 1.007 88 N HN 0.370 nan 8.380 nan 0.000 0.423 89 H N 0.681 119.811 119.070 0.101 0.000 2.290 89 H HA 0.011 4.567 4.556 -0.001 0.000 0.298 89 H C 1.984 177.429 175.328 0.195 0.000 1.087 89 H CA 2.495 58.605 56.048 0.104 0.000 1.291 89 H CB -0.518 29.286 29.762 0.071 0.000 1.369 89 H HN 0.344 nan 8.280 nan 0.000 0.492 90 A N -0.004 122.958 122.820 0.237 0.000 1.908 90 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 90 A C 2.300 180.055 177.584 0.285 0.000 1.181 90 A CA 1.604 53.839 52.037 0.330 0.000 0.627 90 A CB -1.161 17.948 19.000 0.183 0.000 0.818 90 A HN 0.539 nan 8.150 nan 0.000 0.445 91 F N 1.186 121.198 119.950 0.102 0.000 2.293 91 F HA 0.049 4.576 4.527 -0.001 0.000 0.300 91 F C 2.273 178.058 175.800 -0.025 0.000 1.086 91 F CA 0.666 58.700 58.000 0.057 0.000 1.375 91 F CB -0.852 38.246 39.000 0.163 0.000 1.045 91 F HN 0.192 nan 8.300 nan 0.000 0.516 92 G N -0.009 108.788 108.800 -0.005 0.000 2.402 92 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 92 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 92 G C 1.850 176.646 174.900 -0.172 0.000 1.162 92 G CA 0.482 45.492 45.100 -0.150 0.000 0.777 92 G HN 0.287 nan 8.290 nan 0.000 0.539 93 K N -0.197 120.109 120.400 -0.156 0.000 2.148 93 K HA 0.116 4.436 4.320 -0.001 0.000 0.204 93 K C 2.426 178.933 176.600 -0.155 0.000 1.050 93 K CA 0.478 56.659 56.287 -0.177 0.000 0.942 93 K CB -0.194 32.173 32.500 -0.221 0.000 0.724 93 K HN 0.283 nan 8.250 nan 0.000 0.446 94 L N -0.006 121.144 121.223 -0.122 0.000 2.156 94 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 94 L C 0.759 177.523 176.870 -0.177 0.000 1.095 94 L CA 0.443 55.212 54.840 -0.119 0.000 0.770 94 L CB 0.171 42.208 42.059 -0.036 0.000 0.914 94 L HN 0.149 nan 8.230 nan 0.000 0.439 95 C N 0.284 119.426 119.300 -0.263 0.000 3.169 95 C HA 0.247 4.707 4.460 -0.001 0.000 0.232 95 C C -0.807 174.050 174.990 -0.221 0.000 1.316 95 C CA -1.213 57.635 59.018 -0.283 0.000 1.545 95 C CB -0.030 27.421 27.740 -0.481 0.000 1.785 95 C HN 0.208 nan 8.230 nan 0.000 0.454 96 P HA -0.144 nan 4.420 nan 0.000 0.218 96 P C 1.298 178.531 177.300 -0.112 0.000 1.148 96 P CA 1.672 64.696 63.100 -0.127 0.000 0.822 96 P CB 0.113 31.751 31.700 -0.103 0.000 0.784 97 T N -0.386 114.102 114.554 -0.111 0.000 2.904 97 T HA 0.072 4.422 4.350 -0.001 0.000 0.267 97 T C 1.911 176.550 174.700 -0.102 0.000 1.059 97 T CA 1.377 63.422 62.100 -0.091 0.000 1.137 97 T CB -0.377 68.445 68.868 -0.077 0.000 0.879 97 T HN 0.125 nan 8.240 nan 0.000 0.467 98 A N 0.641 123.378 122.820 -0.138 0.000 2.267 98 A HA 0.657 4.977 4.320 -0.001 0.000 0.213 98 A C 2.439 179.924 177.584 -0.164 0.000 1.192 98 A CA 0.906 52.854 52.037 -0.148 0.000 0.851 98 A CB -0.548 18.341 19.000 -0.186 0.000 0.881 98 A HN 0.403 nan 8.150 nan 0.000 0.494 99 A N 0.240 122.962 122.820 -0.164 0.000 1.915 99 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 99 A C 2.318 179.831 177.584 -0.117 0.000 1.198 99 A CA 2.190 54.141 52.037 -0.144 0.000 0.647 99 A CB -1.372 17.559 19.000 -0.114 0.000 0.825 99 A HN 0.826 nan 8.150 nan 0.000 0.456 100 G N -0.285 108.453 108.800 -0.104 0.000 2.471 100 G HA2 0.053 4.012 3.960 -0.001 0.000 0.219 100 G HA3 0.053 4.012 3.960 -0.001 0.000 0.219 100 G C 1.147 175.964 174.900 -0.138 0.000 1.125 100 G CA 1.193 46.231 45.100 -0.102 0.000 0.775 100 G HN 0.923 nan 8.290 nan 0.000 0.548 101 I N -1.705 118.782 120.570 -0.139 0.000 4.018 101 I HA 0.415 4.584 4.170 -0.001 0.000 0.337 101 I C 0.480 176.494 176.117 -0.172 0.000 1.327 101 I CA -1.375 59.834 61.300 -0.152 0.000 1.100 101 I CB 0.075 38.016 38.000 -0.098 0.000 1.025 101 I HN -0.142 nan 8.210 nan 0.000 0.396 102 I N 5.098 125.554 120.570 -0.190 0.000 2.668 102 I HA -0.006 4.163 4.170 -0.001 0.000 0.285 102 I C 1.294 177.239 176.117 -0.285 0.000 1.168 102 I CA 0.532 61.699 61.300 -0.222 0.000 1.424 102 I CB -0.003 37.813 38.000 -0.307 0.000 1.377 102 I HN 0.636 nan 8.210 nan 0.000 0.560 103 H N 4.212 123.133 119.070 -0.249 0.000 3.047 103 H HA -0.198 4.358 4.556 -0.001 0.000 0.263 103 H C -0.387 174.931 175.328 -0.017 0.000 1.168 103 H CA -0.004 56.040 56.048 -0.008 0.000 1.152 103 H CB -1.701 28.045 29.762 -0.026 0.000 1.278 103 H HN 0.485 nan 8.280 nan 0.000 0.339 104 L N 1.953 122.982 121.223 -0.324 0.000 2.771 104 L HA 0.226 4.566 4.340 -0.001 0.000 0.278 104 L C 1.659 178.355 176.870 -0.289 0.000 1.175 104 L CA 2.279 56.912 54.840 -0.344 0.000 0.973 104 L CB -0.395 41.539 42.059 -0.208 0.000 1.286 104 L HN 0.767 nan 8.230 nan 0.000 0.481 105 G N 2.676 111.221 108.800 -0.426 0.000 2.234 105 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.260 105 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.260 105 G C 0.490 174.846 174.900 -0.907 0.000 0.987 105 G CA 0.367 45.039 45.100 -0.714 0.000 0.625 105 G HN 1.303 nan 8.290 nan 0.000 0.532 106 A N -0.315 122.321 122.820 -0.305 0.000 2.271 106 A HA 0.819 5.138 4.320 -0.001 0.000 0.288 106 A C 0.564 178.249 177.584 0.169 0.000 1.094 106 A CA 0.950 53.011 52.037 0.041 0.000 0.828 106 A CB 0.768 19.848 19.000 0.133 0.000 1.091 106 A HN 0.643 nan 8.150 nan 0.000 0.493 107 T N 0.248 114.925 114.554 0.205 0.000 2.944 107 T HA 0.336 4.686 4.350 -0.001 0.000 0.284 107 T C 1.547 176.346 174.700 0.166 0.000 1.010 107 T CA 0.063 62.249 62.100 0.144 0.000 1.025 107 T CB 1.460 70.386 68.868 0.098 0.000 1.079 107 T HN 0.613 nan 8.240 nan 0.000 0.516 108 S N 0.523 116.243 115.700 0.033 0.000 2.383 108 S HA -0.146 4.323 4.470 -0.001 0.000 0.229 108 S C 2.258 176.793 174.600 -0.109 0.000 1.030 108 S CA 0.875 59.039 58.200 -0.059 0.000 1.002 108 S CB -0.522 62.602 63.200 -0.126 0.000 0.829 108 S HN 0.856 nan 8.310 nan 0.000 0.467 109 C N 1.347 120.620 119.300 -0.044 0.000 2.409 109 C HA -0.078 4.381 4.460 -0.001 0.000 0.288 109 C C 2.209 177.175 174.990 -0.040 0.000 1.395 109 C CA 0.393 59.375 59.018 -0.060 0.000 1.792 109 C CB -1.925 25.803 27.740 -0.020 0.000 1.847 109 C HN 0.604 nan 8.230 nan 0.000 0.534 110 F N 1.855 121.758 119.950 -0.078 0.000 2.095 110 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 110 F C 2.172 177.871 175.800 -0.168 0.000 1.104 110 F CA 2.605 60.574 58.000 -0.053 0.000 1.232 110 F CB -0.632 38.426 39.000 0.097 0.000 0.987 110 F HN 0.229 nan 8.300 nan 0.000 0.475 111 V N -1.580 117.998 119.914 -0.559 0.000 2.446 111 V HA -0.112 4.008 4.120 -0.001 0.000 0.244 111 V C 2.093 177.792 176.094 -0.658 0.000 1.039 111 V CA 1.338 63.128 62.300 -0.849 0.000 1.045 111 V CB -1.174 29.898 31.823 -1.253 0.000 0.681 111 V HN 0.420 nan 8.190 nan 0.000 0.459 112 Q N 0.584 120.016 119.800 -0.613 0.000 1.975 112 Q HA -0.242 4.098 4.340 -0.001 0.000 0.205 112 Q C 2.203 178.143 176.000 -0.100 0.000 0.990 112 Q CA 2.467 58.110 55.803 -0.266 0.000 0.845 112 Q CB -0.352 28.252 28.738 -0.223 0.000 0.913 112 Q HN 0.628 nan 8.270 nan 0.000 0.420 113 D N -0.007 120.323 120.400 -0.117 0.000 2.097 113 D HA -0.111 4.528 4.640 -0.001 0.000 0.195 113 D C 1.607 177.850 176.300 -0.095 0.000 0.989 113 D CA 0.866 54.867 54.000 0.003 0.000 0.827 113 D CB -0.227 40.607 40.800 0.057 0.000 0.966 113 D HN 0.166 nan 8.370 nan 0.000 0.456 114 N N 0.016 118.525 118.700 -0.317 0.000 2.309 114 N HA -0.058 4.682 4.740 -0.001 0.000 0.182 114 N C 1.585 176.980 175.510 -0.191 0.000 1.018 114 N CA 0.891 53.658 53.050 -0.471 0.000 0.876 114 N CB -0.033 38.007 38.487 -0.745 0.000 0.972 114 N HN 0.116 nan 8.380 nan 0.000 0.434 115 A N 1.310 124.055 122.820 -0.125 0.000 1.929 115 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 115 A C 1.796 179.313 177.584 -0.110 0.000 1.176 115 A CA 1.226 53.256 52.037 -0.012 0.000 0.628 115 A CB -0.209 18.901 19.000 0.183 0.000 0.816 115 A HN 0.084 nan 8.150 nan 0.000 0.444 116 D N 0.403 120.680 120.400 -0.205 0.000 2.092 116 D HA -0.143 4.496 4.640 -0.001 0.000 0.193 116 D C 1.964 177.792 176.300 -0.786 0.000 0.994 116 D CA 1.210 54.836 54.000 -0.622 0.000 0.828 116 D CB -0.455 40.048 40.800 -0.495 0.000 0.963 116 D HN 0.439 nan 8.370 nan 0.000 0.450 117 L N 0.538 121.567 121.223 -0.323 0.000 2.042 117 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 117 L C 2.584 179.562 176.870 0.180 0.000 1.076 117 L CA 0.805 55.607 54.840 -0.064 0.000 0.749 117 L CB -0.315 41.630 42.059 -0.191 0.000 0.893 117 L HN 0.038 nan 8.230 nan 0.000 0.432 118 I N -0.459 120.208 120.570 0.162 0.000 2.233 118 I HA -0.239 3.930 4.170 -0.001 0.000 0.243 118 I C 2.806 179.042 176.117 0.197 0.000 1.093 118 I CA 1.053 62.532 61.300 0.298 0.000 1.380 118 I CB -0.457 37.715 38.000 0.287 0.000 1.067 118 I HN 0.188 nan 8.210 nan 0.000 0.413 119 A N 0.486 123.349 122.820 0.071 0.000 1.902 119 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 119 A C 2.241 179.976 177.584 0.251 0.000 1.181 119 A CA 1.463 53.558 52.037 0.096 0.000 0.623 119 A CB -1.115 17.885 19.000 0.000 0.000 0.818 119 A HN 0.441 nan 8.150 nan 0.000 0.443 120 Y N -1.056 119.348 120.300 0.172 0.000 2.114 120 Y HA -0.234 4.316 4.550 -0.001 0.000 0.284 120 Y C 2.822 178.840 175.900 0.197 0.000 1.143 120 Y CA 1.351 59.560 58.100 0.182 0.000 1.135 120 Y CB -0.230 38.359 38.460 0.216 0.000 0.980 120 Y HN 0.261 nan 8.280 nan 0.000 0.499 121 R N 0.717 121.450 120.500 0.388 0.000 2.081 121 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 121 R C 1.604 178.017 176.300 0.188 0.000 1.131 121 R CA 2.045 58.300 56.100 0.258 0.000 0.960 121 R CB -0.243 30.170 30.300 0.188 0.000 0.856 121 R HN 0.288 nan 8.270 nan 0.000 0.436 122 D N -0.220 120.300 120.400 0.200 0.000 2.104 122 D HA -0.120 4.519 4.640 -0.001 0.000 0.194 122 D C 1.958 178.410 176.300 0.253 0.000 0.994 122 D CA 1.573 55.687 54.000 0.189 0.000 0.830 122 D CB -0.269 40.651 40.800 0.200 0.000 0.959 122 D HN 0.151 nan 8.370 nan 0.000 0.452 123 S N 0.244 116.095 115.700 0.252 0.000 2.368 123 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 123 S C 2.202 176.926 174.600 0.207 0.000 1.030 123 S CA 0.497 58.837 58.200 0.233 0.000 0.999 123 S CB -0.156 63.161 63.200 0.195 0.000 0.844 123 S HN 0.277 nan 8.310 nan 0.000 0.459 124 I N 1.702 122.385 120.570 0.188 0.000 2.286 124 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 124 I C 1.969 178.156 176.117 0.116 0.000 1.115 124 I CA 1.076 62.465 61.300 0.148 0.000 1.392 124 I CB -0.391 37.717 38.000 0.180 0.000 1.065 124 I HN 0.182 nan 8.210 nan 0.000 0.418 125 D N -0.085 120.376 120.400 0.102 0.000 2.117 125 D HA -0.190 4.450 4.640 -0.001 0.000 0.197 125 D C 2.110 178.426 176.300 0.026 0.000 0.987 125 D CA 1.306 55.332 54.000 0.044 0.000 0.829 125 D CB -0.330 40.453 40.800 -0.030 0.000 0.961 125 D HN 0.423 nan 8.370 nan 0.000 0.460 126 H N 0.168 119.300 119.070 0.102 0.000 2.395 126 H HA 0.042 4.598 4.556 -0.001 0.000 0.299 126 H C 2.444 177.832 175.328 0.101 0.000 1.070 126 H CA 0.506 56.612 56.048 0.097 0.000 1.356 126 H CB 0.107 29.915 29.762 0.076 0.000 1.401 126 H HN 0.194 nan 8.280 nan 0.000 0.524 127 I N 0.655 121.348 120.570 0.206 0.000 2.286 127 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 127 I C 2.374 178.608 176.117 0.195 0.000 1.115 127 I CA 0.806 62.198 61.300 0.153 0.000 1.392 127 I CB -0.157 37.908 38.000 0.108 0.000 1.065 127 I HN 0.134 nan 8.210 nan 0.000 0.418 128 L N 0.341 121.647 121.223 0.137 0.000 2.093 128 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 128 L C 2.501 179.496 176.870 0.207 0.000 1.085 128 L CA 1.408 56.282 54.840 0.056 0.000 0.755 128 L CB -0.447 41.479 42.059 -0.221 0.000 0.904 128 L HN 0.191 nan 8.230 nan 0.000 0.435 129 K N -0.269 120.268 120.400 0.228 0.000 2.057 129 K HA -0.189 4.131 4.320 -0.001 0.000 0.206 129 K C 2.222 178.963 176.600 0.236 0.000 1.050 129 K CA 1.094 57.535 56.287 0.256 0.000 0.935 129 K CB -0.092 32.524 32.500 0.193 0.000 0.715 129 K HN 0.096 nan 8.250 nan 0.000 0.439 130 R N 0.329 120.960 120.500 0.217 0.000 2.075 130 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 130 R C 2.045 178.488 176.300 0.238 0.000 1.126 130 R CA 1.027 57.234 56.100 0.178 0.000 0.963 130 R CB -0.353 30.019 30.300 0.119 0.000 0.858 130 R HN 0.046 nan 8.270 nan 0.000 0.435 131 F N 1.035 121.065 119.950 0.135 0.000 2.069 131 F HA -0.084 4.442 4.527 -0.001 0.000 0.298 131 F C 2.150 178.028 175.800 0.129 0.000 1.113 131 F CA 1.291 59.397 58.000 0.177 0.000 1.214 131 F CB -1.025 38.149 39.000 0.290 0.000 0.978 131 F HN 0.171 nan 8.300 nan 0.000 0.474 132 A N -0.876 122.155 122.820 0.353 0.000 1.908 132 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 132 A C 2.246 179.884 177.584 0.089 0.000 1.181 132 A CA 2.452 54.509 52.037 0.034 0.000 0.627 132 A CB -1.412 17.652 19.000 0.107 0.000 0.818 132 A HN 0.421 nan 8.150 nan 0.000 0.445 133 T N -0.463 114.184 114.554 0.154 0.000 2.746 133 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 133 T C 1.879 176.671 174.700 0.153 0.000 1.039 133 T CA 1.483 63.661 62.100 0.131 0.000 1.142 133 T CB -0.414 68.530 68.868 0.126 0.000 0.866 133 T HN 0.163 nan 8.240 nan 0.000 0.444 134 V N 1.437 121.473 119.914 0.203 0.000 2.255 134 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 134 V C 2.391 178.650 176.094 0.276 0.000 1.051 134 V CA 1.583 64.045 62.300 0.270 0.000 1.018 134 V CB -0.564 31.410 31.823 0.252 0.000 0.641 134 V HN 0.487 nan 8.190 nan 0.000 0.445 135 I N 0.324 121.026 120.570 0.219 0.000 2.286 135 I HA -0.284 3.886 4.170 -0.001 0.000 0.248 135 I C 2.322 178.459 176.117 0.033 0.000 1.115 135 I CA 2.228 63.588 61.300 0.100 0.000 1.392 135 I CB -0.458 37.531 38.000 -0.019 0.000 1.065 135 I HN 0.449 nan 8.210 nan 0.000 0.418 136 D N 0.596 121.018 120.400 0.037 0.000 2.117 136 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 136 D C 2.361 178.696 176.300 0.057 0.000 0.987 136 D CA 1.155 55.173 54.000 0.029 0.000 0.829 136 D CB 0.171 40.993 40.800 0.035 0.000 0.961 136 D HN 0.014 nan 8.370 nan 0.000 0.460 137 R N -0.059 120.501 120.500 0.100 0.000 2.081 137 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 137 R C 2.272 178.619 176.300 0.078 0.000 1.131 137 R CA 0.497 56.677 56.100 0.132 0.000 0.960 137 R CB -1.215 29.218 30.300 0.221 0.000 0.856 137 R HN 0.329 nan 8.270 nan 0.000 0.436 138 L N 0.880 122.048 121.223 -0.093 0.000 2.093 138 L HA 0.001 4.340 4.340 -0.001 0.000 0.208 138 L C 2.104 178.962 176.870 -0.020 0.000 1.085 138 L CA 1.847 56.480 54.840 -0.345 0.000 0.755 138 L CB -0.782 40.835 42.059 -0.738 0.000 0.904 138 L HN 0.139 nan 8.230 nan 0.000 0.435 139 A N -0.581 122.247 122.820 0.014 0.000 1.930 139 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 139 A C 2.454 180.072 177.584 0.058 0.000 1.175 139 A CA 1.570 53.636 52.037 0.048 0.000 0.627 139 A CB -1.022 17.994 19.000 0.026 0.000 0.815 139 A HN 0.545 nan 8.150 nan 0.000 0.443 140 A N -0.855 122.008 122.820 0.072 0.000 1.877 140 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 140 A C 2.055 179.696 177.584 0.096 0.000 1.186 140 A CA 1.634 53.715 52.037 0.075 0.000 0.620 140 A CB -0.801 18.253 19.000 0.091 0.000 0.822 140 A HN 0.740 nan 8.150 nan 0.000 0.443 141 F N 1.524 121.476 119.950 0.003 0.000 2.095 141 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 141 F C 2.506 178.307 175.800 0.001 0.000 1.104 141 F CA 2.001 60.012 58.000 0.018 0.000 1.232 141 F CB -0.410 38.607 39.000 0.029 0.000 0.987 141 F HN 0.199 nan 8.300 nan 0.000 0.475 142 S N 1.052 116.757 115.700 0.007 0.000 2.356 142 S HA -0.163 4.306 4.470 -0.001 0.000 0.223 142 S C 2.129 176.642 174.600 -0.146 0.000 1.032 142 S CA 1.536 59.671 58.200 -0.109 0.000 1.005 142 S CB -0.645 62.566 63.200 0.019 0.000 0.867 142 S HN 0.399 nan 8.310 nan 0.000 0.449 143 L N 1.452 122.631 121.223 -0.074 0.000 2.046 143 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 143 L C 2.603 179.413 176.870 -0.100 0.000 1.077 143 L CA 1.349 56.151 54.840 -0.064 0.000 0.747 143 L CB -0.443 41.599 42.059 -0.028 0.000 0.896 143 L HN 0.297 nan 8.230 nan 0.000 0.432 144 K N 0.161 120.486 120.400 -0.124 0.000 2.152 144 K HA -0.175 4.145 4.320 -0.001 0.000 0.206 144 K C 1.011 177.499 176.600 -0.188 0.000 1.048 144 K CA 1.459 57.665 56.287 -0.134 0.000 0.933 144 K CB 0.059 32.483 32.500 -0.125 0.000 0.721 144 K HN 0.374 nan 8.250 nan 0.000 0.447 145 N N 0.948 119.469 118.700 -0.298 0.000 2.273 145 N HA -0.005 4.734 4.740 -0.001 0.000 0.231 145 N C 0.446 175.837 175.510 -0.198 0.000 1.134 145 N CA 0.065 52.943 53.050 -0.286 0.000 0.856 145 N CB 0.783 38.980 38.487 -0.483 0.000 1.068 145 N HN 0.362 nan 8.380 nan 0.000 0.510 146 K N 0.669 120.981 120.400 -0.147 0.000 2.360 146 K HA -0.084 4.236 4.320 -0.001 0.000 0.201 146 K C 0.603 177.157 176.600 -0.078 0.000 1.046 146 K CA 1.278 57.505 56.287 -0.101 0.000 0.940 146 K CB 0.088 32.546 32.500 -0.069 0.000 0.748 146 K HN 0.125 nan 8.250 nan 0.000 0.465 147 E N 0.930 121.086 120.200 -0.074 0.000 2.693 147 E HA 0.127 4.476 4.350 -0.001 0.000 0.214 147 E C -1.181 175.391 176.600 -0.048 0.000 0.990 147 E CA -0.302 56.068 56.400 -0.051 0.000 1.047 147 E CB 1.506 31.184 29.700 -0.037 0.000 1.039 147 E HN -0.028 nan 8.360 nan 0.000 0.475 148 V N 2.468 122.342 119.914 -0.066 0.000 2.353 148 V HA 0.107 4.226 4.120 -0.001 0.000 0.264 148 V C 0.344 176.412 176.094 -0.043 0.000 1.049 148 V CA -0.456 61.812 62.300 -0.054 0.000 0.896 148 V CB 0.957 32.737 31.823 -0.072 0.000 1.025 148 V HN -0.024 nan 8.190 nan 0.000 0.475 149 V N 5.057 124.956 119.914 -0.024 0.000 2.686 149 V HA 0.456 4.576 4.120 -0.001 0.000 0.295 149 V C 0.527 176.611 176.094 -0.017 0.000 1.055 149 V CA 0.480 62.769 62.300 -0.018 0.000 1.050 149 V CB 1.435 33.257 31.823 -0.001 0.000 0.984 149 V HN 0.977 nan 8.190 nan 0.000 0.482 150 T N 2.355 116.894 114.554 -0.024 0.000 2.762 150 T HA 0.526 4.876 4.350 -0.001 0.000 0.301 150 T C -0.972 173.706 174.700 -0.036 0.000 1.299 150 T CA -0.225 61.864 62.100 -0.018 0.000 1.005 150 T CB 1.811 70.681 68.868 0.003 0.000 1.377 150 T HN 0.801 nan 8.240 nan 0.000 0.504 151 V N 1.141 121.033 119.914 -0.038 0.000 2.583 151 V HA 0.866 4.986 4.120 -0.001 0.000 0.287 151 V C 0.832 176.905 176.094 -0.035 0.000 1.051 151 V CA -0.216 62.050 62.300 -0.056 0.000 1.010 151 V CB 0.519 32.300 31.823 -0.070 0.000 0.988 151 V HN 1.024 nan 8.190 nan 0.000 0.478 152 G N 4.247 113.020 108.800 -0.044 0.000 2.476 152 G HA2 0.615 4.575 3.960 -0.001 0.000 0.269 152 G HA3 0.615 4.575 3.960 -0.001 0.000 0.269 152 G C -0.325 174.576 174.900 0.001 0.000 1.195 152 G CA -0.941 44.145 45.100 -0.023 0.000 0.843 152 G HN 0.883 nan 8.290 nan 0.000 0.545 153 R N -0.087 120.434 120.500 0.036 0.000 2.574 153 R HA 0.549 4.889 4.340 -0.001 0.000 0.288 153 R C -0.762 175.573 176.300 0.059 0.000 1.004 153 R CA -0.706 55.436 56.100 0.071 0.000 0.895 153 R CB 2.281 32.671 30.300 0.150 0.000 1.191 153 R HN 0.693 nan 8.270 nan 0.000 0.444 154 T N -1.173 113.429 114.554 0.081 0.000 2.841 154 T HA 0.319 4.668 4.350 -0.001 0.000 0.283 154 T C -0.136 174.674 174.700 0.183 0.000 1.000 154 T CA -0.821 61.304 62.100 0.041 0.000 0.977 154 T CB 0.993 69.922 68.868 0.102 0.000 0.979 154 T HN 0.896 nan 8.240 nan 0.000 0.446 155 H N 0.371 119.387 119.070 -0.091 0.000 2.899 155 H HA -0.191 4.365 4.556 -0.001 0.000 0.282 155 H C -0.184 175.178 175.328 0.056 0.000 1.198 155 H CA 0.986 56.990 56.048 -0.074 0.000 1.140 155 H CB -2.874 26.884 29.762 -0.007 0.000 1.317 155 H HN 0.825 nan 8.280 nan 0.000 0.375 156 Y N -2.938 117.462 120.300 0.167 0.000 4.798 156 Y HA -0.333 4.217 4.550 -0.001 0.000 0.237 156 Y C 0.708 176.692 175.900 0.141 0.000 1.017 156 Y CA 1.182 59.405 58.100 0.206 0.000 2.010 156 Y CB -1.809 36.807 38.460 0.261 0.000 1.582 156 Y HN 0.643 nan 8.280 nan 0.000 0.621 157 Q N -0.899 119.033 119.800 0.219 0.000 2.377 157 Q HA 0.473 4.812 4.340 -0.001 0.000 0.271 157 Q C 0.252 176.270 176.000 0.030 0.000 1.077 157 Q CA -0.812 55.039 55.803 0.079 0.000 0.820 157 Q CB 1.717 30.488 28.738 0.054 0.000 1.347 157 Q HN 0.092 nan 8.270 nan 0.000 0.444 158 T N 1.434 115.964 114.554 -0.039 0.000 2.765 158 T HA 0.012 4.362 4.350 -0.001 0.000 0.275 158 T C 0.497 175.180 174.700 -0.029 0.000 1.007 158 T CA 0.794 62.864 62.100 -0.049 0.000 1.175 158 T CB 0.251 69.074 68.868 -0.076 0.000 0.993 158 T HN 0.752 nan 8.240 nan 0.000 0.510 159 A N 2.883 125.688 122.820 -0.024 0.000 2.340 159 A HA 0.571 4.891 4.320 -0.001 0.000 0.213 159 A C 1.024 178.581 177.584 -0.044 0.000 1.299 159 A CA 0.563 52.591 52.037 -0.014 0.000 0.994 159 A CB 0.520 19.532 19.000 0.021 0.000 1.132 159 A HN 0.998 nan 8.150 nan 0.000 0.519 160 S N -1.785 113.868 115.700 -0.078 0.000 0.000 160 S HA 0.546 5.016 4.470 -0.001 0.000 0.000 160 S C -1.752 172.754 174.600 -0.157 0.000 0.000 160 S CA -0.710 57.410 58.200 -0.133 0.000 0.000 160 S CB 0.056 63.209 63.200 -0.079 0.000 0.000 160 S HN 0.411 nan 8.310 nan 0.000 0.000 161 L N 1.694 122.812 121.223 -0.174 0.000 2.365 161 L HA 0.889 5.228 4.340 -0.001 0.000 0.273 161 L C -0.253 176.579 176.870 -0.064 0.000 1.000 161 L CA -0.885 53.876 54.840 -0.132 0.000 0.819 161 L CB 1.737 43.693 42.059 -0.172 0.000 1.284 161 L HN 0.874 nan 8.230 nan 0.000 0.418 162 V N -0.608 119.274 119.914 -0.054 0.000 3.105 162 V HA 0.812 4.932 4.120 -0.001 0.000 0.311 162 V C -0.244 175.819 176.094 -0.052 0.000 1.282 162 V CA -0.596 61.673 62.300 -0.051 0.000 1.065 162 V CB 1.973 33.755 31.823 -0.068 0.000 1.136 162 V HN 0.785 nan 8.190 nan 0.000 0.469 163 T N -2.556 111.956 114.554 -0.069 0.000 2.912 163 T HA 0.595 4.945 4.350 -0.001 0.000 0.288 163 T C 0.737 175.372 174.700 -0.108 0.000 1.030 163 T CA -0.027 62.028 62.100 -0.075 0.000 1.020 163 T CB 1.495 70.319 68.868 -0.074 0.000 1.056 163 T HN 0.754 nan 8.240 nan 0.000 0.480 164 V N 2.393 122.245 119.914 -0.104 0.000 2.392 164 V HA -0.059 4.060 4.120 -0.001 0.000 0.249 164 V C 2.783 178.768 176.094 -0.181 0.000 1.059 164 V CA 2.533 64.764 62.300 -0.116 0.000 1.051 164 V CB -1.324 30.444 31.823 -0.092 0.000 0.658 164 V HN 1.114 nan 8.190 nan 0.000 0.455 165 G N -0.086 108.600 108.800 -0.190 0.000 2.408 165 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 165 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 165 G C 1.568 176.370 174.900 -0.163 0.000 1.150 165 G CA 1.047 46.038 45.100 -0.181 0.000 0.776 165 G HN 0.494 nan 8.290 nan 0.000 0.542 166 K N 1.004 121.308 120.400 -0.161 0.000 2.057 166 K HA -0.022 4.298 4.320 -0.001 0.000 0.207 166 K C 2.368 178.809 176.600 -0.265 0.000 1.049 166 K CA 1.391 57.576 56.287 -0.171 0.000 0.931 166 K CB -0.425 31.995 32.500 -0.134 0.000 0.714 166 K HN 0.277 nan 8.250 nan 0.000 0.440 167 R N -0.519 119.777 120.500 -0.341 0.000 2.092 167 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 167 R C 2.199 177.963 176.300 -0.894 0.000 1.119 167 R CA 1.674 57.414 56.100 -0.601 0.000 0.970 167 R CB -0.780 29.152 30.300 -0.613 0.000 0.864 167 R HN 0.383 nan 8.270 nan 0.000 0.440 168 G N -0.085 108.379 108.800 -0.560 0.000 2.442 168 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 168 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 168 G C 1.321 176.149 174.900 -0.119 0.000 1.141 168 G CA 0.798 45.754 45.100 -0.241 0.000 0.763 168 G HN 0.250 nan 8.290 nan 0.000 0.554 169 V N 0.302 120.112 119.914 -0.173 0.000 2.871 169 V HA -0.014 4.106 4.120 -0.001 0.000 0.256 169 V C 2.564 178.469 176.094 -0.315 0.000 1.082 169 V CA 1.202 63.398 62.300 -0.173 0.000 1.105 169 V CB 0.152 31.873 31.823 -0.170 0.000 0.713 169 V HN 0.358 nan 8.190 nan 0.000 0.473 170 L N -0.665 120.372 121.223 -0.309 0.000 2.056 170 L HA -0.077 4.263 4.340 -0.001 0.000 0.207 170 L C 2.143 178.995 176.870 -0.029 0.000 1.078 170 L CA 2.058 56.753 54.840 -0.242 0.000 0.749 170 L CB -0.671 41.229 42.059 -0.264 0.000 0.901 170 L HN 0.342 nan 8.230 nan 0.000 0.433 171 W N -0.032 121.238 121.300 -0.049 0.000 2.381 171 W HA 0.001 4.660 4.660 -0.001 0.000 0.301 171 W C 2.682 179.201 176.519 0.000 0.000 1.205 171 W CA 1.166 58.508 57.345 -0.005 0.000 1.285 171 W CB -1.562 27.905 29.460 0.012 0.000 1.133 171 W HN 0.350 nan 8.180 nan 0.000 0.521 172 A N 0.254 123.200 122.820 0.209 0.000 1.940 172 A HA -0.285 4.035 4.320 -0.001 0.000 0.219 172 A C 2.047 179.755 177.584 0.207 0.000 1.176 172 A CA 2.198 54.343 52.037 0.181 0.000 0.631 172 A CB -1.040 18.081 19.000 0.202 0.000 0.814 172 A HN 0.441 nan 8.150 nan 0.000 0.446 173 Q N -0.865 118.971 119.800 0.060 0.000 2.079 173 Q HA -0.195 4.145 4.340 -0.001 0.000 0.200 173 Q C 1.820 177.901 176.000 0.134 0.000 0.974 173 Q CA 1.445 57.300 55.803 0.085 0.000 0.840 173 Q CB -0.099 28.510 28.738 -0.216 0.000 0.898 173 Q HN 0.600 nan 8.270 nan 0.000 0.430 174 E N 0.681 120.957 120.200 0.125 0.000 2.038 174 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 174 E C 2.137 178.843 176.600 0.177 0.000 1.000 174 E CA 1.097 57.580 56.400 0.137 0.000 0.803 174 E CB -0.335 29.452 29.700 0.146 0.000 0.750 174 E HN 0.439 nan 8.360 nan 0.000 0.448 175 L N 0.444 121.804 121.223 0.228 0.000 2.083 175 L HA -0.117 4.222 4.340 -0.001 0.000 0.209 175 L C 1.626 178.653 176.870 0.262 0.000 1.083 175 L CA 0.048 55.091 54.840 0.339 0.000 0.752 175 L CB -0.417 41.883 42.059 0.402 0.000 0.899 175 L HN 0.121 nan 8.230 nan 0.000 0.433 179 F N 1.994 121.709 119.950 -0.391 0.000 2.095 179 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 179 F C 2.349 177.935 175.800 -0.358 0.000 1.104 179 F CA 2.866 60.373 58.000 -0.822 0.000 1.232 179 F CB -0.133 38.209 39.000 -1.097 0.000 0.987 179 F HN 0.362 nan 8.300 nan 0.000 0.475 180 Q N -0.694 119.113 119.800 0.013 0.000 2.124 180 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 180 Q C 2.464 178.438 176.000 -0.044 0.000 0.977 180 Q CA 1.697 57.509 55.803 0.016 0.000 0.850 180 Q CB -0.477 28.317 28.738 0.094 0.000 0.901 180 Q HN 0.462 nan 8.270 nan 0.000 0.429 181 S N 0.693 116.381 115.700 -0.020 0.000 2.356 181 S HA -0.143 4.326 4.470 -0.001 0.000 0.223 181 S C 1.851 176.460 174.600 0.016 0.000 1.032 181 S CA 0.925 59.141 58.200 0.027 0.000 1.005 181 S CB -0.168 63.052 63.200 0.034 0.000 0.867 181 S HN 0.336 nan 8.310 nan 0.000 0.449 182 L N 1.488 122.666 121.223 -0.075 0.000 2.093 182 L HA 0.066 4.405 4.340 -0.001 0.000 0.208 182 L C 2.532 179.343 176.870 -0.098 0.000 1.085 182 L CA 2.244 57.050 54.840 -0.057 0.000 0.755 182 L CB -1.134 40.865 42.059 -0.099 0.000 0.904 182 L HN 0.411 nan 8.230 nan 0.000 0.435 183 S N -0.943 114.561 115.700 -0.326 0.000 2.368 183 S HA -0.250 4.220 4.470 -0.001 0.000 0.224 183 S C 2.067 176.619 174.600 -0.079 0.000 1.029 183 S CA 1.529 59.540 58.200 -0.316 0.000 0.988 183 S CB -0.325 62.590 63.200 -0.475 0.000 0.838 183 S HN 0.664 nan 8.310 nan 0.000 0.462 184 E N -0.718 119.469 120.200 -0.022 0.000 2.072 184 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 184 E C 1.851 178.473 176.600 0.036 0.000 0.985 184 E CA 1.119 57.531 56.400 0.021 0.000 0.801 184 E CB -0.351 29.380 29.700 0.050 0.000 0.750 184 E HN 0.641 nan 8.360 nan 0.000 0.452 185 F N 1.850 121.789 119.950 -0.019 0.000 2.126 185 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 185 F C 2.378 178.180 175.800 0.004 0.000 1.096 185 F CA 1.449 59.456 58.000 0.012 0.000 1.255 185 F CB -0.118 38.898 39.000 0.027 0.000 0.997 185 F HN -0.071 nan 8.300 nan 0.000 0.479 186 R N 0.983 121.452 120.500 -0.053 0.000 2.081 186 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 186 R C 1.705 177.882 176.300 -0.206 0.000 1.131 186 R CA 2.076 58.102 56.100 -0.123 0.000 0.960 186 R CB -1.080 29.213 30.300 -0.012 0.000 0.856 186 R HN 0.335 nan 8.270 nan 0.000 0.436 187 D N 0.492 120.805 120.400 -0.146 0.000 2.183 187 D HA -0.053 4.586 4.640 -0.001 0.000 0.203 187 D C 0.516 176.713 176.300 -0.172 0.000 0.969 187 D CA 0.992 54.907 54.000 -0.140 0.000 0.842 187 D CB 0.216 40.968 40.800 -0.079 0.000 0.957 187 D HN 0.248 nan 8.370 nan 0.000 0.484 191 F N 2.640 122.430 119.950 -0.267 0.000 2.418 191 F HA 0.266 4.792 4.527 -0.001 0.000 0.341 191 F C 1.708 177.450 175.800 -0.096 0.000 1.120 191 F CA 0.025 57.733 58.000 -0.486 0.000 1.232 191 F CB 0.973 39.617 39.000 -0.594 0.000 1.175 191 F HN 0.535 nan 8.300 nan 0.000 0.569 192 R N 3.183 123.379 120.500 -0.506 0.000 2.075 192 R HA 0.203 4.543 4.340 -0.001 0.000 0.226 192 R C 1.156 177.400 176.300 -0.093 0.000 1.114 192 R CA 1.155 57.176 56.100 -0.133 0.000 0.972 192 R CB -0.644 29.576 30.300 -0.133 0.000 0.869 192 R HN 1.022 nan 8.270 nan 0.000 0.437 193 G N 0.903 109.504 108.800 -0.331 0.000 2.539 193 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.256 193 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.256 193 G C -0.050 174.980 174.900 0.216 0.000 1.233 193 G CA 0.096 45.276 45.100 0.133 0.000 0.936 193 G HN 0.561 nan 8.290 nan 0.000 0.571 194 I N -1.889 118.755 120.570 0.123 0.000 2.359 194 I HA 0.851 5.020 4.170 -0.001 0.000 0.294 194 I C 0.465 176.615 176.117 0.056 0.000 0.987 194 I CA -0.808 60.489 61.300 -0.005 0.000 1.225 194 I CB 1.758 39.410 38.000 -0.580 0.000 1.366 194 I HN 0.368 nan 8.210 nan 0.000 0.466 195 K N 4.206 124.719 120.400 0.188 0.000 2.588 195 K HA 0.363 4.682 4.320 -0.001 0.000 0.216 195 K C 0.443 177.171 176.600 0.213 0.000 1.382 195 K CA 0.366 56.757 56.287 0.173 0.000 1.008 195 K CB 1.004 33.577 32.500 0.121 0.000 1.138 195 K HN 1.116 nan 8.250 nan 0.000 0.619 196 G N 1.164 110.142 108.800 0.296 0.000 2.760 196 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.246 196 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.246 196 G C 0.666 175.628 174.900 0.103 0.000 1.359 196 G CA -0.100 45.109 45.100 0.182 0.000 0.861 196 G HN 0.158 nan 8.290 nan 0.000 0.541 197 A N -1.391 121.457 122.820 0.048 0.000 2.066 197 A HA 0.368 4.688 4.320 -0.001 0.000 0.218 197 A C 2.246 179.840 177.584 0.016 0.000 1.157 197 A CA 2.958 55.009 52.037 0.024 0.000 0.670 197 A CB -0.392 18.608 19.000 -0.001 0.000 0.804 197 A HN 2.365 nan 8.150 nan 0.000 0.453 198 T N -6.614 107.953 114.554 0.023 0.000 3.058 198 T HA 0.461 4.811 4.350 -0.001 0.000 0.278 198 T C 1.153 175.866 174.700 0.022 0.000 0.974 198 T CA 0.972 63.080 62.100 0.014 0.000 0.893 198 T CB 0.495 69.368 68.868 0.009 0.000 1.138 198 T HN 1.614 nan 8.240 nan 0.000 0.529 199 G N 1.582 110.409 108.800 0.045 0.000 2.176 199 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.232 199 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.232 199 G C 0.998 175.938 174.900 0.067 0.000 0.986 199 G CA 0.845 45.977 45.100 0.054 0.000 0.643 199 G HN 1.038 nan 8.290 nan 0.000 0.522 200 T N -2.554 112.041 114.554 0.068 0.000 3.067 200 T HA 0.301 4.650 4.350 -0.001 0.000 0.257 200 T C 1.316 176.078 174.700 0.104 0.000 1.105 200 T CA 1.430 63.573 62.100 0.071 0.000 1.104 200 T CB -0.132 68.767 68.868 0.051 0.000 0.925 200 T HN 1.028 nan 8.240 nan 0.000 0.498 201 Q N 0.059 119.947 119.800 0.147 0.000 2.489 201 Q HA -0.244 4.095 4.340 -0.001 0.000 0.259 201 Q C 0.483 176.602 176.000 0.198 0.000 0.934 201 Q CA 0.807 56.760 55.803 0.250 0.000 1.131 201 Q CB -2.087 26.792 28.738 0.235 0.000 1.472 201 Q HN 0.614 nan 8.270 nan 0.000 0.560 202 D N -0.198 120.262 120.400 0.101 0.000 2.149 202 D HA -0.120 4.519 4.640 -0.001 0.000 0.198 202 D C 1.518 177.828 176.300 0.017 0.000 0.990 202 D CA 1.951 55.985 54.000 0.057 0.000 0.839 202 D CB 0.011 40.826 40.800 0.024 0.000 0.948 202 D HN 0.354 nan 8.370 nan 0.000 0.460 203 S N -0.965 114.697 115.700 -0.063 0.000 2.368 203 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 203 S C 1.694 176.157 174.600 -0.229 0.000 1.030 203 S CA 0.705 58.781 58.200 -0.206 0.000 0.999 203 S CB -0.413 62.561 63.200 -0.377 0.000 0.844 203 S HN 0.302 nan 8.310 nan 0.000 0.459 204 F N 1.082 121.032 119.950 -0.000 0.000 2.186 204 F HA 0.045 4.571 4.527 -0.001 0.000 0.299 204 F C 2.011 177.882 175.800 0.118 0.000 1.090 204 F CA 0.221 58.235 58.000 0.024 0.000 1.307 204 F CB -0.667 38.407 39.000 0.122 0.000 1.019 204 F HN 0.143 nan 8.300 nan 0.000 0.489 205 L N -0.077 121.319 121.223 0.288 0.000 2.017 205 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 205 L C 2.313 179.276 176.870 0.154 0.000 1.073 205 L CA 2.104 57.085 54.840 0.235 0.000 0.745 205 L CB -1.340 40.809 42.059 0.151 0.000 0.894 205 L HN 0.083 nan 8.230 nan 0.000 0.432 206 T N -0.319 114.273 114.554 0.063 0.000 2.788 206 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 206 T C 1.805 176.490 174.700 -0.025 0.000 1.044 206 T CA 1.530 63.636 62.100 0.011 0.000 1.139 206 T CB -0.367 68.482 68.868 -0.031 0.000 0.867 206 T HN 0.204 nan 8.240 nan 0.000 0.454 207 L N 0.124 121.293 121.223 -0.091 0.000 2.131 207 L HA 0.086 4.425 4.340 -0.001 0.000 0.210 207 L C 0.985 177.685 176.870 -0.285 0.000 1.092 207 L CA 1.570 56.265 54.840 -0.241 0.000 0.759 207 L CB -0.540 41.292 42.059 -0.379 0.000 0.903 207 L HN 0.207 nan 8.230 nan 0.000 0.435 208 F N -0.137 119.843 119.950 0.050 0.000 2.668 208 F HA 0.480 5.007 4.527 -0.001 0.000 0.297 208 F C 1.419 177.237 175.800 0.029 0.000 1.124 208 F CA -0.152 57.874 58.000 0.044 0.000 1.353 208 F CB -0.867 38.167 39.000 0.057 0.000 0.992 208 F HN 0.067 nan 8.300 nan 0.000 0.524 209 A N 0.049 122.953 122.820 0.141 0.000 2.745 209 A HA 0.025 4.345 4.320 -0.001 0.000 0.296 209 A C 1.819 179.461 177.584 0.097 0.000 1.500 209 A CA 1.087 53.180 52.037 0.092 0.000 0.766 209 A CB -1.902 17.144 19.000 0.077 0.000 1.030 209 A HN 1.521 nan 8.150 nan 0.000 0.489 210 G N -1.429 107.439 108.800 0.114 0.000 2.179 210 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 210 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 210 G C -0.026 174.925 174.900 0.085 0.000 0.977 210 G CA 0.903 46.057 45.100 0.090 0.000 0.641 210 G HN 1.579 nan 8.290 nan 0.000 0.533 211 D N 1.018 121.481 120.400 0.104 0.000 2.344 211 D HA 0.304 4.943 4.640 -0.001 0.000 0.253 211 D C 1.480 177.788 176.300 0.013 0.000 1.255 211 D CA -0.131 53.895 54.000 0.043 0.000 0.894 211 D CB 0.332 41.143 40.800 0.018 0.000 1.067 211 D HN 0.523 nan 8.370 nan 0.000 0.492 212 E N 1.406 121.610 120.200 0.008 0.000 2.150 212 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 212 E C 1.868 178.434 176.600 -0.055 0.000 0.985 212 E CA 0.878 57.278 56.400 -0.000 0.000 0.814 212 E CB 0.153 29.861 29.700 0.013 0.000 0.752 212 E HN 0.555 nan 8.360 nan 0.000 0.466 213 S N 1.324 116.979 115.700 -0.076 0.000 2.399 213 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 213 S C 1.776 176.261 174.600 -0.192 0.000 1.022 213 S CA 0.860 58.998 58.200 -0.102 0.000 0.983 213 S CB -0.135 63.016 63.200 -0.081 0.000 0.803 213 S HN 0.141 nan 8.310 nan 0.000 0.480 214 K N 0.735 120.947 120.400 -0.312 0.000 2.155 214 K HA 0.091 4.411 4.320 -0.001 0.000 0.203 214 K C 2.077 178.264 176.600 -0.688 0.000 1.052 214 K CA 1.109 57.004 56.287 -0.652 0.000 0.948 214 K CB -0.396 31.447 32.500 -1.095 0.000 0.728 214 K HN 0.271 nan 8.250 nan 0.000 0.448 215 V N 1.545 121.245 119.914 -0.358 0.000 2.307 215 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 215 V C 2.303 178.329 176.094 -0.114 0.000 1.045 215 V CA 1.929 64.172 62.300 -0.094 0.000 1.024 215 V CB -0.366 31.503 31.823 0.076 0.000 0.651 215 V HN 0.302 nan 8.190 nan 0.000 0.449 216 E N 0.830 120.969 120.200 -0.101 0.000 2.072 216 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 216 E C 2.125 178.673 176.600 -0.087 0.000 0.985 216 E CA 1.603 57.961 56.400 -0.070 0.000 0.801 216 E CB -0.491 29.179 29.700 -0.050 0.000 0.750 216 E HN 0.501 nan 8.360 nan 0.000 0.452 217 A N 0.373 123.115 122.820 -0.131 0.000 1.933 217 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 217 A C 2.178 179.702 177.584 -0.100 0.000 1.175 217 A CA 1.469 53.435 52.037 -0.118 0.000 0.628 217 A CB -0.746 18.163 19.000 -0.153 0.000 0.814 217 A HN 0.384 nan 8.150 nan 0.000 0.444 218 L N 0.156 121.301 121.223 -0.129 0.000 2.056 218 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 218 L C 1.908 178.738 176.870 -0.067 0.000 1.078 218 L CA 2.711 57.509 54.840 -0.070 0.000 0.749 218 L CB -0.638 41.399 42.059 -0.037 0.000 0.901 218 L HN 0.426 nan 8.230 nan 0.000 0.433 219 D N -0.662 119.685 120.400 -0.087 0.000 2.117 219 D HA -0.254 4.386 4.640 -0.001 0.000 0.197 219 D C 2.132 178.447 176.300 0.026 0.000 0.987 219 D CA 1.438 55.420 54.000 -0.030 0.000 0.829 219 D CB 0.029 40.814 40.800 -0.026 0.000 0.961 219 D HN 0.590 nan 8.370 nan 0.000 0.460 220 E N -0.908 119.288 120.200 -0.008 0.000 2.072 220 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 220 E C 2.081 178.663 176.600 -0.030 0.000 0.982 220 E CA 0.303 56.695 56.400 -0.013 0.000 0.803 220 E CB -0.088 29.594 29.700 -0.030 0.000 0.755 220 E HN 0.178 nan 8.360 nan 0.000 0.453 221 L N 0.635 121.840 121.223 -0.029 0.000 1.994 221 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 221 L C 2.351 179.194 176.870 -0.044 0.000 1.071 221 L CA 1.364 56.182 54.840 -0.035 0.000 0.745 221 L CB -0.671 41.382 42.059 -0.010 0.000 0.892 221 L HN 0.046 nan 8.230 nan 0.000 0.431 222 V N -0.937 118.996 119.914 0.031 0.000 2.407 222 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 222 V C 2.436 178.504 176.094 -0.044 0.000 1.055 222 V CA 2.111 64.471 62.300 0.100 0.000 1.049 222 V CB -1.029 30.987 31.823 0.322 0.000 0.662 222 V HN 0.522 nan 8.190 nan 0.000 0.455 223 T N -0.601 113.936 114.554 -0.027 0.000 2.788 223 T HA -0.245 4.104 4.350 -0.001 0.000 0.268 223 T C 1.959 176.434 174.700 -0.374 0.000 1.044 223 T CA 1.806 63.749 62.100 -0.261 0.000 1.139 223 T CB -0.176 68.679 68.868 -0.020 0.000 0.867 223 T HN 0.453 nan 8.240 nan 0.000 0.454 224 K N 0.973 121.226 120.400 -0.244 0.000 2.057 224 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 224 K C 2.230 178.606 176.600 -0.373 0.000 1.050 224 K CA 1.158 57.298 56.287 -0.245 0.000 0.935 224 K CB 0.016 32.419 32.500 -0.160 0.000 0.715 224 K HN 0.203 nan 8.250 nan 0.000 0.439 225 K N -0.177 119.920 120.400 -0.505 0.000 2.097 225 K HA -0.070 4.249 4.320 -0.001 0.000 0.205 225 K C 1.831 177.608 176.600 -1.373 0.000 1.050 225 K CA 1.142 56.902 56.287 -0.878 0.000 0.938 225 K CB -0.024 31.834 32.500 -1.070 0.000 0.718 225 K HN 0.153 nan 8.250 nan 0.000 0.442 226 A N 1.202 123.296 122.820 -1.210 0.000 2.235 226 A HA -0.067 4.252 4.320 -0.001 0.000 0.208 226 A C 0.398 177.743 177.584 -0.398 0.000 1.172 226 A CA 0.515 51.965 52.037 -0.979 0.000 0.786 226 A CB -0.427 18.061 19.000 -0.853 0.000 0.804 226 A HN 0.515 nan 8.150 nan 0.000 0.479 227 N N -2.832 115.636 118.700 -0.387 0.000 2.780 227 N HA -0.161 4.579 4.740 -0.001 0.000 0.248 227 N C -1.065 174.304 175.510 -0.234 0.000 1.102 227 N CA 0.571 53.478 53.050 -0.238 0.000 0.697 227 N CB -1.916 36.469 38.487 -0.170 0.000 1.028 227 N HN 0.345 nan 8.380 nan 0.000 0.554 228 F N -0.547 119.150 119.950 -0.421 0.000 2.469 228 F HA 0.433 4.959 4.527 -0.001 0.000 0.332 228 F C 1.579 177.235 175.800 -0.240 0.000 1.103 228 F CA -0.555 57.246 58.000 -0.331 0.000 0.979 228 F CB 1.744 40.480 39.000 -0.440 0.000 1.137 228 F HN -0.055 nan 8.300 nan 0.000 0.463 229 S N 1.438 117.087 115.700 -0.084 0.000 2.478 229 S HA 0.080 4.550 4.470 -0.001 0.000 0.222 229 S C -0.002 174.579 174.600 -0.031 0.000 1.008 229 S CA 0.203 58.358 58.200 -0.075 0.000 0.928 229 S CB -0.294 62.840 63.200 -0.109 0.000 0.781 229 S HN 0.630 nan 8.310 nan 0.000 0.518 230 N N 1.045 119.758 118.700 0.021 0.000 2.272 230 N HA 0.612 5.352 4.740 -0.001 0.000 0.305 230 N C -0.695 174.845 175.510 0.049 0.000 1.103 230 N CA -0.924 52.123 53.050 -0.004 0.000 0.791 230 N CB 1.529 39.972 38.487 -0.072 0.000 1.356 230 N HN 0.189 nan 8.380 nan 0.000 0.486 231 R N 0.156 120.643 120.500 -0.022 0.000 2.680 231 R HA 0.450 4.790 4.340 -0.001 0.000 0.269 231 R C -1.699 174.566 176.300 -0.058 0.000 1.026 231 R CA -0.734 55.376 56.100 0.018 0.000 0.889 231 R CB 0.728 31.112 30.300 0.139 0.000 1.241 231 R HN 0.238 nan 8.270 nan 0.000 0.463 232 F N 1.389 121.376 119.950 0.062 0.000 2.418 232 F HA 0.279 4.806 4.527 -0.001 0.000 0.341 232 F C 1.320 177.152 175.800 0.053 0.000 1.120 232 F CA -0.258 57.777 58.000 0.059 0.000 1.232 232 F CB 0.980 40.022 39.000 0.070 0.000 1.175 232 F HN 0.430 nan 8.300 nan 0.000 0.569 233 L N 2.092 123.474 121.223 0.265 0.000 2.467 233 L HA 0.227 4.566 4.340 -0.001 0.000 0.213 233 L C -0.064 176.895 176.870 0.149 0.000 1.053 233 L CA 0.295 55.230 54.840 0.158 0.000 0.847 233 L CB 0.262 42.385 42.059 0.106 0.000 1.075 233 L HN 0.331 nan 8.230 nan 0.000 0.479 234 I N 1.213 121.888 120.570 0.176 0.000 2.321 234 I HA 0.350 4.519 4.170 -0.001 0.000 0.291 234 I C 0.132 176.283 176.117 0.056 0.000 0.998 234 I CA 0.250 61.615 61.300 0.109 0.000 1.227 234 I CB 0.892 38.951 38.000 0.098 0.000 1.368 234 I HN 0.152 nan 8.210 nan 0.000 0.466 235 T N 1.707 116.269 114.554 0.014 0.000 2.739 235 T HA 0.732 5.082 4.350 -0.001 0.000 0.303 235 T C -0.037 174.644 174.700 -0.032 0.000 1.389 235 T CA -0.407 61.657 62.100 -0.059 0.000 1.001 235 T CB 1.707 70.534 68.868 -0.068 0.000 1.436 235 T HN 0.578 nan 8.240 nan 0.000 0.500 236 G N -0.621 108.143 108.800 -0.059 0.000 3.227 236 G HA2 0.339 4.299 3.960 -0.001 0.000 0.171 236 G HA3 0.339 4.299 3.960 -0.001 0.000 0.171 236 G C 0.679 175.562 174.900 -0.030 0.000 1.463 236 G CA 0.411 45.489 45.100 -0.038 0.000 1.016 236 G HN 0.913 nan 8.290 nan 0.000 0.594 237 Q N -0.545 119.232 119.800 -0.037 0.000 2.123 237 Q HA 0.036 4.375 4.340 -0.001 0.000 0.199 237 Q C 1.325 177.299 176.000 -0.044 0.000 0.966 237 Q CA 1.539 57.327 55.803 -0.025 0.000 0.845 237 Q CB -0.194 28.525 28.738 -0.031 0.000 0.907 237 Q HN 0.579 nan 8.270 nan 0.000 0.439 238 T N -2.230 112.262 114.554 -0.104 0.000 2.938 238 T HA 0.380 4.730 4.350 -0.001 0.000 0.285 238 T C -0.230 174.344 174.700 -0.209 0.000 1.028 238 T CA -0.935 61.062 62.100 -0.172 0.000 1.005 238 T CB 0.665 69.354 68.868 -0.298 0.000 1.157 238 T HN 0.248 nan 8.240 nan 0.000 0.550 239 Y N -0.031 120.157 120.300 -0.186 0.000 2.326 239 Y HA 0.602 5.151 4.550 -0.001 0.000 0.333 239 Y C 0.814 176.491 175.900 -0.372 0.000 1.240 239 Y CA -1.301 56.561 58.100 -0.396 0.000 1.365 239 Y CB 0.059 38.405 38.460 -0.189 0.000 1.289 239 Y HN 0.743 nan 8.280 nan 0.000 0.548 240 S N 2.580 118.005 115.700 -0.457 0.000 2.575 240 S HA -0.010 4.460 4.470 -0.001 0.000 0.295 240 S C 1.064 175.659 174.600 -0.008 0.000 1.267 240 S CA -0.657 57.414 58.200 -0.216 0.000 1.074 240 S CB 0.134 63.233 63.200 -0.168 0.000 0.829 240 S HN 0.712 nan 8.310 nan 0.000 0.497 241 R N 3.392 123.845 120.500 -0.077 0.000 2.339 241 R HA -0.017 4.323 4.340 -0.001 0.000 0.199 241 R C 2.005 178.370 176.300 0.109 0.000 1.018 241 R CA 0.695 56.793 56.100 -0.004 0.000 1.036 241 R CB -0.740 29.529 30.300 -0.052 0.000 0.899 241 R HN 0.825 nan 8.270 nan 0.000 0.473 242 Q N 0.543 120.417 119.800 0.123 0.000 2.224 242 Q HA -0.141 4.198 4.340 -0.001 0.000 0.203 242 Q C 1.877 178.025 176.000 0.246 0.000 0.970 242 Q CA 1.143 57.035 55.803 0.148 0.000 0.865 242 Q CB 0.161 28.979 28.738 0.132 0.000 0.922 242 Q HN 0.381 nan 8.270 nan 0.000 0.445 243 Q N -0.085 119.938 119.800 0.372 0.000 2.119 243 Q HA -0.169 4.171 4.340 -0.001 0.000 0.201 243 Q C 0.986 177.268 176.000 0.470 0.000 0.972 243 Q CA 1.508 57.616 55.803 0.509 0.000 0.847 243 Q CB 0.243 29.355 28.738 0.623 0.000 0.903 243 Q HN 0.414 nan 8.270 nan 0.000 0.433 244 D N -0.470 120.162 120.400 0.386 0.000 2.178 244 D HA -0.074 4.565 4.640 -0.001 0.000 0.202 244 D C 1.893 178.249 176.300 0.095 0.000 0.974 244 D CA 0.950 55.097 54.000 0.245 0.000 0.841 244 D CB -0.028 40.908 40.800 0.226 0.000 0.953 244 D HN 0.127 nan 8.370 nan 0.000 0.478 245 S N 0.525 116.292 115.700 0.111 0.000 2.368 245 S HA -0.188 4.282 4.470 -0.001 0.000 0.224 245 S C 1.878 176.519 174.600 0.068 0.000 1.029 245 S CA 0.942 59.184 58.200 0.071 0.000 0.988 245 S CB -0.105 63.134 63.200 0.066 0.000 0.838 245 S HN 0.167 nan 8.310 nan 0.000 0.462 246 Q N 1.433 121.287 119.800 0.090 0.000 2.084 246 Q HA 0.020 4.359 4.340 -0.001 0.000 0.202 246 Q C 1.974 177.802 176.000 -0.287 0.000 0.978 246 Q CA 1.256 57.101 55.803 0.071 0.000 0.844 246 Q CB -0.551 28.353 28.738 0.276 0.000 0.898 246 Q HN 0.569 nan 8.270 nan 0.000 0.426 247 L N -0.797 120.061 121.223 -0.607 0.000 1.994 247 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 247 L C 1.981 178.601 176.870 -0.416 0.000 1.071 247 L CA 1.399 55.660 54.840 -0.965 0.000 0.745 247 L CB -0.320 41.373 42.059 -0.610 0.000 0.892 247 L HN 0.157 nan 8.230 nan 0.000 0.431 248 V N -0.360 119.432 119.914 -0.204 0.000 2.407 248 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 248 V C 2.239 178.298 176.094 -0.057 0.000 1.055 248 V CA 2.044 64.279 62.300 -0.109 0.000 1.049 248 V CB -0.850 30.948 31.823 -0.042 0.000 0.662 248 V HN 0.505 nan 8.190 nan 0.000 0.455 249 F N 1.385 121.261 119.950 -0.125 0.000 2.134 249 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 249 F C 2.576 178.333 175.800 -0.073 0.000 1.097 249 F CA 1.763 59.717 58.000 -0.076 0.000 1.264 249 F CB -0.469 38.503 39.000 -0.046 0.000 1.001 249 F HN 0.065 nan 8.300 nan 0.000 0.479 250 S N 0.810 116.366 115.700 -0.239 0.000 2.370 250 S HA -0.182 4.287 4.470 -0.001 0.000 0.226 250 S C 2.128 176.580 174.600 -0.246 0.000 1.033 250 S CA 1.620 59.660 58.200 -0.267 0.000 1.011 250 S CB -0.557 62.538 63.200 -0.175 0.000 0.852 250 S HN 0.397 nan 8.310 nan 0.000 0.457 251 L N 1.522 122.619 121.223 -0.210 0.000 2.217 251 L HA -0.046 4.294 4.340 -0.001 0.000 0.211 251 L C 2.612 179.378 176.870 -0.174 0.000 1.107 251 L CA 1.174 55.924 54.840 -0.151 0.000 0.783 251 L CB -0.658 41.321 42.059 -0.133 0.000 0.919 251 L HN 0.420 nan 8.230 nan 0.000 0.442 252 S N -0.139 115.420 115.700 -0.236 0.000 2.428 252 S HA -0.096 4.374 4.470 -0.001 0.000 0.230 252 S C 1.900 176.338 174.600 -0.269 0.000 1.014 252 S CA 0.588 58.658 58.200 -0.217 0.000 0.957 252 S CB -0.433 62.665 63.200 -0.170 0.000 0.784 252 S HN 0.370 nan 8.310 nan 0.000 0.499 253 L N 0.625 121.609 121.223 -0.399 0.000 2.093 253 L HA 0.066 4.406 4.340 -0.001 0.000 0.208 253 L C 2.667 179.479 176.870 -0.097 0.000 1.085 253 L CA 1.032 55.697 54.840 -0.290 0.000 0.755 253 L CB -0.461 41.402 42.059 -0.327 0.000 0.904 253 L HN 0.367 nan 8.230 nan 0.000 0.435 254 L N -0.325 120.860 121.223 -0.062 0.000 2.056 254 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 254 L C 2.369 179.194 176.870 -0.075 0.000 1.078 254 L CA 1.738 56.572 54.840 -0.010 0.000 0.749 254 L CB -0.644 41.373 42.059 -0.070 0.000 0.901 254 L HN 0.287 nan 8.230 nan 0.000 0.433 255 G N -0.766 107.972 108.800 -0.102 0.000 2.421 255 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.216 255 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.216 255 G C 1.656 176.511 174.900 -0.074 0.000 1.171 255 G CA 0.778 45.819 45.100 -0.098 0.000 0.775 255 G HN 0.567 nan 8.290 nan 0.000 0.543 256 A N 1.235 124.016 122.820 -0.064 0.000 1.877 256 A HA 0.245 4.565 4.320 -0.001 0.000 0.216 256 A C 2.842 180.415 177.584 -0.019 0.000 1.186 256 A CA 2.415 54.430 52.037 -0.036 0.000 0.620 256 A CB -0.916 18.067 19.000 -0.028 0.000 0.822 256 A HN 0.800 nan 8.150 nan 0.000 0.443 257 A N -0.124 122.694 122.820 -0.003 0.000 1.858 257 A HA 0.129 4.449 4.320 -0.001 0.000 0.216 257 A C 2.550 180.136 177.584 0.003 0.000 1.190 257 A CA 2.365 54.422 52.037 0.033 0.000 0.617 257 A CB -1.175 17.877 19.000 0.087 0.000 0.827 257 A HN 1.129 nan 8.150 nan 0.000 0.443 258 A N -0.443 122.359 122.820 -0.030 0.000 1.902 258 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 258 A C 2.138 179.650 177.584 -0.119 0.000 1.181 258 A CA 2.134 54.121 52.037 -0.082 0.000 0.623 258 A CB -0.461 18.464 19.000 -0.125 0.000 0.818 258 A HN 0.563 nan 8.150 nan 0.000 0.443 259 K N -0.356 119.986 120.400 -0.096 0.000 2.097 259 K HA -0.160 4.160 4.320 -0.001 0.000 0.205 259 K C 2.229 178.777 176.600 -0.087 0.000 1.050 259 K CA 1.487 57.717 56.287 -0.096 0.000 0.938 259 K CB -0.076 32.382 32.500 -0.070 0.000 0.718 259 K HN 0.302 nan 8.250 nan 0.000 0.442 260 K N 0.812 121.177 120.400 -0.058 0.000 2.057 260 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 260 K C 1.869 178.405 176.600 -0.107 0.000 1.050 260 K CA 1.382 57.652 56.287 -0.028 0.000 0.935 260 K CB -0.243 32.273 32.500 0.026 0.000 0.715 260 K HN 0.056 nan 8.250 nan 0.000 0.439 261 V N 0.960 120.744 119.914 -0.217 0.000 2.295 261 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 261 V C 2.700 178.448 176.094 -0.577 0.000 1.049 261 V CA 1.806 63.751 62.300 -0.592 0.000 1.024 261 V CB -0.585 30.970 31.823 -0.447 0.000 0.648 261 V HN 0.377 nan 8.190 nan 0.000 0.447 262 c N -0.275 118.115 118.600 -0.350 0.000 2.435 262 c HA -0.123 4.446 4.570 -0.001 0.000 0.279 262 c C 2.965 176.917 174.090 -0.230 0.000 1.321 262 c CA 1.551 57.697 56.329 -0.305 0.000 1.752 262 c CB -1.228 41.132 42.510 -0.250 0.000 1.959 262 c HN 0.631 nan 8.230 nan 0.000 0.500 263 T N 0.505 114.960 114.554 -0.165 0.000 2.821 263 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 263 T C 1.310 175.966 174.700 -0.073 0.000 1.046 263 T CA 1.493 63.534 62.100 -0.098 0.000 1.139 263 T CB -0.335 68.514 68.868 -0.031 0.000 0.871 263 T HN 0.484 nan 8.240 nan 0.000 0.454 264 D N 1.057 121.423 120.400 -0.057 0.000 2.097 264 D HA 0.001 4.640 4.640 -0.001 0.000 0.195 264 D C 2.049 178.361 176.300 0.020 0.000 0.989 264 D CA 0.756 54.807 54.000 0.084 0.000 0.827 264 D CB -0.331 40.617 40.800 0.246 0.000 0.966 264 D HN 0.343 nan 8.370 nan 0.000 0.456 265 I N 0.508 120.973 120.570 -0.175 0.000 2.226 265 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 265 I C 2.436 178.492 176.117 -0.103 0.000 1.100 265 I CA 1.004 62.225 61.300 -0.131 0.000 1.374 265 I CB -0.104 37.738 38.000 -0.264 0.000 1.057 265 I HN -0.072 nan 8.210 nan 0.000 0.413 266 R N 0.041 120.453 120.500 -0.146 0.000 2.081 266 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 266 R C 2.273 178.450 176.300 -0.206 0.000 1.131 266 R CA 1.228 57.234 56.100 -0.156 0.000 0.960 266 R CB -0.418 29.788 30.300 -0.157 0.000 0.856 266 R HN 0.213 nan 8.270 nan 0.000 0.436 267 V N 1.221 120.985 119.914 -0.251 0.000 2.358 267 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 267 V C 2.219 178.000 176.094 -0.520 0.000 1.047 267 V CA 1.518 63.524 62.300 -0.489 0.000 1.035 267 V CB -0.348 31.151 31.823 -0.539 0.000 0.658 267 V HN 0.278 nan 8.190 nan 0.000 0.452 268 L N -0.418 120.726 121.223 -0.131 0.000 2.141 268 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 268 L C 2.601 179.510 176.870 0.065 0.000 1.094 268 L CA 1.686 56.591 54.840 0.108 0.000 0.763 268 L CB -0.462 41.743 42.059 0.242 0.000 0.908 268 L HN 0.394 nan 8.230 nan 0.000 0.437 269 Q N -0.110 119.678 119.800 -0.019 0.000 2.119 269 Q HA -0.181 4.158 4.340 -0.001 0.000 0.201 269 Q C 2.296 178.274 176.000 -0.036 0.000 0.972 269 Q CA 1.540 57.337 55.803 -0.009 0.000 0.847 269 Q CB -0.036 28.678 28.738 -0.039 0.000 0.903 269 Q HN 0.500 nan 8.270 nan 0.000 0.433 270 A N -0.121 122.613 122.820 -0.144 0.000 1.972 270 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 270 A C 1.495 179.054 177.584 -0.041 0.000 1.169 270 A CA 0.997 52.938 52.037 -0.159 0.000 0.635 270 A CB -0.652 18.163 19.000 -0.309 0.000 0.810 270 A HN 0.471 nan 8.150 nan 0.000 0.446 271 F N -0.516 119.423 119.950 -0.018 0.000 2.604 271 F HA 0.246 4.773 4.527 -0.001 0.000 0.298 271 F C 2.026 177.832 175.800 0.011 0.000 1.131 271 F CA 0.299 58.296 58.000 -0.004 0.000 1.457 271 F CB -0.720 38.284 39.000 0.008 0.000 1.095 271 F HN 0.394 nan 8.300 nan 0.000 0.574 272 G N -0.014 108.895 108.800 0.180 0.000 2.136 272 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.242 272 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.242 272 G C 1.132 176.105 174.900 0.123 0.000 0.989 272 G CA 0.450 45.621 45.100 0.119 0.000 0.682 272 G HN 0.407 nan 8.290 nan 0.000 0.522 273 E N -0.937 119.360 120.200 0.162 0.000 2.216 273 E HA 0.307 4.656 4.350 -0.001 0.000 0.192 273 E C 1.120 177.811 176.600 0.152 0.000 0.973 273 E CA 0.475 56.967 56.400 0.153 0.000 0.851 273 E CB 0.341 30.154 29.700 0.189 0.000 0.804 273 E HN 0.561 nan 8.360 nan 0.000 0.477 274 L N 0.589 121.902 121.223 0.149 0.000 2.309 274 L HA 0.542 4.881 4.340 -0.001 0.000 0.261 274 L C -0.800 176.125 176.870 0.092 0.000 1.021 274 L CA -0.850 54.079 54.840 0.148 0.000 0.823 274 L CB 2.063 44.231 42.059 0.183 0.000 1.366 274 L HN -0.066 nan 8.230 nan 0.000 0.423 275 L N 1.515 122.788 121.223 0.083 0.000 2.482 275 L HA 0.329 4.668 4.340 -0.001 0.000 0.269 275 L C -0.540 176.346 176.870 0.027 0.000 0.967 275 L CA -0.484 54.383 54.840 0.044 0.000 0.851 275 L CB 2.393 44.481 42.059 0.048 0.000 1.242 275 L HN 0.686 nan 8.230 nan 0.000 0.404 276 E N 4.226 124.419 120.200 -0.012 0.000 2.349 276 E HA 0.483 4.833 4.350 -0.001 0.000 0.262 276 E C -2.437 174.146 176.600 -0.028 0.000 1.088 276 E CA -1.703 54.672 56.400 -0.041 0.000 0.899 276 E CB 0.396 30.043 29.700 -0.089 0.000 1.044 276 E HN 0.218 nan 8.360 nan 0.000 0.420 292 K N 2.838 123.232 120.400 -0.011 0.000 2.293 292 K HA 0.341 4.661 4.320 -0.001 0.000 0.267 292 K C -0.846 175.738 176.600 -0.026 0.000 1.010 292 K CA -0.687 55.590 56.287 -0.016 0.000 0.875 292 K CB 1.123 33.618 32.500 -0.009 0.000 1.106 292 K HN 0.589 nan 8.250 nan 0.000 0.450 293 N N 4.001 122.681 118.700 -0.034 0.000 2.498 293 N HA 0.360 5.099 4.740 -0.001 0.000 0.287 293 N C -2.096 173.379 175.510 -0.059 0.000 1.097 293 N CA -1.190 51.831 53.050 -0.047 0.000 0.973 293 N CB 1.084 39.543 38.487 -0.047 0.000 1.153 293 N HN 0.325 nan 8.380 nan 0.000 0.472 297 S N 1.921 117.505 115.700 -0.194 0.000 2.402 297 S HA -0.109 4.360 4.470 -0.001 0.000 0.229 297 S C 1.476 175.965 174.600 -0.185 0.000 1.021 297 S CA 1.454 59.526 58.200 -0.213 0.000 0.974 297 S CB -0.081 62.997 63.200 -0.204 0.000 0.800 297 S HN 0.257 nan 8.310 nan 0.000 0.484 298 E N 0.811 120.917 120.200 -0.156 0.000 2.107 298 E HA -0.088 4.261 4.350 -0.001 0.000 0.191 298 E C 2.269 178.778 176.600 -0.151 0.000 0.982 298 E CA 0.535 56.852 56.400 -0.137 0.000 0.809 298 E CB -0.094 29.539 29.700 -0.112 0.000 0.756 298 E HN 0.313 nan 8.360 nan 0.000 0.459 299 R N 0.775 121.170 120.500 -0.174 0.000 2.120 299 R HA -0.148 4.192 4.340 -0.001 0.000 0.234 299 R C 2.457 178.616 176.300 -0.234 0.000 1.123 299 R CA 1.359 57.328 56.100 -0.218 0.000 0.975 299 R CB -0.504 29.641 30.300 -0.259 0.000 0.866 299 R HN 0.310 nan 8.270 nan 0.000 0.446 300 c N 0.034 118.498 118.600 -0.225 0.000 2.429 300 c HA -0.106 4.463 4.570 -0.001 0.000 0.277 300 c C 2.792 176.769 174.090 -0.188 0.000 1.262 300 c CA 0.901 57.094 56.329 -0.227 0.000 1.733 300 c CB -1.206 41.152 42.510 -0.254 0.000 2.010 300 c HN 0.743 nan 8.230 nan 0.000 0.483 301 C N 1.187 120.388 119.300 -0.164 0.000 2.435 301 C HA 0.090 4.549 4.460 -0.001 0.000 0.279 301 C C 3.191 178.112 174.990 -0.114 0.000 1.321 301 C CA 1.140 60.081 59.018 -0.130 0.000 1.752 301 C CB -1.651 26.021 27.740 -0.113 0.000 1.959 301 C HN 0.784 nan 8.230 nan 0.000 0.500 302 A N 0.569 123.315 122.820 -0.123 0.000 1.873 302 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 302 A C 2.110 179.629 177.584 -0.108 0.000 1.186 302 A CA 1.353 53.328 52.037 -0.104 0.000 0.616 302 A CB -0.574 18.360 19.000 -0.110 0.000 0.823 302 A HN 0.581 nan 8.150 nan 0.000 0.442 303 L N -0.477 120.656 121.223 -0.150 0.000 2.056 303 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 303 L C 2.879 179.679 176.870 -0.116 0.000 1.078 303 L CA 1.458 56.212 54.840 -0.143 0.000 0.749 303 L CB -0.475 41.466 42.059 -0.197 0.000 0.901 303 L HN 0.316 nan 8.230 nan 0.000 0.433 304 S N -0.529 115.097 115.700 -0.124 0.000 2.370 304 S HA -0.229 4.241 4.470 -0.001 0.000 0.226 304 S C 2.048 176.600 174.600 -0.080 0.000 1.033 304 S CA 1.296 59.431 58.200 -0.108 0.000 1.011 304 S CB -0.333 62.800 63.200 -0.112 0.000 0.852 304 S HN 0.324 nan 8.310 nan 0.000 0.457 305 R N 1.460 121.917 120.500 -0.071 0.000 2.105 305 R HA -0.137 4.203 4.340 -0.001 0.000 0.239 305 R C 2.305 178.581 176.300 -0.041 0.000 1.135 305 R CA 1.697 57.767 56.100 -0.050 0.000 0.967 305 R CB -0.179 30.094 30.300 -0.045 0.000 0.861 305 R HN 0.334 nan 8.270 nan 0.000 0.442 306 K N 0.446 120.819 120.400 -0.044 0.000 2.057 306 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 306 K C 2.096 178.674 176.600 -0.036 0.000 1.050 306 K CA 1.321 57.589 56.287 -0.032 0.000 0.935 306 K CB -0.075 32.408 32.500 -0.028 0.000 0.715 306 K HN 0.206 nan 8.250 nan 0.000 0.439 307 L N 0.827 122.017 121.223 -0.054 0.000 2.093 307 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 307 L C 2.346 179.186 176.870 -0.050 0.000 1.085 307 L CA 0.942 55.745 54.840 -0.062 0.000 0.755 307 L CB -0.321 41.685 42.059 -0.087 0.000 0.904 307 L HN 0.220 nan 8.230 nan 0.000 0.435 308 I N -0.164 120.380 120.570 -0.044 0.000 2.394 308 I HA -0.249 3.921 4.170 -0.001 0.000 0.251 308 I C 1.508 177.625 176.117 -0.001 0.000 1.136 308 I CA 1.170 62.455 61.300 -0.025 0.000 1.425 308 I CB -0.267 37.719 38.000 -0.023 0.000 1.079 308 I HN 0.347 nan 8.210 nan 0.000 0.425 309 N N 0.694 119.391 118.700 -0.006 0.000 2.313 309 N HA 0.167 4.906 4.740 -0.001 0.000 0.207 309 N C 1.226 176.739 175.510 0.005 0.000 1.141 309 N CA 0.373 53.425 53.050 0.003 0.000 0.830 309 N CB 0.827 39.312 38.487 -0.002 0.000 1.008 309 N HN 0.288 nan 8.380 nan 0.000 0.481 310 A N 1.210 124.033 122.820 0.005 0.000 2.035 310 A HA 0.197 4.517 4.320 -0.001 0.000 0.208 310 A C -0.528 177.068 177.584 0.021 0.000 1.206 310 A CA 0.194 52.233 52.037 0.004 0.000 0.773 310 A CB -0.679 18.312 19.000 -0.014 0.000 0.878 310 A HN 0.019 nan 8.150 nan 0.000 0.469 311 P HA -0.225 nan 4.420 nan 0.000 0.216 311 P C 1.344 178.676 177.300 0.054 0.000 1.157 311 P CA 1.570 64.722 63.100 0.087 0.000 0.880 311 P CB -0.084 31.725 31.700 0.181 0.000 0.791 312 Q N -0.969 118.856 119.800 0.041 0.000 2.226 312 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 312 Q C 2.216 178.225 176.000 0.015 0.000 0.975 312 Q CA 1.057 56.874 55.803 0.023 0.000 0.866 312 Q CB -0.281 28.468 28.738 0.019 0.000 0.915 312 Q HN 0.429 nan 8.270 nan 0.000 0.440 313 E N 0.019 120.228 120.200 0.015 0.000 2.072 313 E HA -0.140 4.209 4.350 -0.001 0.000 0.190 313 E C 1.891 178.498 176.600 0.011 0.000 0.982 313 E CA 0.748 57.154 56.400 0.010 0.000 0.803 313 E CB 0.009 29.713 29.700 0.007 0.000 0.755 313 E HN 0.344 nan 8.360 nan 0.000 0.453 314 A N 1.081 123.910 122.820 0.016 0.000 1.902 314 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 314 A C 2.166 179.762 177.584 0.021 0.000 1.181 314 A CA 1.115 53.164 52.037 0.020 0.000 0.623 314 A CB -0.679 18.336 19.000 0.025 0.000 0.818 314 A HN 0.267 nan 8.150 nan 0.000 0.443 315 L N -0.817 120.417 121.223 0.019 0.000 2.083 315 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 315 L C 2.725 179.598 176.870 0.006 0.000 1.083 315 L CA 1.707 56.553 54.840 0.011 0.000 0.752 315 L CB -0.764 41.295 42.059 0.001 0.000 0.899 315 L HN 0.336 nan 8.230 nan 0.000 0.433 316 T N -0.027 114.530 114.554 0.005 0.000 2.867 316 T HA -0.090 4.260 4.350 -0.001 0.000 0.268 316 T C 1.926 176.626 174.700 -0.000 0.000 1.057 316 T CA 1.050 63.151 62.100 0.001 0.000 1.136 316 T CB -0.133 68.736 68.868 0.002 0.000 0.874 316 T HN 0.191 nan 8.240 nan 0.000 0.466 317 I N 0.763 121.334 120.570 0.002 0.000 2.163 317 I HA -0.166 4.004 4.170 -0.001 0.000 0.243 317 I C 2.338 178.450 176.117 -0.009 0.000 1.085 317 I CA 0.974 62.273 61.300 -0.002 0.000 1.347 317 I CB -0.377 37.625 38.000 0.002 0.000 1.044 317 I HN 0.203 nan 8.210 nan 0.000 0.408 318 L N 1.484 122.705 121.223 -0.003 0.000 1.994 318 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 318 L C 2.573 179.437 176.870 -0.010 0.000 1.071 318 L CA 2.258 57.093 54.840 -0.008 0.000 0.745 318 L CB -0.979 41.085 42.059 0.007 0.000 0.892 318 L HN 0.177 nan 8.230 nan 0.000 0.431 319 A N -0.997 121.819 122.820 -0.005 0.000 2.024 319 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 319 A C 1.853 179.432 177.584 -0.009 0.000 1.164 319 A CA 1.977 54.011 52.037 -0.006 0.000 0.643 319 A CB -0.809 18.189 19.000 -0.004 0.000 0.806 319 A HN 0.600 nan 8.150 nan 0.000 0.451 320 D N -0.336 120.058 120.400 -0.010 0.000 2.349 320 D HA 0.023 4.663 4.640 -0.001 0.000 0.215 320 D C 0.318 176.609 176.300 -0.016 0.000 1.016 320 D CA 0.258 54.252 54.000 -0.011 0.000 0.870 320 D CB -0.046 40.748 40.800 -0.009 0.000 0.917 320 D HN 0.275 nan 8.370 nan 0.000 0.524 321 Q N 0.756 120.543 119.800 -0.022 0.000 2.262 321 Q HA 0.304 4.644 4.340 -0.001 0.000 0.272 321 Q C 0.428 176.413 176.000 -0.026 0.000 1.076 321 Q CA 0.063 55.848 55.803 -0.030 0.000 0.905 321 Q CB 0.947 29.658 28.738 -0.045 0.000 1.182 321 Q HN 0.062 nan 8.270 nan 0.000 0.390 322 G N 3.460 112.246 108.800 -0.023 0.000 2.320 322 G HA2 0.447 4.406 3.960 -0.001 0.000 0.300 322 G HA3 0.447 4.406 3.960 -0.001 0.000 0.300 322 G C 0.411 175.299 174.900 -0.020 0.000 1.126 322 G CA -0.364 44.725 45.100 -0.018 0.000 0.896 322 G HN 0.760 nan 8.290 nan 0.000 0.436 323 L N 0.549 121.761 121.223 -0.018 0.000 6.328 323 L HA -0.342 3.998 4.340 -0.001 0.000 0.053 323 L C 2.079 178.934 176.870 -0.024 0.000 2.032 323 L CA 1.548 56.378 54.840 -0.017 0.000 1.701 323 L CB -0.687 41.364 42.059 -0.012 0.000 2.706 323 L HN 0.518 nan 8.230 nan 0.000 1.012 324 E N 0.035 120.222 120.200 -0.022 0.000 2.338 324 E HA 0.051 4.401 4.350 -0.001 0.000 0.197 324 E C 0.190 176.767 176.600 -0.039 0.000 1.007 324 E CA 0.791 57.174 56.400 -0.027 0.000 0.849 324 E CB 0.130 29.820 29.700 -0.017 0.000 0.774 324 E HN 0.233 nan 8.360 nan 0.000 0.506 325 R N -0.683 119.796 120.500 -0.035 0.000 5.084 325 R HA 0.053 4.392 4.340 -0.001 0.000 0.244 325 R C -1.759 174.523 176.300 -0.030 0.000 0.947 325 R CA 0.054 56.129 56.100 -0.042 0.000 1.334 325 R CB -0.090 30.182 30.300 -0.047 0.000 1.209 325 R HN 0.142 nan 8.270 nan 0.000 0.675 326 T N 0.662 115.197 114.554 -0.031 0.000 2.886 326 T HA 0.436 4.786 4.350 -0.001 0.000 0.292 326 T C 0.543 175.231 174.700 -0.021 0.000 1.012 326 T CA -0.806 61.282 62.100 -0.020 0.000 0.982 326 T CB 1.671 70.529 68.868 -0.017 0.000 1.018 326 T HN 0.274 nan 8.240 nan 0.000 0.451 327 L N 2.373 123.590 121.223 -0.010 0.000 2.645 327 L HA 0.156 4.495 4.340 -0.001 0.000 0.235 327 L C 1.887 178.755 176.870 -0.002 0.000 1.150 327 L CA 0.553 55.390 54.840 -0.005 0.000 0.911 327 L CB -0.614 41.451 42.059 0.010 0.000 1.077 327 L HN 0.807 nan 8.230 nan 0.000 0.438 328 D N -1.217 119.179 120.400 -0.006 0.000 2.371 328 D HA -0.160 4.479 4.640 -0.001 0.000 0.234 328 D C 0.898 177.195 176.300 -0.004 0.000 1.049 328 D CA 0.669 54.667 54.000 -0.003 0.000 0.907 328 D CB 0.033 40.830 40.800 -0.006 0.000 0.891 328 D HN 0.466 nan 8.370 nan 0.000 0.531 329 D N 0.128 120.523 120.400 -0.008 0.000 2.380 329 D HA -0.040 4.599 4.640 -0.001 0.000 0.212 329 D C 1.589 177.894 176.300 0.008 0.000 1.021 329 D CA -0.022 53.974 54.000 -0.007 0.000 0.884 329 D CB -0.125 40.658 40.800 -0.028 0.000 1.001 329 D HN -0.041 nan 8.370 nan 0.000 0.506 330 S N 1.222 116.929 115.700 0.012 0.000 2.398 330 S HA -0.152 4.318 4.470 -0.001 0.000 0.220 330 S C 2.276 176.902 174.600 0.042 0.000 1.038 330 S CA 1.988 60.207 58.200 0.032 0.000 1.080 330 S CB -0.701 62.521 63.200 0.036 0.000 1.039 330 S HN 0.533 nan 8.310 nan 0.000 0.419 331 A N 1.201 124.041 122.820 0.033 0.000 1.948 331 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 331 A C 2.290 179.892 177.584 0.030 0.000 1.177 331 A CA 2.044 54.100 52.037 0.031 0.000 0.636 331 A CB -1.469 17.543 19.000 0.020 0.000 0.815 331 A HN 0.570 nan 8.150 nan 0.000 0.449 332 G N -0.816 107.999 108.800 0.024 0.000 2.404 332 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.215 332 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.215 332 G C 1.780 176.700 174.900 0.033 0.000 1.174 332 G CA 0.848 45.961 45.100 0.022 0.000 0.780 332 G HN 0.574 nan 8.290 nan 0.000 0.537 333 R N -0.108 120.421 120.500 0.048 0.000 2.092 333 R HA 0.092 4.431 4.340 -0.001 0.000 0.231 333 R C 1.877 178.236 176.300 0.100 0.000 1.119 333 R CA 0.232 56.379 56.100 0.077 0.000 0.970 333 R CB -0.174 30.190 30.300 0.106 0.000 0.864 333 R HN 0.231 nan 8.270 nan 0.000 0.440 337 I N 1.467 122.008 120.570 -0.049 0.000 2.142 337 I HA -0.146 4.023 4.170 -0.001 0.000 0.240 337 I C -0.720 175.321 176.117 -0.127 0.000 1.078 337 I CA 1.741 62.946 61.300 -0.159 0.000 1.343 337 I CB -1.304 36.495 38.000 -0.335 0.000 1.046 337 I HN 0.277 nan 8.210 nan 0.000 0.405 338 P HA -0.138 nan 4.420 nan 0.000 0.218 338 P C 0.987 178.284 177.300 -0.004 0.000 1.148 338 P CA 1.407 64.518 63.100 0.019 0.000 0.822 338 P CB -0.025 31.715 31.700 0.068 0.000 0.784 339 D N -0.848 119.547 120.400 -0.007 0.000 2.117 339 D HA -0.115 4.525 4.640 -0.001 0.000 0.198 339 D C 1.975 178.262 176.300 -0.021 0.000 0.982 339 D CA 1.430 55.427 54.000 -0.005 0.000 0.828 339 D CB -0.620 40.183 40.800 0.005 0.000 0.967 339 D HN 0.096 nan 8.370 nan 0.000 0.464 340 V N -0.687 119.200 119.914 -0.044 0.000 2.453 340 V HA -0.138 3.981 4.120 -0.001 0.000 0.247 340 V C 2.567 178.623 176.094 -0.064 0.000 1.048 340 V CA 0.930 63.194 62.300 -0.060 0.000 1.049 340 V CB -1.013 30.761 31.823 -0.081 0.000 0.672 340 V HN 0.068 nan 8.190 nan 0.000 0.457 341 L N -0.390 120.794 121.223 -0.065 0.000 2.012 341 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 341 L C 2.714 179.571 176.870 -0.021 0.000 1.073 341 L CA 1.898 56.713 54.840 -0.042 0.000 0.748 341 L CB -0.556 41.490 42.059 -0.022 0.000 0.891 341 L HN 0.293 nan 8.230 nan 0.000 0.431 342 L N -1.139 120.076 121.223 -0.014 0.000 2.056 342 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 342 L C 2.615 179.479 176.870 -0.010 0.000 1.078 342 L CA 1.367 56.204 54.840 -0.005 0.000 0.749 342 L CB -0.829 41.232 42.059 0.002 0.000 0.901 342 L HN 0.236 nan 8.230 nan 0.000 0.433 343 T N -0.030 114.514 114.554 -0.017 0.000 2.746 343 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 343 T C 2.007 176.662 174.700 -0.073 0.000 1.039 343 T CA 1.357 63.438 62.100 -0.032 0.000 1.142 343 T CB -0.247 68.599 68.868 -0.036 0.000 0.866 343 T HN 0.446 nan 8.240 nan 0.000 0.444 344 A N 1.379 124.151 122.820 -0.080 0.000 1.933 344 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 344 A C 2.328 179.840 177.584 -0.120 0.000 1.175 344 A CA 1.464 53.431 52.037 -0.117 0.000 0.628 344 A CB -0.440 18.497 19.000 -0.105 0.000 0.814 344 A HN 0.391 nan 8.150 nan 0.000 0.444 345 E N 0.385 120.542 120.200 -0.070 0.000 2.072 345 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 345 E C 2.212 178.772 176.600 -0.067 0.000 0.985 345 E CA 1.245 57.614 56.400 -0.052 0.000 0.801 345 E CB -0.318 29.372 29.700 -0.016 0.000 0.750 345 E HN 0.457 nan 8.360 nan 0.000 0.452 346 A N 1.314 124.099 122.820 -0.059 0.000 1.933 346 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 346 A C 2.234 179.732 177.584 -0.144 0.000 1.175 346 A CA 1.396 53.391 52.037 -0.071 0.000 0.628 346 A CB -0.634 18.346 19.000 -0.032 0.000 0.814 346 A HN 0.338 nan 8.150 nan 0.000 0.444 347 L N -0.199 120.925 121.223 -0.165 0.000 2.017 347 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 347 L C 2.230 178.968 176.870 -0.221 0.000 1.073 347 L CA 1.736 56.452 54.840 -0.207 0.000 0.745 347 L CB -0.552 41.383 42.059 -0.206 0.000 0.894 347 L HN 0.386 nan 8.230 nan 0.000 0.432 348 L N -1.120 119.976 121.223 -0.212 0.000 2.083 348 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 348 L C 2.367 179.151 176.870 -0.143 0.000 1.083 348 L CA 1.618 56.333 54.840 -0.208 0.000 0.752 348 L CB -0.994 40.942 42.059 -0.205 0.000 0.899 348 L HN 0.285 nan 8.230 nan 0.000 0.433 349 T N -1.045 113.440 114.554 -0.115 0.000 2.746 349 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 349 T C 1.891 176.514 174.700 -0.128 0.000 1.039 349 T CA 1.918 63.965 62.100 -0.088 0.000 1.142 349 T CB -0.169 68.661 68.868 -0.063 0.000 0.866 349 T HN 0.378 nan 8.240 nan 0.000 0.444 350 T N 2.346 116.795 114.554 -0.174 0.000 2.737 350 T HA 0.083 4.433 4.350 -0.001 0.000 0.265 350 T C 2.007 176.528 174.700 -0.298 0.000 1.038 350 T CA 0.774 62.744 62.100 -0.218 0.000 1.144 350 T CB -0.436 68.286 68.868 -0.244 0.000 0.866 350 T HN 0.237 nan 8.240 nan 0.000 0.434 351 L N 0.862 121.875 121.223 -0.349 0.000 2.042 351 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 351 L C 2.969 179.510 176.870 -0.547 0.000 1.076 351 L CA 1.443 55.937 54.840 -0.576 0.000 0.749 351 L CB -0.561 41.233 42.059 -0.442 0.000 0.893 351 L HN 0.341 nan 8.230 nan 0.000 0.432 352 Q N 0.245 119.910 119.800 -0.226 0.000 2.050 352 Q HA -0.248 4.092 4.340 -0.001 0.000 0.202 352 Q C 1.959 177.907 176.000 -0.087 0.000 0.980 352 Q CA 2.079 57.841 55.803 -0.068 0.000 0.840 352 Q CB 0.047 28.779 28.738 -0.010 0.000 0.898 352 Q HN 0.474 nan 8.270 nan 0.000 0.424 353 N N 0.077 118.698 118.700 -0.132 0.000 2.069 353 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 353 N C 1.706 177.135 175.510 -0.135 0.000 1.031 353 N CA 1.491 54.477 53.050 -0.106 0.000 0.852 353 N CB -0.117 38.303 38.487 -0.113 0.000 1.018 353 N HN 0.236 nan 8.380 nan 0.000 0.423 354 I N -0.338 120.073 120.570 -0.266 0.000 2.127 354 I HA -0.277 3.893 4.170 -0.001 0.000 0.241 354 I C 1.273 177.279 176.117 -0.184 0.000 1.075 354 I CA 1.094 62.207 61.300 -0.312 0.000 1.334 354 I CB -0.312 37.359 38.000 -0.549 0.000 1.040 354 I HN 0.098 nan 8.210 nan 0.000 0.405 355 F N 1.031 120.912 119.950 -0.115 0.000 2.365 355 F HA -0.101 4.425 4.527 -0.001 0.000 0.300 355 F C 2.425 178.209 175.800 -0.026 0.000 1.090 355 F CA 0.765 58.700 58.000 -0.109 0.000 1.408 355 F CB -0.962 38.005 39.000 -0.054 0.000 1.060 355 F HN 0.162 nan 8.300 nan 0.000 0.534 356 E N -0.613 119.676 120.200 0.149 0.000 2.152 356 E HA -0.030 4.319 4.350 -0.001 0.000 0.192 356 E C 2.158 178.821 176.600 0.104 0.000 0.983 356 E CA 0.992 57.464 56.400 0.120 0.000 0.818 356 E CB -0.300 29.445 29.700 0.074 0.000 0.758 356 E HN 0.403 nan 8.360 nan 0.000 0.467 357 G N 0.617 109.459 108.800 0.071 0.000 3.377 357 G HA2 0.126 4.085 3.960 -0.001 0.000 0.257 357 G HA3 0.126 4.085 3.960 -0.001 0.000 0.257 357 G C 0.032 174.977 174.900 0.076 0.000 1.038 357 G CA -0.449 44.692 45.100 0.068 0.000 0.809 357 G HN -0.010 nan 8.290 nan 0.000 0.526 358 L N 3.223 124.486 121.223 0.067 0.000 2.499 358 L HA 0.497 4.836 4.340 -0.001 0.000 0.273 358 L C 0.374 177.372 176.870 0.213 0.000 1.195 358 L CA -0.143 54.719 54.840 0.037 0.000 0.882 358 L CB 0.740 42.683 42.059 -0.192 0.000 1.133 358 L HN 0.159 nan 8.230 nan 0.000 0.483 359 S N 3.399 119.228 115.700 0.214 0.000 2.627 359 S HA 0.807 5.277 4.470 -0.001 0.000 0.283 359 S C -0.830 173.922 174.600 0.252 0.000 1.127 359 S CA -0.997 57.362 58.200 0.265 0.000 0.863 359 S CB 1.544 64.838 63.200 0.156 0.000 1.121 359 S HN 0.406 nan 8.310 nan 0.000 0.479 360 V N 2.137 122.181 119.914 0.216 0.000 2.472 360 V HA 0.398 4.517 4.120 -0.001 0.000 0.290 360 V C -0.177 175.982 176.094 0.108 0.000 1.037 360 V CA -0.625 61.776 62.300 0.168 0.000 0.908 360 V CB 1.521 33.419 31.823 0.126 0.000 0.985 360 V HN 0.873 nan 8.190 nan 0.000 0.454 361 Q N 2.814 122.673 119.800 0.099 0.000 2.678 361 Q HA 0.098 4.438 4.340 -0.001 0.000 0.222 361 Q C 1.570 177.606 176.000 0.060 0.000 1.281 361 Q CA 0.160 56.006 55.803 0.072 0.000 0.994 361 Q CB 0.631 29.412 28.738 0.071 0.000 1.452 361 Q HN 1.080 nan 8.270 nan 0.000 0.570 362 T N -1.853 112.731 114.554 0.049 0.000 2.778 362 T HA -0.204 4.145 4.350 -0.001 0.000 0.269 362 T C 1.014 175.731 174.700 0.029 0.000 1.050 362 T CA 1.492 63.613 62.100 0.035 0.000 1.137 362 T CB 0.181 69.064 68.868 0.025 0.000 0.860 362 T HN 0.283 nan 8.240 nan 0.000 0.468 363 D N 1.587 122.005 120.400 0.030 0.000 2.097 363 D HA -0.061 4.579 4.640 -0.001 0.000 0.197 363 D C 2.201 178.517 176.300 0.026 0.000 0.984 363 D CA 1.000 55.014 54.000 0.025 0.000 0.826 363 D CB -0.346 40.468 40.800 0.024 0.000 0.973 363 D HN 0.372 nan 8.370 nan 0.000 0.460 364 N N 0.610 119.330 118.700 0.034 0.000 2.142 364 N HA -0.101 4.638 4.740 -0.001 0.000 0.186 364 N C 2.122 177.652 175.510 0.033 0.000 1.023 364 N CA 0.440 53.512 53.050 0.037 0.000 0.852 364 N CB -0.477 38.041 38.487 0.051 0.000 0.998 364 N HN 0.066 nan 8.380 nan 0.000 0.424 365 V N 1.690 121.627 119.914 0.038 0.000 2.295 365 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 365 V C 2.474 178.578 176.094 0.015 0.000 1.049 365 V CA 1.498 63.817 62.300 0.031 0.000 1.024 365 V CB -0.464 31.382 31.823 0.039 0.000 0.648 365 V HN 0.339 nan 8.190 nan 0.000 0.447 366 K N 0.351 120.761 120.400 0.015 0.000 2.063 366 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 366 K C 2.303 178.908 176.600 0.008 0.000 1.048 366 K CA 1.972 58.264 56.287 0.010 0.000 0.928 366 K CB -0.163 32.344 32.500 0.011 0.000 0.713 366 K HN 0.408 nan 8.250 nan 0.000 0.442 367 K N 0.696 121.102 120.400 0.010 0.000 2.057 367 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 367 K C 2.053 178.655 176.600 0.003 0.000 1.050 367 K CA 1.256 57.548 56.287 0.008 0.000 0.935 367 K CB -0.060 32.447 32.500 0.012 0.000 0.715 367 K HN 0.155 nan 8.250 nan 0.000 0.439 368 I N 0.817 121.385 120.570 -0.002 0.000 2.226 368 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 368 I C 2.174 178.279 176.117 -0.019 0.000 1.100 368 I CA 0.846 62.134 61.300 -0.020 0.000 1.374 368 I CB -0.116 37.863 38.000 -0.036 0.000 1.057 368 I HN 0.002 nan 8.210 nan 0.000 0.413 369 V N 0.806 120.711 119.914 -0.015 0.000 2.343 369 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 369 V C 2.325 178.414 176.094 -0.008 0.000 1.051 369 V CA 1.882 64.170 62.300 -0.020 0.000 1.036 369 V CB -0.637 31.178 31.823 -0.014 0.000 0.654 369 V HN 0.449 nan 8.190 nan 0.000 0.451 370 E N -0.187 120.013 120.200 0.001 0.000 2.153 370 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 370 E C 1.768 178.376 176.600 0.014 0.000 0.988 370 E CA 1.300 57.702 56.400 0.004 0.000 0.811 370 E CB -0.193 29.509 29.700 0.003 0.000 0.746 370 E HN 0.595 nan 8.360 nan 0.000 0.466 371 D N 0.398 120.815 120.400 0.029 0.000 2.312 371 D HA -0.084 4.556 4.640 -0.001 0.000 0.211 371 D C 1.439 177.827 176.300 0.147 0.000 0.964 371 D CA 0.783 54.825 54.000 0.070 0.000 0.877 371 D CB 0.164 40.994 40.800 0.050 0.000 0.924 371 D HN 0.218 nan 8.370 nan 0.000 0.515 372 E N -0.145 120.115 120.200 0.100 0.000 2.434 372 E HA 0.103 4.453 4.350 -0.001 0.000 0.207 372 E C 2.092 178.754 176.600 0.104 0.000 0.929 372 E CA -0.237 56.257 56.400 0.156 0.000 1.001 372 E CB 0.462 30.182 29.700 0.033 0.000 1.016 372 E HN 0.245 nan 8.360 nan 0.000 0.502 373 I N 1.635 122.208 120.570 0.006 0.000 2.454 373 I HA -0.246 3.924 4.170 -0.001 0.000 0.254 373 I C 2.174 178.275 176.117 -0.026 0.000 1.156 373 I CA 0.892 62.172 61.300 -0.034 0.000 1.433 373 I CB 0.103 38.107 38.000 0.007 0.000 1.082 373 I HN -0.017 nan 8.210 nan 0.000 0.432 374 A N 0.707 123.442 122.820 -0.142 0.000 1.873 374 A HA -0.195 4.125 4.320 -0.001 0.000 0.215 374 A C 1.914 179.306 177.584 -0.320 0.000 1.186 374 A CA 1.566 53.418 52.037 -0.310 0.000 0.616 374 A CB -1.043 17.608 19.000 -0.582 0.000 0.823 374 A HN 0.435 nan 8.150 nan 0.000 0.442 375 F N 0.138 120.082 119.950 -0.010 0.000 2.146 375 F HA -0.053 4.473 4.527 -0.001 0.000 0.298 375 F C 2.077 177.877 175.800 0.001 0.000 1.096 375 F CA 1.016 59.012 58.000 -0.007 0.000 1.275 375 F CB -0.681 38.306 39.000 -0.022 0.000 1.008 375 F HN 0.068 nan 8.300 nan 0.000 0.480 376 L N -0.274 121.014 121.223 0.109 0.000 2.131 376 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 376 L C 2.711 179.702 176.870 0.202 0.000 1.092 376 L CA 1.269 56.094 54.840 -0.025 0.000 0.759 376 L CB -1.302 40.513 42.059 -0.407 0.000 0.903 376 L HN 0.291 nan 8.230 nan 0.000 0.435 377 G N 0.018 108.980 108.800 0.270 0.000 2.402 377 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 377 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 377 G C 1.621 176.623 174.900 0.169 0.000 1.162 377 G CA 0.350 45.661 45.100 0.352 0.000 0.777 377 G HN 0.207 nan 8.290 nan 0.000 0.539 378 L N 0.184 121.462 121.223 0.092 0.000 2.046 378 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 378 L C 2.778 179.742 176.870 0.157 0.000 1.077 378 L CA 1.583 56.475 54.840 0.086 0.000 0.747 378 L CB -0.332 41.775 42.059 0.080 0.000 0.896 378 L HN 0.263 nan 8.230 nan 0.000 0.432 379 E N 0.701 121.000 120.200 0.165 0.000 2.110 379 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 379 E C 2.028 178.722 176.600 0.157 0.000 0.988 379 E CA 1.372 57.863 56.400 0.151 0.000 0.804 379 E CB 0.030 29.805 29.700 0.126 0.000 0.745 379 E HN 0.098 nan 8.360 nan 0.000 0.458 380 K N 0.640 121.161 120.400 0.201 0.000 2.057 380 K HA 0.086 4.406 4.320 -0.001 0.000 0.207 380 K C 0.672 177.333 176.600 0.102 0.000 1.049 380 K CA 1.018 57.412 56.287 0.178 0.000 0.931 380 K CB -0.739 31.898 32.500 0.228 0.000 0.714 380 K HN 0.210 nan 8.250 nan 0.000 0.440 423 D N 1.291 121.859 120.400 0.280 0.000 2.278 423 D HA 0.203 4.843 4.640 -0.001 0.000 0.228 423 D C -1.268 175.117 176.300 0.141 0.000 1.020 423 D CA 1.152 55.300 54.000 0.247 0.000 0.922 423 D CB -0.552 40.461 40.800 0.354 0.000 1.051 423 D HN 0.503 nan 8.370 nan 0.000 0.452 424 P HA 0.242 nan 4.420 nan 0.000 0.275 424 P C -0.596 176.821 177.300 0.195 0.000 1.228 424 P CA -0.050 63.138 63.100 0.147 0.000 0.786 424 P CB 0.843 32.594 31.700 0.086 0.000 0.927 425 F N -0.087 119.815 119.950 -0.080 0.000 2.510 425 F HA 0.062 4.588 4.527 -0.001 0.000 0.460 425 F C -0.054 175.493 175.800 -0.422 0.000 0.883 425 F CA 0.005 57.821 58.000 -0.308 0.000 0.631 425 F CB -0.672 38.023 39.000 -0.509 0.000 1.433 425 F HN 0.170 nan 8.300 nan 0.000 0.496 426 F N 1.274 121.168 119.950 -0.094 0.000 2.678 426 F HA 0.289 4.816 4.527 -0.001 0.000 0.305 426 F C 1.793 177.528 175.800 -0.108 0.000 1.090 426 F CA 0.115 58.011 58.000 -0.173 0.000 1.272 426 F CB -0.257 38.709 39.000 -0.056 0.000 1.060 426 F HN -0.106 nan 8.300 nan 0.000 0.576 427 D N 0.541 120.980 120.400 0.065 0.000 2.239 427 D HA -0.171 4.469 4.640 -0.001 0.000 0.202 427 D C 2.090 178.388 176.300 -0.003 0.000 0.993 427 D CA 1.873 55.895 54.000 0.037 0.000 0.874 427 D CB 0.045 40.860 40.800 0.025 0.000 0.922 427 D HN 0.349 nan 8.370 nan 0.000 0.464 428 S N -0.686 114.987 115.700 -0.045 0.000 2.575 428 S HA 0.061 4.531 4.470 -0.001 0.000 0.215 428 S C 1.391 175.964 174.600 -0.045 0.000 0.966 428 S CA 0.231 58.399 58.200 -0.053 0.000 0.911 428 S CB 0.576 63.727 63.200 -0.082 0.000 0.780 428 S HN 0.152 nan 8.310 nan 0.000 0.514 429 V N -2.964 116.937 119.914 -0.021 0.000 3.509 429 V HA 0.464 4.583 4.120 -0.001 0.000 0.286 429 V C 1.635 177.732 176.094 0.006 0.000 1.618 429 V CA -0.047 62.245 62.300 -0.013 0.000 1.088 429 V CB -0.471 31.345 31.823 -0.012 0.000 0.909 429 V HN 0.290 nan 8.190 nan 0.000 0.429 430 R N 1.279 121.797 120.500 0.029 0.000 2.070 430 R HA -0.141 4.199 4.340 -0.001 0.000 0.233 430 R C 1.873 178.154 176.300 -0.032 0.000 1.137 430 R CA 2.559 58.663 56.100 0.007 0.000 0.945 430 R CB -0.260 30.058 30.300 0.030 0.000 0.845 430 R HN 0.573 nan 8.270 nan 0.000 0.430 431 D N -0.081 120.303 120.400 -0.028 0.000 2.123 431 D HA -0.197 4.443 4.640 -0.001 0.000 0.196 431 D C 1.967 178.232 176.300 -0.058 0.000 0.992 431 D CA 1.080 55.056 54.000 -0.040 0.000 0.833 431 D CB -0.237 40.544 40.800 -0.031 0.000 0.954 431 D HN 0.279 nan 8.370 nan 0.000 0.455 432 R N 0.654 121.116 120.500 -0.064 0.000 2.073 432 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 432 R C 2.292 178.513 176.300 -0.132 0.000 1.134 432 R CA 0.912 56.958 56.100 -0.090 0.000 0.952 432 R CB -0.169 30.081 30.300 -0.084 0.000 0.850 432 R HN -0.002 nan 8.270 nan 0.000 0.433 433 V N 0.039 119.880 119.914 -0.121 0.000 2.358 433 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 433 V C 2.313 178.327 176.094 -0.133 0.000 1.047 433 V CA 1.517 63.725 62.300 -0.154 0.000 1.035 433 V CB -0.166 31.596 31.823 -0.100 0.000 0.658 433 V HN 0.193 nan 8.190 nan 0.000 0.452 434 V N 1.006 120.863 119.914 -0.096 0.000 2.392 434 V HA -0.230 3.890 4.120 -0.001 0.000 0.249 434 V C 2.602 178.652 176.094 -0.074 0.000 1.059 434 V CA 2.241 64.496 62.300 -0.075 0.000 1.051 434 V CB -1.359 30.427 31.823 -0.061 0.000 0.658 434 V HN 0.630 nan 8.190 nan 0.000 0.455 435 G N -0.525 108.222 108.800 -0.088 0.000 2.422 435 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 435 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 435 G C 1.563 176.402 174.900 -0.103 0.000 1.146 435 G CA 0.793 45.843 45.100 -0.084 0.000 0.769 435 G HN 0.481 nan 8.290 nan 0.000 0.547 436 L N 0.245 121.360 121.223 -0.179 0.000 2.056 436 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 436 L C 2.912 179.748 176.870 -0.057 0.000 1.078 436 L CA 0.362 55.046 54.840 -0.260 0.000 0.749 436 L CB -0.392 41.224 42.059 -0.738 0.000 0.901 436 L HN 0.072 nan 8.230 nan 0.000 0.433 437 V N -0.052 119.852 119.914 -0.018 0.000 2.626 437 V HA -0.236 3.884 4.120 -0.001 0.000 0.252 437 V C 1.665 177.777 176.094 0.031 0.000 1.067 437 V CA 1.847 64.186 62.300 0.065 0.000 1.081 437 V CB -0.757 31.082 31.823 0.026 0.000 0.686 437 V HN 0.519 nan 8.190 nan 0.000 0.468 438 N N 0.178 118.877 118.700 -0.002 0.000 2.422 438 N HA 0.048 4.787 4.740 -0.001 0.000 0.181 438 N C 0.207 175.718 175.510 0.002 0.000 1.080 438 N CA 0.200 53.247 53.050 -0.005 0.000 0.893 438 N CB 0.207 38.683 38.487 -0.018 0.000 0.973 438 N HN 0.424 nan 8.380 nan 0.000 0.456 439 N N 0.202 118.906 118.700 0.007 0.000 2.726 439 N HA 0.133 4.873 4.740 -0.001 0.000 0.253 439 N C -2.339 173.198 175.510 0.046 0.000 1.530 439 N CA -0.836 52.220 53.050 0.011 0.000 0.772 439 N CB 1.747 40.227 38.487 -0.012 0.000 1.220 439 N HN -0.049 nan 8.380 nan 0.000 0.508 440 P HA -0.161 nan 4.420 nan 0.000 0.218 440 P C 1.676 179.060 177.300 0.141 0.000 1.152 440 P CA 0.664 63.857 63.100 0.154 0.000 0.857 440 P CB 0.463 32.217 31.700 0.091 0.000 0.787 441 I N -0.454 120.157 120.570 0.070 0.000 2.399 441 I HA -0.233 3.936 4.170 -0.001 0.000 0.254 441 I C 1.263 177.415 176.117 0.057 0.000 1.146 441 I CA 1.713 63.041 61.300 0.048 0.000 1.412 441 I CB -0.622 37.389 38.000 0.017 0.000 1.076 441 I HN -0.092 nan 8.210 nan 0.000 0.432 442 N N -0.639 118.090 118.700 0.048 0.000 2.461 442 N HA -0.037 4.702 4.740 -0.001 0.000 0.188 442 N C 1.329 176.865 175.510 0.043 0.000 1.134 442 N CA 0.643 53.701 53.050 0.012 0.000 0.878 442 N CB -0.213 38.246 38.487 -0.046 0.000 0.972 442 N HN 0.454 nan 8.380 nan 0.000 0.456 443 F N 0.606 120.546 119.950 -0.017 0.000 2.727 443 F HA 0.031 4.557 4.527 -0.001 0.000 0.302 443 F C 1.473 177.265 175.800 -0.014 0.000 1.097 443 F CA 0.117 58.108 58.000 -0.013 0.000 1.330 443 F CB 0.558 39.550 39.000 -0.013 0.000 1.084 443 F HN -0.027 nan 8.300 nan 0.000 0.578 444 T N -2.340 112.324 114.554 0.182 0.000 3.244 444 T HA 0.425 4.775 4.350 -0.001 0.000 0.254 444 T C 1.340 176.074 174.700 0.056 0.000 1.024 444 T CA 0.295 62.446 62.100 0.085 0.000 0.920 444 T CB -0.278 68.613 68.868 0.037 0.000 1.042 444 T HN 0.365 nan 8.240 nan 0.000 0.572 445 G N 3.064 111.907 108.800 0.072 0.000 2.634 445 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.309 445 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.309 445 G C 0.556 175.467 174.900 0.019 0.000 1.265 445 G CA 0.278 45.402 45.100 0.041 0.000 0.998 445 G HN 0.600 nan 8.290 nan 0.000 0.551 446 R N -0.362 120.144 120.500 0.009 0.000 2.480 446 R HA 0.334 4.674 4.340 -0.001 0.000 0.277 446 R C 2.152 178.448 176.300 -0.007 0.000 1.008 446 R CA 0.281 56.382 56.100 0.002 0.000 1.090 446 R CB -0.531 29.771 30.300 0.002 0.000 1.234 446 R HN 0.449 nan 8.270 nan 0.000 0.549 447 C N 0.164 119.457 119.300 -0.012 0.000 2.385 447 C HA -0.170 4.289 4.460 -0.001 0.000 0.275 447 C C 2.612 177.586 174.990 -0.028 0.000 1.207 447 C CA 0.945 59.946 59.018 -0.029 0.000 1.760 447 C CB -0.534 27.184 27.740 -0.036 0.000 2.051 447 C HN 0.336 nan 8.230 nan 0.000 0.467 448 V N 1.699 121.601 119.914 -0.020 0.000 2.261 448 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 448 V C 2.601 178.690 176.094 -0.008 0.000 1.047 448 V CA 2.620 64.909 62.300 -0.018 0.000 1.015 448 V CB -1.106 30.707 31.823 -0.016 0.000 0.642 448 V HN 0.770 nan 8.190 nan 0.000 0.446 449 S N -0.274 115.425 115.700 -0.002 0.000 2.383 449 S HA -0.283 4.186 4.470 -0.001 0.000 0.227 449 S C 1.908 176.519 174.600 0.018 0.000 1.026 449 S CA 1.591 59.795 58.200 0.006 0.000 0.981 449 S CB -0.529 62.674 63.200 0.005 0.000 0.818 449 S HN 0.689 nan 8.310 nan 0.000 0.472 450 Q N 0.802 120.610 119.800 0.014 0.000 2.050 450 Q HA -0.082 4.258 4.340 -0.001 0.000 0.202 450 Q C 2.398 178.432 176.000 0.055 0.000 0.980 450 Q CA 1.933 57.752 55.803 0.026 0.000 0.840 450 Q CB -0.716 28.017 28.738 -0.007 0.000 0.898 450 Q HN 0.631 nan 8.270 nan 0.000 0.424 451 T N 1.156 115.724 114.554 0.024 0.000 2.684 451 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 451 T C 1.529 176.279 174.700 0.084 0.000 1.036 451 T CA 1.587 63.712 62.100 0.041 0.000 1.148 451 T CB -0.174 68.687 68.868 -0.012 0.000 0.863 451 T HN 0.357 nan 8.240 nan 0.000 0.436 452 E N 1.275 121.502 120.200 0.045 0.000 2.046 452 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 452 E C 2.685 179.308 176.600 0.038 0.000 0.982 452 E CA 1.405 57.824 56.400 0.032 0.000 0.800 452 E CB -0.174 29.532 29.700 0.010 0.000 0.756 452 E HN 0.568 nan 8.360 nan 0.000 0.449 453 S N 1.041 116.771 115.700 0.049 0.000 2.382 453 S HA -0.192 4.277 4.470 -0.001 0.000 0.228 453 S C 1.943 176.574 174.600 0.052 0.000 1.027 453 S CA 0.763 58.987 58.200 0.039 0.000 0.991 453 S CB -0.565 62.661 63.200 0.042 0.000 0.823 453 S HN 0.301 nan 8.310 nan 0.000 0.469 454 F N 2.586 122.523 119.950 -0.020 0.000 2.102 454 F HA 0.029 4.556 4.527 -0.001 0.000 0.298 454 F C 1.951 177.737 175.800 -0.023 0.000 1.105 454 F CA 1.124 59.112 58.000 -0.020 0.000 1.239 454 F CB -0.453 38.534 39.000 -0.022 0.000 0.991 454 F HN 0.131 nan 8.300 nan 0.000 0.474 455 I N 0.279 120.821 120.570 -0.046 0.000 2.179 455 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 455 I C 2.700 178.712 176.117 -0.175 0.000 1.088 455 I CA 1.364 62.581 61.300 -0.138 0.000 1.357 455 I CB -0.979 37.027 38.000 0.010 0.000 1.051 455 I HN 0.261 nan 8.210 nan 0.000 0.409 456 A N 0.533 123.292 122.820 -0.102 0.000 1.898 456 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 456 A C 2.239 179.757 177.584 -0.109 0.000 1.181 456 A CA 1.514 53.499 52.037 -0.086 0.000 0.620 456 A CB -0.284 18.688 19.000 -0.047 0.000 0.819 456 A HN 0.343 nan 8.150 nan 0.000 0.442 457 K N -1.671 118.655 120.400 -0.123 0.000 2.361 457 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 457 K C 1.562 178.061 176.600 -0.168 0.000 1.032 457 K CA 0.937 57.156 56.287 -0.113 0.000 1.048 457 K CB 0.426 32.888 32.500 -0.063 0.000 0.842 457 K HN 0.493 nan 8.250 nan 0.000 0.526 458 E N 0.619 120.628 120.200 -0.318 0.000 2.520 458 E HA 0.110 4.459 4.350 -0.001 0.000 0.201 458 E C 1.579 177.904 176.600 -0.458 0.000 0.894 458 E CA -0.047 56.117 56.400 -0.393 0.000 1.161 458 E CB -0.112 29.268 29.700 -0.533 0.000 1.137 458 E HN 0.045 nan 8.360 nan 0.000 0.510 459 L N 1.073 121.883 121.223 -0.688 0.000 1.976 459 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 459 L C 2.045 178.752 176.870 -0.271 0.000 1.071 459 L CA 1.652 56.208 54.840 -0.473 0.000 0.746 459 L CB -0.207 41.590 42.059 -0.438 0.000 0.890 459 L HN 0.056 nan 8.230 nan 0.000 0.432 460 K N -0.255 120.017 120.400 -0.214 0.000 2.026 460 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 460 K C -0.273 176.262 176.600 -0.107 0.000 1.048 460 K CA 1.756 57.962 56.287 -0.134 0.000 0.929 460 K CB -1.295 31.145 32.500 -0.099 0.000 0.713 460 K HN 0.345 nan 8.250 nan 0.000 0.439 461 P HA -0.114 nan 4.420 nan 0.000 0.219 461 P C 0.969 178.245 177.300 -0.041 0.000 1.146 461 P CA 1.351 64.411 63.100 -0.067 0.000 0.808 461 P CB 0.059 31.717 31.700 -0.071 0.000 0.779 462 T N -0.467 114.044 114.554 -0.071 0.000 2.851 462 T HA -0.026 4.324 4.350 -0.001 0.000 0.262 462 T C 1.679 176.387 174.700 0.013 0.000 1.043 462 T CA 1.126 63.215 62.100 -0.017 0.000 1.140 462 T CB -0.556 68.267 68.868 -0.074 0.000 0.872 462 T HN 0.240 nan 8.240 nan 0.000 0.446 463 I N -1.088 119.394 120.570 -0.147 0.000 3.645 463 I HA 0.232 4.402 4.170 -0.001 0.000 0.300 463 I C 1.529 177.682 176.117 0.061 0.000 1.260 463 I CA 0.495 61.701 61.300 -0.157 0.000 1.365 463 I CB -0.189 37.549 38.000 -0.436 0.000 1.077 463 I HN -0.126 nan 8.210 nan 0.000 0.439 464 D N 3.228 123.632 120.400 0.006 0.000 2.170 464 D HA -0.248 4.391 4.640 -0.001 0.000 0.193 464 D C 2.089 178.398 176.300 0.016 0.000 1.004 464 D CA 2.154 56.158 54.000 0.007 0.000 0.860 464 D CB -0.143 40.645 40.800 -0.020 0.000 0.931 464 D HN 0.621 nan 8.370 nan 0.000 0.448 465 K N -0.661 119.736 120.400 -0.005 0.000 2.442 465 K HA -0.136 4.184 4.320 -0.001 0.000 0.198 465 K C 0.976 177.431 176.600 -0.242 0.000 1.042 465 K CA 0.934 57.134 56.287 -0.145 0.000 0.958 465 K CB -0.218 32.135 32.500 -0.245 0.000 0.766 465 K HN 0.290 nan 8.250 nan 0.000 0.474 466 Y N 1.124 121.456 120.300 0.054 0.000 2.458 466 Y HA 0.293 4.843 4.550 -0.001 0.000 0.254 466 Y C 0.572 176.508 175.900 0.060 0.000 1.120 466 Y CA -0.474 57.677 58.100 0.085 0.000 1.282 466 Y CB 0.631 39.207 38.460 0.193 0.000 1.109 466 Y HN -0.134 nan 8.280 nan 0.000 0.526 467 L N 1.761 123.076 121.223 0.153 0.000 2.260 467 L HA 0.235 4.575 4.340 -0.001 0.000 0.289 467 L C -0.538 176.366 176.870 0.056 0.000 1.057 467 L CA -0.444 54.455 54.840 0.098 0.000 0.811 467 L CB 0.335 42.433 42.059 0.065 0.000 1.184 467 L HN 0.261 nan 8.230 nan 0.000 0.429 468 D N 0.000 120.433 120.400 0.056 0.000 6.856 468 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 468 D CA 0.000 54.020 54.000 0.033 0.000 0.868 468 D CB 0.000 40.817 40.800 0.028 0.000 0.688 468 D HN 0.000 nan 8.370 nan 0.000 0.683