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 1a9u_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.650 176.600 0.083 0.000 1.382 4 E CA 0.000 56.446 56.400 0.076 0.000 0.976 4 E CB 0.000 29.771 29.700 0.119 0.000 0.812 5 R N 0.843 121.426 120.500 0.139 0.000 2.994 5 R HA -0.089 4.255 4.340 0.007 0.000 0.267 5 R C -2.662 173.722 176.300 0.140 0.000 0.914 5 R CA 0.555 56.763 56.100 0.179 0.000 0.668 5 R CB -1.601 28.776 30.300 0.127 0.000 1.524 5 R HN 0.254 nan 8.270 nan 0.000 0.478 6 P HA 0.427 nan 4.420 nan 0.000 0.325 6 P C -0.716 176.638 177.300 0.091 0.000 1.298 6 P CA -0.451 62.652 63.100 0.006 0.000 0.771 6 P CB 0.688 32.294 31.700 -0.157 0.000 1.389 7 T N 0.357 114.922 114.554 0.018 0.000 2.771 7 T HA 0.418 4.772 4.350 0.007 0.000 0.291 7 T C -0.376 174.372 174.700 0.081 0.000 0.954 7 T CA 0.229 62.394 62.100 0.109 0.000 1.045 7 T CB -0.426 68.477 68.868 0.059 0.000 0.917 7 T HN 0.077 nan 8.240 nan 0.000 0.484 8 F N 3.394 123.365 119.950 0.034 0.000 2.399 8 F HA 0.526 5.057 4.527 0.006 0.000 0.334 8 F C 0.065 175.948 175.800 0.138 0.000 1.097 8 F CA -1.088 56.932 58.000 0.034 0.000 1.076 8 F CB 0.952 39.942 39.000 -0.016 0.000 1.162 8 F HN 0.549 nan 8.300 nan 0.000 0.495 9 Y N 1.158 121.538 120.300 0.132 0.000 2.524 9 Y HA 0.762 5.314 4.550 0.004 0.000 0.344 9 Y C -0.825 175.162 175.900 0.146 0.000 1.012 9 Y CA -1.822 56.344 58.100 0.110 0.000 1.068 9 Y CB 1.189 39.681 38.460 0.053 0.000 1.249 9 Y HN 0.646 nan 8.280 nan 0.000 0.468 10 R N 3.120 123.695 120.500 0.125 0.000 2.803 10 R HA 0.726 5.071 4.340 0.007 0.000 0.276 10 R C -1.551 174.811 176.300 0.103 0.000 0.978 10 R CA -0.578 55.555 56.100 0.055 0.000 0.939 10 R CB 2.313 32.676 30.300 0.104 0.000 1.179 10 R HN 1.081 nan 8.270 nan 0.000 0.472 11 Q N 1.097 120.961 119.800 0.107 0.000 2.630 11 Q HA 0.283 4.627 4.340 0.007 0.000 0.295 11 Q C -1.777 174.327 176.000 0.173 0.000 0.944 11 Q CA -1.068 54.816 55.803 0.135 0.000 0.766 11 Q CB 1.902 30.716 28.738 0.128 0.000 1.471 11 Q HN 0.706 nan 8.270 nan 0.000 0.416 12 E N 1.772 122.059 120.200 0.146 0.000 2.182 12 E HA 0.496 4.850 4.350 0.007 0.000 0.258 12 E C -1.579 175.103 176.600 0.135 0.000 0.879 12 E CA -0.587 55.910 56.400 0.161 0.000 0.754 12 E CB 1.113 30.879 29.700 0.109 0.000 1.162 12 E HN 0.565 nan 8.360 nan 0.000 0.419 13 L N 4.677 126.007 121.223 0.178 0.000 2.343 13 L HA 0.455 4.799 4.340 0.007 0.000 0.278 13 L C -0.319 176.628 176.870 0.128 0.000 0.996 13 L CA -1.034 53.863 54.840 0.095 0.000 0.831 13 L CB 1.287 43.332 42.059 -0.024 0.000 1.232 13 L HN 0.652 nan 8.230 nan 0.000 0.413 14 N N 1.942 120.690 118.700 0.081 0.000 2.780 14 N HA -0.202 4.542 4.740 0.007 0.000 0.248 14 N C -0.075 175.480 175.510 0.075 0.000 1.102 14 N CA 0.847 53.940 53.050 0.071 0.000 0.697 14 N CB -0.862 37.670 38.487 0.076 0.000 1.028 14 N HN 0.713 nan 8.380 nan 0.000 0.554 15 K N -3.298 117.146 120.400 0.073 0.000 3.209 15 K HA -0.187 4.138 4.320 0.007 0.000 0.289 15 K C -0.779 175.858 176.600 0.061 0.000 1.191 15 K CA 1.648 57.968 56.287 0.056 0.000 0.851 15 K CB -1.860 30.657 32.500 0.028 0.000 1.242 15 K HN 0.496 nan 8.250 nan 0.000 0.480 16 T N 0.710 115.340 114.554 0.127 0.000 2.786 16 T HA 0.501 4.855 4.350 0.007 0.000 0.283 16 T C -0.013 174.801 174.700 0.191 0.000 0.992 16 T CA -0.816 61.352 62.100 0.114 0.000 0.954 16 T CB 1.225 70.222 68.868 0.214 0.000 0.934 16 T HN -0.047 nan 8.240 nan 0.000 0.440 17 I N 3.018 123.614 120.570 0.043 0.000 2.441 17 I HA 0.310 4.484 4.170 0.007 0.000 0.287 17 I C -0.662 175.487 176.117 0.054 0.000 1.049 17 I CA -1.615 59.745 61.300 0.101 0.000 1.381 17 I CB 0.333 38.359 38.000 0.044 0.000 1.409 17 I HN 0.660 nan 8.210 nan 0.000 0.523 18 W N 5.320 126.676 121.300 0.094 0.000 2.619 18 W HA 0.450 5.116 4.660 0.009 0.000 0.327 18 W C 0.068 176.616 176.519 0.049 0.000 1.027 18 W CA -0.569 56.869 57.345 0.155 0.000 1.233 18 W CB 1.035 30.553 29.460 0.096 0.000 1.370 18 W HN 0.405 nan 8.180 nan 0.000 0.453 19 E N 3.394 123.752 120.200 0.263 0.000 2.256 19 E HA 0.424 4.778 4.350 0.007 0.000 0.243 19 E C -0.865 175.821 176.600 0.143 0.000 0.925 19 E CA -0.435 56.061 56.400 0.160 0.000 0.748 19 E CB 0.783 30.596 29.700 0.188 0.000 1.206 19 E HN 0.355 nan 8.360 nan 0.000 0.428 20 V N 1.288 121.145 119.914 -0.096 0.000 2.960 20 V HA 0.747 4.871 4.120 0.007 0.000 0.315 20 V C -2.736 173.003 176.094 -0.592 0.000 1.087 20 V CA -2.898 59.170 62.300 -0.387 0.000 0.982 20 V CB 1.617 33.331 31.823 -0.182 0.000 1.039 20 V HN 0.395 nan 8.190 nan 0.000 0.437 21 P HA 0.229 nan 4.420 nan 0.000 0.270 21 P C 0.375 177.548 177.300 -0.212 0.000 1.223 21 P CA 0.001 62.580 63.100 -0.869 0.000 0.785 21 P CB 0.370 31.466 31.700 -1.007 0.000 0.923 22 E N 1.661 121.801 120.200 -0.101 0.000 2.333 22 E HA -0.226 4.128 4.350 0.007 0.000 0.198 22 E C 1.739 178.247 176.600 -0.153 0.000 1.007 22 E CA 0.634 57.004 56.400 -0.051 0.000 0.845 22 E CB -0.368 29.243 29.700 -0.147 0.000 0.766 22 E HN 0.492 nan 8.360 nan 0.000 0.507 23 R N 0.768 121.066 120.500 -0.336 0.000 2.127 23 R HA -0.136 4.208 4.340 0.007 0.000 0.238 23 R C 0.122 176.144 176.300 -0.463 0.000 1.134 23 R CA 0.927 56.749 56.100 -0.463 0.000 0.975 23 R CB -0.533 29.357 30.300 -0.684 0.000 0.865 23 R HN 0.101 nan 8.270 nan 0.000 0.447 24 Y N 2.283 122.549 120.300 -0.057 0.000 2.452 24 Y HA 0.295 4.848 4.550 0.005 0.000 0.348 24 Y C 0.280 176.253 175.900 0.122 0.000 0.985 24 Y CA -0.627 57.472 58.100 -0.002 0.000 1.214 24 Y CB 0.760 39.210 38.460 -0.017 0.000 1.136 24 Y HN 0.025 nan 8.280 nan 0.000 0.523 25 Q N 1.767 121.713 119.800 0.242 0.000 2.359 25 Q HA 0.340 4.684 4.340 0.007 0.000 0.275 25 Q C -0.311 175.811 176.000 0.205 0.000 1.082 25 Q CA -1.018 54.916 55.803 0.219 0.000 0.849 25 Q CB 1.607 30.444 28.738 0.164 0.000 1.377 25 Q HN 0.681 nan 8.270 nan 0.000 0.452 26 N N 0.445 119.233 118.700 0.147 0.000 2.667 26 N HA -0.198 4.546 4.740 0.007 0.000 0.263 26 N C -1.115 174.431 175.510 0.060 0.000 1.038 26 N CA 0.436 53.541 53.050 0.092 0.000 0.749 26 N CB -1.348 37.187 38.487 0.079 0.000 0.892 26 N HN 0.325 nan 8.380 nan 0.000 0.546 27 L N 0.646 121.881 121.223 0.020 0.000 2.331 27 L HA 0.315 4.659 4.340 0.007 0.000 0.278 27 L C 0.648 177.438 176.870 -0.133 0.000 1.106 27 L CA 0.118 54.896 54.840 -0.103 0.000 0.824 27 L CB 1.208 43.127 42.059 -0.234 0.000 1.142 27 L HN 0.380 nan 8.230 nan 0.000 0.443 28 S N 2.983 118.599 115.700 -0.140 0.000 2.647 28 S HA 0.666 5.140 4.470 0.007 0.000 0.300 28 S C -2.742 171.782 174.600 -0.126 0.000 1.129 28 S CA -1.760 56.375 58.200 -0.107 0.000 1.029 28 S CB 1.464 64.635 63.200 -0.047 0.000 1.007 28 S HN 0.259 nan 8.310 nan 0.000 0.484 29 P HA 0.044 nan 4.420 nan 0.000 0.264 29 P C 0.064 177.350 177.300 -0.024 0.000 1.173 29 P CA 0.048 63.106 63.100 -0.070 0.000 0.761 29 P CB 0.540 32.230 31.700 -0.018 0.000 0.794 30 V N 1.545 121.465 119.914 0.010 0.000 3.432 30 V HA 0.470 4.594 4.120 0.007 0.000 0.290 30 V C 0.247 176.380 176.094 0.064 0.000 1.591 30 V CA 0.761 63.078 62.300 0.029 0.000 1.069 30 V CB 0.454 32.288 31.823 0.020 0.000 0.892 30 V HN 0.865 nan 8.190 nan 0.000 0.436 31 G N -0.712 108.143 108.800 0.091 0.000 2.386 31 G HA2 0.477 4.441 3.960 0.007 0.000 0.302 31 G HA3 0.477 4.441 3.960 0.007 0.000 0.302 31 G C -1.250 173.733 174.900 0.138 0.000 1.629 31 G CA 0.436 45.613 45.100 0.128 0.000 0.917 31 G HN 0.142 nan 8.290 nan 0.000 0.676 32 S N -1.294 114.465 115.700 0.099 0.000 2.705 32 S HA 1.034 5.508 4.470 0.007 0.000 0.280 32 S C 0.170 174.686 174.600 -0.141 0.000 1.174 32 S CA 0.769 58.925 58.200 -0.074 0.000 0.823 32 S CB 1.666 64.832 63.200 -0.057 0.000 1.162 32 S HN 2.611 nan 8.310 nan 0.000 0.487 33 G N 0.075 108.642 108.800 -0.389 0.000 2.343 33 G HA2 0.505 4.469 3.960 0.007 0.000 0.289 33 G HA3 0.505 4.469 3.960 0.007 0.000 0.289 33 G C 0.504 175.186 174.900 -0.362 0.000 1.295 33 G CA 0.227 45.173 45.100 -0.255 0.000 0.869 33 G HN 1.220 nan 8.290 nan 0.000 0.522 34 A N -0.873 121.875 122.820 -0.120 0.000 1.940 34 A HA 0.093 4.417 4.320 0.007 0.000 0.219 34 A C 2.157 179.654 177.584 -0.146 0.000 1.176 34 A CA 2.779 54.754 52.037 -0.102 0.000 0.631 34 A CB -1.091 17.910 19.000 0.002 0.000 0.814 34 A HN 1.672 nan 8.150 nan 0.000 0.446 35 Y N -1.743 118.509 120.300 -0.080 0.000 2.274 35 Y HA 0.311 4.866 4.550 0.007 0.000 0.290 35 Y C 1.174 176.984 175.900 -0.149 0.000 1.145 35 Y CA 0.308 58.348 58.100 -0.101 0.000 1.203 35 Y CB -0.775 37.643 38.460 -0.070 0.000 0.984 35 Y HN 0.572 nan 8.280 nan 0.000 0.533 36 G N -0.608 107.692 108.800 -0.833 0.000 2.366 36 G HA2 0.321 4.285 3.960 0.007 0.000 0.190 36 G HA3 0.321 4.285 3.960 0.007 0.000 0.190 36 G C -1.301 173.155 174.900 -0.739 0.000 1.299 36 G CA -0.449 44.285 45.100 -0.610 0.000 1.056 36 G HN 0.585 nan 8.290 nan 0.000 0.468 37 S N -1.386 114.102 115.700 -0.352 0.000 2.595 37 S HA 0.820 5.294 4.470 0.007 0.000 0.281 37 S C -0.996 173.773 174.600 0.283 0.000 1.117 37 S CA -0.690 57.485 58.200 -0.042 0.000 0.873 37 S CB 2.188 65.477 63.200 0.147 0.000 1.108 37 S HN 1.268 nan 8.310 nan 0.000 0.477 38 V N 0.644 120.765 119.914 0.345 0.000 2.680 38 V HA 0.620 4.744 4.120 0.007 0.000 0.309 38 V C -0.521 175.684 176.094 0.184 0.000 1.052 38 V CA -0.481 62.016 62.300 0.329 0.000 0.908 38 V CB 1.591 33.554 31.823 0.235 0.000 1.001 38 V HN 1.137 nan 8.190 nan 0.000 0.431 39 C N 2.738 122.066 119.300 0.048 0.000 2.779 39 C HA 0.917 5.382 4.460 0.007 0.000 0.314 39 C C 0.347 175.279 174.990 -0.098 0.000 1.231 39 C CA -0.614 58.286 59.018 -0.197 0.000 1.652 39 C CB 1.699 29.026 27.740 -0.688 0.000 2.198 39 C HN 1.016 nan 8.230 nan 0.000 0.483 40 A N 1.516 124.281 122.820 -0.091 0.000 2.317 40 A HA 0.959 5.283 4.320 0.007 0.000 0.327 40 A C -0.380 177.190 177.584 -0.023 0.000 1.178 40 A CA 0.084 52.107 52.037 -0.023 0.000 0.817 40 A CB 0.907 19.908 19.000 0.002 0.000 1.189 40 A HN 1.643 nan 8.150 nan 0.000 0.489 41 A N 0.895 123.739 122.820 0.040 0.000 2.588 41 A HA 0.739 5.063 4.320 0.007 0.000 0.290 41 A C -1.681 176.031 177.584 0.213 0.000 1.136 41 A CA -0.453 51.646 52.037 0.104 0.000 0.681 41 A CB 0.760 19.808 19.000 0.080 0.000 1.282 41 A HN 1.538 nan 8.150 nan 0.000 0.421 42 F N 1.301 121.310 119.950 0.099 0.000 2.444 42 F HA 0.560 5.091 4.527 0.006 0.000 0.342 42 F C -0.426 175.458 175.800 0.140 0.000 1.121 42 F CA -1.071 56.987 58.000 0.095 0.000 0.997 42 F CB 1.426 40.457 39.000 0.051 0.000 1.130 42 F HN 0.527 nan 8.300 nan 0.000 0.454 43 D N 3.979 124.019 120.400 -0.600 0.000 2.411 43 D HA 0.098 4.743 4.640 0.007 0.000 0.225 43 D C 1.298 177.080 176.300 -0.864 0.000 1.156 43 D CA 0.160 53.878 54.000 -0.469 0.000 0.874 43 D CB 1.135 41.850 40.800 -0.143 0.000 1.034 43 D HN 0.693 nan 8.370 nan 0.000 0.502 44 T N 1.361 115.544 114.554 -0.619 0.000 2.803 44 T HA -0.224 4.130 4.350 0.007 0.000 0.269 44 T C 1.630 176.174 174.700 -0.259 0.000 1.052 44 T CA 1.109 62.984 62.100 -0.375 0.000 1.136 44 T CB -0.070 68.714 68.868 -0.140 0.000 0.864 44 T HN 0.395 nan 8.240 nan 0.000 0.467 45 K N 1.110 121.345 120.400 -0.274 0.000 2.228 45 K HA -0.033 4.291 4.320 0.007 0.000 0.202 45 K C 2.210 178.736 176.600 -0.123 0.000 1.051 45 K CA 1.487 57.670 56.287 -0.173 0.000 0.960 45 K CB -0.046 32.350 32.500 -0.172 0.000 0.743 45 K HN 0.608 nan 8.250 nan 0.000 0.458 46 T N -4.496 109.968 114.554 -0.151 0.000 2.985 46 T HA 0.216 4.570 4.350 0.007 0.000 0.254 46 T C 1.209 175.869 174.700 -0.065 0.000 1.021 46 T CA 0.489 62.546 62.100 -0.071 0.000 0.957 46 T CB 0.665 69.519 68.868 -0.024 0.000 1.047 46 T HN 0.282 nan 8.240 nan 0.000 0.511 47 G N 1.645 110.328 108.800 -0.196 0.000 2.168 47 G HA2 -0.221 3.743 3.960 0.007 0.000 0.263 47 G HA3 -0.221 3.743 3.960 0.007 0.000 0.263 47 G C -0.059 174.884 174.900 0.071 0.000 0.977 47 G CA 0.533 45.599 45.100 -0.057 0.000 0.659 47 G HN 0.679 nan 8.290 nan 0.000 0.533 48 L N 0.093 121.284 121.223 -0.054 0.000 2.399 48 L HA 0.620 4.964 4.340 0.007 0.000 0.265 48 L C 0.909 177.852 176.870 0.122 0.000 1.089 48 L CA -1.155 53.746 54.840 0.103 0.000 0.802 48 L CB 0.694 42.840 42.059 0.145 0.000 1.180 48 L HN -0.046 nan 8.230 nan 0.000 0.454 49 R N 1.967 122.598 120.500 0.218 0.000 2.221 49 R HA 0.459 4.804 4.340 0.007 0.000 0.327 49 R C -0.597 175.791 176.300 0.146 0.000 1.033 49 R CA -0.368 55.867 56.100 0.225 0.000 0.887 49 R CB 1.294 31.713 30.300 0.198 0.000 1.057 49 R HN 0.527 nan 8.270 nan 0.000 0.455 50 V N -1.026 118.952 119.914 0.106 0.000 3.103 50 V HA 0.915 5.040 4.120 0.007 0.000 0.318 50 V C -0.145 175.967 176.094 0.030 0.000 1.114 50 V CA -1.349 60.984 62.300 0.055 0.000 1.020 50 V CB 1.995 33.831 31.823 0.022 0.000 1.085 50 V HN 0.727 nan 8.190 nan 0.000 0.446 51 A N 1.374 124.200 122.820 0.010 0.000 2.303 51 A HA 0.812 5.136 4.320 0.007 0.000 0.320 51 A C -0.686 176.897 177.584 -0.001 0.000 1.192 51 A CA -0.612 51.434 52.037 0.015 0.000 0.821 51 A CB 1.263 20.283 19.000 0.033 0.000 1.188 51 A HN 1.165 nan 8.150 nan 0.000 0.492 52 V N 3.358 123.289 119.914 0.028 0.000 2.357 52 V HA 0.376 4.501 4.120 0.007 0.000 0.284 52 V C 0.144 176.420 176.094 0.302 0.000 1.018 52 V CA -0.534 61.830 62.300 0.106 0.000 0.841 52 V CB 1.397 33.298 31.823 0.129 0.000 0.991 52 V HN 0.903 nan 8.190 nan 0.000 0.437 53 K N 4.788 125.301 120.400 0.189 0.000 2.235 53 K HA 0.493 4.817 4.320 0.007 0.000 0.266 53 K C -0.459 176.099 176.600 -0.070 0.000 0.980 53 K CA -0.708 55.674 56.287 0.159 0.000 0.849 53 K CB 1.195 33.748 32.500 0.088 0.000 1.098 53 K HN 0.611 nan 8.250 nan 0.000 0.445 54 K N 6.326 126.543 120.400 -0.306 0.000 2.263 54 K HA 0.240 4.564 4.320 0.007 0.000 0.272 54 K C -0.787 175.463 176.600 -0.583 0.000 1.033 54 K CA -0.567 55.200 56.287 -0.868 0.000 0.884 54 K CB 0.632 32.253 32.500 -1.465 0.000 1.107 54 K HN 0.604 nan 8.250 nan 0.000 0.460 55 L N 4.631 125.540 121.223 -0.524 0.000 2.361 55 L HA 0.025 4.370 4.340 0.007 0.000 0.278 55 L C 1.749 178.356 176.870 -0.438 0.000 1.113 55 L CA -0.368 54.248 54.840 -0.373 0.000 0.849 55 L CB 1.127 42.995 42.059 -0.318 0.000 1.155 55 L HN 0.931 nan 8.230 nan 0.000 0.452 56 S N 3.574 119.048 115.700 -0.378 0.000 2.489 56 S HA -0.224 4.250 4.470 0.007 0.000 0.261 56 S C 0.892 175.275 174.600 -0.362 0.000 1.059 56 S CA 0.982 58.964 58.200 -0.363 0.000 1.372 56 S CB -0.101 62.911 63.200 -0.313 0.000 1.253 56 S HN 0.649 nan 8.310 nan 0.000 0.432 57 R N 1.738 122.022 120.500 -0.361 0.000 2.680 57 R HA 0.379 4.723 4.340 0.007 0.000 0.278 57 R C -2.374 173.661 176.300 -0.442 0.000 1.582 57 R CA -1.992 53.890 56.100 -0.363 0.000 1.177 57 R CB 1.300 31.437 30.300 -0.272 0.000 1.232 57 R HN 0.410 nan 8.270 nan 0.000 0.528 58 P HA -0.054 nan 4.420 nan 0.000 0.220 58 P C 0.227 177.136 177.300 -0.652 0.000 1.148 58 P CA 1.013 63.655 63.100 -0.764 0.000 0.803 58 P CB 0.178 31.186 31.700 -1.153 0.000 0.782 59 F N 0.808 120.706 119.950 -0.087 0.000 2.942 59 F HA 0.298 4.829 4.527 0.007 0.000 0.324 59 F C 1.860 177.645 175.800 -0.026 0.000 1.265 59 F CA -0.810 57.174 58.000 -0.027 0.000 1.255 59 F CB -0.632 38.337 39.000 -0.051 0.000 1.048 59 F HN -0.050 nan 8.300 nan 0.000 0.512 60 Q N 0.417 120.238 119.800 0.035 0.000 2.360 60 Q HA 0.181 4.525 4.340 0.007 0.000 0.202 60 Q C 0.041 176.100 176.000 0.098 0.000 0.915 60 Q CA 0.455 56.264 55.803 0.009 0.000 0.943 60 Q CB 0.427 29.084 28.738 -0.134 0.000 1.064 60 Q HN 0.397 nan 8.270 nan 0.000 0.511 61 S N -1.818 113.991 115.700 0.181 0.000 2.595 61 S HA 0.306 4.780 4.470 0.007 0.000 0.270 61 S C 0.242 174.943 174.600 0.168 0.000 1.145 61 S CA -0.843 57.461 58.200 0.174 0.000 0.825 61 S CB 0.124 63.456 63.200 0.219 0.000 1.107 61 S HN 0.118 nan 8.310 nan 0.000 0.461 62 I N 1.013 121.666 120.570 0.139 0.000 2.361 62 I HA -0.110 4.064 4.170 0.007 0.000 0.251 62 I C 1.714 177.856 176.117 0.042 0.000 1.133 62 I CA 0.934 62.340 61.300 0.177 0.000 1.413 62 I CB -0.135 37.985 38.000 0.199 0.000 1.073 62 I HN 0.630 nan 8.210 nan 0.000 0.424 63 I N 0.078 120.629 120.570 -0.031 0.000 2.353 63 I HA -0.261 3.913 4.170 0.007 0.000 0.248 63 I C 2.344 178.329 176.117 -0.220 0.000 1.119 63 I CA 1.794 62.998 61.300 -0.160 0.000 1.417 63 I CB -1.183 36.691 38.000 -0.209 0.000 1.078 63 I HN 0.288 nan 8.210 nan 0.000 0.421 64 H N 0.418 119.463 119.070 -0.042 0.000 2.333 64 H HA 0.015 4.575 4.556 0.007 0.000 0.302 64 H C 2.252 177.555 175.328 -0.042 0.000 1.075 64 H CA 1.549 57.565 56.048 -0.054 0.000 1.348 64 H CB -0.001 29.727 29.762 -0.057 0.000 1.393 64 H HN 0.301 nan 8.280 nan 0.000 0.509 65 A N 0.937 123.858 122.820 0.168 0.000 2.024 65 A HA -0.193 4.131 4.320 0.007 0.000 0.220 65 A C 2.131 179.725 177.584 0.017 0.000 1.164 65 A CA 1.467 53.686 52.037 0.302 0.000 0.643 65 A CB -0.297 18.976 19.000 0.455 0.000 0.806 65 A HN 0.272 nan 8.150 nan 0.000 0.451 66 K N -0.441 119.738 120.400 -0.367 0.000 2.031 66 K HA -0.130 4.194 4.320 0.007 0.000 0.205 66 K C 2.397 178.804 176.600 -0.322 0.000 1.049 66 K CA 1.075 56.873 56.287 -0.814 0.000 0.939 66 K CB -0.209 31.756 32.500 -0.890 0.000 0.717 66 K HN 0.479 nan 8.250 nan 0.000 0.438 67 R N 0.880 121.277 120.500 -0.173 0.000 2.096 67 R HA -0.084 4.260 4.340 0.007 0.000 0.235 67 R C 1.527 177.805 176.300 -0.036 0.000 1.127 67 R CA 1.865 57.919 56.100 -0.078 0.000 0.968 67 R CB -0.941 29.318 30.300 -0.068 0.000 0.861 67 R HN 0.069 nan 8.270 nan 0.000 0.440 68 T N 0.864 115.417 114.554 -0.002 0.000 2.737 68 T HA -0.162 4.192 4.350 0.007 0.000 0.265 68 T C 1.525 176.270 174.700 0.075 0.000 1.038 68 T CA 1.593 63.713 62.100 0.034 0.000 1.144 68 T CB -0.590 68.317 68.868 0.066 0.000 0.866 68 T HN 0.362 nan 8.240 nan 0.000 0.434 69 Y N 2.334 122.634 120.300 -0.000 0.000 2.128 69 Y HA -0.138 4.416 4.550 0.007 0.000 0.284 69 Y C 2.700 178.506 175.900 -0.156 0.000 1.154 69 Y CA 1.519 59.596 58.100 -0.038 0.000 1.149 69 Y CB -0.317 38.114 38.460 -0.048 0.000 0.976 69 Y HN -0.016 nan 8.280 nan 0.000 0.505 70 R N 0.420 120.804 120.500 -0.194 0.000 2.091 70 R HA -0.224 4.120 4.340 0.007 0.000 0.238 70 R C 2.340 178.568 176.300 -0.121 0.000 1.136 70 R CA 2.009 58.033 56.100 -0.126 0.000 0.959 70 R CB -0.462 29.899 30.300 0.102 0.000 0.856 70 R HN 0.548 nan 8.270 nan 0.000 0.437 71 E N 0.106 120.248 120.200 -0.095 0.000 2.051 71 E HA -0.215 4.139 4.350 0.007 0.000 0.192 71 E C 2.007 178.536 176.600 -0.118 0.000 0.991 71 E CA 1.197 57.545 56.400 -0.087 0.000 0.799 71 E CB -0.072 29.593 29.700 -0.058 0.000 0.748 71 E HN 0.230 nan 8.360 nan 0.000 0.449 72 L N 1.585 122.728 121.223 -0.133 0.000 2.012 72 L HA -0.205 4.139 4.340 0.007 0.000 0.210 72 L C 2.302 179.087 176.870 -0.143 0.000 1.073 72 L CA 1.745 56.511 54.840 -0.122 0.000 0.748 72 L CB -0.614 41.392 42.059 -0.089 0.000 0.891 72 L HN 0.056 nan 8.230 nan 0.000 0.431 73 R N -0.506 119.822 120.500 -0.286 0.000 2.080 73 R HA -0.159 4.185 4.340 0.007 0.000 0.236 73 R C 2.344 178.647 176.300 0.005 0.000 1.137 73 R CA 1.791 57.781 56.100 -0.185 0.000 0.943 73 R CB -1.128 28.931 30.300 -0.402 0.000 0.846 73 R HN 0.412 nan 8.270 nan 0.000 0.431 74 L N 0.375 121.554 121.223 -0.073 0.000 1.970 74 L HA -0.240 4.104 4.340 0.007 0.000 0.212 74 L C 2.418 179.164 176.870 -0.206 0.000 1.071 74 L CA 1.100 55.795 54.840 -0.242 0.000 0.751 74 L CB -0.496 41.368 42.059 -0.324 0.000 0.889 74 L HN 0.108 nan 8.230 nan 0.000 0.432 75 L N -0.271 120.865 121.223 -0.144 0.000 2.083 75 L HA -0.215 4.129 4.340 0.007 0.000 0.209 75 L C 2.443 179.326 176.870 0.021 0.000 1.083 75 L CA 1.687 56.483 54.840 -0.074 0.000 0.752 75 L CB -0.784 41.239 42.059 -0.061 0.000 0.899 75 L HN 0.161 nan 8.230 nan 0.000 0.433 76 K N -1.858 118.576 120.400 0.057 0.000 2.211 76 K HA -0.176 4.148 4.320 0.007 0.000 0.203 76 K C 2.110 178.807 176.600 0.161 0.000 1.050 76 K CA 0.815 57.199 56.287 0.161 0.000 0.945 76 K CB -0.110 32.493 32.500 0.170 0.000 0.732 76 K HN 0.421 nan 8.250 nan 0.000 0.451 77 H N -0.124 118.967 119.070 0.035 0.000 2.415 77 H HA 0.081 4.641 4.556 0.007 0.000 0.297 77 H C 0.260 175.634 175.328 0.077 0.000 1.048 77 H CA 0.381 56.458 56.048 0.049 0.000 1.365 77 H CB 0.369 30.126 29.762 -0.007 0.000 1.421 77 H HN -0.010 nan 8.280 nan 0.000 0.533 78 M N 2.815 122.479 119.600 0.106 0.000 2.685 78 M HA -0.020 4.464 4.480 0.007 0.000 0.344 78 M C -0.240 176.126 176.300 0.112 0.000 1.754 78 M CA 0.775 56.176 55.300 0.168 0.000 1.263 78 M CB -0.235 32.411 32.600 0.077 0.000 2.042 78 M HN 0.017 nan 8.290 nan 0.000 0.459 79 K N 3.362 123.823 120.400 0.102 0.000 2.682 79 K HA 0.347 4.671 4.320 0.007 0.000 0.189 79 K C -0.909 175.536 176.600 -0.257 0.000 1.062 79 K CA -0.278 55.991 56.287 -0.030 0.000 0.997 79 K CB 0.813 33.316 32.500 0.003 0.000 1.405 79 K HN 0.639 nan 8.250 nan 0.000 0.588 80 H N -0.444 118.371 119.070 -0.425 0.000 2.894 80 H HA 0.163 4.723 4.556 0.007 0.000 0.367 80 H C 0.614 175.790 175.328 -0.254 0.000 1.144 80 H CA -0.360 55.362 56.048 -0.544 0.000 1.180 80 H CB 1.638 30.770 29.762 -1.051 0.000 1.758 80 H HN 0.251 nan 8.280 nan 0.000 0.541 81 E N 2.056 122.024 120.200 -0.388 0.000 2.097 81 E HA -0.219 4.135 4.350 0.007 0.000 0.196 81 E C 0.349 176.944 176.600 -0.009 0.000 1.000 81 E CA 1.614 57.911 56.400 -0.173 0.000 0.804 81 E CB 0.029 29.600 29.700 -0.215 0.000 0.740 81 E HN 0.607 nan 8.360 nan 0.000 0.454 82 N N -0.256 118.567 118.700 0.203 0.000 2.314 82 N HA 0.057 4.802 4.740 0.007 0.000 0.200 82 N C -1.080 174.456 175.510 0.043 0.000 1.135 82 N CA -0.267 52.841 53.050 0.096 0.000 0.835 82 N CB 0.986 39.501 38.487 0.046 0.000 0.989 82 N HN -0.144 nan 8.380 nan 0.000 0.478 83 V N 0.893 120.860 119.914 0.089 0.000 2.876 83 V HA 0.307 4.431 4.120 0.007 0.000 0.312 83 V C -0.006 176.174 176.094 0.144 0.000 1.085 83 V CA -1.211 61.159 62.300 0.117 0.000 0.945 83 V CB 2.641 34.562 31.823 0.164 0.000 1.017 83 V HN 0.090 nan 8.190 nan 0.000 0.428 84 I N 2.535 123.227 120.570 0.204 0.000 2.710 84 I HA 0.496 4.670 4.170 0.007 0.000 0.286 84 I C 0.696 176.913 176.117 0.165 0.000 1.181 84 I CA 0.788 62.198 61.300 0.184 0.000 1.430 84 I CB 0.552 38.669 38.000 0.196 0.000 1.367 84 I HN 0.800 nan 8.210 nan 0.000 0.577 85 G N 7.158 116.048 108.800 0.150 0.000 2.600 85 G HA2 0.487 4.451 3.960 0.007 0.000 0.303 85 G HA3 0.487 4.451 3.960 0.007 0.000 0.303 85 G C -1.429 173.510 174.900 0.065 0.000 1.253 85 G CA -0.822 44.347 45.100 0.116 0.000 0.974 85 G HN 0.581 nan 8.290 nan 0.000 0.483 86 L N 1.452 122.715 121.223 0.065 0.000 2.264 86 L HA 0.368 4.712 4.340 0.007 0.000 0.289 86 L C 0.787 177.691 176.870 0.055 0.000 1.044 86 L CA -0.599 54.241 54.840 -0.001 0.000 0.807 86 L CB 1.507 43.555 42.059 -0.019 0.000 1.192 86 L HN 0.521 nan 8.230 nan 0.000 0.425 87 L N 2.700 123.888 121.223 -0.059 0.000 2.202 87 L HA 0.140 4.484 4.340 0.007 0.000 0.205 87 L C 0.010 176.946 176.870 0.108 0.000 1.083 87 L CA 0.714 55.566 54.840 0.020 0.000 0.790 87 L CB 0.221 42.206 42.059 -0.124 0.000 0.942 87 L HN 0.648 nan 8.230 nan 0.000 0.452 88 D N -2.407 117.876 120.400 -0.195 0.000 2.653 88 D HA 0.457 5.101 4.640 0.007 0.000 0.258 88 D C -1.529 174.468 176.300 -0.505 0.000 1.252 88 D CA -0.161 53.638 54.000 -0.335 0.000 0.777 88 D CB 2.450 43.364 40.800 0.190 0.000 1.339 88 D HN -0.317 nan 8.370 nan 0.000 0.422 89 V N 1.987 121.643 119.914 -0.430 0.000 2.817 89 V HA 0.755 4.879 4.120 0.007 0.000 0.303 89 V C -1.031 175.126 176.094 0.104 0.000 1.151 89 V CA -0.725 61.430 62.300 -0.242 0.000 0.929 89 V CB 1.573 33.201 31.823 -0.324 0.000 1.030 89 V HN 0.572 nan 8.190 nan 0.000 0.427 90 F N 1.226 121.256 119.950 0.134 0.000 2.745 90 F HA 0.930 5.461 4.527 0.006 0.000 0.316 90 F C -0.703 175.315 175.800 0.363 0.000 1.155 90 F CA -0.880 57.266 58.000 0.242 0.000 0.937 90 F CB 2.066 41.227 39.000 0.269 0.000 1.361 90 F HN 0.471 nan 8.300 nan 0.000 0.472 91 T N 1.048 116.012 114.554 0.683 0.000 3.041 91 T HA 0.450 4.804 4.350 0.007 0.000 0.321 91 T C -2.528 172.364 174.700 0.320 0.000 1.184 91 T CA -1.481 60.961 62.100 0.569 0.000 1.050 91 T CB 1.938 71.149 68.868 0.572 0.000 1.159 91 T HN 0.549 nan 8.240 nan 0.000 0.469 92 P HA 0.182 nan 4.420 nan 0.000 0.233 92 P C 0.475 177.591 177.300 -0.307 0.000 1.167 92 P CA 0.090 62.800 63.100 -0.650 0.000 0.770 92 P CB -0.209 31.284 31.700 -0.345 0.000 0.837 93 A N 0.913 123.747 122.820 0.023 0.000 2.540 93 A HA 0.026 4.350 4.320 0.007 0.000 0.239 93 A C 1.402 179.037 177.584 0.086 0.000 1.061 93 A CA 0.068 52.167 52.037 0.104 0.000 0.758 93 A CB -0.128 19.046 19.000 0.290 0.000 0.991 93 A HN 0.061 nan 8.150 nan 0.000 0.502 94 R N 0.611 121.141 120.500 0.050 0.000 2.254 94 R HA 0.073 4.417 4.340 0.007 0.000 0.195 94 R C 0.404 176.762 176.300 0.097 0.000 0.957 94 R CA 1.013 57.149 56.100 0.059 0.000 1.024 94 R CB 0.090 30.405 30.300 0.024 0.000 0.952 94 R HN 0.876 nan 8.270 nan 0.000 0.484 95 S N -1.243 114.499 115.700 0.069 0.000 2.618 95 S HA 0.140 4.614 4.470 0.007 0.000 0.277 95 S C 0.322 174.793 174.600 -0.216 0.000 1.138 95 S CA -0.915 57.282 58.200 -0.005 0.000 0.844 95 S CB 1.526 64.715 63.200 -0.018 0.000 1.127 95 S HN 0.026 nan 8.310 nan 0.000 0.474 96 L N 1.004 121.925 121.223 -0.503 0.000 2.265 96 L HA 0.131 4.475 4.340 0.007 0.000 0.215 96 L C 1.986 178.702 176.870 -0.256 0.000 1.117 96 L CA 1.996 56.378 54.840 -0.763 0.000 0.782 96 L CB -1.060 40.607 42.059 -0.652 0.000 0.914 96 L HN 0.823 nan 8.230 nan 0.000 0.441 97 E N 0.726 120.835 120.200 -0.151 0.000 2.051 97 E HA -0.228 4.126 4.350 0.007 0.000 0.192 97 E C 1.939 178.515 176.600 -0.040 0.000 0.991 97 E CA 1.893 58.248 56.400 -0.076 0.000 0.799 97 E CB -0.268 29.401 29.700 -0.052 0.000 0.748 97 E HN 0.835 nan 8.360 nan 0.000 0.449 98 E N -0.207 119.985 120.200 -0.014 0.000 2.479 98 E HA -0.000 4.354 4.350 0.007 0.000 0.193 98 E C -0.141 176.505 176.600 0.077 0.000 1.049 98 E CA -0.402 56.009 56.400 0.018 0.000 0.870 98 E CB -0.227 29.486 29.700 0.022 0.000 0.944 98 E HN 0.105 nan 8.360 nan 0.000 0.492 99 F N 3.220 123.118 119.950 -0.087 0.000 2.538 99 F HA 0.075 4.606 4.527 0.006 0.000 0.382 99 F C 0.729 176.586 175.800 0.095 0.000 1.069 99 F CA -0.118 57.878 58.000 -0.006 0.000 1.138 99 F CB 0.272 39.180 39.000 -0.153 0.000 1.068 99 F HN 0.001 nan 8.300 nan 0.000 0.556 100 N N 3.013 121.562 118.700 -0.252 0.000 2.149 100 N HA -0.010 4.734 4.740 0.007 0.000 0.229 100 N C -1.063 174.288 175.510 -0.265 0.000 1.284 100 N CA -0.084 52.813 53.050 -0.255 0.000 0.864 100 N CB 0.451 38.873 38.487 -0.107 0.000 1.169 100 N HN 0.454 nan 8.380 nan 0.000 0.478 101 D N 1.486 121.817 120.400 -0.116 0.000 2.217 101 D HA 0.348 4.993 4.640 0.007 0.000 0.243 101 D C -0.662 175.684 176.300 0.077 0.000 1.054 101 D CA -0.230 53.712 54.000 -0.097 0.000 0.838 101 D CB 3.044 43.850 40.800 0.011 0.000 1.162 101 D HN -0.130 nan 8.370 nan 0.000 0.472 102 V N 2.867 122.696 119.914 -0.142 0.000 2.487 102 V HA 0.345 4.469 4.120 0.007 0.000 0.298 102 V C -1.013 174.875 176.094 -0.343 0.000 1.028 102 V CA -0.771 61.512 62.300 -0.029 0.000 0.860 102 V CB 1.109 32.945 31.823 0.022 0.000 0.991 102 V HN 0.384 nan 8.190 nan 0.000 0.427 103 Y N 4.467 124.511 120.300 -0.427 0.000 2.393 103 Y HA 0.739 5.293 4.550 0.006 0.000 0.341 103 Y C -0.133 175.448 175.900 -0.531 0.000 0.988 103 Y CA -0.849 56.872 58.100 -0.631 0.000 1.078 103 Y CB 1.858 39.496 38.460 -1.371 0.000 1.203 103 Y HN 0.435 nan 8.280 nan 0.000 0.453 104 L N 3.687 124.792 121.223 -0.198 0.000 2.346 104 L HA 0.782 5.126 4.340 0.007 0.000 0.276 104 L C -1.048 175.751 176.870 -0.118 0.000 1.006 104 L CA -1.094 53.646 54.840 -0.167 0.000 0.817 104 L CB 1.826 43.812 42.059 -0.122 0.000 1.272 104 L HN 0.286 nan 8.230 nan 0.000 0.421 105 V N 1.535 121.368 119.914 -0.136 0.000 2.487 105 V HA 0.665 4.789 4.120 0.007 0.000 0.298 105 V C -0.141 175.883 176.094 -0.118 0.000 1.028 105 V CA -0.274 61.956 62.300 -0.116 0.000 0.860 105 V CB 1.900 33.658 31.823 -0.108 0.000 0.991 105 V HN 0.859 nan 8.190 nan 0.000 0.427 106 T N 2.098 116.591 114.554 -0.101 0.000 2.841 106 T HA 0.501 4.855 4.350 0.007 0.000 0.296 106 T C -0.743 173.886 174.700 -0.119 0.000 1.166 106 T CA -0.605 61.412 62.100 -0.137 0.000 1.007 106 T CB 1.058 69.900 68.868 -0.043 0.000 1.253 106 T HN 0.790 nan 8.240 nan 0.000 0.511 107 H N 1.150 120.242 119.070 0.037 0.000 3.001 107 H HA 0.249 4.809 4.556 0.007 0.000 0.334 107 H C 0.151 175.499 175.328 0.033 0.000 1.034 107 H CA -0.253 55.818 56.048 0.039 0.000 1.420 107 H CB 0.257 30.041 29.762 0.036 0.000 1.405 107 H HN 0.212 nan 8.280 nan 0.000 0.593 108 L N 4.170 125.482 121.223 0.149 0.000 2.500 108 L HA 0.055 4.399 4.340 0.007 0.000 0.272 108 L C -0.616 176.305 176.870 0.086 0.000 1.149 108 L CA 0.089 54.986 54.840 0.094 0.000 0.897 108 L CB -0.014 42.096 42.059 0.085 0.000 1.178 108 L HN 0.567 nan 8.230 nan 0.000 0.473 109 M N 4.815 124.452 119.600 0.062 0.000 2.146 109 M HA 0.278 4.763 4.480 0.007 0.000 0.357 109 M C 1.068 177.383 176.300 0.024 0.000 1.261 109 M CA 0.042 55.365 55.300 0.038 0.000 1.106 109 M CB 0.488 33.102 32.600 0.023 0.000 1.612 109 M HN 0.733 nan 8.290 nan 0.000 0.470 110 G N 2.610 111.420 108.800 0.017 0.000 2.655 110 G HA2 0.373 4.337 3.960 0.007 0.000 0.217 110 G HA3 0.373 4.337 3.960 0.007 0.000 0.217 110 G C 0.094 174.994 174.900 -0.000 0.000 1.279 110 G CA 0.283 45.390 45.100 0.012 0.000 0.870 110 G HN 0.756 nan 8.290 nan 0.000 0.560 111 A N 0.538 123.353 122.820 -0.008 0.000 2.303 111 A HA 0.617 4.942 4.320 0.007 0.000 0.317 111 A C -0.506 177.059 177.584 -0.030 0.000 1.149 111 A CA -0.199 51.828 52.037 -0.017 0.000 0.822 111 A CB 0.975 19.965 19.000 -0.017 0.000 1.131 111 A HN 0.541 nan 8.150 nan 0.000 0.493 112 D N 0.471 120.847 120.400 -0.039 0.000 2.487 112 D HA 0.320 4.964 4.640 0.007 0.000 0.262 112 D C 0.702 176.964 176.300 -0.063 0.000 1.130 112 D CA -0.732 53.233 54.000 -0.059 0.000 1.038 112 D CB 0.448 41.207 40.800 -0.069 0.000 1.142 112 D HN 0.209 nan 8.370 nan 0.000 0.575 113 L N 0.317 121.490 121.223 -0.084 0.000 2.201 113 L HA -0.012 4.332 4.340 0.007 0.000 0.212 113 L C 1.408 178.240 176.870 -0.063 0.000 1.105 113 L CA 1.547 56.338 54.840 -0.081 0.000 0.775 113 L CB -1.216 40.779 42.059 -0.107 0.000 0.913 113 L HN 0.561 nan 8.230 nan 0.000 0.440 114 N N -0.648 118.012 118.700 -0.066 0.000 2.609 114 N HA -0.126 4.618 4.740 0.007 0.000 0.190 114 N C 1.170 176.669 175.510 -0.018 0.000 1.157 114 N CA 1.169 54.196 53.050 -0.040 0.000 0.918 114 N CB -0.112 38.346 38.487 -0.048 0.000 0.978 114 N HN 0.622 nan 8.380 nan 0.000 0.448 115 N N -1.229 117.456 118.700 -0.024 0.000 2.607 115 N HA 0.136 4.880 4.740 0.007 0.000 0.207 115 N C 1.136 176.636 175.510 -0.017 0.000 1.040 115 N CA 0.127 53.168 53.050 -0.015 0.000 0.947 115 N CB 0.123 38.600 38.487 -0.017 0.000 1.293 115 N HN -0.017 nan 8.380 nan 0.000 0.446 116 I N 1.248 121.801 120.570 -0.029 0.000 2.145 116 I HA -0.270 3.904 4.170 0.007 0.000 0.244 116 I C 1.940 178.040 176.117 -0.029 0.000 1.075 116 I CA 1.365 62.643 61.300 -0.037 0.000 1.332 116 I CB -0.252 37.716 38.000 -0.054 0.000 1.033 116 I HN 0.027 nan 8.210 nan 0.000 0.410 117 V N -0.304 119.597 119.914 -0.021 0.000 2.446 117 V HA -0.166 3.958 4.120 0.007 0.000 0.244 117 V C 2.328 178.427 176.094 0.009 0.000 1.039 117 V CA 1.311 63.608 62.300 -0.005 0.000 1.045 117 V CB -0.859 30.963 31.823 -0.001 0.000 0.681 117 V HN 0.385 nan 8.190 nan 0.000 0.459 118 K N 0.094 120.502 120.400 0.014 0.000 2.293 118 K HA -0.235 4.089 4.320 0.007 0.000 0.204 118 K C 1.309 177.922 176.600 0.022 0.000 1.045 118 K CA 1.814 58.117 56.287 0.028 0.000 0.933 118 K CB -0.313 32.206 32.500 0.032 0.000 0.736 118 K HN 0.560 nan 8.250 nan 0.000 0.463 119 C N 1.710 121.018 119.300 0.012 0.000 2.396 119 C HA 0.331 4.795 4.460 0.007 0.000 0.334 119 C C 0.018 175.014 174.990 0.011 0.000 1.313 119 C CA -0.620 58.404 59.018 0.011 0.000 1.719 119 C CB -1.064 26.679 27.740 0.005 0.000 1.893 119 C HN 0.446 nan 8.230 nan 0.000 0.589 120 Q N -0.092 119.716 119.800 0.014 0.000 3.045 120 Q HA 0.056 4.400 4.340 0.007 0.000 0.328 120 Q C -1.628 174.385 176.000 0.021 0.000 0.844 120 Q CA -0.433 55.380 55.803 0.017 0.000 0.930 120 Q CB 0.353 29.101 28.738 0.017 0.000 1.432 120 Q HN 0.504 nan 8.270 nan 0.000 0.528 121 K N 1.874 122.290 120.400 0.028 0.000 2.274 121 K HA 0.642 4.966 4.320 0.007 0.000 0.262 121 K C -0.453 176.180 176.600 0.054 0.000 0.961 121 K CA -0.310 55.998 56.287 0.036 0.000 0.833 121 K CB 0.523 33.043 32.500 0.032 0.000 1.102 121 K HN 0.506 nan 8.250 nan 0.000 0.436 122 L N 1.956 123.220 121.223 0.070 0.000 2.469 122 L HA 0.355 4.699 4.340 0.007 0.000 0.253 122 L C 0.934 177.891 176.870 0.145 0.000 1.143 122 L CA -1.047 53.865 54.840 0.121 0.000 0.804 122 L CB 0.958 43.099 42.059 0.137 0.000 1.214 122 L HN 0.761 nan 8.230 nan 0.000 0.476 123 T N -3.665 111.020 114.554 0.218 0.000 2.910 123 T HA 0.051 4.405 4.350 0.007 0.000 0.293 123 T C 0.662 175.423 174.700 0.102 0.000 1.015 123 T CA -0.466 61.707 62.100 0.121 0.000 1.094 123 T CB 1.279 70.174 68.868 0.045 0.000 0.968 123 T HN 0.677 nan 8.240 nan 0.000 0.521 124 D N 1.207 121.653 120.400 0.078 0.000 2.149 124 D HA -0.156 4.488 4.640 0.007 0.000 0.194 124 D C 1.458 177.816 176.300 0.096 0.000 1.001 124 D CA 1.625 55.695 54.000 0.117 0.000 0.849 124 D CB -0.121 40.749 40.800 0.117 0.000 0.939 124 D HN 0.675 nan 8.370 nan 0.000 0.449 125 D N -1.105 119.297 120.400 0.003 0.000 2.218 125 D HA -0.146 4.499 4.640 0.007 0.000 0.204 125 D C 1.866 178.191 176.300 0.043 0.000 0.976 125 D CA 0.782 54.778 54.000 -0.007 0.000 0.853 125 D CB -0.224 40.512 40.800 -0.106 0.000 0.939 125 D HN 0.477 nan 8.370 nan 0.000 0.481 126 H N 0.155 119.301 119.070 0.128 0.000 2.363 126 H HA 0.007 4.567 4.556 0.007 0.000 0.301 126 H C 2.439 177.855 175.328 0.147 0.000 1.074 126 H CA 0.470 56.606 56.048 0.146 0.000 1.354 126 H CB -0.303 29.522 29.762 0.105 0.000 1.397 126 H HN 0.001 nan 8.280 nan 0.000 0.516 127 V N 1.200 121.267 119.914 0.254 0.000 2.295 127 V HA -0.264 3.860 4.120 0.007 0.000 0.246 127 V C 2.500 178.738 176.094 0.240 0.000 1.049 127 V CA 1.692 64.122 62.300 0.217 0.000 1.024 127 V CB -0.582 31.372 31.823 0.217 0.000 0.648 127 V HN 0.345 nan 8.190 nan 0.000 0.447 128 Q N -1.075 118.825 119.800 0.167 0.000 2.045 128 Q HA -0.258 4.086 4.340 0.007 0.000 0.206 128 Q C 2.178 178.285 176.000 0.179 0.000 0.991 128 Q CA 2.455 58.285 55.803 0.045 0.000 0.851 128 Q CB -0.311 28.390 28.738 -0.061 0.000 0.911 128 Q HN 0.616 nan 8.270 nan 0.000 0.418 129 F N 0.696 120.520 119.950 -0.211 0.000 2.075 129 F HA -0.179 4.352 4.527 0.007 0.000 0.297 129 F C 1.800 177.520 175.800 -0.133 0.000 1.113 129 F CA 1.305 59.041 58.000 -0.439 0.000 1.218 129 F CB -0.409 38.391 39.000 -0.333 0.000 0.984 129 F HN 0.008 nan 8.300 nan 0.000 0.472 130 L N -0.418 120.740 121.223 -0.109 0.000 2.017 130 L HA -0.254 4.090 4.340 0.007 0.000 0.208 130 L C 2.452 179.222 176.870 -0.167 0.000 1.073 130 L CA 0.782 55.494 54.840 -0.213 0.000 0.745 130 L CB -0.680 41.339 42.059 -0.066 0.000 0.894 130 L HN 0.100 nan 8.230 nan 0.000 0.432 131 I N -0.998 119.569 120.570 -0.004 0.000 2.286 131 I HA -0.314 3.861 4.170 0.007 0.000 0.248 131 I C 2.483 178.487 176.117 -0.187 0.000 1.115 131 I CA 1.498 62.810 61.300 0.020 0.000 1.392 131 I CB -1.239 36.935 38.000 0.291 0.000 1.065 131 I HN 0.274 nan 8.210 nan 0.000 0.418 132 Y N 2.301 122.368 120.300 -0.388 0.000 2.081 132 Y HA -0.313 4.241 4.550 0.007 0.000 0.280 132 Y C 2.733 178.338 175.900 -0.492 0.000 1.163 132 Y CA 2.063 59.704 58.100 -0.766 0.000 1.135 132 Y CB -0.447 37.686 38.460 -0.545 0.000 0.970 132 Y HN 0.234 nan 8.280 nan 0.000 0.498 133 Q N -0.091 119.427 119.800 -0.469 0.000 2.124 133 Q HA -0.159 4.185 4.340 0.007 0.000 0.202 133 Q C 2.344 178.108 176.000 -0.393 0.000 0.977 133 Q CA 1.997 57.530 55.803 -0.451 0.000 0.850 133 Q CB -0.182 28.298 28.738 -0.429 0.000 0.901 133 Q HN 0.586 nan 8.270 nan 0.000 0.429 134 I N 0.451 120.812 120.570 -0.347 0.000 2.226 134 I HA -0.291 3.883 4.170 0.007 0.000 0.245 134 I C 2.111 178.038 176.117 -0.317 0.000 1.100 134 I CA 1.142 62.267 61.300 -0.292 0.000 1.374 134 I CB -0.292 37.568 38.000 -0.232 0.000 1.057 134 I HN 0.221 nan 8.210 nan 0.000 0.413 135 L N 0.210 121.209 121.223 -0.373 0.000 2.093 135 L HA -0.170 4.174 4.340 0.007 0.000 0.208 135 L C 2.791 179.435 176.870 -0.377 0.000 1.085 135 L CA 1.101 55.729 54.840 -0.355 0.000 0.755 135 L CB -0.519 41.303 42.059 -0.396 0.000 0.904 135 L HN 0.213 nan 8.230 nan 0.000 0.435 136 R N 0.258 120.456 120.500 -0.503 0.000 2.073 136 R HA -0.133 4.211 4.340 0.007 0.000 0.234 136 R C 2.255 178.359 176.300 -0.327 0.000 1.134 136 R CA 1.544 57.416 56.100 -0.382 0.000 0.952 136 R CB -0.478 29.555 30.300 -0.445 0.000 0.850 136 R HN 0.358 nan 8.270 nan 0.000 0.433 137 G N 0.802 109.377 108.800 -0.376 0.000 2.408 137 G HA2 -0.222 3.742 3.960 0.007 0.000 0.217 137 G HA3 -0.222 3.742 3.960 0.007 0.000 0.217 137 G C 1.244 175.949 174.900 -0.325 0.000 1.150 137 G CA 0.279 45.081 45.100 -0.496 0.000 0.776 137 G HN 0.237 nan 8.290 nan 0.000 0.542 138 L N 0.737 121.773 121.223 -0.312 0.000 2.156 138 L HA 0.135 4.479 4.340 0.007 0.000 0.208 138 L C 2.675 179.306 176.870 -0.397 0.000 1.095 138 L CA 1.834 56.434 54.840 -0.400 0.000 0.770 138 L CB -0.368 41.438 42.059 -0.422 0.000 0.914 138 L HN 0.328 nan 8.230 nan 0.000 0.439 139 K N -1.735 118.536 120.400 -0.215 0.000 2.057 139 K HA -0.262 4.062 4.320 0.007 0.000 0.206 139 K C 2.310 178.900 176.600 -0.016 0.000 1.050 139 K CA 1.613 57.858 56.287 -0.069 0.000 0.935 139 K CB -0.484 32.000 32.500 -0.027 0.000 0.715 139 K HN 0.291 nan 8.250 nan 0.000 0.439 140 Y N 1.516 121.708 120.300 -0.180 0.000 2.114 140 Y HA -0.209 4.345 4.550 0.007 0.000 0.284 140 Y C 1.888 177.764 175.900 -0.040 0.000 1.143 140 Y CA 1.922 59.952 58.100 -0.116 0.000 1.135 140 Y CB -0.263 37.999 38.460 -0.330 0.000 0.980 140 Y HN 0.012 nan 8.280 nan 0.000 0.499 141 I N -0.254 120.302 120.570 -0.024 0.000 2.127 141 I HA -0.420 3.754 4.170 0.007 0.000 0.241 141 I C 2.391 178.542 176.117 0.055 0.000 1.075 141 I CA 2.121 63.426 61.300 0.008 0.000 1.334 141 I CB -0.618 37.458 38.000 0.127 0.000 1.040 141 I HN 0.369 nan 8.210 nan 0.000 0.405 142 H N -0.530 118.542 119.070 0.004 0.000 2.387 142 H HA -0.155 4.405 4.556 0.007 0.000 0.299 142 H C 2.498 177.820 175.328 -0.010 0.000 1.090 142 H CA 1.259 57.317 56.048 0.016 0.000 1.332 142 H CB -0.024 29.757 29.762 0.031 0.000 1.386 142 H HN 0.382 nan 8.280 nan 0.000 0.516 143 S N 0.710 116.461 115.700 0.085 0.000 2.465 143 S HA -0.081 4.393 4.470 0.007 0.000 0.241 143 S C 1.911 176.505 174.600 -0.010 0.000 1.000 143 S CA 0.735 58.949 58.200 0.024 0.000 0.964 143 S CB -0.035 63.160 63.200 -0.009 0.000 0.763 143 S HN 0.415 nan 8.310 nan 0.000 0.512 144 A N 0.322 123.115 122.820 -0.045 0.000 2.379 144 A HA 0.396 4.720 4.320 0.007 0.000 0.236 144 A C 0.500 178.116 177.584 0.053 0.000 1.272 144 A CA 0.310 52.335 52.037 -0.021 0.000 0.886 144 A CB -0.281 18.652 19.000 -0.112 0.000 0.962 144 A HN 0.381 nan 8.150 nan 0.000 0.504 145 D N -1.286 119.152 120.400 0.064 0.000 2.981 145 D HA -0.136 4.508 4.640 0.007 0.000 0.223 145 D C -0.350 176.014 176.300 0.106 0.000 1.151 145 D CA 1.029 55.076 54.000 0.078 0.000 0.827 145 D CB -1.583 39.259 40.800 0.070 0.000 1.101 145 D HN 0.564 nan 8.370 nan 0.000 0.426 146 I N 0.631 121.269 120.570 0.115 0.000 2.412 146 I HA 0.392 4.566 4.170 0.007 0.000 0.296 146 I C 0.637 176.901 176.117 0.245 0.000 0.987 146 I CA -0.774 60.603 61.300 0.129 0.000 1.180 146 I CB 1.584 39.591 38.000 0.012 0.000 1.340 146 I HN -0.146 nan 8.210 nan 0.000 0.455 147 I N 5.050 125.752 120.570 0.221 0.000 2.362 147 I HA 0.186 4.360 4.170 0.007 0.000 0.289 147 I C 1.183 177.447 176.117 0.245 0.000 0.994 147 I CA -0.537 60.916 61.300 0.255 0.000 1.158 147 I CB 1.456 39.575 38.000 0.199 0.000 1.315 147 I HN 0.699 nan 8.210 nan 0.000 0.451 148 H N 7.072 126.255 119.070 0.188 0.000 2.293 148 H HA -0.059 4.501 4.556 0.007 0.000 0.300 148 H C 1.185 176.514 175.328 0.001 0.000 1.082 148 H CA 2.169 58.267 56.048 0.083 0.000 1.308 148 H CB 0.421 30.126 29.762 -0.095 0.000 1.375 148 H HN 0.644 nan 8.280 nan 0.000 0.495 149 R N -0.985 119.609 120.500 0.157 0.000 3.749 149 R HA -0.185 4.160 4.340 0.007 0.000 0.476 149 R C -0.378 175.948 176.300 0.042 0.000 0.814 149 R CA 1.345 57.433 56.100 -0.020 0.000 1.494 149 R CB -1.397 28.812 30.300 -0.151 0.000 2.164 149 R HN 0.353 nan 8.270 nan 0.000 0.473 150 D N 0.386 120.956 120.400 0.284 0.000 2.992 150 D HA 0.258 4.902 4.640 0.007 0.000 0.372 150 D C -0.736 175.570 176.300 0.010 0.000 1.374 150 D CA -0.170 53.914 54.000 0.140 0.000 0.769 150 D CB 0.368 41.218 40.800 0.084 0.000 1.215 150 D HN 0.090 nan 8.370 nan 0.000 0.473 151 L N 2.054 123.173 121.223 -0.173 0.000 2.360 151 L HA 0.311 4.656 4.340 0.007 0.000 0.276 151 L C 0.378 177.059 176.870 -0.315 0.000 1.121 151 L CA 0.367 54.951 54.840 -0.427 0.000 0.845 151 L CB 0.379 42.228 42.059 -0.349 0.000 1.143 151 L HN 0.156 nan 8.230 nan 0.000 0.452 152 K N 2.470 122.611 120.400 -0.432 0.000 2.579 152 K HA 0.421 4.745 4.320 0.007 0.000 0.284 152 K C -2.787 173.489 176.600 -0.540 0.000 0.990 152 K CA -1.604 54.261 56.287 -0.704 0.000 0.880 152 K CB 1.305 33.416 32.500 -0.649 0.000 1.488 152 K HN -0.072 nan 8.250 nan 0.000 0.425 153 P HA -0.289 nan 4.420 nan 0.000 0.216 153 P C 1.325 178.491 177.300 -0.222 0.000 1.154 153 P CA 2.222 65.138 63.100 -0.306 0.000 0.865 153 P CB 0.030 31.601 31.700 -0.216 0.000 0.789 154 S N -2.113 113.459 115.700 -0.214 0.000 2.507 154 S HA -0.078 4.396 4.470 0.007 0.000 0.235 154 S C 1.317 175.827 174.600 -0.151 0.000 0.988 154 S CA 0.909 59.020 58.200 -0.149 0.000 0.944 154 S CB -1.311 61.814 63.200 -0.126 0.000 0.762 154 S HN 0.227 nan 8.310 nan 0.000 0.526 155 N N 0.421 119.004 118.700 -0.196 0.000 2.273 155 N HA 0.385 5.129 4.740 0.007 0.000 0.231 155 N C -1.254 174.131 175.510 -0.208 0.000 1.134 155 N CA -0.113 52.826 53.050 -0.186 0.000 0.856 155 N CB 0.406 38.770 38.487 -0.206 0.000 1.068 155 N HN 0.337 nan 8.380 nan 0.000 0.510 156 L N 1.249 122.362 121.223 -0.185 0.000 2.427 156 L HA 0.529 4.873 4.340 0.007 0.000 0.264 156 L C -0.416 176.380 176.870 -0.123 0.000 0.989 156 L CA -0.756 53.980 54.840 -0.173 0.000 0.865 156 L CB 1.603 43.544 42.059 -0.197 0.000 1.209 156 L HN -0.039 nan 8.230 nan 0.000 0.430 157 A N 3.678 126.440 122.820 -0.097 0.000 2.409 157 A HA 0.688 5.012 4.320 0.007 0.000 0.262 157 A C -0.232 177.310 177.584 -0.070 0.000 1.113 157 A CA -0.182 51.816 52.037 -0.066 0.000 0.790 157 A CB 0.576 19.552 19.000 -0.039 0.000 1.046 157 A HN 0.416 nan 8.150 nan 0.000 0.496 158 V N 3.945 123.825 119.914 -0.057 0.000 2.686 158 V HA 0.331 4.455 4.120 0.007 0.000 0.306 158 V C -0.267 175.810 176.094 -0.029 0.000 1.065 158 V CA -0.998 61.270 62.300 -0.053 0.000 0.894 158 V CB 1.692 33.478 31.823 -0.061 0.000 1.004 158 V HN 1.106 nan 8.190 nan 0.000 0.424 159 N N 2.666 121.357 118.700 -0.015 0.000 2.495 159 N HA 0.218 4.963 4.740 0.007 0.000 0.294 159 N C 0.981 176.497 175.510 0.009 0.000 1.276 159 N CA -0.197 52.853 53.050 -0.000 0.000 0.973 159 N CB 0.382 38.873 38.487 0.006 0.000 1.143 159 N HN 0.763 nan 8.380 nan 0.000 0.589 160 E N -1.290 118.918 120.200 0.014 0.000 2.204 160 E HA -0.198 4.156 4.350 0.007 0.000 0.195 160 E C -0.154 176.466 176.600 0.034 0.000 0.990 160 E CA 1.682 58.091 56.400 0.015 0.000 0.821 160 E CB -0.450 29.259 29.700 0.015 0.000 0.750 160 E HN 0.688 nan 8.360 nan 0.000 0.477 161 D N -0.664 119.769 120.400 0.055 0.000 2.325 161 D HA 0.125 4.769 4.640 0.007 0.000 0.234 161 D C -0.513 175.894 176.300 0.180 0.000 1.122 161 D CA 0.277 54.334 54.000 0.094 0.000 0.850 161 D CB 0.065 40.917 40.800 0.087 0.000 0.921 161 D HN 0.243 nan 8.370 nan 0.000 0.513 162 C N 1.644 121.026 119.300 0.137 0.000 4.331 162 C HA -0.188 4.277 4.460 0.007 0.000 0.293 162 C C 0.166 175.256 174.990 0.166 0.000 1.436 162 C CA 0.222 59.346 59.018 0.176 0.000 1.993 162 C CB -2.032 25.909 27.740 0.335 0.000 1.266 162 C HN 0.395 nan 8.230 nan 0.000 0.795 163 E N -0.029 120.230 120.200 0.097 0.000 2.227 163 E HA 0.556 4.910 4.350 0.007 0.000 0.282 163 E C -0.093 176.453 176.600 -0.089 0.000 1.015 163 E CA -0.347 56.054 56.400 0.002 0.000 0.823 163 E CB 1.683 31.416 29.700 0.055 0.000 1.081 163 E HN 0.624 nan 8.360 nan 0.000 0.396 164 L N 2.442 123.560 121.223 -0.175 0.000 2.342 164 L HA 0.552 4.896 4.340 0.007 0.000 0.271 164 L C -0.996 175.797 176.870 -0.128 0.000 1.008 164 L CA -0.684 54.060 54.840 -0.159 0.000 0.818 164 L CB 1.505 43.433 42.059 -0.218 0.000 1.296 164 L HN 0.404 nan 8.230 nan 0.000 0.427 165 K N 4.038 124.375 120.400 -0.104 0.000 2.468 165 K HA 0.526 4.850 4.320 0.007 0.000 0.252 165 K C -1.378 175.164 176.600 -0.096 0.000 0.932 165 K CA -0.566 55.679 56.287 -0.071 0.000 0.794 165 K CB 1.706 34.189 32.500 -0.027 0.000 1.241 165 K HN 0.589 nan 8.250 nan 0.000 0.428 166 I N 5.794 126.304 120.570 -0.100 0.000 2.371 166 I HA 0.129 4.303 4.170 0.007 0.000 0.290 166 I C -0.306 175.729 176.117 -0.136 0.000 1.028 166 I CA -0.616 60.574 61.300 -0.183 0.000 1.345 166 I CB 0.490 38.347 38.000 -0.238 0.000 1.407 166 I HN 0.397 nan 8.210 nan 0.000 0.501 167 L N 4.096 125.218 121.223 -0.167 0.000 2.464 167 L HA 0.390 4.734 4.340 0.007 0.000 0.264 167 L C -0.001 176.810 176.870 -0.098 0.000 1.062 167 L CA -0.769 54.026 54.840 -0.076 0.000 0.935 167 L CB 0.089 42.119 42.059 -0.048 0.000 1.603 167 L HN 0.508 nan 8.230 nan 0.000 0.528 168 D N 1.271 121.666 120.400 -0.009 0.000 6.046 168 D HA -0.256 4.388 4.640 0.007 0.000 0.178 168 D C -0.515 175.733 176.300 -0.087 0.000 1.205 168 D CA 0.863 54.857 54.000 -0.010 0.000 0.863 168 D CB -0.783 39.984 40.800 -0.055 0.000 1.299 168 D HN 0.100 nan 8.370 nan 0.000 0.724 169 F N 0.613 120.459 119.950 -0.174 0.000 2.529 169 F HA 0.227 4.758 4.527 0.006 0.000 0.365 169 F C 2.065 177.606 175.800 -0.432 0.000 1.102 169 F CA 0.346 58.033 58.000 -0.521 0.000 1.271 169 F CB 0.863 39.666 39.000 -0.327 0.000 1.120 169 F HN 0.245 nan 8.300 nan 0.000 0.579 170 G N 3.820 112.319 108.800 -0.501 0.000 2.402 170 G HA2 -0.184 3.781 3.960 0.007 0.000 0.216 170 G HA3 -0.184 3.781 3.960 0.007 0.000 0.216 170 G C 0.863 175.715 174.900 -0.081 0.000 1.162 170 G CA -0.256 44.727 45.100 -0.194 0.000 0.777 170 G HN 0.543 nan 8.290 nan 0.000 0.539 171 L N 1.304 122.503 121.223 -0.039 0.000 2.891 171 L HA 0.243 4.587 4.340 0.007 0.000 0.290 171 L C 0.963 177.848 176.870 0.025 0.000 1.093 171 L CA 0.462 55.317 54.840 0.025 0.000 1.108 171 L CB 0.050 42.142 42.059 0.055 0.000 1.488 171 L HN 0.403 nan 8.230 nan 0.000 0.447 172 A N 3.857 126.688 122.820 0.018 0.000 3.511 172 A HA 0.069 4.393 4.320 0.007 0.000 0.106 172 A C 0.018 177.607 177.584 0.008 0.000 1.312 172 A CA -0.537 51.507 52.037 0.012 0.000 1.300 172 A CB 0.013 19.013 19.000 -0.001 0.000 1.019 172 A HN 0.532 nan 8.150 nan 0.000 0.470 173 R N 1.791 122.291 120.500 -0.000 0.000 2.296 173 R HA 0.318 4.662 4.340 0.007 0.000 0.323 173 R C -0.010 176.316 176.300 0.042 0.000 1.067 173 R CA -0.456 55.652 56.100 0.013 0.000 0.946 173 R CB 0.100 30.400 30.300 -0.001 0.000 0.991 173 R HN 0.641 nan 8.270 nan 0.000 0.448 174 H N 2.347 121.395 119.070 -0.037 0.000 3.193 174 H HA -0.097 4.463 4.556 0.007 0.000 0.306 174 H C -0.342 174.972 175.328 -0.024 0.000 0.960 174 H CA 0.867 56.900 56.048 -0.026 0.000 1.375 174 H CB 0.675 30.419 29.762 -0.030 0.000 1.321 174 H HN 0.450 nan 8.280 nan 0.000 0.578 175 T N 6.770 121.161 114.554 -0.271 0.000 2.771 175 T HA 0.063 4.417 4.350 0.007 0.000 0.277 175 T C -0.150 174.483 174.700 -0.112 0.000 0.919 175 T CA 0.308 62.301 62.100 -0.177 0.000 1.163 175 T CB -0.198 68.551 68.868 -0.198 0.000 0.876 175 T HN 0.548 nan 8.240 nan 0.000 0.545 176 D N 1.540 121.933 120.400 -0.013 0.000 2.808 176 D HA 0.147 4.792 4.640 0.007 0.000 0.294 176 D C 0.217 176.534 176.300 0.029 0.000 1.278 176 D CA -0.258 53.762 54.000 0.033 0.000 0.756 176 D CB 1.492 42.360 40.800 0.115 0.000 1.271 176 D HN 0.423 nan 8.370 nan 0.000 0.425 177 D N -0.171 120.248 120.400 0.031 0.000 3.429 177 D HA -0.241 4.403 4.640 0.007 0.000 0.200 177 D C 0.176 176.482 176.300 0.010 0.000 1.351 177 D CA 2.358 56.370 54.000 0.021 0.000 2.227 177 D CB -0.807 40.005 40.800 0.020 0.000 1.277 177 D HN 0.445 nan 8.370 nan 0.000 0.455 178 E N -0.479 119.718 120.200 -0.005 0.000 2.419 178 E HA 0.228 4.583 4.350 0.007 0.000 0.190 178 E C 0.842 177.412 176.600 -0.050 0.000 1.040 178 E CA 0.068 56.452 56.400 -0.028 0.000 0.900 178 E CB 0.207 29.881 29.700 -0.043 0.000 1.054 178 E HN 0.430 nan 8.360 nan 0.000 0.462 179 M N 0.041 119.632 119.600 -0.015 0.000 2.383 179 M HA 0.158 4.642 4.480 0.007 0.000 0.247 179 M C 0.089 176.409 176.300 0.033 0.000 1.117 179 M CA 0.337 55.616 55.300 -0.034 0.000 0.995 179 M CB -0.327 32.275 32.600 0.002 0.000 1.480 179 M HN -0.159 nan 8.290 nan 0.000 0.485 180 T N 1.406 115.997 114.554 0.061 0.000 2.856 180 T HA 0.584 4.938 4.350 0.007 0.000 0.292 180 T C 0.922 175.661 174.700 0.065 0.000 0.980 180 T CA 0.592 62.753 62.100 0.102 0.000 1.091 180 T CB 1.517 70.430 68.868 0.074 0.000 0.936 180 T HN 0.652 nan 8.240 nan 0.000 0.503 181 G N 1.645 110.513 108.800 0.113 0.000 2.593 181 G HA2 -0.261 3.704 3.960 0.007 0.000 0.237 181 G HA3 -0.261 3.704 3.960 0.007 0.000 0.237 181 G C -0.573 174.442 174.900 0.191 0.000 1.312 181 G CA -0.449 44.738 45.100 0.144 0.000 0.896 181 G HN 0.782 nan 8.290 nan 0.000 0.574 182 Y N 1.618 121.992 120.300 0.124 0.000 2.530 182 Y HA 0.445 4.999 4.550 0.007 0.000 0.340 182 Y C 0.938 176.877 175.900 0.065 0.000 1.247 182 Y CA 0.094 58.354 58.100 0.267 0.000 1.727 182 Y CB -0.257 38.362 38.460 0.265 0.000 1.613 182 Y HN 1.073 nan 8.280 nan 0.000 0.464 183 V N 1.238 120.893 119.914 -0.431 0.000 2.686 183 V HA 0.719 4.843 4.120 0.007 0.000 0.306 183 V C 0.566 175.664 176.094 -1.660 0.000 1.065 183 V CA -0.378 61.438 62.300 -0.807 0.000 0.894 183 V CB 1.086 32.681 31.823 -0.381 0.000 1.004 183 V HN 0.502 nan 8.190 nan 0.000 0.424 184 A N 2.973 124.763 122.820 -1.717 0.000 2.125 184 A HA -0.060 4.264 4.320 0.007 0.000 0.219 184 A C 1.997 179.293 177.584 -0.480 0.000 1.156 184 A CA 2.193 53.456 52.037 -1.290 0.000 0.671 184 A CB -0.873 17.840 19.000 -0.478 0.000 0.794 184 A HN 1.552 nan 8.150 nan 0.000 0.459 185 T N -3.329 110.965 114.554 -0.432 0.000 3.077 185 T HA -0.046 4.308 4.350 0.007 0.000 0.269 185 T C 1.584 176.181 174.700 -0.171 0.000 1.146 185 T CA 1.328 63.300 62.100 -0.213 0.000 1.091 185 T CB -0.113 68.643 68.868 -0.188 0.000 0.892 185 T HN 0.530 nan 8.240 nan 0.000 0.533 186 R N -1.486 118.837 120.500 -0.296 0.000 2.453 186 R HA 0.175 4.520 4.340 0.007 0.000 0.233 186 R C 0.992 177.260 176.300 -0.054 0.000 0.895 186 R CA -0.256 55.721 56.100 -0.204 0.000 1.028 186 R CB 0.291 30.408 30.300 -0.305 0.000 1.255 186 R HN 0.352 nan 8.270 nan 0.000 0.571 187 W N 0.171 121.387 121.300 -0.140 0.000 2.525 187 W HA -0.070 4.594 4.660 0.007 0.000 0.259 187 W C 0.584 176.854 176.519 -0.414 0.000 1.253 187 W CA 0.529 57.688 57.345 -0.309 0.000 1.262 187 W CB -0.447 28.710 29.460 -0.506 0.000 1.122 187 W HN 0.154 nan 8.180 nan 0.000 0.607 188 Y N -0.618 119.837 120.300 0.258 0.000 2.458 188 Y HA 0.244 4.799 4.550 0.007 0.000 0.256 188 Y C 1.210 177.270 175.900 0.267 0.000 1.159 188 Y CA -0.459 57.789 58.100 0.247 0.000 1.261 188 Y CB -0.334 38.197 38.460 0.118 0.000 1.119 188 Y HN -0.366 nan 8.280 nan 0.000 0.524 189 R N 1.342 121.978 120.500 0.226 0.000 2.438 189 R HA 0.480 4.824 4.340 0.007 0.000 0.287 189 R C 0.288 176.514 176.300 -0.123 0.000 1.077 189 R CA -0.261 55.869 56.100 0.051 0.000 1.034 189 R CB 0.689 30.941 30.300 -0.080 0.000 0.993 189 R HN 0.152 nan 8.270 nan 0.000 0.459 190 A N 5.323 127.944 122.820 -0.331 0.000 2.445 190 A HA 0.154 4.478 4.320 0.007 0.000 0.242 190 A C -1.327 175.801 177.584 -0.760 0.000 1.075 190 A CA -1.246 50.231 52.037 -0.933 0.000 0.777 190 A CB 0.061 18.729 19.000 -0.555 0.000 1.013 190 A HN 0.556 nan 8.150 nan 0.000 0.493 191 P HA -0.248 nan 4.420 nan 0.000 0.216 191 P C 1.173 177.840 177.300 -1.055 0.000 1.153 191 P CA 1.784 64.335 63.100 -0.914 0.000 0.858 191 P CB 0.006 31.163 31.700 -0.905 0.000 0.789 192 E N 0.384 120.150 120.200 -0.724 0.000 2.153 192 E HA -0.163 4.191 4.350 0.007 0.000 0.194 192 E C 2.147 178.613 176.600 -0.224 0.000 0.988 192 E CA 0.940 57.129 56.400 -0.350 0.000 0.811 192 E CB -1.112 28.648 29.700 0.100 0.000 0.746 192 E HN 0.327 nan 8.360 nan 0.000 0.466 193 I N -0.315 120.118 120.570 -0.230 0.000 2.703 193 I HA -0.050 4.124 4.170 0.007 0.000 0.259 193 I C 2.653 178.655 176.117 -0.191 0.000 1.151 193 I CA 0.353 61.574 61.300 -0.131 0.000 1.470 193 I CB 0.017 37.880 38.000 -0.229 0.000 1.112 193 I HN 0.064 nan 8.210 nan 0.000 0.437 194 M N 0.095 119.518 119.600 -0.295 0.000 2.132 194 M HA -0.145 4.339 4.480 0.007 0.000 0.263 194 M C 0.917 177.118 176.300 -0.166 0.000 1.065 194 M CA 1.695 56.853 55.300 -0.237 0.000 1.122 194 M CB 0.174 32.589 32.600 -0.309 0.000 1.365 194 M HN 0.206 nan 8.290 nan 0.000 0.411 195 L N 0.784 121.780 121.223 -0.379 0.000 2.769 195 L HA 0.227 4.571 4.340 0.007 0.000 0.240 195 L C 0.482 177.258 176.870 -0.156 0.000 1.163 195 L CA 0.508 55.167 54.840 -0.301 0.000 0.962 195 L CB -1.351 40.373 42.059 -0.559 0.000 1.258 195 L HN 0.476 nan 8.230 nan 0.000 0.513 196 N N -0.520 118.111 118.700 -0.115 0.000 2.716 196 N HA -0.269 4.475 4.740 0.007 0.000 0.250 196 N C 0.669 176.299 175.510 0.200 0.000 1.033 196 N CA 0.217 53.291 53.050 0.041 0.000 0.727 196 N CB -0.280 38.236 38.487 0.050 0.000 0.950 196 N HN 0.337 nan 8.380 nan 0.000 0.541 197 W N -0.065 121.257 121.300 0.037 0.000 2.388 197 W HA 0.026 4.691 4.660 0.007 0.000 0.294 197 W C 1.668 178.215 176.519 0.046 0.000 1.212 197 W CA 1.149 58.514 57.345 0.033 0.000 1.271 197 W CB -0.326 29.143 29.460 0.014 0.000 1.126 197 W HN 0.391 nan 8.180 nan 0.000 0.535 198 M N -3.341 116.446 119.600 0.313 0.000 3.213 198 M HA 0.366 4.850 4.480 0.007 0.000 0.278 198 M C -0.865 175.571 176.300 0.226 0.000 1.332 198 M CA -0.793 54.645 55.300 0.229 0.000 0.810 198 M CB 2.064 34.774 32.600 0.183 0.000 1.676 198 M HN -0.248 nan 8.290 nan 0.000 0.463 199 H N 1.567 120.627 119.070 -0.017 0.000 2.800 199 H HA 0.305 4.865 4.556 0.007 0.000 0.291 199 H C -1.240 173.996 175.328 -0.153 0.000 1.076 199 H CA -0.285 55.668 56.048 -0.158 0.000 1.452 199 H CB 0.471 30.132 29.762 -0.168 0.000 1.461 199 H HN 0.532 nan 8.280 nan 0.000 0.488 200 Y N 2.485 122.821 120.300 0.059 0.000 2.314 200 Y HA 0.136 4.690 4.550 0.007 0.000 0.334 200 Y C 0.238 176.152 175.900 0.024 0.000 1.266 200 Y CA -1.194 56.924 58.100 0.029 0.000 1.391 200 Y CB 0.300 38.750 38.460 -0.016 0.000 1.306 200 Y HN 0.633 nan 8.280 nan 0.000 0.558 201 N N 0.495 119.341 118.700 0.244 0.000 2.879 201 N HA 0.258 5.002 4.740 0.007 0.000 0.329 201 N C 0.161 175.764 175.510 0.155 0.000 1.337 201 N CA -1.022 52.115 53.050 0.144 0.000 0.844 201 N CB 0.935 39.460 38.487 0.063 0.000 1.236 201 N HN 0.739 nan 8.380 nan 0.000 0.601 202 Q N -0.670 119.119 119.800 -0.017 0.000 2.364 202 Q HA -0.074 4.270 4.340 0.007 0.000 0.207 202 Q C 1.328 177.256 176.000 -0.120 0.000 0.970 202 Q CA 1.588 57.255 55.803 -0.227 0.000 0.888 202 Q CB -0.295 28.041 28.738 -0.671 0.000 0.951 202 Q HN 0.775 nan 8.270 nan 0.000 0.469 203 T N -1.653 112.909 114.554 0.013 0.000 3.163 203 T HA -0.034 4.321 4.350 0.007 0.000 0.260 203 T C 1.878 176.678 174.700 0.167 0.000 1.156 203 T CA 0.791 62.957 62.100 0.111 0.000 1.072 203 T CB -0.442 68.501 68.868 0.124 0.000 0.937 203 T HN 0.262 nan 8.240 nan 0.000 0.528 204 V N -0.487 119.503 119.914 0.127 0.000 2.626 204 V HA -0.067 4.057 4.120 0.007 0.000 0.252 204 V C 1.987 178.181 176.094 0.166 0.000 1.067 204 V CA 1.512 63.874 62.300 0.104 0.000 1.081 204 V CB -0.613 31.187 31.823 -0.038 0.000 0.686 204 V HN 0.206 nan 8.190 nan 0.000 0.468 205 D N 0.646 121.154 120.400 0.180 0.000 2.183 205 D HA -0.012 4.632 4.640 0.007 0.000 0.203 205 D C 2.204 178.619 176.300 0.191 0.000 0.969 205 D CA 1.186 55.302 54.000 0.194 0.000 0.842 205 D CB -0.037 40.946 40.800 0.305 0.000 0.957 205 D HN 0.396 nan 8.370 nan 0.000 0.484 206 I N 0.480 121.189 120.570 0.231 0.000 2.315 206 I HA -0.209 3.965 4.170 0.007 0.000 0.248 206 I C 2.342 178.586 176.117 0.212 0.000 1.117 206 I CA 0.691 62.106 61.300 0.191 0.000 1.404 206 I CB -0.890 37.224 38.000 0.191 0.000 1.071 206 I HN 0.279 nan 8.210 nan 0.000 0.419 207 W N 2.058 123.414 121.300 0.094 0.000 2.363 207 W HA -0.209 4.455 4.660 0.007 0.000 0.296 207 W C 2.463 179.057 176.519 0.125 0.000 1.212 207 W CA 1.641 59.054 57.345 0.113 0.000 1.260 207 W CB -0.270 29.251 29.460 0.101 0.000 1.131 207 W HN 0.089 nan 8.180 nan 0.000 0.530 208 S N 0.837 116.748 115.700 0.351 0.000 2.368 208 S HA -0.191 4.283 4.470 0.007 0.000 0.225 208 S C 1.878 176.548 174.600 0.116 0.000 1.030 208 S CA 1.759 60.115 58.200 0.261 0.000 0.999 208 S CB -0.768 62.539 63.200 0.179 0.000 0.844 208 S HN 0.120 nan 8.310 nan 0.000 0.459 209 V N 1.764 121.707 119.914 0.049 0.000 2.392 209 V HA -0.165 3.959 4.120 0.007 0.000 0.249 209 V C 2.608 178.685 176.094 -0.029 0.000 1.059 209 V CA 1.907 64.202 62.300 -0.008 0.000 1.051 209 V CB -1.546 30.270 31.823 -0.013 0.000 0.658 209 V HN 0.592 nan 8.190 nan 0.000 0.455 210 G N -1.140 107.617 108.800 -0.072 0.000 2.418 210 G HA2 -0.263 3.702 3.960 0.007 0.000 0.217 210 G HA3 -0.263 3.702 3.960 0.007 0.000 0.217 210 G C 1.729 176.518 174.900 -0.185 0.000 1.158 210 G CA 1.320 46.322 45.100 -0.163 0.000 0.771 210 G HN 0.542 nan 8.290 nan 0.000 0.545 211 C N 0.261 119.473 119.300 -0.146 0.000 2.432 211 C HA 0.055 4.519 4.460 0.007 0.000 0.277 211 C C 2.832 177.844 174.990 0.037 0.000 1.249 211 C CA 0.460 59.423 59.018 -0.092 0.000 1.725 211 C CB -1.003 26.773 27.740 0.060 0.000 2.028 211 C HN 0.470 nan 8.230 nan 0.000 0.477 212 I N 0.585 121.229 120.570 0.122 0.000 2.142 212 I HA -0.302 3.872 4.170 0.007 0.000 0.240 212 I C 2.671 178.789 176.117 0.002 0.000 1.078 212 I CA 1.967 63.320 61.300 0.088 0.000 1.343 212 I CB -0.482 37.513 38.000 -0.008 0.000 1.046 212 I HN 0.367 nan 8.210 nan 0.000 0.405 213 M N 0.864 120.440 119.600 -0.040 0.000 2.082 213 M HA -0.267 4.218 4.480 0.007 0.000 0.258 213 M C 2.358 178.573 176.300 -0.141 0.000 1.069 213 M CA 2.460 57.720 55.300 -0.067 0.000 1.102 213 M CB -0.202 32.350 32.600 -0.080 0.000 1.336 213 M HN 0.247 nan 8.290 nan 0.000 0.404 214 A N -0.386 122.302 122.820 -0.220 0.000 1.972 214 A HA -0.229 4.096 4.320 0.007 0.000 0.219 214 A C 1.986 179.516 177.584 -0.089 0.000 1.169 214 A CA 1.992 53.858 52.037 -0.284 0.000 0.635 214 A CB -0.915 17.927 19.000 -0.263 0.000 0.810 214 A HN 0.768 nan 8.150 nan 0.000 0.446 215 E N -0.355 119.813 120.200 -0.054 0.000 2.285 215 E HA -0.024 4.330 4.350 0.007 0.000 0.194 215 E C 1.712 178.316 176.600 0.006 0.000 0.997 215 E CA 0.324 56.719 56.400 -0.009 0.000 0.845 215 E CB -0.110 29.616 29.700 0.044 0.000 0.782 215 E HN 0.645 nan 8.360 nan 0.000 0.491 216 L N 0.333 121.556 121.223 -0.001 0.000 2.240 216 L HA -0.085 4.259 4.340 0.007 0.000 0.211 216 L C 2.199 179.084 176.870 0.025 0.000 1.106 216 L CA 0.471 55.322 54.840 0.018 0.000 0.793 216 L CB -0.097 41.978 42.059 0.027 0.000 0.927 216 L HN 0.246 nan 8.230 nan 0.000 0.446 217 L N -0.792 120.431 121.223 -0.000 0.000 2.102 217 L HA -0.103 4.241 4.340 0.007 0.000 0.202 217 L C 2.695 179.590 176.870 0.042 0.000 1.076 217 L CA 1.702 56.549 54.840 0.012 0.000 0.761 217 L CB -0.621 41.406 42.059 -0.053 0.000 0.921 217 L HN 0.334 nan 8.230 nan 0.000 0.444 218 T N -3.987 110.598 114.554 0.051 0.000 3.054 218 T HA 0.172 4.526 4.350 0.007 0.000 0.259 218 T C 1.548 176.259 174.700 0.019 0.000 1.092 218 T CA 0.593 62.722 62.100 0.049 0.000 1.121 218 T CB 0.395 69.297 68.868 0.057 0.000 0.912 218 T HN 0.439 nan 8.240 nan 0.000 0.489 219 G N 1.734 110.543 108.800 0.016 0.000 2.159 219 G HA2 -0.196 3.768 3.960 0.007 0.000 0.256 219 G HA3 -0.196 3.768 3.960 0.007 0.000 0.256 219 G C 0.054 174.953 174.900 -0.002 0.000 0.977 219 G CA -0.055 45.052 45.100 0.012 0.000 0.652 219 G HN 0.687 nan 8.290 nan 0.000 0.531 220 R N 0.013 120.499 120.500 -0.022 0.000 2.807 220 R HA 0.584 4.929 4.340 0.007 0.000 0.276 220 R C -0.174 176.068 176.300 -0.098 0.000 0.979 220 R CA -0.499 55.565 56.100 -0.059 0.000 0.928 220 R CB 0.672 30.922 30.300 -0.083 0.000 1.191 220 R HN 0.129 nan 8.270 nan 0.000 0.471 221 T N 2.629 117.090 114.554 -0.155 0.000 2.853 221 T HA 0.011 4.365 4.350 0.007 0.000 0.298 221 T C 1.605 176.097 174.700 -0.348 0.000 0.978 221 T CA -0.246 61.703 62.100 -0.251 0.000 1.152 221 T CB 0.574 69.173 68.868 -0.448 0.000 0.914 221 T HN 0.347 nan 8.240 nan 0.000 0.539 222 L N 3.055 124.028 121.223 -0.416 0.000 1.994 222 L HA 0.136 4.480 4.340 0.007 0.000 0.208 222 L C 0.402 176.822 176.870 -0.750 0.000 1.071 222 L CA 1.862 56.304 54.840 -0.664 0.000 0.745 222 L CB -0.243 41.265 42.059 -0.918 0.000 0.892 222 L HN 0.632 nan 8.230 nan 0.000 0.431 223 F N 0.970 120.763 119.950 -0.263 0.000 2.449 223 F HA 0.394 4.925 4.527 0.007 0.000 0.329 223 F C -2.014 173.483 175.800 -0.506 0.000 1.245 223 F CA -2.808 55.045 58.000 -0.245 0.000 1.193 223 F CB -0.060 38.899 39.000 -0.068 0.000 1.425 223 F HN 0.057 nan 8.300 nan 0.000 0.544 224 P HA 0.123 nan 4.420 nan 0.000 0.226 224 P C 0.664 177.689 177.300 -0.459 0.000 1.783 224 P CA 0.227 62.538 63.100 -1.315 0.000 0.980 224 P CB 0.200 31.284 31.700 -1.027 0.000 1.967 225 G N 1.181 109.905 108.800 -0.126 0.000 2.491 225 G HA2 0.176 4.140 3.960 0.007 0.000 0.242 225 G HA3 0.176 4.140 3.960 0.007 0.000 0.242 225 G C 1.152 176.298 174.900 0.409 0.000 1.266 225 G CA -0.159 45.047 45.100 0.177 0.000 0.844 225 G HN 0.326 nan 8.290 nan 0.000 0.571 226 T N -1.915 112.851 114.554 0.354 0.000 3.113 226 T HA 0.224 4.578 4.350 0.007 0.000 0.256 226 T C 0.347 175.214 174.700 0.278 0.000 1.131 226 T CA 0.673 63.016 62.100 0.404 0.000 1.074 226 T CB -0.395 68.608 68.868 0.225 0.000 0.944 226 T HN 0.834 nan 8.240 nan 0.000 0.516 227 D N -2.379 118.153 120.400 0.221 0.000 2.807 227 D HA 0.127 4.772 4.640 0.007 0.000 0.279 227 D C 0.362 176.754 176.300 0.153 0.000 1.247 227 D CA -0.888 53.222 54.000 0.183 0.000 0.749 227 D CB 0.034 40.936 40.800 0.171 0.000 1.264 227 D HN -0.062 nan 8.370 nan 0.000 0.421 228 H N -0.347 118.746 119.070 0.038 0.000 2.292 228 H HA -0.164 4.396 4.556 0.007 0.000 0.292 228 H C 1.495 176.828 175.328 0.008 0.000 1.100 228 H CA 1.906 57.954 56.048 -0.000 0.000 1.238 228 H CB -0.044 29.696 29.762 -0.037 0.000 1.355 228 H HN 0.346 nan 8.280 nan 0.000 0.484 229 I N 0.874 121.542 120.570 0.163 0.000 2.202 229 I HA -0.183 3.991 4.170 0.007 0.000 0.242 229 I C 2.364 178.556 176.117 0.126 0.000 1.091 229 I CA 1.192 62.569 61.300 0.129 0.000 1.368 229 I CB -1.136 36.911 38.000 0.079 0.000 1.058 229 I HN 0.209 nan 8.210 nan 0.000 0.410 230 D N 0.182 120.650 120.400 0.114 0.000 2.149 230 D HA -0.260 4.384 4.640 0.007 0.000 0.198 230 D C 2.235 178.588 176.300 0.088 0.000 0.990 230 D CA 1.344 55.406 54.000 0.104 0.000 0.839 230 D CB 0.027 40.895 40.800 0.112 0.000 0.948 230 D HN 0.379 nan 8.370 nan 0.000 0.460 231 Q N -0.781 119.068 119.800 0.082 0.000 2.083 231 Q HA -0.120 4.224 4.340 0.007 0.000 0.198 231 Q C 2.179 178.162 176.000 -0.029 0.000 0.969 231 Q CA 0.884 56.713 55.803 0.043 0.000 0.838 231 Q CB -0.212 28.552 28.738 0.044 0.000 0.900 231 Q HN 0.359 nan 8.270 nan 0.000 0.436 232 L N 1.254 122.473 121.223 -0.008 0.000 2.043 232 L HA -0.207 4.137 4.340 0.007 0.000 0.212 232 L C 1.996 178.877 176.870 0.019 0.000 1.075 232 L CA 1.995 56.827 54.840 -0.013 0.000 0.752 232 L CB -0.469 41.652 42.059 0.103 0.000 0.891 232 L HN 0.056 nan 8.230 nan 0.000 0.432 233 K N -0.651 119.787 120.400 0.063 0.000 2.009 233 K HA -0.137 4.187 4.320 0.007 0.000 0.210 233 K C 2.068 178.691 176.600 0.039 0.000 1.049 233 K CA 1.986 58.312 56.287 0.065 0.000 0.929 233 K CB -0.414 32.135 32.500 0.081 0.000 0.714 233 K HN 0.361 nan 8.250 nan 0.000 0.440 234 L N 0.443 121.686 121.223 0.034 0.000 2.042 234 L HA -0.223 4.122 4.340 0.007 0.000 0.210 234 L C 2.251 179.137 176.870 0.026 0.000 1.076 234 L CA 1.285 56.169 54.840 0.073 0.000 0.749 234 L CB -0.531 41.616 42.059 0.146 0.000 0.893 234 L HN 0.242 nan 8.230 nan 0.000 0.432 235 I N -0.082 120.349 120.570 -0.231 0.000 2.113 235 I HA -0.333 3.841 4.170 0.007 0.000 0.238 235 I C 2.456 178.558 176.117 -0.026 0.000 1.070 235 I CA 1.502 62.544 61.300 -0.430 0.000 1.332 235 I CB -0.424 37.291 38.000 -0.474 0.000 1.044 235 I HN 0.240 nan 8.210 nan 0.000 0.402 236 L N 0.223 121.459 121.223 0.021 0.000 2.191 236 L HA -0.192 4.152 4.340 0.007 0.000 0.212 236 L C 2.732 179.653 176.870 0.085 0.000 1.103 236 L CA 1.083 55.971 54.840 0.080 0.000 0.769 236 L CB -0.697 41.405 42.059 0.072 0.000 0.908 236 L HN 0.268 nan 8.230 nan 0.000 0.438 237 R N 0.419 120.963 120.500 0.072 0.000 2.096 237 R HA -0.193 4.151 4.340 0.007 0.000 0.235 237 R C 2.288 178.637 176.300 0.081 0.000 1.127 237 R CA 1.447 57.586 56.100 0.065 0.000 0.968 237 R CB -0.084 30.247 30.300 0.050 0.000 0.861 237 R HN 0.239 nan 8.270 nan 0.000 0.440 238 L N -0.346 120.948 121.223 0.118 0.000 2.102 238 L HA 0.007 4.351 4.340 0.007 0.000 0.202 238 L C 1.804 178.816 176.870 0.237 0.000 1.076 238 L CA 1.366 56.277 54.840 0.118 0.000 0.761 238 L CB -0.117 42.021 42.059 0.130 0.000 0.921 238 L HN -0.065 nan 8.230 nan 0.000 0.444 239 V N 0.194 120.276 119.914 0.280 0.000 3.235 239 V HA 0.383 4.507 4.120 0.007 0.000 0.259 239 V C 0.945 177.175 176.094 0.227 0.000 1.133 239 V CA 0.674 63.175 62.300 0.335 0.000 1.128 239 V CB -0.919 31.150 31.823 0.410 0.000 0.757 239 V HN 0.754 nan 8.190 nan 0.000 0.469 240 G N 0.578 109.477 108.800 0.166 0.000 2.690 240 G HA2 -0.137 3.827 3.960 0.007 0.000 0.686 240 G HA3 -0.137 3.827 3.960 0.007 0.000 0.686 240 G C -0.136 174.821 174.900 0.095 0.000 1.277 240 G CA -0.427 44.740 45.100 0.113 0.000 0.799 240 G HN 0.557 nan 8.290 nan 0.000 0.613 241 T N 0.427 115.014 114.554 0.056 0.000 2.868 241 T HA 0.654 5.008 4.350 0.007 0.000 0.292 241 T C -1.873 172.836 174.700 0.016 0.000 1.028 241 T CA -0.826 61.292 62.100 0.030 0.000 1.059 241 T CB 1.307 70.171 68.868 -0.007 0.000 0.991 241 T HN 0.553 nan 8.240 nan 0.000 0.531 242 P HA 0.380 nan 4.420 nan 0.000 0.269 242 P C 0.360 177.632 177.300 -0.047 0.000 1.217 242 P CA -0.204 62.869 63.100 -0.044 0.000 0.783 242 P CB 0.158 31.775 31.700 -0.139 0.000 0.898 243 G N -0.382 108.396 108.800 -0.036 0.000 2.705 243 G HA2 0.463 4.427 3.960 0.007 0.000 0.299 243 G HA3 0.463 4.427 3.960 0.007 0.000 0.299 243 G C 0.885 175.756 174.900 -0.048 0.000 1.315 243 G CA -0.170 44.910 45.100 -0.032 0.000 1.045 243 G HN 0.439 nan 8.290 nan 0.000 0.517 244 A N -0.852 121.944 122.820 -0.039 0.000 1.917 244 A HA -0.106 4.218 4.320 0.007 0.000 0.219 244 A C 2.012 179.571 177.584 -0.042 0.000 1.182 244 A CA 2.348 54.359 52.037 -0.043 0.000 0.633 244 A CB -0.683 18.299 19.000 -0.031 0.000 0.819 244 A HN 0.765 nan 8.150 nan 0.000 0.448 245 E N -0.575 119.608 120.200 -0.029 0.000 2.038 245 E HA -0.183 4.171 4.350 0.007 0.000 0.195 245 E C 1.999 178.581 176.600 -0.030 0.000 1.000 245 E CA 1.217 57.604 56.400 -0.022 0.000 0.803 245 E CB -0.206 29.489 29.700 -0.007 0.000 0.750 245 E HN 0.524 nan 8.360 nan 0.000 0.448 246 L N 0.945 122.148 121.223 -0.034 0.000 2.056 246 L HA -0.152 4.192 4.340 0.007 0.000 0.207 246 L C 2.442 179.252 176.870 -0.100 0.000 1.078 246 L CA 1.122 55.934 54.840 -0.045 0.000 0.749 246 L CB -0.451 41.588 42.059 -0.034 0.000 0.901 246 L HN 0.353 nan 8.230 nan 0.000 0.433 247 L N 0.076 121.225 121.223 -0.123 0.000 2.043 247 L HA -0.314 4.030 4.340 0.007 0.000 0.212 247 L C 2.664 179.458 176.870 -0.127 0.000 1.075 247 L CA 1.561 56.302 54.840 -0.164 0.000 0.752 247 L CB -0.336 41.639 42.059 -0.139 0.000 0.891 247 L HN 0.266 nan 8.230 nan 0.000 0.432 248 K N -0.071 120.279 120.400 -0.084 0.000 2.113 248 K HA -0.218 4.106 4.320 0.007 0.000 0.208 248 K C 1.946 178.511 176.600 -0.058 0.000 1.047 248 K CA 1.512 57.762 56.287 -0.062 0.000 0.928 248 K CB -0.053 32.422 32.500 -0.043 0.000 0.716 248 K HN 0.325 nan 8.250 nan 0.000 0.446 249 K N 0.351 120.718 120.400 -0.055 0.000 2.432 249 K HA 0.049 4.374 4.320 0.007 0.000 0.196 249 K C 0.450 177.029 176.600 -0.034 0.000 1.038 249 K CA 0.348 56.615 56.287 -0.034 0.000 0.986 249 K CB 0.130 32.624 32.500 -0.009 0.000 0.782 249 K HN 0.129 nan 8.250 nan 0.000 0.485 250 I N 1.799 122.314 120.570 -0.092 0.000 2.379 250 I HA -0.073 4.101 4.170 0.007 0.000 0.290 250 I C 1.619 177.698 176.117 -0.063 0.000 1.063 250 I CA -0.140 61.093 61.300 -0.112 0.000 1.351 250 I CB 1.439 39.225 38.000 -0.355 0.000 1.410 250 I HN 0.094 nan 8.210 nan 0.000 0.505 251 S N 4.393 120.094 115.700 0.002 0.000 2.395 251 S HA -0.095 4.379 4.470 0.007 0.000 0.225 251 S C 1.238 175.844 174.600 0.010 0.000 1.027 251 S CA 0.560 58.762 58.200 0.005 0.000 0.965 251 S CB 0.083 63.297 63.200 0.022 0.000 0.812 251 S HN 0.690 nan 8.310 nan 0.000 0.482 252 S N 1.294 117.017 115.700 0.038 0.000 2.498 252 S HA 0.128 4.602 4.470 0.007 0.000 0.281 252 S C 0.874 175.481 174.600 0.012 0.000 1.265 252 S CA -0.229 57.996 58.200 0.042 0.000 1.071 252 S CB 0.616 63.868 63.200 0.087 0.000 0.894 252 S HN 0.600 nan 8.310 nan 0.000 0.491 253 E N 3.462 123.667 120.200 0.009 0.000 2.153 253 E HA -0.137 4.217 4.350 0.007 0.000 0.194 253 E C 1.606 178.213 176.600 0.012 0.000 0.988 253 E CA 1.501 57.900 56.400 -0.002 0.000 0.811 253 E CB -0.129 29.570 29.700 -0.000 0.000 0.746 253 E HN 0.904 nan 8.360 nan 0.000 0.466 254 S N 0.564 116.284 115.700 0.034 0.000 2.387 254 S HA -0.021 4.454 4.470 0.007 0.000 0.226 254 S C 2.172 176.829 174.600 0.096 0.000 1.026 254 S CA 0.697 58.931 58.200 0.057 0.000 0.972 254 S CB -0.088 63.143 63.200 0.053 0.000 0.814 254 S HN 0.380 nan 8.310 nan 0.000 0.477 255 A N 2.287 125.161 122.820 0.089 0.000 1.877 255 A HA -0.034 4.290 4.320 0.007 0.000 0.216 255 A C 2.298 179.867 177.584 -0.025 0.000 1.186 255 A CA 1.432 53.538 52.037 0.115 0.000 0.620 255 A CB -0.563 18.510 19.000 0.122 0.000 0.822 255 A HN 0.409 nan 8.150 nan 0.000 0.443 256 R N -0.489 119.958 120.500 -0.089 0.000 2.081 256 R HA -0.111 4.233 4.340 0.007 0.000 0.235 256 R C 2.111 178.362 176.300 -0.082 0.000 1.131 256 R CA 1.759 57.773 56.100 -0.143 0.000 0.960 256 R CB -0.392 29.838 30.300 -0.117 0.000 0.856 256 R HN 0.724 nan 8.270 nan 0.000 0.436 257 N N -1.041 117.649 118.700 -0.016 0.000 2.120 257 N HA -0.233 4.511 4.740 0.007 0.000 0.188 257 N C 1.479 177.011 175.510 0.037 0.000 1.024 257 N CA 1.248 54.304 53.050 0.009 0.000 0.852 257 N CB -0.136 38.374 38.487 0.038 0.000 1.003 257 N HN 0.181 nan 8.380 nan 0.000 0.424 258 Y N 1.768 122.057 120.300 -0.017 0.000 2.114 258 Y HA -0.153 4.402 4.550 0.007 0.000 0.284 258 Y C 2.008 177.907 175.900 -0.002 0.000 1.143 258 Y CA 1.129 59.234 58.100 0.009 0.000 1.135 258 Y CB -0.500 37.989 38.460 0.048 0.000 0.980 258 Y HN 0.007 nan 8.280 nan 0.000 0.499 259 I N 0.953 121.355 120.570 -0.280 0.000 2.145 259 I HA -0.392 3.782 4.170 0.007 0.000 0.244 259 I C 2.219 178.154 176.117 -0.303 0.000 1.075 259 I CA 1.838 62.929 61.300 -0.350 0.000 1.332 259 I CB -1.537 36.287 38.000 -0.293 0.000 1.033 259 I HN 0.454 nan 8.210 nan 0.000 0.410 260 Q N 0.093 119.770 119.800 -0.205 0.000 2.437 260 Q HA -0.107 4.237 4.340 0.007 0.000 0.210 260 Q C 2.048 177.968 176.000 -0.133 0.000 0.972 260 Q CA 1.440 57.157 55.803 -0.143 0.000 0.903 260 Q CB -0.158 28.522 28.738 -0.097 0.000 0.967 260 Q HN 0.649 nan 8.270 nan 0.000 0.486 261 S N -0.562 115.030 115.700 -0.178 0.000 2.562 261 S HA 0.037 4.511 4.470 0.007 0.000 0.221 261 S C 0.613 175.126 174.600 -0.145 0.000 0.975 261 S CA -0.161 57.966 58.200 -0.121 0.000 0.918 261 S CB 0.114 63.279 63.200 -0.059 0.000 0.772 261 S HN 0.043 nan 8.310 nan 0.000 0.531 262 L N 3.163 124.254 121.223 -0.221 0.000 2.326 262 L HA 0.397 4.741 4.340 0.007 0.000 0.278 262 L C 0.427 177.243 176.870 -0.091 0.000 1.092 262 L CA 0.168 54.910 54.840 -0.164 0.000 0.810 262 L CB 0.580 42.513 42.059 -0.211 0.000 1.153 262 L HN 0.090 nan 8.230 nan 0.000 0.439 263 T N 3.480 118.002 114.554 -0.053 0.000 2.902 263 T HA 0.114 4.468 4.350 0.007 0.000 0.301 263 T C 0.340 175.023 174.700 -0.029 0.000 1.012 263 T CA -0.318 61.763 62.100 -0.032 0.000 1.151 263 T CB 0.054 68.913 68.868 -0.016 0.000 0.946 263 T HN 0.442 nan 8.240 nan 0.000 0.542 264 Q N 2.489 122.273 119.800 -0.026 0.000 2.392 264 Q HA 0.433 4.778 4.340 0.007 0.000 0.262 264 Q C -0.258 175.741 176.000 -0.002 0.000 1.003 264 Q CA 0.247 56.040 55.803 -0.018 0.000 0.888 264 Q CB 0.568 29.295 28.738 -0.018 0.000 1.260 264 Q HN 0.580 nan 8.270 nan 0.000 0.435 265 M N 2.321 121.927 119.600 0.010 0.000 2.433 265 M HA 0.459 4.943 4.480 0.007 0.000 0.290 265 M C -2.509 173.813 176.300 0.037 0.000 1.173 265 M CA -2.121 53.193 55.300 0.024 0.000 0.905 265 M CB 2.424 35.042 32.600 0.030 0.000 1.692 265 M HN 0.420 nan 8.290 nan 0.000 0.462 266 P HA 0.261 nan 4.420 nan 0.000 0.278 266 P C -1.337 176.011 177.300 0.080 0.000 1.258 266 P CA -0.616 62.516 63.100 0.052 0.000 0.811 266 P CB 0.831 32.556 31.700 0.041 0.000 1.063 267 K N 1.353 121.812 120.400 0.098 0.000 2.414 267 K HA 0.148 4.472 4.320 0.007 0.000 0.272 267 K C 0.331 177.026 176.600 0.158 0.000 0.993 267 K CA -0.050 56.330 56.287 0.155 0.000 0.964 267 K CB 0.139 32.725 32.500 0.143 0.000 0.925 267 K HN 0.418 nan 8.250 nan 0.000 0.487 268 M N 2.165 121.892 119.600 0.212 0.000 2.197 268 M HA 0.064 4.548 4.480 0.007 0.000 0.305 268 M C 0.544 176.999 176.300 0.257 0.000 1.162 268 M CA -0.520 54.876 55.300 0.161 0.000 1.099 268 M CB 0.538 33.179 32.600 0.069 0.000 1.430 268 M HN 0.571 nan 8.290 nan 0.000 0.481 269 N N 0.755 119.555 118.700 0.166 0.000 2.411 269 N HA 0.086 4.830 4.740 0.007 0.000 0.259 269 N C -0.038 175.628 175.510 0.260 0.000 1.103 269 N CA 0.120 53.283 53.050 0.189 0.000 0.954 269 N CB 0.460 39.001 38.487 0.091 0.000 1.085 269 N HN 0.414 nan 8.380 nan 0.000 0.485 270 F N 2.372 122.338 119.950 0.026 0.000 2.293 270 F HA 0.007 4.539 4.527 0.007 0.000 0.300 270 F C 2.259 178.100 175.800 0.069 0.000 1.086 270 F CA 0.738 58.777 58.000 0.065 0.000 1.375 270 F CB -0.718 38.402 39.000 0.200 0.000 1.045 270 F HN 0.675 nan 8.300 nan 0.000 0.516 271 A N -0.407 122.553 122.820 0.234 0.000 2.121 271 A HA -0.157 4.167 4.320 0.007 0.000 0.218 271 A C 1.745 179.361 177.584 0.054 0.000 1.154 271 A CA 1.474 53.594 52.037 0.139 0.000 0.679 271 A CB -0.938 18.120 19.000 0.096 0.000 0.795 271 A HN 0.496 nan 8.150 nan 0.000 0.458 272 N N -1.143 117.565 118.700 0.013 0.000 2.280 272 N HA 0.155 4.899 4.740 0.007 0.000 0.192 272 N C 0.811 176.233 175.510 -0.146 0.000 1.109 272 N CA 0.198 53.220 53.050 -0.046 0.000 0.855 272 N CB 0.622 39.092 38.487 -0.028 0.000 0.974 272 N HN 0.286 nan 8.380 nan 0.000 0.482 273 V N -0.368 119.385 119.914 -0.267 0.000 2.721 273 V HA 0.123 4.247 4.120 0.007 0.000 0.236 273 V C 0.012 175.741 176.094 -0.608 0.000 1.116 273 V CA 0.623 62.578 62.300 -0.574 0.000 1.148 273 V CB -0.052 31.153 31.823 -1.029 0.000 0.886 273 V HN 0.059 nan 8.190 nan 0.000 0.490 274 F N 2.253 122.142 119.950 -0.102 0.000 2.640 274 F HA 0.388 4.919 4.527 0.007 0.000 0.354 274 F C 0.403 176.176 175.800 -0.046 0.000 1.213 274 F CA -0.910 57.041 58.000 -0.082 0.000 1.314 274 F CB -0.709 38.245 39.000 -0.077 0.000 1.679 274 F HN -0.035 nan 8.300 nan 0.000 0.622 275 I N 2.155 122.743 120.570 0.029 0.000 2.752 275 I HA 0.021 4.195 4.170 0.007 0.000 0.286 275 I C 1.419 177.562 176.117 0.042 0.000 1.180 275 I CA 0.497 61.811 61.300 0.022 0.000 1.404 275 I CB -0.563 37.429 38.000 -0.014 0.000 1.389 275 I HN 0.790 nan 8.210 nan 0.000 0.549 276 G N 4.829 113.654 108.800 0.042 0.000 2.143 276 G HA2 -0.176 3.788 3.960 0.007 0.000 0.249 276 G HA3 -0.176 3.788 3.960 0.007 0.000 0.249 276 G C 0.482 175.409 174.900 0.044 0.000 0.981 276 G CA 0.162 45.284 45.100 0.037 0.000 0.665 276 G HN 1.017 nan 8.290 nan 0.000 0.528 277 A N -0.199 122.656 122.820 0.059 0.000 2.322 277 A HA 0.629 4.953 4.320 0.007 0.000 0.269 277 A C 0.725 178.319 177.584 0.017 0.000 1.094 277 A CA 0.220 52.280 52.037 0.038 0.000 0.807 277 A CB 0.366 19.388 19.000 0.036 0.000 1.047 277 A HN 0.866 nan 8.150 nan 0.000 0.487 278 N N 1.605 120.308 118.700 0.006 0.000 2.365 278 N HA 0.011 4.755 4.740 0.007 0.000 0.265 278 N C -1.785 173.704 175.510 -0.035 0.000 1.288 278 N CA -1.270 51.788 53.050 0.013 0.000 0.869 278 N CB 0.693 39.227 38.487 0.078 0.000 1.071 278 N HN 0.177 nan 8.380 nan 0.000 0.480 279 P HA -0.173 nan 4.420 nan 0.000 0.217 279 P C 1.474 178.750 177.300 -0.040 0.000 1.148 279 P CA 0.655 63.751 63.100 -0.007 0.000 0.834 279 P CB 0.281 31.989 31.700 0.013 0.000 0.783 280 L N -0.818 120.386 121.223 -0.033 0.000 2.083 280 L HA -0.086 4.258 4.340 0.007 0.000 0.209 280 L C 2.340 178.999 176.870 -0.351 0.000 1.083 280 L CA 1.780 56.610 54.840 -0.016 0.000 0.752 280 L CB -1.910 40.241 42.059 0.153 0.000 0.899 280 L HN -0.083 nan 8.230 nan 0.000 0.433 281 A N -1.290 121.143 122.820 -0.645 0.000 1.898 281 A HA -0.129 4.195 4.320 0.007 0.000 0.216 281 A C 2.363 179.623 177.584 -0.541 0.000 1.181 281 A CA 1.718 53.143 52.037 -1.020 0.000 0.620 281 A CB -0.798 17.742 19.000 -0.767 0.000 0.819 281 A HN 0.211 nan 8.150 nan 0.000 0.442 282 V N 0.504 120.250 119.914 -0.281 0.000 2.295 282 V HA -0.298 3.826 4.120 0.007 0.000 0.246 282 V C 2.319 178.349 176.094 -0.108 0.000 1.049 282 V CA 2.572 64.814 62.300 -0.097 0.000 1.024 282 V CB -0.905 30.950 31.823 0.054 0.000 0.648 282 V HN 0.751 nan 8.190 nan 0.000 0.447 283 D N -0.385 119.947 120.400 -0.113 0.000 2.104 283 D HA -0.206 4.438 4.640 0.007 0.000 0.194 283 D C 1.987 178.184 176.300 -0.172 0.000 0.994 283 D CA 1.314 55.268 54.000 -0.076 0.000 0.830 283 D CB -0.115 40.721 40.800 0.060 0.000 0.959 283 D HN 0.267 nan 8.370 nan 0.000 0.452 284 L N 0.326 121.312 121.223 -0.396 0.000 2.046 284 L HA -0.071 4.274 4.340 0.007 0.000 0.208 284 L C 2.072 178.763 176.870 -0.298 0.000 1.077 284 L CA 1.499 56.003 54.840 -0.561 0.000 0.747 284 L CB -0.663 40.928 42.059 -0.779 0.000 0.896 284 L HN 0.238 nan 8.230 nan 0.000 0.432 285 L N -0.587 120.471 121.223 -0.275 0.000 2.079 285 L HA -0.248 4.096 4.340 0.007 0.000 0.210 285 L C 2.495 179.327 176.870 -0.064 0.000 1.081 285 L CA 1.673 56.419 54.840 -0.157 0.000 0.752 285 L CB -0.561 41.382 42.059 -0.195 0.000 0.896 285 L HN 0.420 nan 8.230 nan 0.000 0.433 286 E N -0.112 119.957 120.200 -0.219 0.000 2.204 286 E HA -0.191 4.163 4.350 0.007 0.000 0.194 286 E C 1.898 178.368 176.600 -0.216 0.000 0.989 286 E CA 0.768 56.884 56.400 -0.474 0.000 0.824 286 E CB 0.040 29.380 29.700 -0.600 0.000 0.756 286 E HN 0.507 nan 8.360 nan 0.000 0.477 287 K N -0.138 120.185 120.400 -0.127 0.000 2.361 287 K HA 0.100 4.424 4.320 0.007 0.000 0.196 287 K C 1.846 178.447 176.600 0.001 0.000 1.039 287 K CA 0.454 56.715 56.287 -0.043 0.000 1.001 287 K CB 0.176 32.668 32.500 -0.014 0.000 0.795 287 K HN 0.099 nan 8.250 nan 0.000 0.495 288 M N 0.178 119.765 119.600 -0.022 0.000 2.412 288 M HA 0.009 4.493 4.480 0.007 0.000 0.263 288 M C 0.101 176.419 176.300 0.031 0.000 1.122 288 M CA 0.706 56.013 55.300 0.012 0.000 1.179 288 M CB 0.442 33.018 32.600 -0.040 0.000 1.335 288 M HN -0.058 nan 8.290 nan 0.000 0.465 289 L N 1.638 122.841 121.223 -0.034 0.000 2.583 289 L HA 0.219 4.563 4.340 0.007 0.000 0.239 289 L C -0.604 176.394 176.870 0.213 0.000 1.347 289 L CA -0.044 54.724 54.840 -0.120 0.000 1.246 289 L CB -1.166 40.825 42.059 -0.114 0.000 1.496 289 L HN -0.087 nan 8.230 nan 0.000 0.413 290 V N 1.211 121.324 119.914 0.332 0.000 2.394 290 V HA 0.140 4.264 4.120 0.007 0.000 0.282 290 V C 1.318 177.681 176.094 0.447 0.000 1.031 290 V CA -0.590 61.895 62.300 0.308 0.000 0.881 290 V CB 2.232 34.167 31.823 0.188 0.000 0.982 290 V HN 0.384 nan 8.190 nan 0.000 0.451 291 L N 3.209 124.656 121.223 0.374 0.000 1.990 291 L HA -0.065 4.279 4.340 0.007 0.000 0.213 291 L C 1.305 178.290 176.870 0.192 0.000 1.072 291 L CA 1.831 56.842 54.840 0.284 0.000 0.755 291 L CB -0.430 41.761 42.059 0.220 0.000 0.889 291 L HN 0.804 nan 8.230 nan 0.000 0.432 292 D N -1.137 119.360 120.400 0.161 0.000 2.346 292 D HA -0.009 4.636 4.640 0.007 0.000 0.260 292 D C 1.448 177.829 176.300 0.135 0.000 1.252 292 D CA 0.778 54.853 54.000 0.124 0.000 0.895 292 D CB 1.124 41.977 40.800 0.089 0.000 1.097 292 D HN 0.401 nan 8.370 nan 0.000 0.489 293 S N 2.788 118.564 115.700 0.127 0.000 2.419 293 S HA -0.198 4.276 4.470 0.007 0.000 0.235 293 S C 1.249 175.916 174.600 0.110 0.000 1.019 293 S CA 0.738 59.016 58.200 0.130 0.000 0.982 293 S CB 0.056 63.326 63.200 0.115 0.000 0.789 293 S HN 0.452 nan 8.310 nan 0.000 0.490 294 D N 1.821 122.275 120.400 0.090 0.000 2.219 294 D HA 0.025 4.669 4.640 0.007 0.000 0.205 294 D C 1.475 177.818 176.300 0.072 0.000 0.970 294 D CA 0.998 55.040 54.000 0.070 0.000 0.851 294 D CB -0.104 40.729 40.800 0.054 0.000 0.943 294 D HN 0.562 nan 8.370 nan 0.000 0.488 295 K N -0.182 120.268 120.400 0.084 0.000 2.372 295 K HA 0.168 4.492 4.320 0.007 0.000 0.200 295 K C 0.651 177.307 176.600 0.093 0.000 1.022 295 K CA -0.258 56.076 56.287 0.079 0.000 1.125 295 K CB 0.925 33.468 32.500 0.071 0.000 0.855 295 K HN -0.079 nan 8.250 nan 0.000 0.524 296 R N 1.012 121.582 120.500 0.116 0.000 2.679 296 R HA 0.207 4.551 4.340 0.007 0.000 0.269 296 R C 0.122 176.486 176.300 0.106 0.000 1.076 296 R CA -0.193 55.986 56.100 0.132 0.000 1.160 296 R CB 0.527 30.933 30.300 0.176 0.000 1.054 296 R HN 0.095 nan 8.270 nan 0.000 0.507 297 I N 0.969 121.600 120.570 0.102 0.000 2.638 297 I HA 0.044 4.218 4.170 0.007 0.000 0.286 297 I C 0.427 176.608 176.117 0.107 0.000 1.088 297 I CA 0.099 61.456 61.300 0.096 0.000 1.397 297 I CB 1.118 39.171 38.000 0.088 0.000 1.414 297 I HN 0.705 nan 8.210 nan 0.000 0.566 298 T N 3.535 118.151 114.554 0.104 0.000 2.918 298 T HA 0.466 4.820 4.350 0.007 0.000 0.283 298 T C 1.036 175.806 174.700 0.117 0.000 1.001 298 T CA -0.185 61.986 62.100 0.119 0.000 1.041 298 T CB 1.700 70.632 68.868 0.106 0.000 1.028 298 T HN 0.713 nan 8.240 nan 0.000 0.511 299 A N 1.791 124.693 122.820 0.137 0.000 1.892 299 A HA 0.058 4.382 4.320 0.007 0.000 0.218 299 A C 2.642 180.250 177.584 0.040 0.000 1.188 299 A CA 2.174 54.248 52.037 0.062 0.000 0.631 299 A CB -1.597 17.411 19.000 0.013 0.000 0.822 299 A HN 1.330 nan 8.150 nan 0.000 0.447 300 A N -1.202 121.658 122.820 0.067 0.000 1.933 300 A HA -0.214 4.110 4.320 0.007 0.000 0.218 300 A C 2.139 179.765 177.584 0.069 0.000 1.175 300 A CA 1.715 53.792 52.037 0.068 0.000 0.628 300 A CB -0.508 18.544 19.000 0.086 0.000 0.814 300 A HN 0.684 nan 8.150 nan 0.000 0.444 301 Q N -0.910 118.940 119.800 0.082 0.000 2.046 301 Q HA -0.060 4.284 4.340 0.007 0.000 0.200 301 Q C 2.483 178.554 176.000 0.118 0.000 0.975 301 Q CA 1.199 57.057 55.803 0.092 0.000 0.836 301 Q CB -0.346 28.451 28.738 0.098 0.000 0.896 301 Q HN 0.679 nan 8.270 nan 0.000 0.428 302 A N 0.913 123.813 122.820 0.132 0.000 1.940 302 A HA -0.179 4.145 4.320 0.007 0.000 0.219 302 A C 2.026 179.786 177.584 0.292 0.000 1.176 302 A CA 1.134 53.300 52.037 0.214 0.000 0.631 302 A CB -0.719 18.382 19.000 0.168 0.000 0.814 302 A HN 0.315 nan 8.150 nan 0.000 0.446 303 L N -1.073 120.203 121.223 0.087 0.000 2.191 303 L HA -0.169 4.175 4.340 0.007 0.000 0.212 303 L C 2.745 179.477 176.870 -0.230 0.000 1.103 303 L CA 0.896 55.727 54.840 -0.014 0.000 0.769 303 L CB -0.287 41.736 42.059 -0.060 0.000 0.908 303 L HN 0.448 nan 8.230 nan 0.000 0.438 304 A N -2.370 120.323 122.820 -0.212 0.000 2.218 304 A HA -0.060 4.265 4.320 0.007 0.000 0.209 304 A C 0.986 178.578 177.584 0.013 0.000 1.168 304 A CA -0.104 51.761 52.037 -0.288 0.000 0.804 304 A CB -0.572 18.383 19.000 -0.074 0.000 0.834 304 A HN 0.307 nan 8.150 nan 0.000 0.482 305 H N 0.062 119.191 119.070 0.097 0.000 2.897 305 H HA 0.213 4.773 4.556 0.007 0.000 0.347 305 H C 1.491 176.882 175.328 0.105 0.000 1.068 305 H CA 0.515 56.633 56.048 0.117 0.000 1.426 305 H CB 1.041 30.893 29.762 0.150 0.000 1.410 305 H HN 0.196 nan 8.280 nan 0.000 0.597 306 A N 5.125 127.790 122.820 -0.260 0.000 2.139 306 A HA -0.255 4.069 4.320 0.007 0.000 0.221 306 A C 1.920 179.563 177.584 0.100 0.000 1.159 306 A CA 1.260 53.259 52.037 -0.064 0.000 0.662 306 A CB -0.773 18.139 19.000 -0.147 0.000 0.796 306 A HN 0.835 nan 8.150 nan 0.000 0.463 307 Y N -0.681 119.670 120.300 0.084 0.000 2.293 307 Y HA -0.087 4.467 4.550 0.007 0.000 0.291 307 Y C 0.784 176.505 175.900 -0.298 0.000 1.137 307 Y CA 0.881 58.881 58.100 -0.167 0.000 1.202 307 Y CB -0.243 37.978 38.460 -0.399 0.000 0.990 307 Y HN 0.305 nan 8.280 nan 0.000 0.537 308 F N -0.887 119.150 119.950 0.145 0.000 2.668 308 F HA 0.409 4.940 4.527 0.007 0.000 0.297 308 F C 1.913 177.789 175.800 0.128 0.000 1.124 308 F CA 0.062 58.134 58.000 0.121 0.000 1.353 308 F CB -0.890 38.282 39.000 0.286 0.000 0.992 308 F HN 0.044 nan 8.300 nan 0.000 0.524 309 A N -0.078 122.843 122.820 0.170 0.000 1.986 309 A HA -0.273 4.052 4.320 0.007 0.000 0.220 309 A C 2.258 179.857 177.584 0.024 0.000 1.171 309 A CA 1.818 53.924 52.037 0.115 0.000 0.640 309 A CB -0.546 18.482 19.000 0.048 0.000 0.811 309 A HN 0.482 nan 8.150 nan 0.000 0.451 310 Q N -2.458 117.294 119.800 -0.080 0.000 2.435 310 Q HA -0.102 4.242 4.340 0.007 0.000 0.207 310 Q C 0.725 176.368 176.000 -0.596 0.000 0.956 310 Q CA 1.162 56.751 55.803 -0.358 0.000 0.917 310 Q CB 0.054 28.474 28.738 -0.531 0.000 0.997 310 Q HN 0.880 nan 8.270 nan 0.000 0.497 311 Y N -2.657 117.557 120.300 -0.142 0.000 2.452 311 Y HA 0.159 4.713 4.550 0.007 0.000 0.262 311 Y C 0.627 176.348 175.900 -0.298 0.000 1.089 311 Y CA -0.535 57.346 58.100 -0.367 0.000 1.262 311 Y CB 0.155 38.122 38.460 -0.822 0.000 1.236 311 Y HN 0.085 nan 8.280 nan 0.000 0.512 312 H N 2.155 121.239 119.070 0.023 0.000 2.964 312 H HA 0.098 4.659 4.556 0.007 0.000 0.328 312 H C -0.934 174.479 175.328 0.142 0.000 1.030 312 H CA 0.913 57.089 56.048 0.213 0.000 1.445 312 H CB 0.685 30.616 29.762 0.281 0.000 1.449 312 H HN 0.197 nan 8.280 nan 0.000 0.581 313 D N 7.363 127.593 120.400 -0.285 0.000 2.354 313 D HA 0.116 4.760 4.640 0.007 0.000 0.230 313 D C -2.116 174.030 176.300 -0.256 0.000 1.361 313 D CA -1.753 52.086 54.000 -0.268 0.000 0.992 313 D CB 1.518 42.285 40.800 -0.055 0.000 1.409 313 D HN 0.268 nan 8.370 nan 0.000 0.573 314 P HA -0.089 nan 4.420 nan 0.000 0.220 314 P C 0.450 177.759 177.300 0.015 0.000 1.144 314 P CA 0.828 63.885 63.100 -0.072 0.000 0.800 314 P CB 0.495 32.191 31.700 -0.007 0.000 0.772 315 D N -0.890 119.504 120.400 -0.010 0.000 2.347 315 D HA -0.054 4.590 4.640 0.007 0.000 0.213 315 D C 0.760 177.081 176.300 0.035 0.000 0.985 315 D CA 0.821 54.832 54.000 0.019 0.000 0.879 315 D CB -0.208 40.596 40.800 0.006 0.000 0.919 315 D HN 0.145 nan 8.370 nan 0.000 0.526 316 D N 0.453 120.882 120.400 0.048 0.000 2.593 316 D HA 0.067 4.711 4.640 0.007 0.000 0.241 316 D C -0.598 175.766 176.300 0.107 0.000 1.257 316 D CA -0.053 53.987 54.000 0.067 0.000 0.828 316 D CB 0.127 40.971 40.800 0.074 0.000 1.049 316 D HN -0.003 nan 8.370 nan 0.000 0.490 317 E N 1.522 121.796 120.200 0.124 0.000 3.303 317 E HA 0.219 4.573 4.350 0.007 0.000 0.215 317 E C -2.346 174.362 176.600 0.179 0.000 1.181 317 E CA -1.596 54.901 56.400 0.162 0.000 0.998 317 E CB 1.554 31.359 29.700 0.175 0.000 1.312 317 E HN 0.190 nan 8.360 nan 0.000 0.412 318 P HA 0.007 nan 4.420 nan 0.000 0.272 318 P C 0.034 177.544 177.300 0.350 0.000 1.230 318 P CA -0.234 63.003 63.100 0.229 0.000 0.788 318 P CB 1.044 32.851 31.700 0.179 0.000 0.949 319 V N -1.669 118.409 119.914 0.274 0.000 3.193 319 V HA 0.888 5.012 4.120 0.007 0.000 0.320 319 V C 0.063 176.248 176.094 0.151 0.000 1.112 319 V CA -1.191 61.226 62.300 0.195 0.000 1.026 319 V CB 0.763 32.641 31.823 0.091 0.000 1.128 319 V HN 0.742 nan 8.190 nan 0.000 0.452 320 A N 0.162 122.851 122.820 -0.219 0.000 2.252 320 A HA 0.633 4.957 4.320 0.007 0.000 0.305 320 A C -0.200 177.386 177.584 0.003 0.000 1.097 320 A CA -0.583 51.275 52.037 -0.298 0.000 0.849 320 A CB 0.246 18.791 19.000 -0.759 0.000 1.142 320 A HN 0.942 nan 8.150 nan 0.000 0.499 321 D N 0.473 120.926 120.400 0.088 0.000 2.358 321 D HA 0.403 5.048 4.640 0.007 0.000 0.244 321 D C -2.347 174.111 176.300 0.263 0.000 1.163 321 D CA -0.849 53.242 54.000 0.152 0.000 0.945 321 D CB 0.173 41.051 40.800 0.130 0.000 1.152 321 D HN 0.185 nan 8.370 nan 0.000 0.451 322 P HA 0.009 nan 4.420 nan 0.000 0.268 322 P C -0.831 176.585 177.300 0.194 0.000 1.204 322 P CA 0.077 63.272 63.100 0.158 0.000 0.768 322 P CB 0.100 31.859 31.700 0.099 0.000 0.842 323 Y N 2.813 123.037 120.300 -0.127 0.000 2.334 323 Y HA 0.225 4.780 4.550 0.007 0.000 0.336 323 Y C -0.035 175.789 175.900 -0.125 0.000 0.960 323 Y CA -0.978 56.912 58.100 -0.349 0.000 1.164 323 Y CB 0.667 38.792 38.460 -0.558 0.000 1.155 323 Y HN 0.325 nan 8.280 nan 0.000 0.478 324 D N 6.266 126.401 120.400 -0.440 0.000 2.352 324 D HA 0.050 4.694 4.640 0.007 0.000 0.245 324 D C -0.386 175.598 176.300 -0.527 0.000 1.224 324 D CA 0.098 53.897 54.000 -0.335 0.000 0.879 324 D CB 0.865 41.607 40.800 -0.096 0.000 1.057 324 D HN 0.812 nan 8.370 nan 0.000 0.491 325 Q N 1.965 121.448 119.800 -0.528 0.000 2.189 325 Q HA 0.069 4.413 4.340 0.007 0.000 0.221 325 Q C 1.570 177.235 176.000 -0.560 0.000 0.848 325 Q CA -0.268 55.123 55.803 -0.686 0.000 1.007 325 Q CB 0.569 28.982 28.738 -0.542 0.000 1.116 325 Q HN 0.383 nan 8.270 nan 0.000 0.481 326 S N 1.499 117.060 115.700 -0.232 0.000 2.374 326 S HA -0.244 4.230 4.470 0.007 0.000 0.227 326 S C 1.748 176.309 174.600 -0.065 0.000 1.037 326 S CA 1.669 59.804 58.200 -0.108 0.000 1.024 326 S CB -0.814 62.382 63.200 -0.007 0.000 0.861 326 S HN 0.678 nan 8.310 nan 0.000 0.456 327 F N 2.638 122.651 119.950 0.104 0.000 2.184 327 F HA -0.088 4.444 4.527 0.007 0.000 0.301 327 F C 1.961 177.949 175.800 0.312 0.000 1.076 327 F CA 1.223 59.372 58.000 0.248 0.000 1.295 327 F CB -0.870 38.397 39.000 0.445 0.000 1.026 327 F HN -0.002 nan 8.300 nan 0.000 0.494 328 E N 1.023 120.879 120.200 -0.573 0.000 2.171 328 E HA -0.173 4.181 4.350 0.007 0.000 0.197 328 E C 2.056 178.657 176.600 0.001 0.000 0.997 328 E CA 1.627 57.846 56.400 -0.302 0.000 0.810 328 E CB -0.530 28.896 29.700 -0.457 0.000 0.738 328 E HN 0.672 nan 8.360 nan 0.000 0.467 329 S N -0.264 115.438 115.700 0.004 0.000 2.572 329 S HA 0.230 4.705 4.470 0.007 0.000 0.228 329 S C 0.750 175.406 174.600 0.092 0.000 0.963 329 S CA -0.454 57.773 58.200 0.044 0.000 0.939 329 S CB 0.494 63.693 63.200 -0.001 0.000 0.804 329 S HN -0.058 nan 8.310 nan 0.000 0.480 330 R N 2.060 122.664 120.500 0.173 0.000 2.390 330 R HA 0.331 4.675 4.340 0.007 0.000 0.291 330 R C -1.117 175.266 176.300 0.139 0.000 1.070 330 R CA -0.164 56.004 56.100 0.114 0.000 1.014 330 R CB 0.444 30.779 30.300 0.059 0.000 1.007 330 R HN 0.021 nan 8.270 nan 0.000 0.466 331 D N 4.519 124.933 120.400 0.023 0.000 2.473 331 D HA 0.246 4.890 4.640 0.007 0.000 0.226 331 D C -1.023 175.215 176.300 -0.102 0.000 1.089 331 D CA -0.156 53.861 54.000 0.028 0.000 0.883 331 D CB 0.224 41.037 40.800 0.021 0.000 1.029 331 D HN 0.320 nan 8.370 nan 0.000 0.517 332 L N 2.255 123.358 121.223 -0.201 0.000 2.301 332 L HA 0.542 4.886 4.340 0.007 0.000 0.264 332 L C 0.198 176.932 176.870 -0.227 0.000 1.016 332 L CA -1.234 53.346 54.840 -0.433 0.000 0.821 332 L CB 1.629 43.014 42.059 -1.122 0.000 1.346 332 L HN 0.096 nan 8.230 nan 0.000 0.429 333 L N 0.858 121.964 121.223 -0.194 0.000 2.468 333 L HA 0.301 4.645 4.340 0.007 0.000 0.254 333 L C 1.366 178.250 176.870 0.023 0.000 1.171 333 L CA -0.307 54.507 54.840 -0.043 0.000 0.809 333 L CB 0.678 42.706 42.059 -0.052 0.000 1.155 333 L HN 0.541 nan 8.230 nan 0.000 0.473 334 I N 0.254 120.894 120.570 0.117 0.000 2.118 334 I HA -0.312 3.863 4.170 0.007 0.000 0.241 334 I C 1.635 177.799 176.117 0.078 0.000 1.070 334 I CA 1.590 62.999 61.300 0.182 0.000 1.327 334 I CB -0.211 37.874 38.000 0.141 0.000 1.034 334 I HN 0.785 nan 8.210 nan 0.000 0.405 335 D N 0.543 120.938 120.400 -0.007 0.000 2.221 335 D HA -0.181 4.463 4.640 0.007 0.000 0.204 335 D C 2.094 178.336 176.300 -0.096 0.000 0.982 335 D CA 1.081 55.041 54.000 -0.067 0.000 0.857 335 D CB -0.075 40.687 40.800 -0.064 0.000 0.934 335 D HN 0.434 nan 8.370 nan 0.000 0.475 336 E N -1.346 118.775 120.200 -0.132 0.000 2.170 336 E HA -0.067 4.287 4.350 0.007 0.000 0.191 336 E C 1.829 178.279 176.600 -0.250 0.000 0.981 336 E CA 0.302 56.563 56.400 -0.232 0.000 0.830 336 E CB -0.055 29.438 29.700 -0.344 0.000 0.775 336 E HN 0.441 nan 8.360 nan 0.000 0.470 337 W N 1.517 122.748 121.300 -0.115 0.000 2.418 337 W HA -0.069 4.595 4.660 0.007 0.000 0.292 337 W C 2.428 178.879 176.519 -0.113 0.000 1.213 337 W CA 0.492 57.760 57.345 -0.129 0.000 1.283 337 W CB 0.230 29.687 29.460 -0.004 0.000 1.119 337 W HN -0.042 nan 8.180 nan 0.000 0.542 338 K N 0.009 120.420 120.400 0.018 0.000 2.148 338 K HA -0.172 4.152 4.320 0.007 0.000 0.204 338 K C 2.276 178.850 176.600 -0.045 0.000 1.050 338 K CA 1.589 57.665 56.287 -0.352 0.000 0.942 338 K CB -0.322 31.821 32.500 -0.594 0.000 0.724 338 K HN -0.060 nan 8.250 nan 0.000 0.446 339 S N -0.025 115.658 115.700 -0.028 0.000 2.371 339 S HA -0.050 4.424 4.470 0.007 0.000 0.224 339 S C 1.761 176.405 174.600 0.074 0.000 1.029 339 S CA 0.588 58.801 58.200 0.021 0.000 0.978 339 S CB -0.157 63.019 63.200 -0.040 0.000 0.833 339 S HN 0.239 nan 8.310 nan 0.000 0.466 340 L N 1.740 122.968 121.223 0.009 0.000 2.046 340 L HA -0.018 4.326 4.340 0.007 0.000 0.208 340 L C 2.651 179.672 176.870 0.252 0.000 1.077 340 L CA 1.898 56.743 54.840 0.009 0.000 0.747 340 L CB -1.672 40.170 42.059 -0.361 0.000 0.896 340 L HN 0.309 nan 8.230 nan 0.000 0.432 341 T N -1.869 112.901 114.554 0.361 0.000 2.708 341 T HA -0.263 4.091 4.350 0.007 0.000 0.266 341 T C 1.752 176.609 174.700 0.261 0.000 1.037 341 T CA 1.629 64.022 62.100 0.489 0.000 1.146 341 T CB -0.460 68.800 68.868 0.654 0.000 0.865 341 T HN 0.303 nan 8.240 nan 0.000 0.435 342 Y N 2.339 122.610 120.300 -0.049 0.000 2.165 342 Y HA -0.208 4.346 4.550 0.006 0.000 0.286 342 Y C 2.028 177.799 175.900 -0.217 0.000 1.155 342 Y CA 1.491 59.286 58.100 -0.509 0.000 1.164 342 Y CB -0.497 37.606 38.460 -0.596 0.000 0.978 342 Y HN 0.167 nan 8.280 nan 0.000 0.513 343 D N -0.103 120.271 120.400 -0.044 0.000 2.117 343 D HA -0.160 4.484 4.640 0.007 0.000 0.197 343 D C 2.062 178.326 176.300 -0.059 0.000 0.987 343 D CA 1.487 55.443 54.000 -0.073 0.000 0.829 343 D CB -0.195 40.630 40.800 0.041 0.000 0.961 343 D HN 0.422 nan 8.370 nan 0.000 0.460 344 E N 0.365 120.591 120.200 0.043 0.000 2.106 344 E HA -0.082 4.272 4.350 0.007 0.000 0.192 344 E C 2.375 179.000 176.600 0.043 0.000 0.984 344 E CA 0.206 56.650 56.400 0.074 0.000 0.806 344 E CB -0.219 29.552 29.700 0.118 0.000 0.750 344 E HN 0.155 nan 8.360 nan 0.000 0.458 345 V N 1.796 121.687 119.914 -0.039 0.000 2.229 345 V HA -0.235 3.889 4.120 0.007 0.000 0.243 345 V C 2.390 178.436 176.094 -0.081 0.000 1.042 345 V CA 1.216 63.485 62.300 -0.053 0.000 1.000 345 V CB -0.391 31.346 31.823 -0.144 0.000 0.637 345 V HN 0.191 nan 8.190 nan 0.000 0.446 346 I N 1.373 121.749 120.570 -0.324 0.000 2.185 346 I HA -0.230 3.944 4.170 0.007 0.000 0.246 346 I C 2.456 178.519 176.117 -0.090 0.000 1.088 346 I CA 2.494 63.614 61.300 -0.300 0.000 1.347 346 I CB -1.415 36.252 38.000 -0.555 0.000 1.041 346 I HN 0.567 nan 8.210 nan 0.000 0.415 347 S N -0.435 115.235 115.700 -0.049 0.000 2.593 347 S HA -0.014 4.460 4.470 0.007 0.000 0.217 347 S C 0.733 175.361 174.600 0.046 0.000 0.966 347 S CA -0.520 57.681 58.200 0.000 0.000 0.914 347 S CB -0.937 62.263 63.200 -0.001 0.000 0.776 347 S HN 0.217 nan 8.310 nan 0.000 0.523 348 F N 2.962 122.902 119.950 -0.016 0.000 2.590 348 F HA 0.332 4.864 4.527 0.007 0.000 0.389 348 F C -0.276 175.533 175.800 0.016 0.000 1.049 348 F CA -0.292 57.714 58.000 0.010 0.000 1.199 348 F CB 0.469 39.487 39.000 0.029 0.000 1.058 348 F HN -0.065 nan 8.300 nan 0.000 0.556 349 V N 9.147 128.545 119.914 -0.859 0.000 2.357 349 V HA 0.314 4.438 4.120 0.007 0.000 0.284 349 V C -1.816 173.669 176.094 -1.014 0.000 1.018 349 V CA -1.687 60.223 62.300 -0.649 0.000 0.841 349 V CB 1.252 32.876 31.823 -0.331 0.000 0.991 349 V HN 0.686 nan 8.190 nan 0.000 0.437 350 P HA 0.223 nan 4.420 nan 0.000 0.269 350 P C -2.590 174.619 177.300 -0.151 0.000 1.209 350 P CA -1.095 61.820 63.100 -0.308 0.000 0.776 350 P CB -0.044 31.670 31.700 0.024 0.000 0.876 351 P HA 0.199 nan 4.420 nan 0.000 0.271 351 P C -2.134 175.172 177.300 0.010 0.000 1.216 351 P CA -1.073 62.032 63.100 0.008 0.000 0.776 351 P CB -0.841 30.905 31.700 0.076 0.000 0.881 352 P HA 0.219 nan 4.420 nan 0.000 0.272 352 P C -0.627 176.682 177.300 0.014 0.000 1.230 352 P CA -0.166 62.934 63.100 -0.001 0.000 0.788 352 P CB 0.763 32.457 31.700 -0.010 0.000 0.949 353 L N 2.246 123.475 121.223 0.011 0.000 2.272 353 L HA 0.416 4.760 4.340 0.007 0.000 0.284 353 L C 0.507 177.383 176.870 0.011 0.000 1.045 353 L CA 0.285 55.135 54.840 0.016 0.000 0.842 353 L CB 0.249 42.315 42.059 0.012 0.000 1.224 353 L HN 0.380 nan 8.230 nan 0.000 0.430 354 D N 0.000 120.407 120.400 0.012 0.000 6.856 354 D HA 0.000 4.644 4.640 0.007 0.000 0.175 354 D CA 0.000 54.004 54.000 0.007 0.000 0.868 354 D CB 0.000 40.801 40.800 0.002 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683