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 2c0r_1_B DATA FIRST_RESID 2 DATA SEQUENCE SERAYNFNAG PAALPLEVLE RAQAEFVDYQ HTGMSIMEMS HRGAVYEAVH DATA SEQUENCE NEAQARLLAL LGNPTGYKVL FIQGGASTQF AMIPMNFLKE GQTANYVMTG DATA SEQUENCE SWASKALKEA KLIGDTHVAA SSEASNYMTL PKLQEIQLQD NAAYLHLTSN DATA SEQUENCE ETIEGAQFKA FPDTGSVPLI GDMSSDILSR PFDLNQFGLV YAGAQKNLGP DATA SEQUENCE SGVTVVIVRE DLVAESPKHL PTMLRYDTYV KNNSLYNTPP SFGIYMVNEV DATA SEQUENCE LKWIEERGGL EGVQQANRKK ASLIYDAIDQ SGGFYRGCVD VDSRSDMNIT DATA SEQUENCE FRLASEELEK EFVKASEQEG FVGLKGHRSV GGLRASIYNA VPYESCEALV DATA SEQUENCE QFMEHFKRSR G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.555 174.600 -0.074 0.000 1.055 2 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 2 S CB 0.000 63.171 63.200 -0.048 0.000 0.593 3 E N -0.268 119.869 120.200 -0.106 0.000 2.436 3 E HA 0.275 4.626 4.350 0.001 0.000 0.167 3 E C -0.827 175.669 176.600 -0.175 0.000 0.898 3 E CA -0.182 56.138 56.400 -0.133 0.000 1.354 3 E CB 0.444 30.087 29.700 -0.094 0.000 1.442 3 E HN 0.381 nan 8.360 nan 0.000 0.671 4 R N 1.108 121.504 120.500 -0.174 0.000 2.522 4 R HA 0.376 4.717 4.340 0.001 0.000 0.284 4 R C 0.184 176.295 176.300 -0.315 0.000 1.032 4 R CA 0.409 56.397 56.100 -0.187 0.000 1.049 4 R CB 0.448 30.670 30.300 -0.130 0.000 0.956 4 R HN 0.173 nan 8.270 nan 0.000 0.422 5 A N 3.952 126.611 122.820 -0.268 0.000 2.466 5 A HA 0.056 4.377 4.320 0.001 0.000 0.238 5 A C -0.402 176.992 177.584 -0.317 0.000 1.074 5 A CA -0.036 51.801 52.037 -0.333 0.000 0.774 5 A CB -0.015 18.879 19.000 -0.177 0.000 1.015 5 A HN 0.696 nan 8.150 nan 0.000 0.498 6 Y N 1.869 122.026 120.300 -0.238 0.000 2.616 6 Y HA 0.100 4.651 4.550 0.001 0.000 0.350 6 Y C 0.843 176.718 175.900 -0.042 0.000 1.119 6 Y CA -0.358 57.617 58.100 -0.208 0.000 1.467 6 Y CB 0.061 38.262 38.460 -0.432 0.000 1.287 6 Y HN 0.681 nan 8.280 nan 0.000 0.504 7 N N 3.266 121.930 118.700 -0.060 0.000 2.437 7 N HA 0.129 4.870 4.740 0.001 0.000 0.243 7 N C -0.805 174.588 175.510 -0.195 0.000 1.041 7 N CA -0.286 52.739 53.050 -0.041 0.000 0.940 7 N CB 0.079 38.527 38.487 -0.065 0.000 1.133 7 N HN 0.396 nan 8.380 nan 0.000 0.506 8 F N 1.241 121.266 119.950 0.125 0.000 2.684 8 F HA 0.319 4.847 4.527 0.002 0.000 0.298 8 F C 0.756 176.610 175.800 0.090 0.000 1.120 8 F CA -0.673 57.386 58.000 0.097 0.000 1.332 8 F CB -0.291 38.780 39.000 0.117 0.000 0.986 8 F HN 0.320 nan 8.300 nan 0.000 0.524 9 N N 0.340 119.164 118.700 0.207 0.000 2.407 9 N HA 0.142 4.883 4.740 0.001 0.000 0.250 9 N C 1.061 176.723 175.510 0.254 0.000 1.236 9 N CA 0.270 53.435 53.050 0.192 0.000 0.879 9 N CB 0.886 39.458 38.487 0.141 0.000 1.088 9 N HN 0.263 nan 8.380 nan 0.000 0.450 10 A N 1.846 124.822 122.820 0.259 0.000 2.275 10 A HA 0.364 4.685 4.320 0.001 0.000 0.212 10 A C 0.725 178.528 177.584 0.365 0.000 1.201 10 A CA 0.583 52.835 52.037 0.358 0.000 0.843 10 A CB -0.153 19.014 19.000 0.279 0.000 0.873 10 A HN 0.758 nan 8.150 nan 0.000 0.492 11 G N 0.276 109.208 108.800 0.220 0.000 2.414 11 G HA2 0.352 4.312 3.960 0.001 0.000 0.213 11 G HA3 0.352 4.312 3.960 0.001 0.000 0.213 11 G C -2.977 171.970 174.900 0.078 0.000 1.444 11 G CA -0.812 44.342 45.100 0.090 0.000 1.076 11 G HN 0.106 nan 8.290 nan 0.000 0.638 12 P HA 0.557 nan 4.420 nan 0.000 0.270 12 P C 0.474 177.800 177.300 0.044 0.000 1.221 12 P CA 0.594 63.702 63.100 0.013 0.000 0.788 12 P CB 0.968 32.675 31.700 0.012 0.000 0.904 13 A N 0.194 123.024 122.820 0.016 0.000 2.533 13 A HA 0.748 5.068 4.320 0.001 0.000 0.293 13 A C -0.957 176.635 177.584 0.013 0.000 1.228 13 A CA -0.327 51.754 52.037 0.073 0.000 0.689 13 A CB 0.509 19.612 19.000 0.172 0.000 1.303 13 A HN 0.579 nan 8.150 nan 0.000 0.444 14 A N -0.545 122.289 122.820 0.023 0.000 2.531 14 A HA 0.501 4.822 4.320 0.001 0.000 0.236 14 A C -0.396 177.125 177.584 -0.105 0.000 1.062 14 A CA 0.525 52.531 52.037 -0.051 0.000 0.760 14 A CB -0.488 18.472 19.000 -0.067 0.000 0.995 14 A HN 0.855 nan 8.150 nan 0.000 0.501 15 L N 2.644 123.775 121.223 -0.152 0.000 2.322 15 L HA 0.516 4.857 4.340 0.001 0.000 0.269 15 L C -2.108 174.556 176.870 -0.343 0.000 1.012 15 L CA -1.633 53.062 54.840 -0.243 0.000 0.815 15 L CB 1.624 43.567 42.059 -0.193 0.000 1.295 15 L HN 0.421 nan 8.230 nan 0.000 0.438 16 P HA 0.028 nan 4.420 nan 0.000 0.268 16 P C 0.462 177.547 177.300 -0.359 0.000 1.204 16 P CA -0.312 62.371 63.100 -0.695 0.000 0.768 16 P CB 0.586 31.331 31.700 -1.592 0.000 0.842 17 L N 4.115 125.216 121.223 -0.204 0.000 2.079 17 L HA -0.221 4.120 4.340 0.001 0.000 0.210 17 L C 1.652 178.475 176.870 -0.078 0.000 1.081 17 L CA 2.105 56.881 54.840 -0.107 0.000 0.752 17 L CB -1.082 40.945 42.059 -0.053 0.000 0.896 17 L HN 0.272 nan 8.230 nan 0.000 0.433 18 E N -0.843 119.325 120.200 -0.054 0.000 2.110 18 E HA -0.175 4.176 4.350 0.001 0.000 0.193 18 E C 2.203 178.793 176.600 -0.015 0.000 0.988 18 E CA 1.495 57.905 56.400 0.016 0.000 0.804 18 E CB -0.666 29.117 29.700 0.138 0.000 0.745 18 E HN 0.374 nan 8.360 nan 0.000 0.458 19 V N 0.931 120.777 119.914 -0.113 0.000 2.295 19 V HA -0.243 3.877 4.120 0.001 0.000 0.246 19 V C 2.223 178.279 176.094 -0.064 0.000 1.049 19 V CA 1.563 63.796 62.300 -0.111 0.000 1.024 19 V CB -0.492 31.194 31.823 -0.229 0.000 0.648 19 V HN 0.244 nan 8.190 nan 0.000 0.447 20 L N -0.381 120.794 121.223 -0.080 0.000 2.042 20 L HA -0.222 4.119 4.340 0.001 0.000 0.210 20 L C 2.573 179.450 176.870 0.012 0.000 1.076 20 L CA 1.783 56.606 54.840 -0.029 0.000 0.749 20 L CB -0.627 41.399 42.059 -0.055 0.000 0.893 20 L HN 0.400 nan 8.230 nan 0.000 0.432 21 E N -0.242 119.960 120.200 0.004 0.000 2.072 21 E HA -0.196 4.155 4.350 0.001 0.000 0.191 21 E C 2.356 178.991 176.600 0.059 0.000 0.985 21 E CA 0.880 57.296 56.400 0.025 0.000 0.801 21 E CB -0.015 29.696 29.700 0.018 0.000 0.750 21 E HN 0.398 nan 8.360 nan 0.000 0.452 22 R N 0.474 121.012 120.500 0.064 0.000 2.073 22 R HA -0.100 4.241 4.340 0.001 0.000 0.234 22 R C 2.379 178.782 176.300 0.172 0.000 1.134 22 R CA 1.246 57.403 56.100 0.095 0.000 0.952 22 R CB -0.300 30.043 30.300 0.072 0.000 0.850 22 R HN 0.107 nan 8.270 nan 0.000 0.433 23 A N 0.882 123.820 122.820 0.196 0.000 1.898 23 A HA -0.223 4.098 4.320 0.001 0.000 0.216 23 A C 2.112 179.922 177.584 0.377 0.000 1.181 23 A CA 1.293 53.563 52.037 0.388 0.000 0.620 23 A CB -0.498 18.741 19.000 0.399 0.000 0.819 23 A HN 0.394 nan 8.150 nan 0.000 0.442 24 Q N -0.362 119.568 119.800 0.217 0.000 2.084 24 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 24 Q C 2.109 178.214 176.000 0.175 0.000 0.978 24 Q CA 1.653 57.542 55.803 0.145 0.000 0.844 24 Q CB -0.346 28.413 28.738 0.036 0.000 0.898 24 Q HN 0.582 nan 8.270 nan 0.000 0.426 25 A N 1.352 124.259 122.820 0.144 0.000 1.969 25 A HA -0.187 4.134 4.320 0.001 0.000 0.218 25 A C 1.522 179.180 177.584 0.123 0.000 1.169 25 A CA 1.564 53.665 52.037 0.107 0.000 0.635 25 A CB -0.374 18.671 19.000 0.075 0.000 0.810 25 A HN 0.710 nan 8.150 nan 0.000 0.445 26 E N -2.033 118.278 120.200 0.184 0.000 2.558 26 E HA 0.180 4.531 4.350 0.001 0.000 0.205 26 E C 1.030 177.758 176.600 0.214 0.000 1.006 26 E CA -0.520 55.977 56.400 0.161 0.000 0.961 26 E CB -0.324 29.462 29.700 0.144 0.000 1.044 26 E HN 0.396 nan 8.360 nan 0.000 0.465 27 F N 1.183 121.194 119.950 0.102 0.000 2.134 27 F HA -0.164 4.363 4.527 0.001 0.000 0.299 27 F C 1.714 177.521 175.800 0.011 0.000 1.097 27 F CA 1.403 59.447 58.000 0.073 0.000 1.264 27 F CB 0.216 39.249 39.000 0.056 0.000 1.001 27 F HN -0.037 nan 8.300 nan 0.000 0.479 28 V N -1.230 118.748 119.914 0.107 0.000 2.599 28 V HA -0.055 4.065 4.120 0.001 0.000 0.245 28 V C -0.172 175.898 176.094 -0.041 0.000 1.046 28 V CA 1.367 63.666 62.300 -0.003 0.000 1.065 28 V CB -0.268 31.594 31.823 0.064 0.000 0.703 28 V HN 0.167 nan 8.190 nan 0.000 0.464 29 D N -0.883 119.515 120.400 -0.004 0.000 2.473 29 D HA 0.163 4.804 4.640 0.001 0.000 0.253 29 D C -1.253 175.060 176.300 0.020 0.000 1.233 29 D CA -0.586 53.409 54.000 -0.009 0.000 0.908 29 D CB 0.966 41.739 40.800 -0.044 0.000 1.170 29 D HN 0.258 nan 8.370 nan 0.000 0.558 30 Y N 3.809 124.065 120.300 -0.073 0.000 2.436 30 Y HA 0.169 4.721 4.550 0.002 0.000 0.343 30 Y C 0.762 176.659 175.900 -0.006 0.000 1.008 30 Y CA 0.185 58.262 58.100 -0.039 0.000 1.241 30 Y CB 0.386 38.812 38.460 -0.058 0.000 1.153 30 Y HN 0.453 nan 8.280 nan 0.000 0.521 31 Q N 6.997 126.586 119.800 -0.350 0.000 2.435 31 Q HA -0.339 4.002 4.340 0.001 0.000 0.312 31 Q C -0.166 175.909 176.000 0.125 0.000 1.333 31 Q CA 1.157 56.854 55.803 -0.176 0.000 0.883 31 Q CB -1.688 26.837 28.738 -0.355 0.000 1.170 31 Q HN 1.088 nan 8.270 nan 0.000 0.443 32 H N -3.435 115.618 119.070 -0.029 0.000 2.921 32 H HA -0.205 4.351 4.556 0.000 0.000 0.281 32 H C 1.261 176.604 175.328 0.024 0.000 1.165 32 H CA 1.395 57.443 56.048 0.001 0.000 1.151 32 H CB -1.969 27.789 29.762 -0.007 0.000 1.311 32 H HN 0.764 nan 8.280 nan 0.000 0.361 33 T N -3.335 111.303 114.554 0.139 0.000 3.088 33 T HA 0.273 4.624 4.350 0.001 0.000 0.259 33 T C 1.908 176.652 174.700 0.072 0.000 1.122 33 T CA 1.049 63.220 62.100 0.118 0.000 1.095 33 T CB 0.300 69.258 68.868 0.149 0.000 0.930 33 T HN 0.848 nan 8.240 nan 0.000 0.508 34 G N 1.174 110.006 108.800 0.053 0.000 2.153 34 G HA2 -0.235 3.725 3.960 0.001 0.000 0.252 34 G HA3 -0.235 3.725 3.960 0.001 0.000 0.252 34 G C -0.126 174.777 174.900 0.005 0.000 0.994 34 G CA 0.539 45.653 45.100 0.023 0.000 0.698 34 G HN 0.612 nan 8.290 nan 0.000 0.521 35 M N -0.193 119.411 119.600 0.007 0.000 2.531 35 M HA 0.526 5.007 4.480 0.001 0.000 0.286 35 M C 0.329 176.597 176.300 -0.053 0.000 1.232 35 M CA -0.654 54.626 55.300 -0.034 0.000 0.877 35 M CB 2.249 34.828 32.600 -0.037 0.000 1.726 35 M HN 0.168 nan 8.290 nan 0.000 0.463 36 S N 0.423 116.035 115.700 -0.147 0.000 2.593 36 S HA 0.198 4.668 4.470 0.001 0.000 0.269 36 S C 0.934 175.378 174.600 -0.259 0.000 1.334 36 S CA -0.388 57.662 58.200 -0.249 0.000 1.015 36 S CB 0.522 63.444 63.200 -0.465 0.000 0.912 36 S HN 0.632 nan 8.310 nan 0.000 0.541 37 I N 3.968 124.329 120.570 -0.348 0.000 2.423 37 I HA -0.148 4.023 4.170 0.001 0.000 0.254 37 I C 2.043 177.995 176.117 -0.275 0.000 1.151 37 I CA 1.733 62.770 61.300 -0.438 0.000 1.421 37 I CB -0.263 37.286 38.000 -0.751 0.000 1.079 37 I HN 0.768 nan 8.210 nan 0.000 0.431 38 M N -0.763 118.659 119.600 -0.297 0.000 2.460 38 M HA -0.131 4.349 4.480 0.001 0.000 0.263 38 M C 1.286 177.452 176.300 -0.223 0.000 1.071 38 M CA 1.236 56.376 55.300 -0.266 0.000 1.096 38 M CB -0.240 32.105 32.600 -0.425 0.000 1.408 38 M HN 0.233 nan 8.290 nan 0.000 0.463 39 E N -0.336 119.738 120.200 -0.209 0.000 2.481 39 E HA 0.201 4.551 4.350 0.001 0.000 0.198 39 E C 0.106 176.638 176.600 -0.114 0.000 1.027 39 E CA -0.109 56.201 56.400 -0.150 0.000 0.900 39 E CB 0.438 30.056 29.700 -0.137 0.000 0.993 39 E HN 0.472 nan 8.360 nan 0.000 0.482 40 M N 0.546 120.072 119.600 -0.123 0.000 2.444 40 M HA 0.193 4.674 4.480 0.001 0.000 0.319 40 M C 0.389 176.647 176.300 -0.070 0.000 1.183 40 M CA -0.511 54.741 55.300 -0.080 0.000 1.032 40 M CB 1.706 34.266 32.600 -0.067 0.000 1.569 40 M HN -0.166 nan 8.290 nan 0.000 0.468 41 S N 0.831 116.512 115.700 -0.031 0.000 2.562 41 S HA 0.022 4.493 4.470 0.001 0.000 0.281 41 S C 1.255 175.851 174.600 -0.005 0.000 1.333 41 S CA -0.528 57.664 58.200 -0.014 0.000 1.052 41 S CB 0.314 63.485 63.200 -0.048 0.000 0.884 41 S HN 0.833 nan 8.310 nan 0.000 0.506 42 H N 4.569 123.556 119.070 -0.139 0.000 2.546 42 H HA 0.197 4.754 4.556 0.001 0.000 0.277 42 H C 0.643 176.009 175.328 0.063 0.000 1.004 42 H CA 0.319 56.294 56.048 -0.122 0.000 1.231 42 H CB -0.034 29.581 29.762 -0.245 0.000 1.382 42 H HN 0.454 nan 8.280 nan 0.000 0.580 43 R N 1.187 121.442 120.500 -0.408 0.000 2.468 43 R HA 0.293 4.633 4.340 0.001 0.000 0.280 43 R C 0.683 176.920 176.300 -0.104 0.000 0.963 43 R CA 0.155 56.093 56.100 -0.269 0.000 1.083 43 R CB 0.177 30.258 30.300 -0.365 0.000 1.200 43 R HN 0.345 nan 8.270 nan 0.000 0.541 44 G N -0.537 108.241 108.800 -0.036 0.000 2.448 44 G HA2 0.406 4.366 3.960 0.001 0.000 0.285 44 G HA3 0.406 4.366 3.960 0.001 0.000 0.285 44 G C 0.860 175.781 174.900 0.035 0.000 1.176 44 G CA 0.033 45.135 45.100 0.003 0.000 0.852 44 G HN 0.126 nan 8.290 nan 0.000 0.530 45 A N 0.993 123.829 122.820 0.028 0.000 1.972 45 A HA 0.012 4.333 4.320 0.001 0.000 0.219 45 A C 2.455 180.067 177.584 0.047 0.000 1.169 45 A CA 1.705 53.761 52.037 0.032 0.000 0.635 45 A CB -0.387 18.631 19.000 0.030 0.000 0.810 45 A HN 0.537 nan 8.150 nan 0.000 0.446 46 V N -1.410 118.545 119.914 0.068 0.000 2.261 46 V HA -0.280 3.841 4.120 0.001 0.000 0.246 46 V C 2.355 178.483 176.094 0.057 0.000 1.047 46 V CA 2.156 64.511 62.300 0.092 0.000 1.015 46 V CB -1.046 30.844 31.823 0.112 0.000 0.642 46 V HN 0.737 nan 8.190 nan 0.000 0.446 47 Y N 1.166 121.451 120.300 -0.025 0.000 2.200 47 Y HA -0.199 4.352 4.550 0.001 0.000 0.290 47 Y C 2.523 178.454 175.900 0.051 0.000 1.137 47 Y CA 1.999 60.086 58.100 -0.022 0.000 1.163 47 Y CB -0.285 38.153 38.460 -0.037 0.000 0.988 47 Y HN 0.344 nan 8.280 nan 0.000 0.518 48 E N 0.106 120.231 120.200 -0.125 0.000 2.118 48 E HA -0.253 4.097 4.350 0.001 0.000 0.195 48 E C 2.339 178.876 176.600 -0.105 0.000 0.992 48 E CA 1.050 57.372 56.400 -0.131 0.000 0.804 48 E CB -0.329 29.364 29.700 -0.011 0.000 0.741 48 E HN 0.610 nan 8.360 nan 0.000 0.458 49 A N 0.735 123.518 122.820 -0.061 0.000 1.902 49 A HA -0.161 4.160 4.320 0.001 0.000 0.217 49 A C 2.482 180.044 177.584 -0.036 0.000 1.181 49 A CA 1.262 53.291 52.037 -0.013 0.000 0.623 49 A CB -0.624 18.398 19.000 0.037 0.000 0.818 49 A HN 0.128 nan 8.150 nan 0.000 0.443 50 V N -0.623 119.225 119.914 -0.109 0.000 2.295 50 V HA -0.286 3.835 4.120 0.001 0.000 0.246 50 V C 2.455 178.469 176.094 -0.133 0.000 1.049 50 V CA 2.508 64.751 62.300 -0.094 0.000 1.024 50 V CB -1.025 30.750 31.823 -0.082 0.000 0.648 50 V HN 0.838 nan 8.190 nan 0.000 0.447 51 H N 0.614 119.410 119.070 -0.457 0.000 2.352 51 H HA -0.155 4.402 4.556 0.001 0.000 0.299 51 H C 2.192 177.548 175.328 0.047 0.000 1.097 51 H CA 2.481 58.388 56.048 -0.235 0.000 1.311 51 H CB -0.092 29.452 29.762 -0.363 0.000 1.377 51 H HN 0.538 nan 8.280 nan 0.000 0.504 52 N N -0.558 118.198 118.700 0.094 0.000 2.250 52 N HA -0.074 4.667 4.740 0.001 0.000 0.181 52 N C 1.645 177.181 175.510 0.044 0.000 1.017 52 N CA 0.789 53.887 53.050 0.080 0.000 0.866 52 N CB 0.141 38.675 38.487 0.079 0.000 0.985 52 N HN 0.454 nan 8.380 nan 0.000 0.429 53 E N 0.827 121.045 120.200 0.030 0.000 2.110 53 E HA -0.172 4.179 4.350 0.001 0.000 0.193 53 E C 2.029 178.649 176.600 0.033 0.000 0.988 53 E CA 0.978 57.394 56.400 0.027 0.000 0.804 53 E CB -0.065 29.650 29.700 0.024 0.000 0.745 53 E HN 0.387 nan 8.360 nan 0.000 0.458 54 A N 1.235 124.081 122.820 0.044 0.000 1.908 54 A HA -0.290 4.031 4.320 0.001 0.000 0.218 54 A C 2.056 179.723 177.584 0.138 0.000 1.181 54 A CA 1.594 53.682 52.037 0.086 0.000 0.627 54 A CB -0.507 18.537 19.000 0.073 0.000 0.818 54 A HN 0.203 nan 8.150 nan 0.000 0.445 55 Q N -0.647 119.229 119.800 0.126 0.000 2.061 55 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 55 Q C 2.455 178.453 176.000 -0.002 0.000 0.984 55 Q CA 1.527 57.334 55.803 0.006 0.000 0.846 55 Q CB -0.432 28.262 28.738 -0.073 0.000 0.902 55 Q HN 0.682 nan 8.270 nan 0.000 0.421 56 A N 1.261 124.087 122.820 0.009 0.000 1.902 56 A HA -0.199 4.122 4.320 0.001 0.000 0.217 56 A C 2.022 179.605 177.584 -0.002 0.000 1.181 56 A CA 1.356 53.394 52.037 0.002 0.000 0.623 56 A CB -0.388 18.617 19.000 0.009 0.000 0.818 56 A HN 0.204 nan 8.150 nan 0.000 0.443 57 R N -0.987 119.518 120.500 0.008 0.000 2.092 57 R HA 0.019 4.360 4.340 0.001 0.000 0.231 57 R C 2.189 178.486 176.300 -0.005 0.000 1.119 57 R CA 1.187 57.288 56.100 0.002 0.000 0.970 57 R CB -0.466 29.840 30.300 0.010 0.000 0.864 57 R HN 0.574 nan 8.270 nan 0.000 0.440 58 L N 0.953 122.179 121.223 0.004 0.000 1.994 58 L HA -0.201 4.140 4.340 0.001 0.000 0.208 58 L C 2.169 179.010 176.870 -0.048 0.000 1.071 58 L CA 1.416 56.250 54.840 -0.009 0.000 0.745 58 L CB -0.176 41.890 42.059 0.012 0.000 0.892 58 L HN 0.222 nan 8.230 nan 0.000 0.431 59 L N -0.580 120.613 121.223 -0.050 0.000 2.083 59 L HA -0.210 4.130 4.340 0.001 0.000 0.209 59 L C 2.772 179.597 176.870 -0.074 0.000 1.083 59 L CA 1.136 55.932 54.840 -0.073 0.000 0.752 59 L CB -0.728 41.303 42.059 -0.047 0.000 0.899 59 L HN 0.336 nan 8.230 nan 0.000 0.433 60 A N -0.083 122.707 122.820 -0.050 0.000 1.930 60 A HA -0.141 4.180 4.320 0.001 0.000 0.217 60 A C 2.236 179.782 177.584 -0.062 0.000 1.175 60 A CA 1.208 53.216 52.037 -0.049 0.000 0.627 60 A CB -0.603 18.378 19.000 -0.032 0.000 0.815 60 A HN 0.361 nan 8.150 nan 0.000 0.443 61 L N -0.834 120.352 121.223 -0.062 0.000 2.131 61 L HA -0.105 4.236 4.340 0.001 0.000 0.210 61 L C 1.921 178.727 176.870 -0.107 0.000 1.092 61 L CA 0.793 55.593 54.840 -0.067 0.000 0.759 61 L CB -0.286 41.745 42.059 -0.046 0.000 0.903 61 L HN 0.351 nan 8.230 nan 0.000 0.435 62 L N -0.586 120.547 121.223 -0.150 0.000 2.612 62 L HA 0.140 4.481 4.340 0.001 0.000 0.230 62 L C 1.243 177.992 176.870 -0.201 0.000 1.140 62 L CA 0.468 55.160 54.840 -0.246 0.000 0.896 62 L CB -0.229 41.625 42.059 -0.343 0.000 1.065 62 L HN 0.449 nan 8.230 nan 0.000 0.447 63 G N 0.198 108.920 108.800 -0.129 0.000 2.132 63 G HA2 -0.314 3.647 3.960 0.001 0.000 0.228 63 G HA3 -0.314 3.647 3.960 0.001 0.000 0.228 63 G C 0.272 175.123 174.900 -0.081 0.000 1.000 63 G CA 0.053 45.094 45.100 -0.097 0.000 0.693 63 G HN 0.560 nan 8.290 nan 0.000 0.515 64 N N -0.482 118.170 118.700 -0.080 0.000 2.696 64 N HA -0.139 4.602 4.740 0.001 0.000 0.256 64 N C -1.747 173.735 175.510 -0.046 0.000 1.031 64 N CA 0.546 53.563 53.050 -0.054 0.000 0.730 64 N CB -0.334 38.133 38.487 -0.033 0.000 0.894 64 N HN 0.630 nan 8.380 nan 0.000 0.544 65 P HA 0.045 nan 4.420 nan 0.000 0.269 65 P C 0.027 177.360 177.300 0.056 0.000 1.215 65 P CA 0.198 63.277 63.100 -0.036 0.000 0.780 65 P CB 0.768 32.369 31.700 -0.164 0.000 0.898 66 T N -3.843 110.783 114.554 0.120 0.000 2.940 66 T HA 0.585 4.936 4.350 0.001 0.000 0.288 66 T C 0.848 175.652 174.700 0.173 0.000 1.033 66 T CA -0.083 62.085 62.100 0.114 0.000 1.033 66 T CB 1.229 70.130 68.868 0.055 0.000 1.079 66 T HN 0.747 nan 8.240 nan 0.000 0.496 67 G N 0.050 108.891 108.800 0.068 0.000 2.143 67 G HA2 -0.197 3.764 3.960 0.001 0.000 0.249 67 G HA3 -0.197 3.764 3.960 0.001 0.000 0.249 67 G C -0.377 174.391 174.900 -0.219 0.000 0.981 67 G CA 0.089 45.147 45.100 -0.070 0.000 0.665 67 G HN 0.837 nan 8.290 nan 0.000 0.528 68 Y N -0.662 119.620 120.300 -0.031 0.000 2.446 68 Y HA 0.695 5.246 4.550 0.001 0.000 0.345 68 Y C 0.290 176.160 175.900 -0.050 0.000 0.984 68 Y CA -1.184 56.892 58.100 -0.041 0.000 1.058 68 Y CB 2.093 40.526 38.460 -0.045 0.000 1.220 68 Y HN 0.054 nan 8.280 nan 0.000 0.455 69 K N 1.631 122.073 120.400 0.071 0.000 2.244 69 K HA 0.622 4.943 4.320 0.001 0.000 0.260 69 K C -1.670 174.907 176.600 -0.038 0.000 0.951 69 K CA -0.573 55.717 56.287 0.005 0.000 0.826 69 K CB 1.241 33.736 32.500 -0.008 0.000 1.108 69 K HN 0.452 nan 8.250 nan 0.000 0.433 70 V N 6.362 126.206 119.914 -0.116 0.000 2.432 70 V HA 0.340 4.461 4.120 0.001 0.000 0.271 70 V C -0.100 175.743 176.094 -0.419 0.000 1.046 70 V CA -0.589 61.555 62.300 -0.259 0.000 0.945 70 V CB 0.385 32.020 31.823 -0.315 0.000 0.992 70 V HN 0.609 nan 8.190 nan 0.000 0.471 71 L N 5.304 126.301 121.223 -0.376 0.000 2.331 71 L HA 0.634 4.974 4.340 0.001 0.000 0.275 71 L C -0.800 175.820 176.870 -0.418 0.000 1.022 71 L CA -0.384 54.269 54.840 -0.312 0.000 0.812 71 L CB 1.690 43.696 42.059 -0.090 0.000 1.257 71 L HN 0.445 nan 8.230 nan 0.000 0.435 72 F N 3.239 123.226 119.950 0.063 0.000 2.402 72 F HA 0.568 5.096 4.527 0.001 0.000 0.355 72 F C 0.076 175.912 175.800 0.061 0.000 1.123 72 F CA -0.587 57.446 58.000 0.054 0.000 1.021 72 F CB 1.317 40.370 39.000 0.088 0.000 1.160 72 F HN 0.165 nan 8.300 nan 0.000 0.451 73 I N 2.972 123.613 120.570 0.118 0.000 2.608 73 I HA 0.309 4.480 4.170 0.001 0.000 0.295 73 I C -0.416 175.724 176.117 0.040 0.000 1.049 73 I CA -0.942 60.325 61.300 -0.055 0.000 1.063 73 I CB 2.181 39.964 38.000 -0.363 0.000 1.248 73 I HN 0.564 nan 8.210 nan 0.000 0.424 74 Q N 2.257 122.101 119.800 0.073 0.000 2.316 74 Q HA 0.476 4.816 4.340 0.001 0.000 0.215 74 Q C 0.888 176.892 176.000 0.006 0.000 1.020 74 Q CA 0.180 56.013 55.803 0.051 0.000 0.970 74 Q CB 0.986 29.767 28.738 0.071 0.000 1.187 74 Q HN 1.008 nan 8.270 nan 0.000 0.546 75 G N -0.725 108.074 108.800 -0.002 0.000 2.179 75 G HA2 -0.077 3.883 3.960 0.001 0.000 0.220 75 G HA3 -0.077 3.883 3.960 0.001 0.000 0.220 75 G C 0.431 175.299 174.900 -0.054 0.000 0.990 75 G CA -0.080 45.006 45.100 -0.023 0.000 0.646 75 G HN 1.262 nan 8.290 nan 0.000 0.517 76 G N -1.006 107.760 108.800 -0.057 0.000 2.829 76 G HA2 0.310 4.271 3.960 0.001 0.000 0.628 76 G HA3 0.310 4.271 3.960 0.001 0.000 0.628 76 G C 1.154 175.967 174.900 -0.145 0.000 1.412 76 G CA 0.948 45.991 45.100 -0.094 0.000 0.864 76 G HN 1.879 nan 8.290 nan 0.000 0.544 77 A N -0.262 122.446 122.820 -0.187 0.000 2.019 77 A HA 0.135 4.456 4.320 0.001 0.000 0.219 77 A C 2.756 179.936 177.584 -0.674 0.000 1.164 77 A CA 2.807 54.708 52.037 -0.228 0.000 0.644 77 A CB -0.616 18.259 19.000 -0.208 0.000 0.805 77 A HN 1.610 nan 8.150 nan 0.000 0.449 78 S N -0.495 114.824 115.700 -0.635 0.000 2.400 78 S HA -0.134 4.337 4.470 0.001 0.000 0.232 78 S C 1.963 176.363 174.600 -0.333 0.000 1.025 78 S CA 1.788 59.597 58.200 -0.652 0.000 0.993 78 S CB -0.459 62.653 63.200 -0.145 0.000 0.808 78 S HN 0.706 nan 8.310 nan 0.000 0.478 79 T N 2.001 116.426 114.554 -0.216 0.000 2.857 79 T HA -0.045 4.305 4.350 0.001 0.000 0.266 79 T C 1.894 176.508 174.700 -0.144 0.000 1.048 79 T CA 0.840 62.867 62.100 -0.121 0.000 1.139 79 T CB -0.202 68.608 68.868 -0.096 0.000 0.874 79 T HN 0.279 nan 8.240 nan 0.000 0.455 80 Q N 0.536 120.195 119.800 -0.235 0.000 2.170 80 Q HA 0.011 4.352 4.340 0.001 0.000 0.203 80 Q C 1.995 177.940 176.000 -0.092 0.000 0.976 80 Q CA 1.181 56.808 55.803 -0.293 0.000 0.858 80 Q CB -0.648 27.679 28.738 -0.685 0.000 0.907 80 Q HN 0.664 nan 8.270 nan 0.000 0.433 81 F N 0.265 120.192 119.950 -0.038 0.000 2.202 81 F HA -0.227 4.301 4.527 0.002 0.000 0.301 81 F C 2.284 178.098 175.800 0.024 0.000 1.082 81 F CA 0.453 58.478 58.000 0.042 0.000 1.313 81 F CB -0.079 38.983 39.000 0.103 0.000 1.024 81 F HN 0.121 nan 8.300 nan 0.000 0.495 82 A N -0.377 122.544 122.820 0.169 0.000 1.956 82 A HA -0.058 4.263 4.320 0.001 0.000 0.212 82 A C 2.040 179.628 177.584 0.006 0.000 1.188 82 A CA 0.412 52.500 52.037 0.085 0.000 0.675 82 A CB -0.514 18.517 19.000 0.053 0.000 0.845 82 A HN 0.351 nan 8.150 nan 0.000 0.455 83 M N -0.305 119.253 119.600 -0.070 0.000 2.229 83 M HA -0.061 4.420 4.480 0.001 0.000 0.264 83 M C 1.755 177.942 176.300 -0.188 0.000 1.063 83 M CA 1.461 56.635 55.300 -0.209 0.000 1.114 83 M CB -0.317 32.090 32.600 -0.321 0.000 1.387 83 M HN 0.441 nan 8.290 nan 0.000 0.420 84 I N 0.813 121.362 120.570 -0.034 0.000 2.113 84 I HA -0.224 3.947 4.170 0.001 0.000 0.238 84 I C -0.677 175.470 176.117 0.051 0.000 1.070 84 I CA 1.513 62.828 61.300 0.024 0.000 1.332 84 I CB -1.784 36.231 38.000 0.026 0.000 1.044 84 I HN 0.238 nan 8.210 nan 0.000 0.402 85 P HA -0.159 nan 4.420 nan 0.000 0.218 85 P C 1.834 179.225 177.300 0.151 0.000 1.149 85 P CA 1.729 65.031 63.100 0.336 0.000 0.817 85 P CB -0.116 31.792 31.700 0.345 0.000 0.785 86 M N -0.661 118.957 119.600 0.031 0.000 2.149 86 M HA -0.157 4.324 4.480 0.001 0.000 0.261 86 M C 1.980 178.222 176.300 -0.098 0.000 1.064 86 M CA 1.666 56.953 55.300 -0.022 0.000 1.102 86 M CB -0.694 31.853 32.600 -0.088 0.000 1.369 86 M HN -0.003 nan 8.290 nan 0.000 0.408 87 N N -0.934 117.602 118.700 -0.275 0.000 2.395 87 N HA 0.031 4.772 4.740 0.001 0.000 0.175 87 N C 1.107 176.446 175.510 -0.286 0.000 1.029 87 N CA 1.105 53.893 53.050 -0.437 0.000 0.897 87 N CB 0.305 38.298 38.487 -0.823 0.000 0.991 87 N HN 0.361 nan 8.380 nan 0.000 0.441 88 F N -0.081 119.994 119.950 0.208 0.000 2.746 88 F HA 0.253 4.781 4.527 0.001 0.000 0.313 88 F C 0.273 176.234 175.800 0.268 0.000 1.095 88 F CA -0.678 57.468 58.000 0.243 0.000 1.224 88 F CB 0.648 39.821 39.000 0.288 0.000 1.060 88 F HN -0.117 nan 8.300 nan 0.000 0.584 89 L N 2.478 123.939 121.223 0.397 0.000 2.268 89 L HA 0.397 4.738 4.340 0.001 0.000 0.289 89 L C -0.375 176.605 176.870 0.183 0.000 1.064 89 L CA -0.303 54.701 54.840 0.274 0.000 0.824 89 L CB -0.047 42.168 42.059 0.260 0.000 1.202 89 L HN -0.085 nan 8.230 nan 0.000 0.433 90 K N 2.726 123.215 120.400 0.147 0.000 2.211 90 K HA 0.748 5.069 4.320 0.001 0.000 0.237 90 K C -0.086 176.555 176.600 0.067 0.000 1.002 90 K CA -0.222 56.130 56.287 0.107 0.000 0.885 90 K CB 0.667 33.231 32.500 0.107 0.000 1.136 90 K HN 0.586 nan 8.250 nan 0.000 0.448 91 E N -0.073 120.152 120.200 0.043 0.000 2.398 91 E HA 0.345 4.696 4.350 0.001 0.000 0.263 91 E C 1.061 177.676 176.600 0.025 0.000 1.046 91 E CA 0.164 56.580 56.400 0.026 0.000 0.908 91 E CB -0.406 29.299 29.700 0.009 0.000 0.963 91 E HN 0.820 nan 8.360 nan 0.000 0.431 92 G N 0.947 109.758 108.800 0.019 0.000 2.179 92 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 92 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 92 G C 0.496 175.404 174.900 0.012 0.000 0.977 92 G CA 0.702 45.810 45.100 0.013 0.000 0.641 92 G HN 0.769 nan 8.290 nan 0.000 0.533 93 Q N -0.098 119.715 119.800 0.021 0.000 2.240 93 Q HA 0.689 5.029 4.340 0.001 0.000 0.260 93 Q C 0.020 176.022 176.000 0.003 0.000 1.018 93 Q CA -0.082 55.729 55.803 0.013 0.000 0.898 93 Q CB 1.824 30.582 28.738 0.033 0.000 1.301 93 Q HN 0.514 nan 8.270 nan 0.000 0.469 94 T N -2.733 111.806 114.554 -0.024 0.000 2.881 94 T HA 0.715 5.066 4.350 0.001 0.000 0.290 94 T C -0.912 173.722 174.700 -0.111 0.000 1.000 94 T CA -0.936 61.150 62.100 -0.023 0.000 0.978 94 T CB 1.456 70.325 68.868 0.002 0.000 0.997 94 T HN 0.607 nan 8.240 nan 0.000 0.443 95 A N 3.610 126.356 122.820 -0.124 0.000 2.347 95 A HA 0.600 4.921 4.320 0.001 0.000 0.287 95 A C 0.022 177.535 177.584 -0.119 0.000 1.199 95 A CA -0.652 51.141 52.037 -0.408 0.000 0.851 95 A CB -0.497 18.412 19.000 -0.152 0.000 1.118 95 A HN 0.836 nan 8.150 nan 0.000 0.525 96 N N 1.077 119.630 118.700 -0.246 0.000 2.456 96 N HA 0.586 5.327 4.740 0.001 0.000 0.288 96 N C -1.420 174.031 175.510 -0.098 0.000 1.059 96 N CA 0.153 53.209 53.050 0.011 0.000 0.946 96 N CB 0.894 39.399 38.487 0.030 0.000 1.150 96 N HN 0.578 nan 8.380 nan 0.000 0.479 97 Y N -0.068 120.290 120.300 0.097 0.000 2.425 97 Y HA 0.434 4.984 4.550 0.001 0.000 0.344 97 Y C -0.308 175.670 175.900 0.129 0.000 0.969 97 Y CA -0.981 57.211 58.100 0.153 0.000 1.052 97 Y CB 1.367 39.884 38.460 0.094 0.000 1.215 97 Y HN 0.130 nan 8.280 nan 0.000 0.451 98 V N 5.227 125.314 119.914 0.287 0.000 2.385 98 V HA 0.256 4.376 4.120 0.001 0.000 0.269 98 V C -0.221 176.057 176.094 0.308 0.000 1.043 98 V CA -0.594 61.861 62.300 0.258 0.000 0.906 98 V CB 0.633 32.595 31.823 0.232 0.000 0.995 98 V HN 0.599 nan 8.190 nan 0.000 0.467 99 M N 5.114 124.866 119.600 0.254 0.000 2.080 99 M HA 0.290 4.771 4.480 0.001 0.000 0.350 99 M C 0.736 177.194 176.300 0.264 0.000 1.143 99 M CA -0.166 55.267 55.300 0.223 0.000 1.064 99 M CB 0.417 33.131 32.600 0.189 0.000 1.429 99 M HN 0.768 nan 8.290 nan 0.000 0.418 100 T N -1.294 113.369 114.554 0.181 0.000 3.084 100 T HA 0.603 4.954 4.350 0.001 0.000 0.270 100 T C 0.791 175.445 174.700 -0.077 0.000 1.008 100 T CA 0.175 62.378 62.100 0.172 0.000 0.900 100 T CB 0.431 69.394 68.868 0.158 0.000 1.084 100 T HN 0.820 nan 8.240 nan 0.000 0.538 101 G N 0.804 109.257 108.800 -0.577 0.000 2.302 101 G HA2 0.151 4.112 3.960 0.001 0.000 0.264 101 G HA3 0.151 4.112 3.960 0.001 0.000 0.264 101 G C 0.487 175.052 174.900 -0.559 0.000 1.335 101 G CA 0.055 44.642 45.100 -0.854 0.000 0.982 101 G HN 0.037 nan 8.290 nan 0.000 0.473 102 S N -1.201 114.238 115.700 -0.434 0.000 2.368 102 S HA -0.049 4.421 4.470 0.001 0.000 0.225 102 S C 1.835 176.169 174.600 -0.443 0.000 1.030 102 S CA 2.344 60.248 58.200 -0.494 0.000 0.999 102 S CB -0.324 62.488 63.200 -0.646 0.000 0.844 102 S HN 0.491 nan 8.310 nan 0.000 0.459 103 W N 1.183 122.429 121.300 -0.091 0.000 2.523 103 W HA 0.273 4.934 4.660 0.002 0.000 0.278 103 W C 2.669 179.141 176.519 -0.077 0.000 1.236 103 W CA 0.231 57.571 57.345 -0.008 0.000 1.306 103 W CB -0.376 29.149 29.460 0.109 0.000 1.101 103 W HN 0.332 nan 8.180 nan 0.000 0.577 104 A N -0.036 122.875 122.820 0.152 0.000 1.908 104 A HA -0.220 4.100 4.320 0.001 0.000 0.218 104 A C 1.993 179.525 177.584 -0.086 0.000 1.181 104 A CA 2.263 54.365 52.037 0.109 0.000 0.627 104 A CB -1.056 18.033 19.000 0.148 0.000 0.818 104 A HN 0.168 nan 8.150 nan 0.000 0.445 105 S N -0.268 115.333 115.700 -0.164 0.000 2.368 105 S HA -0.132 4.339 4.470 0.001 0.000 0.225 105 S C 2.041 176.497 174.600 -0.239 0.000 1.030 105 S CA 1.346 59.423 58.200 -0.206 0.000 0.999 105 S CB -0.195 62.868 63.200 -0.228 0.000 0.844 105 S HN 0.504 nan 8.310 nan 0.000 0.459 106 K N 1.623 121.879 120.400 -0.240 0.000 2.063 106 K HA -0.010 4.311 4.320 0.001 0.000 0.208 106 K C 2.338 178.631 176.600 -0.512 0.000 1.048 106 K CA 1.292 57.442 56.287 -0.229 0.000 0.928 106 K CB -0.667 31.855 32.500 0.036 0.000 0.713 106 K HN 0.374 nan 8.250 nan 0.000 0.442 107 A N 1.430 123.739 122.820 -0.851 0.000 1.873 107 A HA -0.146 4.175 4.320 0.001 0.000 0.215 107 A C 2.211 179.388 177.584 -0.678 0.000 1.186 107 A CA 1.220 52.660 52.037 -0.995 0.000 0.616 107 A CB -0.550 17.992 19.000 -0.764 0.000 0.823 107 A HN 0.240 nan 8.150 nan 0.000 0.442 108 L N -0.046 120.732 121.223 -0.741 0.000 2.046 108 L HA -0.110 4.231 4.340 0.001 0.000 0.208 108 L C 2.248 178.841 176.870 -0.462 0.000 1.077 108 L CA 2.607 56.905 54.840 -0.902 0.000 0.747 108 L CB -0.542 41.152 42.059 -0.609 0.000 0.896 108 L HN 0.434 nan 8.230 nan 0.000 0.432 109 K N -0.827 119.394 120.400 -0.298 0.000 2.063 109 K HA -0.211 4.109 4.320 0.001 0.000 0.208 109 K C 2.008 178.542 176.600 -0.109 0.000 1.048 109 K CA 1.567 57.758 56.287 -0.160 0.000 0.928 109 K CB -0.026 32.408 32.500 -0.109 0.000 0.713 109 K HN 0.317 nan 8.250 nan 0.000 0.442 110 E N 0.202 120.343 120.200 -0.097 0.000 2.072 110 E HA -0.137 4.214 4.350 0.001 0.000 0.191 110 E C 1.890 178.493 176.600 0.005 0.000 0.985 110 E CA 1.162 57.564 56.400 0.003 0.000 0.801 110 E CB -0.280 29.483 29.700 0.105 0.000 0.750 110 E HN 0.415 nan 8.360 nan 0.000 0.452 111 A N 1.445 124.235 122.820 -0.050 0.000 1.940 111 A HA -0.203 4.117 4.320 0.001 0.000 0.219 111 A C 2.028 179.624 177.584 0.021 0.000 1.176 111 A CA 1.541 53.600 52.037 0.038 0.000 0.631 111 A CB -0.372 18.667 19.000 0.065 0.000 0.814 111 A HN 0.132 nan 8.150 nan 0.000 0.446 112 K N -0.459 119.915 120.400 -0.044 0.000 2.280 112 K HA -0.019 4.302 4.320 0.001 0.000 0.202 112 K C 1.533 178.137 176.600 0.006 0.000 1.047 112 K CA 1.032 57.308 56.287 -0.020 0.000 0.942 112 K CB -0.329 32.143 32.500 -0.047 0.000 0.739 112 K HN 0.511 nan 8.250 nan 0.000 0.457 113 L N 0.526 121.756 121.223 0.012 0.000 2.291 113 L HA -0.115 4.226 4.340 0.001 0.000 0.214 113 L C 1.887 178.779 176.870 0.037 0.000 1.120 113 L CA 0.413 55.267 54.840 0.024 0.000 0.799 113 L CB -0.155 41.922 42.059 0.028 0.000 0.925 113 L HN 0.141 nan 8.230 nan 0.000 0.446 114 I N -1.274 119.327 120.570 0.053 0.000 2.927 114 I HA 0.239 4.410 4.170 0.001 0.000 0.268 114 I C 1.174 177.332 176.117 0.068 0.000 1.153 114 I CA 0.801 62.143 61.300 0.070 0.000 1.459 114 I CB -0.785 37.276 38.000 0.100 0.000 1.149 114 I HN 0.217 nan 8.210 nan 0.000 0.443 115 G N -0.009 108.831 108.800 0.066 0.000 2.435 115 G HA2 0.186 4.146 3.960 0.001 0.000 0.296 115 G HA3 0.186 4.146 3.960 0.001 0.000 0.296 115 G C -1.714 173.217 174.900 0.051 0.000 1.240 115 G CA -0.526 44.609 45.100 0.057 0.000 0.872 115 G HN -0.065 nan 8.290 nan 0.000 0.480 116 D N 1.207 121.635 120.400 0.047 0.000 2.345 116 D HA 0.512 5.153 4.640 0.001 0.000 0.247 116 D C 0.622 176.959 176.300 0.060 0.000 1.108 116 D CA 0.570 54.596 54.000 0.044 0.000 0.894 116 D CB 1.482 42.302 40.800 0.034 0.000 1.203 116 D HN 0.617 nan 8.370 nan 0.000 0.430 117 T N -1.116 113.482 114.554 0.074 0.000 2.916 117 T HA 0.612 4.963 4.350 0.001 0.000 0.292 117 T C -0.947 173.856 174.700 0.172 0.000 1.064 117 T CA -0.867 61.301 62.100 0.115 0.000 1.011 117 T CB 2.178 71.086 68.868 0.067 0.000 1.152 117 T HN 0.434 nan 8.240 nan 0.000 0.510 118 H N -0.458 118.665 119.070 0.088 0.000 2.954 118 H HA 0.573 5.129 4.556 0.001 0.000 0.361 118 H C -1.616 173.783 175.328 0.118 0.000 1.122 118 H CA -0.633 55.458 56.048 0.072 0.000 1.217 118 H CB 1.762 31.549 29.762 0.041 0.000 1.776 118 H HN 0.626 nan 8.280 nan 0.000 0.533 119 V N 5.348 124.948 119.914 -0.524 0.000 2.372 119 V HA 0.316 4.437 4.120 0.001 0.000 0.261 119 V C 1.086 176.887 176.094 -0.488 0.000 1.055 119 V CA 0.694 62.804 62.300 -0.317 0.000 0.930 119 V CB 0.366 32.088 31.823 -0.168 0.000 1.031 119 V HN 1.015 nan 8.190 nan 0.000 0.479 120 A N 4.398 127.140 122.820 -0.130 0.000 2.132 120 A HA 0.719 5.040 4.320 0.001 0.000 0.213 120 A C 0.989 178.602 177.584 0.048 0.000 1.154 120 A CA 0.902 52.955 52.037 0.025 0.000 0.753 120 A CB 0.166 19.240 19.000 0.123 0.000 0.826 120 A HN 1.202 nan 8.150 nan 0.000 0.469 121 A N -1.783 121.069 122.820 0.053 0.000 2.597 121 A HA 0.647 4.968 4.320 0.001 0.000 0.292 121 A C -0.638 177.012 177.584 0.110 0.000 1.057 121 A CA 0.295 52.382 52.037 0.084 0.000 0.674 121 A CB 0.467 19.535 19.000 0.113 0.000 1.278 121 A HN 0.973 nan 8.150 nan 0.000 0.416 122 S N -0.385 115.380 115.700 0.108 0.000 2.543 122 S HA 0.596 5.067 4.470 0.001 0.000 0.271 122 S C 0.126 174.790 174.600 0.107 0.000 1.148 122 S CA 0.366 58.647 58.200 0.135 0.000 0.914 122 S CB 1.387 64.646 63.200 0.098 0.000 1.096 122 S HN 1.942 nan 8.310 nan 0.000 0.471 123 S N 2.499 118.292 115.700 0.155 0.000 2.574 123 S HA 0.218 4.689 4.470 0.001 0.000 0.242 123 S C 1.041 175.486 174.600 -0.259 0.000 0.982 123 S CA -0.001 58.221 58.200 0.036 0.000 0.977 123 S CB 0.146 63.413 63.200 0.112 0.000 0.814 123 S HN 0.812 nan 8.310 nan 0.000 0.464 124 E N 2.105 122.095 120.200 -0.350 0.000 2.118 124 E HA -0.179 4.172 4.350 0.001 0.000 0.195 124 E C 1.987 178.298 176.600 -0.483 0.000 0.992 124 E CA 1.269 57.203 56.400 -0.777 0.000 0.804 124 E CB -0.403 29.128 29.700 -0.282 0.000 0.741 124 E HN 0.727 nan 8.360 nan 0.000 0.458 125 A N 0.606 123.281 122.820 -0.242 0.000 2.070 125 A HA -0.126 4.195 4.320 0.001 0.000 0.220 125 A C 2.098 179.589 177.584 -0.156 0.000 1.159 125 A CA 1.518 53.458 52.037 -0.161 0.000 0.656 125 A CB -0.359 18.588 19.000 -0.089 0.000 0.800 125 A HN 0.364 nan 8.150 nan 0.000 0.453 126 S N -1.192 114.400 115.700 -0.180 0.000 2.614 126 S HA 0.114 4.584 4.470 0.001 0.000 0.230 126 S C 0.525 175.030 174.600 -0.160 0.000 0.952 126 S CA 0.298 58.421 58.200 -0.129 0.000 0.949 126 S CB -0.884 62.269 63.200 -0.079 0.000 0.786 126 S HN 0.656 nan 8.310 nan 0.000 0.478 127 N N 1.005 119.533 118.700 -0.287 0.000 2.708 127 N HA -0.285 4.456 4.740 0.001 0.000 0.249 127 N C -0.886 174.546 175.510 -0.131 0.000 1.097 127 N CA 0.739 53.624 53.050 -0.276 0.000 0.710 127 N CB -1.338 37.101 38.487 -0.080 0.000 1.032 127 N HN 0.723 nan 8.380 nan 0.000 0.551 128 Y N -3.745 116.550 120.300 -0.008 0.000 4.668 128 Y HA -0.295 4.256 4.550 0.001 0.000 0.234 128 Y C 1.423 177.312 175.900 -0.017 0.000 1.056 128 Y CA 0.938 59.032 58.100 -0.010 0.000 2.025 128 Y CB -1.592 36.862 38.460 -0.009 0.000 1.613 128 Y HN 0.336 nan 8.280 nan 0.000 0.653 129 M N -0.809 118.824 119.600 0.055 0.000 2.495 129 M HA 0.140 4.621 4.480 0.001 0.000 0.237 129 M C 0.384 176.690 176.300 0.009 0.000 1.131 129 M CA 1.006 56.328 55.300 0.037 0.000 1.032 129 M CB -0.062 32.550 32.600 0.020 0.000 1.513 129 M HN 0.118 nan 8.290 nan 0.000 0.488 130 T N 1.700 116.254 114.554 0.000 0.000 2.930 130 T HA 0.522 4.873 4.350 0.001 0.000 0.313 130 T C 0.056 174.750 174.700 -0.010 0.000 1.019 130 T CA -0.520 61.573 62.100 -0.013 0.000 1.004 130 T CB 1.745 70.605 68.868 -0.014 0.000 0.987 130 T HN 0.080 nan 8.240 nan 0.000 0.456 131 L N 4.840 126.032 121.223 -0.052 0.000 2.506 131 L HA 0.236 4.577 4.340 0.001 0.000 0.281 131 L C -1.584 175.314 176.870 0.045 0.000 1.228 131 L CA -1.554 53.239 54.840 -0.078 0.000 0.850 131 L CB 0.106 41.994 42.059 -0.285 0.000 1.110 131 L HN 0.335 nan 8.230 nan 0.000 0.496 132 P HA 0.100 nan 4.420 nan 0.000 0.271 132 P C -1.051 176.371 177.300 0.202 0.000 1.216 132 P CA -0.312 62.887 63.100 0.165 0.000 0.776 132 P CB 0.465 32.286 31.700 0.201 0.000 0.881 133 K N 2.044 122.520 120.400 0.126 0.000 2.295 133 K HA 0.141 4.462 4.320 0.001 0.000 0.270 133 K C 1.528 178.191 176.600 0.105 0.000 1.011 133 K CA -0.410 55.943 56.287 0.110 0.000 0.953 133 K CB 0.434 32.972 32.500 0.063 0.000 0.956 133 K HN 0.417 nan 8.250 nan 0.000 0.477 134 L N 1.699 122.970 121.223 0.079 0.000 2.191 134 L HA -0.238 4.102 4.340 0.001 0.000 0.212 134 L C 2.566 179.453 176.870 0.028 0.000 1.103 134 L CA 1.216 56.076 54.840 0.034 0.000 0.769 134 L CB -0.376 41.680 42.059 -0.005 0.000 0.908 134 L HN 0.694 nan 8.230 nan 0.000 0.438 135 Q N 0.797 120.616 119.800 0.031 0.000 2.364 135 Q HA -0.204 4.137 4.340 0.001 0.000 0.207 135 Q C 1.745 177.765 176.000 0.034 0.000 0.970 135 Q CA 1.292 57.111 55.803 0.025 0.000 0.888 135 Q CB -0.001 28.749 28.738 0.021 0.000 0.951 135 Q HN 0.485 nan 8.270 nan 0.000 0.469 136 E N 0.004 120.232 120.200 0.047 0.000 2.338 136 E HA -0.038 4.313 4.350 0.001 0.000 0.197 136 E C -0.169 176.466 176.600 0.058 0.000 1.007 136 E CA 0.094 56.526 56.400 0.053 0.000 0.849 136 E CB -0.035 29.704 29.700 0.066 0.000 0.774 136 E HN 0.454 nan 8.360 nan 0.000 0.506 137 I N 2.625 123.228 120.570 0.054 0.000 2.587 137 I HA -0.055 4.116 4.170 0.001 0.000 0.284 137 I C 0.158 176.308 176.117 0.056 0.000 1.134 137 I CA 0.307 61.641 61.300 0.056 0.000 1.410 137 I CB 0.345 38.366 38.000 0.034 0.000 1.392 137 I HN -0.080 nan 8.210 nan 0.000 0.545 138 Q N 7.508 127.359 119.800 0.085 0.000 2.320 138 Q HA 0.517 4.858 4.340 0.001 0.000 0.268 138 Q C -0.673 175.403 176.000 0.127 0.000 1.023 138 Q CA -0.513 55.344 55.803 0.091 0.000 0.744 138 Q CB 2.473 31.271 28.738 0.101 0.000 1.246 138 Q HN 0.585 nan 8.270 nan 0.000 0.462 139 L N 1.067 122.331 121.223 0.067 0.000 2.421 139 L HA 0.546 4.887 4.340 0.001 0.000 0.263 139 L C 0.884 177.741 176.870 -0.022 0.000 1.122 139 L CA -0.521 54.348 54.840 0.049 0.000 0.804 139 L CB 0.626 42.697 42.059 0.019 0.000 1.150 139 L HN 0.607 nan 8.230 nan 0.000 0.457 140 Q N -0.114 119.632 119.800 -0.090 0.000 2.195 140 Q HA 0.125 4.466 4.340 0.001 0.000 0.250 140 Q C 0.352 176.311 176.000 -0.069 0.000 0.988 140 Q CA 0.006 55.737 55.803 -0.120 0.000 0.911 140 Q CB 0.562 29.173 28.738 -0.212 0.000 1.258 140 Q HN 0.792 nan 8.270 nan 0.000 0.475 141 D N -0.483 119.883 120.400 -0.057 0.000 2.310 141 D HA -0.142 4.499 4.640 0.001 0.000 0.212 141 D C 0.767 177.047 176.300 -0.033 0.000 0.965 141 D CA 1.594 55.572 54.000 -0.037 0.000 0.879 141 D CB 0.246 41.028 40.800 -0.030 0.000 0.921 141 D HN 0.668 nan 8.370 nan 0.000 0.510 142 N N 0.207 118.881 118.700 -0.043 0.000 2.295 142 N HA 0.115 4.856 4.740 0.001 0.000 0.221 142 N C -0.424 175.066 175.510 -0.034 0.000 1.129 142 N CA -0.214 52.818 53.050 -0.030 0.000 0.836 142 N CB -0.137 38.332 38.487 -0.030 0.000 1.040 142 N HN 0.069 nan 8.380 nan 0.000 0.494 143 A N 0.100 122.895 122.820 -0.042 0.000 2.492 143 A HA 0.564 4.885 4.320 0.001 0.000 0.254 143 A C 1.375 178.928 177.584 -0.051 0.000 1.091 143 A CA 0.055 52.057 52.037 -0.058 0.000 0.768 143 A CB 0.224 19.196 19.000 -0.047 0.000 1.028 143 A HN 0.413 nan 8.150 nan 0.000 0.498 144 A N 2.738 125.501 122.820 -0.096 0.000 1.968 144 A HA 0.408 4.728 4.320 0.001 0.000 0.217 144 A C 0.516 178.146 177.584 0.078 0.000 1.169 144 A CA 1.725 53.758 52.037 -0.008 0.000 0.638 144 A CB -0.326 18.677 19.000 0.005 0.000 0.812 144 A HN 1.804 nan 8.150 nan 0.000 0.446 145 Y N -5.312 114.992 120.300 0.007 0.000 2.810 145 Y HA 0.572 5.123 4.550 0.002 0.000 0.355 145 Y C -1.572 174.299 175.900 -0.048 0.000 1.211 145 Y CA -2.085 55.991 58.100 -0.040 0.000 1.112 145 Y CB 0.305 38.742 38.460 -0.039 0.000 1.383 145 Y HN 0.079 nan 8.280 nan 0.000 0.458 146 L N 3.284 124.609 121.223 0.171 0.000 2.325 146 L HA 0.526 4.866 4.340 0.001 0.000 0.281 146 L C -1.119 175.832 176.870 0.136 0.000 1.004 146 L CA -0.377 54.508 54.840 0.075 0.000 0.823 146 L CB 1.016 43.081 42.059 0.010 0.000 1.236 146 L HN 0.913 nan 8.230 nan 0.000 0.415 147 H N 5.702 124.726 119.070 -0.077 0.000 2.457 147 H HA 0.658 5.215 4.556 0.001 0.000 0.335 147 H C -1.379 173.956 175.328 0.012 0.000 1.115 147 H CA -0.494 55.510 56.048 -0.072 0.000 1.219 147 H CB 1.675 31.228 29.762 -0.347 0.000 1.471 147 H HN 0.686 nan 8.280 nan 0.000 0.491 148 L N 1.809 122.945 121.223 -0.145 0.000 2.341 148 L HA 0.590 4.931 4.340 0.001 0.000 0.254 148 L C -0.690 176.169 176.870 -0.018 0.000 1.040 148 L CA -0.861 54.021 54.840 0.071 0.000 0.837 148 L CB 1.556 43.631 42.059 0.027 0.000 1.425 148 L HN 0.407 nan 8.230 nan 0.000 0.414 149 T N 0.114 114.819 114.554 0.253 0.000 2.788 149 T HA 0.328 4.679 4.350 0.001 0.000 0.296 149 T C 1.021 175.923 174.700 0.337 0.000 1.009 149 T CA 0.110 62.350 62.100 0.232 0.000 0.949 149 T CB 1.163 70.217 68.868 0.309 0.000 0.946 149 T HN 0.888 nan 8.240 nan 0.000 0.453 150 S N 3.109 118.937 115.700 0.214 0.000 2.402 150 S HA -0.032 4.439 4.470 0.001 0.000 0.229 150 S C 0.740 175.532 174.600 0.320 0.000 1.021 150 S CA 0.390 58.840 58.200 0.417 0.000 0.974 150 S CB -0.215 63.114 63.200 0.216 0.000 0.800 150 S HN 0.626 nan 8.310 nan 0.000 0.484 151 N N 0.958 119.763 118.700 0.174 0.000 2.480 151 N HA 0.218 4.958 4.740 0.001 0.000 0.289 151 N C -1.922 173.675 175.510 0.145 0.000 1.073 151 N CA -0.269 52.861 53.050 0.133 0.000 0.885 151 N CB 1.380 39.942 38.487 0.124 0.000 1.421 151 N HN -0.018 nan 8.380 nan 0.000 0.503 152 E N 2.572 122.854 120.200 0.136 0.000 1.941 152 E HA 0.108 4.459 4.350 0.001 0.000 0.275 152 E C 0.442 177.170 176.600 0.212 0.000 1.113 152 E CA 0.035 56.548 56.400 0.187 0.000 0.878 152 E CB 0.690 30.450 29.700 0.100 0.000 1.070 152 E HN 0.660 nan 8.360 nan 0.000 0.399 153 T N 2.463 117.217 114.554 0.333 0.000 2.833 153 T HA -0.069 4.282 4.350 0.001 0.000 0.269 153 T C 1.843 176.689 174.700 0.243 0.000 1.054 153 T CA 0.794 63.075 62.100 0.302 0.000 1.135 153 T CB 0.167 69.254 68.868 0.365 0.000 0.869 153 T HN 0.372 nan 8.240 nan 0.000 0.466 154 I N 0.210 120.895 120.570 0.191 0.000 2.585 154 I HA 0.027 4.198 4.170 0.001 0.000 0.254 154 I C 2.405 178.547 176.117 0.043 0.000 1.129 154 I CA 0.921 62.248 61.300 0.044 0.000 1.455 154 I CB 0.013 37.885 38.000 -0.214 0.000 1.111 154 I HN 0.079 nan 8.210 nan 0.000 0.433 155 E N 0.624 120.850 120.200 0.044 0.000 2.299 155 E HA 0.060 4.410 4.350 0.001 0.000 0.193 155 E C 1.342 177.988 176.600 0.077 0.000 0.998 155 E CA 0.799 57.231 56.400 0.053 0.000 0.851 155 E CB 0.117 29.848 29.700 0.051 0.000 0.795 155 E HN 0.428 nan 8.360 nan 0.000 0.492 156 G N -0.254 108.602 108.800 0.093 0.000 2.137 156 G HA2 -0.207 3.754 3.960 0.001 0.000 0.237 156 G HA3 -0.207 3.754 3.960 0.001 0.000 0.237 156 G C 0.116 175.073 174.900 0.095 0.000 1.002 156 G CA 0.093 45.259 45.100 0.109 0.000 0.702 156 G HN 0.492 nan 8.290 nan 0.000 0.515 157 A N -0.583 122.270 122.820 0.055 0.000 2.337 157 A HA 0.920 5.240 4.320 0.001 0.000 0.329 157 A C -0.058 177.498 177.584 -0.046 0.000 1.146 157 A CA 0.154 52.183 52.037 -0.012 0.000 0.800 157 A CB 1.558 20.527 19.000 -0.053 0.000 1.220 157 A HN 0.985 nan 8.150 nan 0.000 0.472 158 Q N 1.519 121.261 119.800 -0.096 0.000 2.284 158 Q HA 0.530 4.871 4.340 0.001 0.000 0.269 158 Q C -1.866 174.060 176.000 -0.122 0.000 1.026 158 Q CA -0.497 55.270 55.803 -0.060 0.000 0.831 158 Q CB 1.316 30.080 28.738 0.044 0.000 1.322 158 Q HN 0.638 nan 8.270 nan 0.000 0.419 159 F N 2.597 122.561 119.950 0.024 0.000 2.471 159 F HA 0.192 4.720 4.527 0.001 0.000 0.353 159 F C 1.385 177.063 175.800 -0.202 0.000 1.113 159 F CA 0.280 58.228 58.000 -0.086 0.000 1.262 159 F CB 0.882 39.829 39.000 -0.090 0.000 1.146 159 F HN 0.534 nan 8.300 nan 0.000 0.578 160 K N 1.943 122.329 120.400 -0.023 0.000 2.323 160 K HA 0.364 4.685 4.320 0.001 0.000 0.197 160 K C 0.094 176.524 176.600 -0.284 0.000 1.043 160 K CA 0.311 56.530 56.287 -0.114 0.000 0.997 160 K CB 0.440 32.911 32.500 -0.049 0.000 0.807 160 K HN 0.618 nan 8.250 nan 0.000 0.497 161 A N 0.617 123.188 122.820 -0.415 0.000 2.587 161 A HA 0.700 5.021 4.320 0.001 0.000 0.293 161 A C -1.556 175.630 177.584 -0.663 0.000 1.087 161 A CA -0.744 51.001 52.037 -0.486 0.000 0.692 161 A CB 0.867 19.763 19.000 -0.173 0.000 1.291 161 A HN 0.045 nan 8.150 nan 0.000 0.407 162 F N 1.059 120.975 119.950 -0.056 0.000 2.538 162 F HA 0.649 5.177 4.527 0.001 0.000 0.325 162 F C -1.947 173.732 175.800 -0.202 0.000 1.066 162 F CA -2.050 55.837 58.000 -0.190 0.000 0.946 162 F CB 2.344 41.226 39.000 -0.196 0.000 1.199 162 F HN 0.351 nan 8.300 nan 0.000 0.473 163 P HA 0.093 nan 4.420 nan 0.000 0.277 163 P C -1.254 175.983 177.300 -0.105 0.000 1.240 163 P CA -0.376 62.676 63.100 -0.081 0.000 0.798 163 P CB 0.973 32.617 31.700 -0.094 0.000 0.979 164 D N 1.552 121.908 120.400 -0.073 0.000 2.339 164 D HA 0.114 4.755 4.640 0.001 0.000 0.241 164 D C 1.081 177.338 176.300 -0.073 0.000 1.183 164 D CA 0.315 54.270 54.000 -0.076 0.000 0.859 164 D CB 0.754 41.526 40.800 -0.046 0.000 1.067 164 D HN 0.382 nan 8.370 nan 0.000 0.484 165 T N -0.623 113.876 114.554 -0.091 0.000 3.105 165 T HA 0.387 4.738 4.350 0.001 0.000 0.253 165 T C 1.156 175.824 174.700 -0.053 0.000 1.047 165 T CA 0.120 62.178 62.100 -0.070 0.000 0.944 165 T CB 0.471 69.288 68.868 -0.085 0.000 1.016 165 T HN 0.545 nan 8.240 nan 0.000 0.544 166 G N 2.444 111.215 108.800 -0.049 0.000 2.550 166 G HA2 -0.374 3.587 3.960 0.001 0.000 0.277 166 G HA3 -0.374 3.587 3.960 0.001 0.000 0.277 166 G C 1.171 176.049 174.900 -0.037 0.000 1.190 166 G CA 0.944 46.023 45.100 -0.036 0.000 0.971 166 G HN 1.164 nan 8.290 nan 0.000 0.559 167 S N -0.677 115.005 115.700 -0.030 0.000 2.507 167 S HA 0.264 4.734 4.470 0.001 0.000 0.235 167 S C 1.079 175.659 174.600 -0.033 0.000 0.988 167 S CA 1.246 59.428 58.200 -0.030 0.000 0.944 167 S CB 0.004 63.191 63.200 -0.022 0.000 0.762 167 S HN 1.334 nan 8.310 nan 0.000 0.526 168 V N 4.161 124.055 119.914 -0.033 0.000 2.455 168 V HA 0.303 4.423 4.120 0.001 0.000 0.273 168 V C -2.320 173.751 176.094 -0.039 0.000 1.045 168 V CA -1.954 60.330 62.300 -0.027 0.000 0.976 168 V CB 0.612 32.423 31.823 -0.020 0.000 0.993 168 V HN 0.204 nan 8.190 nan 0.000 0.475 169 P HA 0.134 nan 4.420 nan 0.000 0.267 169 P C -0.634 176.642 177.300 -0.039 0.000 1.205 169 P CA -0.281 62.774 63.100 -0.075 0.000 0.765 169 P CB 0.542 32.142 31.700 -0.167 0.000 0.828 170 L N 5.481 126.656 121.223 -0.081 0.000 2.276 170 L HA 0.440 4.781 4.340 0.001 0.000 0.286 170 L C -0.782 176.107 176.870 0.032 0.000 1.061 170 L CA 0.027 54.803 54.840 -0.107 0.000 0.807 170 L CB 0.053 41.896 42.059 -0.361 0.000 1.177 170 L HN 0.264 nan 8.230 nan 0.000 0.429 171 I N 4.577 125.178 120.570 0.052 0.000 2.465 171 I HA 0.532 4.703 4.170 0.001 0.000 0.291 171 I C 0.215 176.304 176.117 -0.047 0.000 1.014 171 I CA -0.626 60.712 61.300 0.064 0.000 1.093 171 I CB 1.950 39.940 38.000 -0.016 0.000 1.267 171 I HN 0.743 nan 8.210 nan 0.000 0.431 172 G N 3.363 112.102 108.800 -0.102 0.000 2.544 172 G HA2 0.289 4.250 3.960 0.001 0.000 0.313 172 G HA3 0.289 4.250 3.960 0.001 0.000 0.313 172 G C -1.126 173.450 174.900 -0.539 0.000 1.316 172 G CA -0.303 44.580 45.100 -0.362 0.000 0.944 172 G HN 0.563 nan 8.290 nan 0.000 0.489 173 D N 2.685 122.711 120.400 -0.622 0.000 2.359 173 D HA 0.156 4.797 4.640 0.001 0.000 0.250 173 D C 0.906 176.882 176.300 -0.539 0.000 1.264 173 D CA -0.138 53.315 54.000 -0.912 0.000 0.911 173 D CB 0.573 41.178 40.800 -0.324 0.000 1.056 173 D HN 0.232 nan 8.370 nan 0.000 0.499 174 M N 2.308 121.556 119.600 -0.586 0.000 2.655 174 M HA 0.059 4.540 4.480 0.001 0.000 0.311 174 M C 1.602 177.727 176.300 -0.292 0.000 1.229 174 M CA -0.357 54.715 55.300 -0.379 0.000 0.972 174 M CB 0.485 32.819 32.600 -0.442 0.000 1.366 174 M HN 0.154 nan 8.290 nan 0.000 0.500 175 S N 1.077 116.574 115.700 -0.339 0.000 2.380 175 S HA -0.143 4.328 4.470 0.001 0.000 0.229 175 S C 1.811 176.277 174.600 -0.223 0.000 1.043 175 S CA 2.181 60.209 58.200 -0.287 0.000 1.038 175 S CB -0.141 62.845 63.200 -0.356 0.000 0.872 175 S HN 0.685 nan 8.310 nan 0.000 0.456 176 S N 0.671 116.284 115.700 -0.146 0.000 2.572 176 S HA 0.143 4.614 4.470 0.001 0.000 0.228 176 S C 0.354 175.010 174.600 0.093 0.000 0.963 176 S CA 0.272 58.460 58.200 -0.020 0.000 0.939 176 S CB 0.091 63.371 63.200 0.132 0.000 0.804 176 S HN 0.615 nan 8.310 nan 0.000 0.480 177 D N -0.066 120.346 120.400 0.019 0.000 2.530 177 D HA 0.199 4.839 4.640 0.001 0.000 0.253 177 D C 0.064 176.380 176.300 0.027 0.000 1.338 177 D CA -0.575 53.471 54.000 0.076 0.000 0.806 177 D CB -0.863 39.998 40.800 0.103 0.000 1.160 177 D HN 0.455 nan 8.370 nan 0.000 0.514 178 I N 1.905 122.451 120.570 -0.040 0.000 2.710 178 I HA 0.004 4.175 4.170 0.001 0.000 0.286 178 I C 0.908 177.065 176.117 0.065 0.000 1.181 178 I CA 0.142 61.432 61.300 -0.017 0.000 1.430 178 I CB 0.256 38.216 38.000 -0.067 0.000 1.367 178 I HN 0.136 nan 8.210 nan 0.000 0.577 179 L N 5.179 126.488 121.223 0.143 0.000 4.040 179 L HA -0.261 4.080 4.340 0.001 0.000 0.410 179 L C 1.249 178.196 176.870 0.128 0.000 1.187 179 L CA 0.624 55.543 54.840 0.130 0.000 0.956 179 L CB -2.316 39.797 42.059 0.089 0.000 2.022 179 L HN 0.868 nan 8.230 nan 0.000 0.897 180 S N -0.454 115.332 115.700 0.142 0.000 2.535 180 S HA 0.243 4.714 4.470 0.001 0.000 0.214 180 S C 0.594 175.275 174.600 0.135 0.000 0.980 180 S CA 0.214 58.500 58.200 0.144 0.000 0.907 180 S CB 0.435 63.729 63.200 0.156 0.000 0.790 180 S HN 0.709 nan 8.310 nan 0.000 0.510 181 R N -0.869 119.726 120.500 0.158 0.000 2.634 181 R HA 0.594 4.935 4.340 0.001 0.000 0.263 181 R C -3.732 172.688 176.300 0.200 0.000 1.060 181 R CA -1.767 54.428 56.100 0.158 0.000 0.898 181 R CB -0.367 30.034 30.300 0.168 0.000 1.253 181 R HN -0.099 nan 8.270 nan 0.000 0.461 182 P HA 0.155 nan 4.420 nan 0.000 0.269 182 P C -1.227 176.230 177.300 0.262 0.000 1.209 182 P CA -0.053 63.106 63.100 0.098 0.000 0.776 182 P CB 0.206 31.932 31.700 0.044 0.000 0.876 183 F N -1.014 118.981 119.950 0.075 0.000 2.668 183 F HA 0.545 5.072 4.527 0.001 0.000 0.309 183 F C -1.161 174.696 175.800 0.095 0.000 1.117 183 F CA -1.440 56.650 58.000 0.150 0.000 0.951 183 F CB 1.095 40.257 39.000 0.270 0.000 1.323 183 F HN 0.030 nan 8.300 nan 0.000 0.451 184 D N 2.448 123.001 120.400 0.256 0.000 2.380 184 D HA 0.160 4.801 4.640 0.001 0.000 0.230 184 D C 0.666 177.063 176.300 0.162 0.000 1.154 184 D CA -0.212 53.831 54.000 0.072 0.000 0.859 184 D CB 1.385 42.251 40.800 0.110 0.000 1.045 184 D HN 0.723 nan 8.370 nan 0.000 0.495 185 L N 4.851 125.974 121.223 -0.167 0.000 2.191 185 L HA -0.097 4.244 4.340 0.001 0.000 0.212 185 L C 1.452 178.315 176.870 -0.011 0.000 1.103 185 L CA 1.483 56.250 54.840 -0.122 0.000 0.769 185 L CB -0.505 41.196 42.059 -0.596 0.000 0.908 185 L HN 0.437 nan 8.230 nan 0.000 0.438 186 N N -0.392 118.307 118.700 -0.001 0.000 2.443 186 N HA -0.195 4.546 4.740 0.001 0.000 0.184 186 N C 1.561 177.157 175.510 0.143 0.000 1.037 186 N CA 0.879 54.020 53.050 0.151 0.000 0.896 186 N CB -0.129 38.424 38.487 0.109 0.000 0.959 186 N HN 0.639 nan 8.380 nan 0.000 0.442 187 Q N -0.690 119.169 119.800 0.099 0.000 2.364 187 Q HA 0.011 4.352 4.340 0.001 0.000 0.207 187 Q C -0.281 175.538 176.000 -0.302 0.000 0.970 187 Q CA 0.717 56.444 55.803 -0.127 0.000 0.888 187 Q CB 0.132 28.693 28.738 -0.295 0.000 0.951 187 Q HN 0.244 nan 8.270 nan 0.000 0.469 188 F N -1.869 118.105 119.950 0.040 0.000 2.492 188 F HA 0.355 4.883 4.527 0.002 0.000 0.327 188 F C 1.223 177.083 175.800 0.102 0.000 1.079 188 F CA -0.719 57.285 58.000 0.007 0.000 0.967 188 F CB 1.394 40.366 39.000 -0.046 0.000 1.169 188 F HN -0.177 nan 8.300 nan 0.000 0.472 189 G N 1.735 110.637 108.800 0.169 0.000 2.453 189 G HA2 0.135 4.095 3.960 0.001 0.000 0.215 189 G HA3 0.135 4.095 3.960 0.001 0.000 0.215 189 G C -0.356 174.581 174.900 0.061 0.000 1.147 189 G CA 0.405 45.528 45.100 0.039 0.000 0.802 189 G HN 0.488 nan 8.290 nan 0.000 0.535 190 L N 0.345 121.629 121.223 0.103 0.000 2.549 190 L HA 0.560 4.901 4.340 0.001 0.000 0.259 190 L C -1.304 175.584 176.870 0.029 0.000 0.934 190 L CA -1.092 53.774 54.840 0.042 0.000 0.865 190 L CB 2.325 44.353 42.059 -0.052 0.000 1.352 190 L HN 0.048 nan 8.230 nan 0.000 0.410 191 V N 1.422 121.310 119.914 -0.043 0.000 2.823 191 V HA 0.769 4.890 4.120 0.001 0.000 0.312 191 V C -1.272 174.833 176.094 0.018 0.000 1.072 191 V CA -0.498 61.693 62.300 -0.181 0.000 0.937 191 V CB 1.564 33.090 31.823 -0.494 0.000 1.013 191 V HN 0.829 nan 8.190 nan 0.000 0.430 192 Y N 1.135 121.329 120.300 -0.177 0.000 2.615 192 Y HA 1.017 5.567 4.550 0.001 0.000 0.341 192 Y C -0.554 175.274 175.900 -0.121 0.000 1.089 192 Y CA -0.844 57.189 58.100 -0.112 0.000 1.049 192 Y CB 1.848 40.274 38.460 -0.057 0.000 1.296 192 Y HN 1.275 nan 8.280 nan 0.000 0.470 193 A N 1.087 123.899 122.820 -0.014 0.000 2.512 193 A HA 0.614 4.934 4.320 0.001 0.000 0.294 193 A C -0.355 177.194 177.584 -0.058 0.000 1.054 193 A CA -0.345 51.614 52.037 -0.131 0.000 0.756 193 A CB 0.589 19.502 19.000 -0.145 0.000 1.293 193 A HN 1.619 nan 8.150 nan 0.000 0.395 194 G N 0.745 109.483 108.800 -0.105 0.000 2.353 194 G HA2 0.521 4.481 3.960 0.001 0.000 0.239 194 G HA3 0.521 4.481 3.960 0.001 0.000 0.239 194 G C 1.054 175.890 174.900 -0.106 0.000 1.295 194 G CA 0.375 45.415 45.100 -0.100 0.000 0.884 194 G HN 1.874 nan 8.290 nan 0.000 0.537 195 A N 2.058 124.833 122.820 -0.074 0.000 2.066 195 A HA -0.048 4.272 4.320 0.001 0.000 0.218 195 A C 2.260 179.768 177.584 -0.125 0.000 1.157 195 A CA 1.478 53.465 52.037 -0.082 0.000 0.670 195 A CB -0.130 18.835 19.000 -0.057 0.000 0.804 195 A HN 0.740 nan 8.150 nan 0.000 0.453 196 Q N 0.164 119.887 119.800 -0.129 0.000 2.515 196 Q HA -0.068 4.273 4.340 0.001 0.000 0.212 196 Q C 1.078 176.946 176.000 -0.220 0.000 0.970 196 Q CA 1.444 57.166 55.803 -0.135 0.000 0.941 196 Q CB -0.210 28.474 28.738 -0.090 0.000 0.998 196 Q HN 0.651 nan 8.270 nan 0.000 0.518 197 K N 0.183 120.382 120.400 -0.336 0.000 2.141 197 K HA 0.070 4.391 4.320 0.001 0.000 0.202 197 K C 1.030 177.228 176.600 -0.670 0.000 1.045 197 K CA 1.011 56.874 56.287 -0.706 0.000 0.971 197 K CB 0.404 32.399 32.500 -0.843 0.000 0.795 197 K HN 0.076 nan 8.250 nan 0.000 0.459 198 N N -0.637 117.844 118.700 -0.365 0.000 2.167 198 N HA 0.225 4.966 4.740 0.001 0.000 0.234 198 N C -0.102 175.361 175.510 -0.079 0.000 1.312 198 N CA 0.098 53.042 53.050 -0.176 0.000 0.861 198 N CB 0.879 39.310 38.487 -0.094 0.000 1.217 198 N HN -0.028 nan 8.380 nan 0.000 0.504 199 L N -1.827 119.336 121.223 -0.100 0.000 3.174 199 L HA 0.586 4.927 4.340 0.001 0.000 0.283 199 L C 0.927 177.744 176.870 -0.088 0.000 1.187 199 L CA 0.146 54.951 54.840 -0.058 0.000 1.018 199 L CB 0.937 42.974 42.059 -0.038 0.000 1.433 199 L HN 0.150 nan 8.230 nan 0.000 0.593 200 G N 0.527 109.258 108.800 -0.116 0.000 2.366 200 G HA2 0.024 3.984 3.960 0.001 0.000 0.190 200 G HA3 0.024 3.984 3.960 0.001 0.000 0.190 200 G C -3.141 171.698 174.900 -0.102 0.000 1.299 200 G CA -0.413 44.613 45.100 -0.123 0.000 1.056 200 G HN -0.194 nan 8.290 nan 0.000 0.468 201 P HA 0.528 nan 4.420 nan 0.000 0.285 201 P C -0.208 177.071 177.300 -0.035 0.000 1.285 201 P CA -0.208 62.868 63.100 -0.040 0.000 0.854 201 P CB 1.993 33.696 31.700 0.006 0.000 1.180 202 S N -1.049 114.640 115.700 -0.018 0.000 2.572 202 S HA 0.416 4.887 4.470 0.001 0.000 0.279 202 S C 1.239 175.842 174.600 0.005 0.000 1.341 202 S CA 1.287 59.479 58.200 -0.014 0.000 1.043 202 S CB -1.174 62.024 63.200 -0.003 0.000 0.887 202 S HN 0.889 nan 8.310 nan 0.000 0.516 203 G N 1.593 110.393 108.800 0.000 0.000 2.205 203 G HA2 -0.137 3.824 3.960 0.001 0.000 0.180 203 G HA3 -0.137 3.824 3.960 0.001 0.000 0.180 203 G C -0.145 174.764 174.900 0.016 0.000 1.004 203 G CA -0.016 45.092 45.100 0.014 0.000 0.670 203 G HN 1.226 nan 8.290 nan 0.000 0.496 204 V N 1.149 121.065 119.914 0.003 0.000 2.735 204 V HA 0.852 4.973 4.120 0.001 0.000 0.310 204 V C -0.506 175.604 176.094 0.027 0.000 1.061 204 V CA 0.239 62.552 62.300 0.023 0.000 0.913 204 V CB 2.279 34.093 31.823 -0.014 0.000 1.005 204 V HN 0.341 nan 8.190 nan 0.000 0.428 205 T N 5.534 120.124 114.554 0.061 0.000 2.779 205 T HA 0.531 4.882 4.350 0.001 0.000 0.280 205 T C -0.553 174.222 174.700 0.125 0.000 0.987 205 T CA -0.292 61.842 62.100 0.056 0.000 0.966 205 T CB 1.430 70.309 68.868 0.018 0.000 0.933 205 T HN 0.529 nan 8.240 nan 0.000 0.442 206 V N 4.263 124.248 119.914 0.120 0.000 2.432 206 V HA 0.417 4.538 4.120 0.001 0.000 0.275 206 V C -0.103 176.022 176.094 0.051 0.000 1.043 206 V CA -0.513 61.862 62.300 0.125 0.000 0.925 206 V CB 1.349 33.245 31.823 0.122 0.000 0.985 206 V HN 0.688 nan 8.190 nan 0.000 0.466 207 V N 6.876 126.783 119.914 -0.013 0.000 2.443 207 V HA 0.505 4.626 4.120 0.001 0.000 0.293 207 V C -0.318 175.733 176.094 -0.073 0.000 1.021 207 V CA -0.365 61.922 62.300 -0.022 0.000 0.848 207 V CB 1.716 33.510 31.823 -0.048 0.000 0.998 207 V HN 0.685 nan 8.190 nan 0.000 0.424 208 I N 5.393 125.939 120.570 -0.040 0.000 2.355 208 I HA 0.601 4.772 4.170 0.001 0.000 0.288 208 I C -0.564 175.589 176.117 0.059 0.000 0.999 208 I CA -0.736 60.557 61.300 -0.013 0.000 1.163 208 I CB 1.861 39.847 38.000 -0.023 0.000 1.316 208 I HN 0.376 nan 8.210 nan 0.000 0.454 209 V N 6.925 126.881 119.914 0.070 0.000 2.735 209 V HA 0.463 4.584 4.120 0.001 0.000 0.310 209 V C -0.211 175.863 176.094 -0.032 0.000 1.061 209 V CA -0.745 61.567 62.300 0.020 0.000 0.913 209 V CB 2.484 34.217 31.823 -0.149 0.000 1.005 209 V HN 0.789 nan 8.190 nan 0.000 0.428 210 R N 3.733 124.110 120.500 -0.204 0.000 2.421 210 R HA 0.164 4.505 4.340 0.001 0.000 0.305 210 R C 1.109 177.214 176.300 -0.325 0.000 1.039 210 R CA 0.252 55.966 56.100 -0.643 0.000 1.003 210 R CB 0.568 30.510 30.300 -0.596 0.000 0.959 210 R HN 0.863 nan 8.270 nan 0.000 0.427 211 E N 2.009 122.030 120.200 -0.298 0.000 2.118 211 E HA -0.254 4.096 4.350 0.001 0.000 0.195 211 E C 1.064 177.605 176.600 -0.099 0.000 0.992 211 E CA 1.651 57.967 56.400 -0.140 0.000 0.804 211 E CB 0.084 29.719 29.700 -0.108 0.000 0.741 211 E HN 0.727 nan 8.360 nan 0.000 0.458 212 D N 0.708 121.029 120.400 -0.133 0.000 2.310 212 D HA -0.161 4.480 4.640 0.001 0.000 0.212 212 D C 1.718 177.984 176.300 -0.056 0.000 0.965 212 D CA 0.648 54.599 54.000 -0.081 0.000 0.879 212 D CB -0.210 40.536 40.800 -0.090 0.000 0.921 212 D HN 0.271 nan 8.370 nan 0.000 0.510 213 L N 0.430 121.604 121.223 -0.081 0.000 2.492 213 L HA 0.030 4.371 4.340 0.001 0.000 0.223 213 L C 1.485 178.431 176.870 0.126 0.000 1.132 213 L CA 0.300 55.108 54.840 -0.052 0.000 0.850 213 L CB 0.342 42.270 42.059 -0.218 0.000 0.966 213 L HN 0.039 nan 8.230 nan 0.000 0.454 214 V N -5.797 114.182 119.914 0.107 0.000 3.111 214 V HA 0.431 4.552 4.120 0.001 0.000 0.343 214 V C 1.665 177.829 176.094 0.117 0.000 1.417 214 V CA 0.263 62.678 62.300 0.191 0.000 1.142 214 V CB 0.021 31.959 31.823 0.192 0.000 1.114 214 V HN 0.081 nan 8.190 nan 0.000 0.520 215 A N 0.900 123.764 122.820 0.074 0.000 1.940 215 A HA -0.010 4.311 4.320 0.001 0.000 0.219 215 A C 1.058 178.674 177.584 0.053 0.000 1.176 215 A CA 1.563 53.629 52.037 0.048 0.000 0.631 215 A CB -0.200 18.817 19.000 0.029 0.000 0.814 215 A HN 0.729 nan 8.150 nan 0.000 0.446 216 E N 0.285 120.526 120.200 0.067 0.000 2.373 216 E HA 0.357 4.707 4.350 0.001 0.000 0.251 216 E C -1.178 175.462 176.600 0.066 0.000 0.923 216 E CA -0.334 56.098 56.400 0.054 0.000 0.798 216 E CB 1.645 31.374 29.700 0.047 0.000 1.303 216 E HN 0.285 nan 8.360 nan 0.000 0.412 217 S N 2.746 118.471 115.700 0.041 0.000 2.617 217 S HA 0.317 4.787 4.470 0.001 0.000 0.269 217 S C -2.280 172.307 174.600 -0.022 0.000 1.292 217 S CA -1.192 57.016 58.200 0.012 0.000 1.010 217 S CB 0.446 63.624 63.200 -0.036 0.000 0.944 217 S HN 0.299 nan 8.310 nan 0.000 0.536 218 P HA 0.128 nan 4.420 nan 0.000 0.263 218 P C -0.045 177.169 177.300 -0.144 0.000 1.195 218 P CA 0.083 63.157 63.100 -0.044 0.000 0.762 218 P CB 0.296 31.954 31.700 -0.070 0.000 0.799 219 K N 2.059 122.448 120.400 -0.019 0.000 2.486 219 K HA -0.082 4.239 4.320 0.001 0.000 0.194 219 K C 1.546 178.117 176.600 -0.047 0.000 1.033 219 K CA 0.536 56.798 56.287 -0.040 0.000 1.004 219 K CB -0.128 32.380 32.500 0.013 0.000 0.798 219 K HN 0.683 nan 8.250 nan 0.000 0.495 220 H N -0.150 118.908 119.070 -0.020 0.000 2.548 220 H HA 0.113 4.670 4.556 0.001 0.000 0.268 220 H C 0.516 175.827 175.328 -0.028 0.000 0.975 220 H CA -0.112 55.925 56.048 -0.019 0.000 1.195 220 H CB -0.258 29.498 29.762 -0.010 0.000 1.397 220 H HN 0.025 nan 8.280 nan 0.000 0.572 221 L N 2.487 123.363 121.223 -0.578 0.000 2.436 221 L HA 0.216 4.557 4.340 0.001 0.000 0.265 221 L C -1.840 174.916 176.870 -0.189 0.000 1.168 221 L CA -1.939 52.666 54.840 -0.391 0.000 0.815 221 L CB 0.336 42.142 42.059 -0.422 0.000 1.109 221 L HN 0.022 nan 8.230 nan 0.000 0.462 222 P HA -0.028 nan 4.420 nan 0.000 0.265 222 P C 0.584 177.809 177.300 -0.126 0.000 1.187 222 P CA 0.149 63.196 63.100 -0.090 0.000 0.766 222 P CB 0.461 32.124 31.700 -0.060 0.000 0.820 223 T N 1.611 116.091 114.554 -0.123 0.000 2.699 223 T HA -0.149 4.202 4.350 0.001 0.000 0.268 223 T C 1.611 176.172 174.700 -0.231 0.000 1.036 223 T CA 1.377 63.350 62.100 -0.213 0.000 1.147 223 T CB -0.364 68.363 68.868 -0.234 0.000 0.862 223 T HN 0.377 nan 8.240 nan 0.000 0.446 224 M N 0.399 119.930 119.600 -0.115 0.000 2.630 224 M HA 0.191 4.671 4.480 0.001 0.000 0.254 224 M C 1.385 177.707 176.300 0.037 0.000 1.092 224 M CA 0.833 56.113 55.300 -0.033 0.000 1.087 224 M CB -0.799 31.833 32.600 0.054 0.000 1.453 224 M HN 0.254 nan 8.290 nan 0.000 0.509 225 L N -0.602 120.575 121.223 -0.076 0.000 2.769 225 L HA 0.170 4.511 4.340 0.001 0.000 0.240 225 L C 0.319 177.025 176.870 -0.272 0.000 1.163 225 L CA -0.087 54.658 54.840 -0.158 0.000 0.962 225 L CB 0.211 42.177 42.059 -0.154 0.000 1.258 225 L HN 0.093 nan 8.230 nan 0.000 0.513 226 R N -1.234 119.143 120.500 -0.205 0.000 2.312 226 R HA 0.196 4.537 4.340 0.001 0.000 0.311 226 R C 0.264 176.488 176.300 -0.127 0.000 1.004 226 R CA -0.416 55.547 56.100 -0.228 0.000 0.902 226 R CB 0.951 31.146 30.300 -0.175 0.000 1.073 226 R HN -0.001 nan 8.270 nan 0.000 0.457 227 Y N 1.116 121.413 120.300 -0.005 0.000 2.224 227 Y HA -0.267 4.284 4.550 0.001 0.000 0.289 227 Y C 2.076 178.048 175.900 0.120 0.000 1.146 227 Y CA 1.409 59.557 58.100 0.081 0.000 1.182 227 Y CB 0.058 38.525 38.460 0.012 0.000 0.983 227 Y HN 0.691 nan 8.280 nan 0.000 0.524 228 D N -1.363 119.134 120.400 0.162 0.000 2.264 228 D HA -0.132 4.508 4.640 0.001 0.000 0.208 228 D C 1.675 177.986 176.300 0.019 0.000 0.966 228 D CA 1.463 55.519 54.000 0.093 0.000 0.864 228 D CB -1.094 39.733 40.800 0.045 0.000 0.933 228 D HN 0.168 nan 8.370 nan 0.000 0.499 229 T N -0.195 114.315 114.554 -0.072 0.000 2.699 229 T HA -0.198 4.152 4.350 0.001 0.000 0.268 229 T C 1.432 175.993 174.700 -0.232 0.000 1.036 229 T CA 1.498 63.427 62.100 -0.286 0.000 1.147 229 T CB -0.523 68.015 68.868 -0.551 0.000 0.862 229 T HN 0.279 nan 8.240 nan 0.000 0.446 230 Y N 0.461 120.776 120.300 0.025 0.000 2.286 230 Y HA 0.013 4.563 4.550 0.001 0.000 0.293 230 Y C 2.547 178.501 175.900 0.089 0.000 1.124 230 Y CA 0.179 58.335 58.100 0.093 0.000 1.178 230 Y CB -0.639 37.891 38.460 0.118 0.000 1.010 230 Y HN -0.003 nan 8.280 nan 0.000 0.536 231 V N 0.431 120.474 119.914 0.216 0.000 2.270 231 V HA -0.288 3.833 4.120 0.001 0.000 0.245 231 V C 2.060 178.211 176.094 0.094 0.000 1.043 231 V CA 1.941 64.321 62.300 0.134 0.000 1.014 231 V CB -0.578 31.307 31.823 0.103 0.000 0.645 231 V HN 0.325 nan 8.190 nan 0.000 0.447 232 K N 0.399 120.838 120.400 0.066 0.000 2.211 232 K HA -0.155 4.166 4.320 0.001 0.000 0.204 232 K C 1.193 177.832 176.600 0.064 0.000 1.047 232 K CA 1.842 58.157 56.287 0.047 0.000 0.935 232 K CB -0.248 32.264 32.500 0.019 0.000 0.728 232 K HN 0.525 nan 8.250 nan 0.000 0.452 233 N N 0.411 119.160 118.700 0.081 0.000 2.204 233 N HA -0.001 4.740 4.740 0.001 0.000 0.219 233 N C -0.599 175.000 175.510 0.149 0.000 1.151 233 N CA -0.167 52.950 53.050 0.112 0.000 0.867 233 N CB 0.536 39.111 38.487 0.147 0.000 1.043 233 N HN 0.044 nan 8.380 nan 0.000 0.516 234 N N 1.036 119.834 118.700 0.163 0.000 2.716 234 N HA -0.262 4.479 4.740 0.001 0.000 0.250 234 N C -0.818 174.923 175.510 0.385 0.000 1.033 234 N CA 1.005 54.191 53.050 0.227 0.000 0.727 234 N CB -1.539 37.071 38.487 0.206 0.000 0.950 234 N HN 0.175 nan 8.380 nan 0.000 0.541 235 S N -2.318 113.603 115.700 0.368 0.000 3.476 235 S HA -0.234 4.236 4.470 0.001 0.000 0.309 235 S C 0.612 175.465 174.600 0.421 0.000 1.222 235 S CA 1.024 59.527 58.200 0.506 0.000 0.922 235 S CB -1.490 62.076 63.200 0.611 0.000 1.023 235 S HN 0.553 nan 8.310 nan 0.000 0.591 236 L N -0.705 120.673 121.223 0.259 0.000 3.122 236 L HA 0.290 4.631 4.340 0.001 0.000 0.274 236 L C 1.479 178.441 176.870 0.155 0.000 1.222 236 L CA -0.186 54.766 54.840 0.188 0.000 1.028 236 L CB -0.089 42.029 42.059 0.099 0.000 1.386 236 L HN 0.399 nan 8.230 nan 0.000 0.578 237 Y N 2.242 122.539 120.300 -0.005 0.000 2.165 237 Y HA -0.198 4.353 4.550 0.002 0.000 0.286 237 Y C 1.478 177.365 175.900 -0.021 0.000 1.155 237 Y CA 1.573 59.639 58.100 -0.056 0.000 1.164 237 Y CB 0.211 38.557 38.460 -0.189 0.000 0.978 237 Y HN 0.485 nan 8.280 nan 0.000 0.513 238 N N -1.242 117.392 118.700 -0.110 0.000 3.002 238 N HA 0.139 4.880 4.740 0.001 0.000 0.331 238 N C -1.019 174.381 175.510 -0.182 0.000 1.384 238 N CA -0.194 52.748 53.050 -0.181 0.000 0.780 238 N CB 0.542 38.959 38.487 -0.117 0.000 1.492 238 N HN -0.065 nan 8.380 nan 0.000 0.608 239 T N 2.413 116.753 114.554 -0.358 0.000 2.799 239 T HA 0.272 4.623 4.350 0.001 0.000 0.296 239 T C -2.033 172.514 174.700 -0.255 0.000 0.947 239 T CA -0.493 61.222 62.100 -0.641 0.000 1.141 239 T CB 0.593 69.127 68.868 -0.556 0.000 0.891 239 T HN 0.471 nan 8.240 nan 0.000 0.533 240 P HA 0.288 nan 4.420 nan 0.000 0.277 240 P C -2.724 174.567 177.300 -0.015 0.000 1.271 240 P CA -1.973 61.161 63.100 0.056 0.000 0.795 240 P CB -0.076 31.768 31.700 0.240 0.000 1.101 241 P HA 0.048 nan 4.420 nan 0.000 0.244 241 P C 0.998 178.319 177.300 0.034 0.000 1.769 241 P CA 0.074 63.192 63.100 0.029 0.000 1.102 241 P CB -0.467 31.261 31.700 0.046 0.000 1.937 242 S N 1.584 117.256 115.700 -0.047 0.000 2.368 242 S HA -0.191 4.280 4.470 0.001 0.000 0.224 242 S C 1.670 176.351 174.600 0.134 0.000 1.029 242 S CA 0.501 58.639 58.200 -0.102 0.000 0.988 242 S CB -1.269 61.543 63.200 -0.646 0.000 0.838 242 S HN 0.210 nan 8.310 nan 0.000 0.462 243 F N 3.228 123.168 119.950 -0.017 0.000 2.186 243 F HA 0.192 4.719 4.527 0.001 0.000 0.299 243 F C 2.367 178.258 175.800 0.152 0.000 1.090 243 F CA 0.796 58.842 58.000 0.077 0.000 1.307 243 F CB -0.938 38.081 39.000 0.032 0.000 1.019 243 F HN 0.299 nan 8.300 nan 0.000 0.489 244 G N 0.412 109.257 108.800 0.076 0.000 2.408 244 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 244 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 244 G C 1.801 176.610 174.900 -0.152 0.000 1.150 244 G CA 1.097 46.171 45.100 -0.044 0.000 0.776 244 G HN 0.441 nan 8.290 nan 0.000 0.542 245 I N -0.651 119.837 120.570 -0.136 0.000 2.353 245 I HA -0.093 4.078 4.170 0.001 0.000 0.248 245 I C 2.420 178.427 176.117 -0.182 0.000 1.119 245 I CA 0.898 62.012 61.300 -0.309 0.000 1.417 245 I CB -0.250 37.549 38.000 -0.336 0.000 1.078 245 I HN 0.270 nan 8.210 nan 0.000 0.421 246 Y N 1.306 121.512 120.300 -0.157 0.000 2.165 246 Y HA -0.304 4.247 4.550 0.001 0.000 0.286 246 Y C 2.523 178.272 175.900 -0.251 0.000 1.155 246 Y CA 1.739 59.733 58.100 -0.177 0.000 1.164 246 Y CB -0.101 38.255 38.460 -0.174 0.000 0.978 246 Y HN 0.008 nan 8.280 nan 0.000 0.513 247 M N -0.630 118.666 119.600 -0.506 0.000 2.175 247 M HA -0.158 4.323 4.480 0.001 0.000 0.264 247 M C 2.204 178.296 176.300 -0.346 0.000 1.063 247 M CA 1.086 56.074 55.300 -0.520 0.000 1.119 247 M CB -1.271 31.099 32.600 -0.384 0.000 1.377 247 M HN 0.276 nan 8.290 nan 0.000 0.415 248 V N 1.085 120.837 119.914 -0.269 0.000 2.287 248 V HA -0.293 3.828 4.120 0.001 0.000 0.248 248 V C 2.226 178.223 176.094 -0.162 0.000 1.053 248 V CA 2.114 64.302 62.300 -0.187 0.000 1.027 248 V CB -1.035 30.677 31.823 -0.186 0.000 0.646 248 V HN 0.459 nan 8.190 nan 0.000 0.447 249 N N 0.110 118.689 118.700 -0.203 0.000 2.104 249 N HA -0.200 4.541 4.740 0.001 0.000 0.190 249 N C 1.819 177.240 175.510 -0.148 0.000 1.024 249 N CA 1.597 54.560 53.050 -0.145 0.000 0.853 249 N CB -0.153 38.246 38.487 -0.147 0.000 1.008 249 N HN 0.434 nan 8.380 nan 0.000 0.424 250 E N -0.121 119.916 120.200 -0.273 0.000 2.077 250 E HA -0.092 4.258 4.350 0.001 0.000 0.193 250 E C 2.127 178.689 176.600 -0.064 0.000 0.989 250 E CA 0.701 56.980 56.400 -0.202 0.000 0.800 250 E CB -0.526 28.968 29.700 -0.342 0.000 0.746 250 E HN 0.235 nan 8.360 nan 0.000 0.452 251 V N 1.712 121.576 119.914 -0.084 0.000 2.407 251 V HA -0.230 3.891 4.120 0.001 0.000 0.248 251 V C 2.514 178.696 176.094 0.146 0.000 1.055 251 V CA 1.268 63.582 62.300 0.023 0.000 1.049 251 V CB -0.528 31.269 31.823 -0.044 0.000 0.662 251 V HN 0.199 nan 8.190 nan 0.000 0.455 252 L N -0.560 120.701 121.223 0.063 0.000 2.046 252 L HA -0.207 4.134 4.340 0.001 0.000 0.208 252 L C 2.572 179.485 176.870 0.072 0.000 1.077 252 L CA 1.683 56.565 54.840 0.069 0.000 0.747 252 L CB -0.706 41.371 42.059 0.030 0.000 0.896 252 L HN 0.290 nan 8.230 nan 0.000 0.432 253 K N -0.667 119.770 120.400 0.061 0.000 2.032 253 K HA -0.265 4.055 4.320 0.001 0.000 0.209 253 K C 1.931 178.590 176.600 0.099 0.000 1.048 253 K CA 2.154 58.476 56.287 0.058 0.000 0.927 253 K CB -0.395 32.133 32.500 0.046 0.000 0.712 253 K HN 0.331 nan 8.250 nan 0.000 0.441 254 W N 1.790 123.067 121.300 -0.039 0.000 2.358 254 W HA -0.120 4.541 4.660 0.001 0.000 0.303 254 W C 1.533 178.041 176.519 -0.018 0.000 1.208 254 W CA 1.206 58.536 57.345 -0.026 0.000 1.274 254 W CB -0.117 29.325 29.460 -0.030 0.000 1.138 254 W HN -0.072 nan 8.180 nan 0.000 0.515 255 I N 0.687 121.312 120.570 0.093 0.000 2.208 255 I HA -0.308 3.862 4.170 0.001 0.000 0.245 255 I C 2.375 178.363 176.117 -0.215 0.000 1.097 255 I CA 2.023 63.232 61.300 -0.152 0.000 1.363 255 I CB -0.746 37.289 38.000 0.059 0.000 1.051 255 I HN 0.019 nan 8.210 nan 0.000 0.413 256 E N 1.560 121.693 120.200 -0.111 0.000 2.077 256 E HA -0.248 4.102 4.350 0.001 0.000 0.193 256 E C 1.922 178.429 176.600 -0.155 0.000 0.989 256 E CA 1.579 57.915 56.400 -0.107 0.000 0.800 256 E CB -0.105 29.561 29.700 -0.056 0.000 0.746 256 E HN 0.440 nan 8.360 nan 0.000 0.452 257 E N -0.563 119.522 120.200 -0.191 0.000 2.268 257 E HA -0.091 4.260 4.350 0.001 0.000 0.195 257 E C 1.456 177.878 176.600 -0.298 0.000 0.995 257 E CA 0.437 56.714 56.400 -0.205 0.000 0.836 257 E CB 0.083 29.679 29.700 -0.173 0.000 0.763 257 E HN 0.079 nan 8.360 nan 0.000 0.491 258 R N -0.313 119.908 120.500 -0.465 0.000 2.320 258 R HA 0.084 4.425 4.340 0.001 0.000 0.211 258 R C 0.897 177.031 176.300 -0.276 0.000 0.931 258 R CA 0.659 56.476 56.100 -0.472 0.000 1.071 258 R CB 0.528 30.345 30.300 -0.805 0.000 1.025 258 R HN 0.281 nan 8.270 nan 0.000 0.495 259 G N 0.128 108.806 108.800 -0.202 0.000 2.134 259 G HA2 -0.186 3.775 3.960 0.001 0.000 0.209 259 G HA3 -0.186 3.775 3.960 0.001 0.000 0.209 259 G C 0.548 175.381 174.900 -0.111 0.000 0.993 259 G CA 0.228 45.249 45.100 -0.132 0.000 0.669 259 G HN 0.707 nan 8.290 nan 0.000 0.519 260 G N -1.021 107.704 108.800 -0.126 0.000 2.698 260 G HA2 -0.136 3.825 3.960 0.001 0.000 0.233 260 G HA3 -0.136 3.825 3.960 0.001 0.000 0.233 260 G C 0.999 175.860 174.900 -0.065 0.000 1.352 260 G CA 0.095 45.144 45.100 -0.085 0.000 0.879 260 G HN 1.128 nan 8.290 nan 0.000 0.567 261 L N 0.145 121.345 121.223 -0.038 0.000 2.141 261 L HA -0.019 4.322 4.340 0.001 0.000 0.209 261 L C 2.859 179.728 176.870 -0.002 0.000 1.094 261 L CA 2.052 56.889 54.840 -0.006 0.000 0.763 261 L CB -0.528 41.532 42.059 0.002 0.000 0.908 261 L HN 0.745 nan 8.230 nan 0.000 0.437 262 E N 0.163 120.353 120.200 -0.017 0.000 2.106 262 E HA -0.137 4.214 4.350 0.001 0.000 0.192 262 E C 2.236 178.822 176.600 -0.023 0.000 0.984 262 E CA 0.980 57.373 56.400 -0.012 0.000 0.806 262 E CB -0.186 29.503 29.700 -0.019 0.000 0.750 262 E HN 0.551 nan 8.360 nan 0.000 0.458 263 G N 1.368 110.139 108.800 -0.048 0.000 2.404 263 G HA2 -0.227 3.734 3.960 0.001 0.000 0.215 263 G HA3 -0.227 3.734 3.960 0.001 0.000 0.215 263 G C 1.859 176.723 174.900 -0.059 0.000 1.174 263 G CA 1.157 46.217 45.100 -0.068 0.000 0.780 263 G HN 0.280 nan 8.290 nan 0.000 0.537 264 V N -1.262 118.620 119.914 -0.054 0.000 2.515 264 V HA -0.140 3.980 4.120 0.001 0.000 0.250 264 V C 2.455 178.571 176.094 0.037 0.000 1.058 264 V CA 2.339 64.634 62.300 -0.009 0.000 1.064 264 V CB -0.665 31.172 31.823 0.024 0.000 0.675 264 V HN 0.443 nan 8.190 nan 0.000 0.461 265 Q N 0.299 120.121 119.800 0.036 0.000 2.061 265 Q HA -0.316 4.025 4.340 0.001 0.000 0.204 265 Q C 2.511 178.536 176.000 0.041 0.000 0.984 265 Q CA 2.430 58.265 55.803 0.053 0.000 0.846 265 Q CB -0.255 28.514 28.738 0.052 0.000 0.902 265 Q HN 0.853 nan 8.270 nan 0.000 0.421 266 Q N -0.556 119.253 119.800 0.015 0.000 2.079 266 Q HA -0.165 4.176 4.340 0.001 0.000 0.200 266 Q C 1.912 177.914 176.000 0.003 0.000 0.974 266 Q CA 1.288 57.093 55.803 0.004 0.000 0.840 266 Q CB -0.178 28.550 28.738 -0.016 0.000 0.898 266 Q HN 0.471 nan 8.270 nan 0.000 0.430 267 A N 1.244 124.066 122.820 0.003 0.000 1.902 267 A HA -0.212 4.109 4.320 0.001 0.000 0.217 267 A C 1.780 179.403 177.584 0.065 0.000 1.181 267 A CA 1.687 53.731 52.037 0.012 0.000 0.623 267 A CB -0.617 18.397 19.000 0.024 0.000 0.818 267 A HN 0.462 nan 8.150 nan 0.000 0.443 268 N N -0.624 118.126 118.700 0.084 0.000 2.216 268 N HA -0.123 4.618 4.740 0.001 0.000 0.183 268 N C 1.773 177.348 175.510 0.108 0.000 1.017 268 N CA 1.429 54.546 53.050 0.112 0.000 0.861 268 N CB -0.423 38.136 38.487 0.119 0.000 0.986 268 N HN 0.548 nan 8.380 nan 0.000 0.428 269 R N 1.772 122.324 120.500 0.086 0.000 2.096 269 R HA -0.004 4.337 4.340 0.001 0.000 0.235 269 R C 1.957 178.314 176.300 0.094 0.000 1.127 269 R CA 1.323 57.477 56.100 0.090 0.000 0.968 269 R CB -0.133 30.205 30.300 0.063 0.000 0.861 269 R HN 0.162 nan 8.270 nan 0.000 0.440 270 K N 0.348 120.788 120.400 0.066 0.000 2.057 270 K HA -0.166 4.155 4.320 0.001 0.000 0.206 270 K C 1.648 178.362 176.600 0.190 0.000 1.050 270 K CA 1.672 57.996 56.287 0.062 0.000 0.935 270 K CB 0.026 32.480 32.500 -0.078 0.000 0.715 270 K HN 0.110 nan 8.250 nan 0.000 0.439 271 K N 0.200 120.740 120.400 0.235 0.000 2.009 271 K HA -0.132 4.189 4.320 0.001 0.000 0.210 271 K C 2.151 178.842 176.600 0.152 0.000 1.049 271 K CA 1.604 58.057 56.287 0.277 0.000 0.929 271 K CB -0.214 32.417 32.500 0.220 0.000 0.714 271 K HN 0.218 nan 8.250 nan 0.000 0.440 272 A N 0.514 123.410 122.820 0.126 0.000 1.898 272 A HA -0.159 4.162 4.320 0.001 0.000 0.216 272 A C 2.206 179.882 177.584 0.155 0.000 1.181 272 A CA 1.903 53.992 52.037 0.086 0.000 0.620 272 A CB -0.722 18.389 19.000 0.185 0.000 0.819 272 A HN 0.277 nan 8.150 nan 0.000 0.442 273 S N -0.755 115.057 115.700 0.186 0.000 2.382 273 S HA -0.143 4.327 4.470 0.001 0.000 0.228 273 S C 1.919 176.598 174.600 0.132 0.000 1.027 273 S CA 1.501 59.809 58.200 0.182 0.000 0.991 273 S CB -0.451 62.825 63.200 0.126 0.000 0.823 273 S HN 0.460 nan 8.310 nan 0.000 0.469 274 L N 1.200 122.495 121.223 0.120 0.000 2.046 274 L HA 0.097 4.438 4.340 0.001 0.000 0.208 274 L C 2.028 178.889 176.870 -0.014 0.000 1.077 274 L CA 1.725 56.614 54.840 0.082 0.000 0.747 274 L CB -0.413 41.724 42.059 0.130 0.000 0.896 274 L HN 0.405 nan 8.230 nan 0.000 0.432 275 I N -2.231 118.288 120.570 -0.085 0.000 2.333 275 I HA -0.275 3.896 4.170 0.001 0.000 0.246 275 I C 2.082 178.029 176.117 -0.284 0.000 1.106 275 I CA 1.037 62.188 61.300 -0.249 0.000 1.411 275 I CB -0.377 37.421 38.000 -0.336 0.000 1.082 275 I HN 0.195 nan 8.210 nan 0.000 0.420 276 Y N 1.170 121.402 120.300 -0.114 0.000 2.207 276 Y HA -0.303 4.248 4.550 0.001 0.000 0.287 276 Y C 2.330 178.178 175.900 -0.087 0.000 1.156 276 Y CA 1.066 59.102 58.100 -0.106 0.000 1.182 276 Y CB -0.239 38.191 38.460 -0.049 0.000 0.979 276 Y HN 0.204 nan 8.280 nan 0.000 0.521 277 D N -0.286 120.167 120.400 0.089 0.000 2.117 277 D HA -0.162 4.479 4.640 0.001 0.000 0.197 277 D C 2.240 178.544 176.300 0.007 0.000 0.987 277 D CA 1.305 55.335 54.000 0.050 0.000 0.829 277 D CB -0.476 40.351 40.800 0.046 0.000 0.961 277 D HN 0.336 nan 8.370 nan 0.000 0.460 278 A N 0.482 123.270 122.820 -0.052 0.000 1.902 278 A HA -0.146 4.175 4.320 0.001 0.000 0.217 278 A C 2.353 179.897 177.584 -0.067 0.000 1.181 278 A CA 0.973 52.962 52.037 -0.079 0.000 0.623 278 A CB -0.692 18.207 19.000 -0.168 0.000 0.818 278 A HN 0.196 nan 8.150 nan 0.000 0.443 279 I N -0.134 120.338 120.570 -0.163 0.000 2.142 279 I HA -0.230 3.941 4.170 0.001 0.000 0.240 279 I C 1.918 178.075 176.117 0.066 0.000 1.078 279 I CA 1.600 62.845 61.300 -0.093 0.000 1.343 279 I CB -0.425 37.435 38.000 -0.233 0.000 1.046 279 I HN 0.214 nan 8.210 nan 0.000 0.405 280 D N 0.469 120.902 120.400 0.054 0.000 2.144 280 D HA -0.188 4.453 4.640 0.001 0.000 0.199 280 D C 2.019 178.359 176.300 0.066 0.000 0.984 280 D CA 1.191 55.230 54.000 0.066 0.000 0.834 280 D CB -0.262 40.571 40.800 0.055 0.000 0.955 280 D HN 0.461 nan 8.370 nan 0.000 0.465 281 Q N 0.036 119.874 119.800 0.063 0.000 2.415 281 Q HA 0.036 4.377 4.340 0.001 0.000 0.206 281 Q C 1.325 177.372 176.000 0.078 0.000 0.946 281 Q CA 0.188 56.026 55.803 0.058 0.000 0.951 281 Q CB 0.198 28.962 28.738 0.043 0.000 1.026 281 Q HN 0.167 nan 8.270 nan 0.000 0.510 282 S N -1.006 114.768 115.700 0.124 0.000 2.605 282 S HA 0.196 4.667 4.470 0.001 0.000 0.217 282 S C 1.323 175.991 174.600 0.114 0.000 0.958 282 S CA 0.118 58.413 58.200 0.159 0.000 0.919 282 S CB 0.169 63.579 63.200 0.350 0.000 0.780 282 S HN 0.448 nan 8.310 nan 0.000 0.507 283 G N 0.687 109.536 108.800 0.083 0.000 2.249 283 G HA2 0.059 4.020 3.960 0.001 0.000 0.273 283 G HA3 0.059 4.020 3.960 0.001 0.000 0.273 283 G C 1.060 176.002 174.900 0.070 0.000 1.036 283 G CA 0.313 45.449 45.100 0.060 0.000 0.824 283 G HN 1.863 nan 8.290 nan 0.000 0.504 284 G N -1.842 107.007 108.800 0.082 0.000 2.176 284 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 284 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 284 G C 1.047 175.978 174.900 0.051 0.000 0.979 284 G CA 1.010 46.147 45.100 0.062 0.000 0.641 284 G HN 1.461 nan 8.290 nan 0.000 0.530 285 F N 0.821 120.709 119.950 -0.103 0.000 2.146 285 F HA 0.309 4.837 4.527 0.001 0.000 0.298 285 F C 1.150 176.727 175.800 -0.372 0.000 1.096 285 F CA 1.103 58.943 58.000 -0.266 0.000 1.275 285 F CB 0.051 38.816 39.000 -0.392 0.000 1.008 285 F HN 0.244 nan 8.300 nan 0.000 0.480 286 Y N 0.344 120.761 120.300 0.196 0.000 2.409 286 Y HA 0.503 5.054 4.550 0.001 0.000 0.339 286 Y C -0.015 175.931 175.900 0.077 0.000 1.033 286 Y CA -1.085 57.085 58.100 0.116 0.000 1.094 286 Y CB 1.225 39.751 38.460 0.110 0.000 1.210 286 Y HN -0.267 nan 8.280 nan 0.000 0.456 287 R N 1.450 122.098 120.500 0.247 0.000 2.502 287 R HA 0.533 4.873 4.340 0.001 0.000 0.300 287 R C -0.407 176.009 176.300 0.192 0.000 0.984 287 R CA -0.705 55.487 56.100 0.155 0.000 0.882 287 R CB 1.198 31.543 30.300 0.076 0.000 1.180 287 R HN 0.935 nan 8.270 nan 0.000 0.444 288 G N 1.815 110.714 108.800 0.165 0.000 2.442 288 G HA2 0.097 4.058 3.960 0.001 0.000 0.249 288 G HA3 0.097 4.058 3.960 0.001 0.000 0.249 288 G C 0.732 175.718 174.900 0.142 0.000 1.263 288 G CA -0.668 44.549 45.100 0.196 0.000 0.846 288 G HN 0.830 nan 8.290 nan 0.000 0.555 289 C N 1.117 120.505 119.300 0.148 0.000 2.486 289 C HA 0.100 4.560 4.460 0.001 0.000 0.279 289 C C 1.674 176.707 174.990 0.070 0.000 1.302 289 C CA 0.739 59.811 59.018 0.091 0.000 1.720 289 C CB -0.933 26.857 27.740 0.083 0.000 2.030 289 C HN 0.642 nan 8.230 nan 0.000 0.490 290 V N -0.133 119.829 119.914 0.080 0.000 2.997 290 V HA 0.440 4.561 4.120 0.001 0.000 0.311 290 V C -0.385 175.717 176.094 0.013 0.000 1.066 290 V CA -0.651 61.675 62.300 0.043 0.000 1.039 290 V CB 0.402 32.250 31.823 0.042 0.000 1.081 290 V HN 0.175 nan 8.190 nan 0.000 0.467 291 D N 1.068 121.463 120.400 -0.008 0.000 2.382 291 D HA 0.086 4.726 4.640 0.001 0.000 0.240 291 D C 1.025 177.293 176.300 -0.054 0.000 1.146 291 D CA 0.347 54.332 54.000 -0.025 0.000 0.897 291 D CB 1.891 42.677 40.800 -0.024 0.000 1.197 291 D HN 0.505 nan 8.370 nan 0.000 0.432 292 V N 2.165 122.038 119.914 -0.068 0.000 2.332 292 V HA -0.233 3.888 4.120 0.001 0.000 0.248 292 V C 1.268 177.291 176.094 -0.119 0.000 1.055 292 V CA 1.880 64.110 62.300 -0.117 0.000 1.038 292 V CB -0.126 31.638 31.823 -0.098 0.000 0.651 292 V HN 0.474 nan 8.190 nan 0.000 0.450 293 D N -0.542 119.811 120.400 -0.078 0.000 2.371 293 D HA -0.040 4.601 4.640 0.001 0.000 0.221 293 D C 2.008 178.266 176.300 -0.071 0.000 0.986 293 D CA 1.148 55.108 54.000 -0.067 0.000 0.899 293 D CB 0.213 40.989 40.800 -0.040 0.000 0.902 293 D HN 0.473 nan 8.370 nan 0.000 0.530 294 S N -0.095 115.559 115.700 -0.078 0.000 2.556 294 S HA 0.100 4.571 4.470 0.001 0.000 0.216 294 S C 0.717 175.277 174.600 -0.067 0.000 0.970 294 S CA -0.375 57.774 58.200 -0.086 0.000 0.912 294 S CB 0.736 63.888 63.200 -0.079 0.000 0.790 294 S HN 0.148 nan 8.310 nan 0.000 0.504 295 R N 2.364 122.810 120.500 -0.089 0.000 2.484 295 R HA 0.129 4.470 4.340 0.001 0.000 0.293 295 R C 0.337 176.666 176.300 0.048 0.000 1.023 295 R CA 0.100 56.164 56.100 -0.061 0.000 1.037 295 R CB 0.347 30.411 30.300 -0.393 0.000 0.951 295 R HN 0.100 nan 8.270 nan 0.000 0.418 296 S N 1.257 117.050 115.700 0.156 0.000 2.565 296 S HA 0.021 4.491 4.470 0.001 0.000 0.276 296 S C 0.287 175.034 174.600 0.246 0.000 1.326 296 S CA -0.686 57.611 58.200 0.162 0.000 1.045 296 S CB 0.830 64.116 63.200 0.142 0.000 0.918 296 S HN 0.475 nan 8.310 nan 0.000 0.505 297 D N 3.290 123.798 120.400 0.180 0.000 2.339 297 D HA 0.192 4.833 4.640 0.001 0.000 0.217 297 D C 1.107 177.473 176.300 0.110 0.000 1.050 297 D CA 0.449 54.554 54.000 0.174 0.000 0.856 297 D CB 0.234 41.123 40.800 0.149 0.000 0.922 297 D HN 0.460 nan 8.370 nan 0.000 0.518 298 M N -0.662 118.993 119.600 0.093 0.000 2.730 298 M HA 0.151 4.632 4.480 0.001 0.000 0.258 298 M C -0.160 176.078 176.300 -0.104 0.000 1.279 298 M CA 0.615 55.929 55.300 0.024 0.000 1.183 298 M CB 0.425 33.119 32.600 0.157 0.000 1.291 298 M HN -0.173 nan 8.290 nan 0.000 0.518 299 N N 1.099 119.800 118.700 0.002 0.000 2.549 299 N HA 0.419 5.160 4.740 0.001 0.000 0.281 299 N C -1.337 174.205 175.510 0.054 0.000 1.084 299 N CA -0.115 52.935 53.050 0.000 0.000 0.862 299 N CB 2.509 41.033 38.487 0.063 0.000 1.333 299 N HN 0.119 nan 8.380 nan 0.000 0.523 300 I N 2.033 122.613 120.570 0.015 0.000 2.312 300 I HA 0.187 4.358 4.170 0.001 0.000 0.290 300 I C 0.514 176.728 176.117 0.161 0.000 1.008 300 I CA -0.415 60.886 61.300 0.003 0.000 1.226 300 I CB 1.199 39.007 38.000 -0.320 0.000 1.371 300 I HN 0.343 nan 8.210 nan 0.000 0.468 301 T N 4.098 118.774 114.554 0.203 0.000 2.824 301 T HA 0.790 5.140 4.350 0.001 0.000 0.280 301 T C -0.577 174.295 174.700 0.287 0.000 0.995 301 T CA -0.605 61.597 62.100 0.170 0.000 1.009 301 T CB 1.331 70.254 68.868 0.092 0.000 0.955 301 T HN 0.444 nan 8.240 nan 0.000 0.452 302 F N -0.883 119.036 119.950 -0.052 0.000 2.741 302 F HA 0.811 5.338 4.527 0.001 0.000 0.313 302 F C -0.997 174.761 175.800 -0.070 0.000 1.153 302 F CA -1.616 56.358 58.000 -0.043 0.000 0.931 302 F CB 1.565 40.530 39.000 -0.058 0.000 1.335 302 F HN 0.548 nan 8.300 nan 0.000 0.460 303 R N 1.086 121.624 120.500 0.063 0.000 2.807 303 R HA 0.741 5.082 4.340 0.001 0.000 0.276 303 R C -1.509 174.763 176.300 -0.047 0.000 0.979 303 R CA -1.035 55.015 56.100 -0.083 0.000 0.928 303 R CB 2.387 32.652 30.300 -0.058 0.000 1.191 303 R HN 0.508 nan 8.270 nan 0.000 0.471 304 L N 0.319 121.436 121.223 -0.178 0.000 2.578 304 L HA 0.468 4.809 4.340 0.001 0.000 0.259 304 L C 1.466 178.185 176.870 -0.251 0.000 1.082 304 L CA 0.113 54.775 54.840 -0.297 0.000 0.843 304 L CB 0.408 42.237 42.059 -0.385 0.000 1.535 304 L HN 0.848 nan 8.230 nan 0.000 0.510 305 A N -0.753 121.873 122.820 -0.323 0.000 2.015 305 A HA 0.083 4.404 4.320 0.001 0.000 0.219 305 A C 0.804 178.310 177.584 -0.129 0.000 1.163 305 A CA 1.507 53.422 52.037 -0.202 0.000 0.646 305 A CB -0.519 18.358 19.000 -0.206 0.000 0.806 305 A HN 0.668 nan 8.150 nan 0.000 0.448 306 S N -2.702 112.926 115.700 -0.120 0.000 2.579 306 S HA 0.463 4.934 4.470 0.001 0.000 0.272 306 S C 0.127 174.685 174.600 -0.070 0.000 1.141 306 S CA -0.506 57.649 58.200 -0.075 0.000 0.843 306 S CB 1.181 64.352 63.200 -0.049 0.000 1.122 306 S HN 0.130 nan 8.310 nan 0.000 0.468 307 E N 1.262 121.430 120.200 -0.053 0.000 2.106 307 E HA -0.161 4.190 4.350 0.001 0.000 0.192 307 E C 1.780 178.366 176.600 -0.023 0.000 0.984 307 E CA 1.718 58.089 56.400 -0.049 0.000 0.806 307 E CB -0.296 29.380 29.700 -0.040 0.000 0.750 307 E HN 0.922 nan 8.360 nan 0.000 0.458 308 E N 1.351 121.546 120.200 -0.008 0.000 2.097 308 E HA -0.219 4.131 4.350 0.001 0.000 0.196 308 E C 2.105 178.735 176.600 0.049 0.000 1.000 308 E CA 1.173 57.584 56.400 0.018 0.000 0.804 308 E CB -0.410 29.300 29.700 0.017 0.000 0.740 308 E HN 0.148 nan 8.360 nan 0.000 0.454 309 L N 1.006 122.255 121.223 0.043 0.000 2.046 309 L HA -0.119 4.221 4.340 0.001 0.000 0.208 309 L C 2.056 178.990 176.870 0.107 0.000 1.077 309 L CA 2.106 57.009 54.840 0.105 0.000 0.747 309 L CB -0.500 41.581 42.059 0.036 0.000 0.896 309 L HN 0.218 nan 8.230 nan 0.000 0.432 310 E N -0.703 119.493 120.200 -0.007 0.000 2.118 310 E HA -0.239 4.112 4.350 0.001 0.000 0.195 310 E C 2.115 178.736 176.600 0.034 0.000 0.992 310 E CA 1.302 57.670 56.400 -0.052 0.000 0.804 310 E CB -0.079 29.544 29.700 -0.130 0.000 0.741 310 E HN 0.468 nan 8.360 nan 0.000 0.458 311 K N 0.639 121.064 120.400 0.041 0.000 2.057 311 K HA -0.205 4.115 4.320 0.001 0.000 0.207 311 K C 2.214 178.876 176.600 0.103 0.000 1.049 311 K CA 1.284 57.604 56.287 0.056 0.000 0.931 311 K CB -0.111 32.413 32.500 0.040 0.000 0.714 311 K HN 0.160 nan 8.250 nan 0.000 0.440 312 E N 0.692 120.983 120.200 0.153 0.000 2.077 312 E HA -0.216 4.135 4.350 0.001 0.000 0.193 312 E C 1.900 178.652 176.600 0.253 0.000 0.989 312 E CA 1.027 57.571 56.400 0.240 0.000 0.800 312 E CB -0.240 29.659 29.700 0.332 0.000 0.746 312 E HN 0.264 nan 8.360 nan 0.000 0.452 313 F N 0.600 120.475 119.950 -0.126 0.000 2.095 313 F HA -0.215 4.312 4.527 0.001 0.000 0.298 313 F C 1.983 177.684 175.800 -0.165 0.000 1.104 313 F CA 1.615 59.239 58.000 -0.627 0.000 1.232 313 F CB -0.231 38.324 39.000 -0.742 0.000 0.987 313 F HN -0.070 nan 8.300 nan 0.000 0.475 314 V N 0.700 120.696 119.914 0.136 0.000 2.358 314 V HA -0.292 3.829 4.120 0.001 0.000 0.246 314 V C 2.402 178.489 176.094 -0.011 0.000 1.047 314 V CA 2.253 64.584 62.300 0.051 0.000 1.035 314 V CB -0.764 31.102 31.823 0.071 0.000 0.658 314 V HN 0.335 nan 8.190 nan 0.000 0.452 315 K N 0.550 120.976 120.400 0.044 0.000 2.057 315 K HA -0.163 4.158 4.320 0.001 0.000 0.207 315 K C 2.134 178.771 176.600 0.061 0.000 1.049 315 K CA 1.604 57.923 56.287 0.054 0.000 0.931 315 K CB -0.372 32.175 32.500 0.078 0.000 0.714 315 K HN 0.410 nan 8.250 nan 0.000 0.440 316 A N 0.728 123.618 122.820 0.117 0.000 1.933 316 A HA -0.157 4.164 4.320 0.001 0.000 0.218 316 A C 2.116 179.724 177.584 0.040 0.000 1.175 316 A CA 2.027 54.193 52.037 0.215 0.000 0.628 316 A CB -0.814 18.469 19.000 0.471 0.000 0.814 316 A HN 0.573 nan 8.150 nan 0.000 0.444 317 S N -0.120 115.386 115.700 -0.324 0.000 2.423 317 S HA -0.177 4.294 4.470 0.001 0.000 0.231 317 S C 1.584 176.093 174.600 -0.152 0.000 1.014 317 S CA 1.419 59.132 58.200 -0.811 0.000 0.965 317 S CB -0.411 62.178 63.200 -1.018 0.000 0.785 317 S HN 0.662 nan 8.310 nan 0.000 0.495 318 E N 1.460 121.625 120.200 -0.057 0.000 2.150 318 E HA -0.181 4.169 4.350 0.001 0.000 0.193 318 E C 2.335 178.942 176.600 0.012 0.000 0.985 318 E CA 1.258 57.664 56.400 0.011 0.000 0.814 318 E CB -0.202 29.507 29.700 0.016 0.000 0.752 318 E HN 0.937 nan 8.360 nan 0.000 0.466 319 Q N 0.609 120.426 119.800 0.028 0.000 2.436 319 Q HA -0.091 4.250 4.340 0.001 0.000 0.209 319 Q C 0.994 177.020 176.000 0.044 0.000 0.965 319 Q CA 0.818 56.645 55.803 0.040 0.000 0.910 319 Q CB 0.273 29.053 28.738 0.070 0.000 0.980 319 Q HN 0.073 nan 8.270 nan 0.000 0.491 320 E N 0.081 120.315 120.200 0.056 0.000 2.463 320 E HA 0.119 4.470 4.350 0.001 0.000 0.193 320 E C 0.693 177.244 176.600 -0.081 0.000 1.041 320 E CA 0.480 56.930 56.400 0.083 0.000 0.879 320 E CB 0.996 30.833 29.700 0.228 0.000 0.997 320 E HN 0.607 nan 8.360 nan 0.000 0.478 321 G N 1.171 109.892 108.800 -0.132 0.000 2.175 321 G HA2 -0.270 3.691 3.960 0.001 0.000 0.244 321 G HA3 -0.270 3.691 3.960 0.001 0.000 0.244 321 G C 0.067 174.777 174.900 -0.316 0.000 0.982 321 G CA -0.201 44.717 45.100 -0.303 0.000 0.641 321 G HN 0.194 nan 8.290 nan 0.000 0.527 322 F N 0.464 120.439 119.950 0.041 0.000 2.399 322 F HA 0.569 5.097 4.527 0.002 0.000 0.342 322 F C 0.913 176.745 175.800 0.053 0.000 1.106 322 F CA -0.031 58.032 58.000 0.105 0.000 1.196 322 F CB 1.632 40.591 39.000 -0.068 0.000 1.163 322 F HN 0.379 nan 8.300 nan 0.000 0.547 323 V N -0.267 119.826 119.914 0.297 0.000 2.789 323 V HA 0.895 5.016 4.120 0.001 0.000 0.311 323 V C 0.065 176.305 176.094 0.243 0.000 1.073 323 V CA -0.320 62.094 62.300 0.190 0.000 0.921 323 V CB 1.184 33.071 31.823 0.106 0.000 1.009 323 V HN 1.217 nan 8.190 nan 0.000 0.426 324 G N 2.535 111.437 108.800 0.169 0.000 2.175 324 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 324 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 324 G C 0.327 175.314 174.900 0.145 0.000 0.982 324 G CA 0.348 45.549 45.100 0.168 0.000 0.641 324 G HN 1.070 nan 8.290 nan 0.000 0.527 325 L N -0.424 120.861 121.223 0.105 0.000 2.418 325 L HA 0.221 4.562 4.340 0.001 0.000 0.218 325 L C 1.632 178.486 176.870 -0.026 0.000 1.125 325 L CA 0.651 55.507 54.840 0.026 0.000 0.835 325 L CB -0.087 41.981 42.059 0.014 0.000 0.953 325 L HN 0.132 nan 8.230 nan 0.000 0.454 326 K N 1.493 121.893 120.400 -0.001 0.000 2.401 326 K HA 0.209 4.530 4.320 0.001 0.000 0.278 326 K C 0.454 177.030 176.600 -0.040 0.000 1.018 326 K CA 0.048 56.310 56.287 -0.041 0.000 0.981 326 K CB 0.793 33.281 32.500 -0.020 0.000 0.933 326 K HN 0.037 nan 8.250 nan 0.000 0.477 327 G N 2.787 111.538 108.800 -0.082 0.000 2.664 327 G HA2 -0.032 3.929 3.960 0.001 0.000 0.242 327 G HA3 -0.032 3.929 3.960 0.001 0.000 0.242 327 G C -0.580 174.340 174.900 0.032 0.000 1.225 327 G CA -0.377 44.705 45.100 -0.030 0.000 0.849 327 G HN 0.810 nan 8.290 nan 0.000 0.581 328 H N 0.578 119.643 119.070 -0.008 0.000 2.972 328 H HA 0.095 4.651 4.556 0.001 0.000 0.343 328 H C 2.020 177.337 175.328 -0.019 0.000 1.054 328 H CA 0.650 56.699 56.048 0.002 0.000 1.412 328 H CB 0.676 30.442 29.762 0.007 0.000 1.385 328 H HN 0.623 nan 8.280 nan 0.000 0.600 329 R N 2.764 123.007 120.500 -0.428 0.000 2.159 329 R HA -0.142 4.199 4.340 0.001 0.000 0.237 329 R C 2.547 178.813 176.300 -0.056 0.000 1.131 329 R CA 1.671 57.641 56.100 -0.217 0.000 0.982 329 R CB -1.451 28.691 30.300 -0.263 0.000 0.868 329 R HN 0.798 nan 8.270 nan 0.000 0.453 330 S N -0.113 115.667 115.700 0.134 0.000 2.481 330 S HA -0.035 4.436 4.470 0.001 0.000 0.231 330 S C 1.820 176.477 174.600 0.095 0.000 0.996 330 S CA 1.315 59.608 58.200 0.154 0.000 0.942 330 S CB 0.024 63.361 63.200 0.228 0.000 0.768 330 S HN 0.969 nan 8.310 nan 0.000 0.520 331 V N -3.333 116.641 119.914 0.100 0.000 3.562 331 V HA 0.643 4.763 4.120 0.001 0.000 0.270 331 V C 1.277 177.379 176.094 0.012 0.000 1.418 331 V CA -0.009 62.320 62.300 0.049 0.000 1.033 331 V CB -0.840 31.012 31.823 0.048 0.000 0.820 331 V HN 0.786 nan 8.190 nan 0.000 0.441 332 G N 0.617 109.418 108.800 0.001 0.000 2.601 332 G HA2 0.265 4.225 3.960 0.001 0.000 0.252 332 G HA3 0.265 4.225 3.960 0.001 0.000 0.252 332 G C 0.925 175.782 174.900 -0.072 0.000 1.294 332 G CA 0.251 45.327 45.100 -0.040 0.000 0.912 332 G HN 2.403 nan 8.290 nan 0.000 0.574 333 G N -2.019 106.710 108.800 -0.117 0.000 2.601 333 G HA2 0.156 4.117 3.960 0.001 0.000 0.252 333 G HA3 0.156 4.117 3.960 0.001 0.000 0.252 333 G C -0.017 174.704 174.900 -0.299 0.000 1.294 333 G CA 0.448 45.425 45.100 -0.206 0.000 0.912 333 G HN 1.679 nan 8.290 nan 0.000 0.574 334 L N -0.302 120.608 121.223 -0.522 0.000 2.323 334 L HA 0.862 5.203 4.340 0.001 0.000 0.265 334 L C 0.436 176.986 176.870 -0.534 0.000 1.012 334 L CA -0.922 53.513 54.840 -0.675 0.000 0.820 334 L CB 2.381 43.641 42.059 -1.332 0.000 1.334 334 L HN 0.840 nan 8.230 nan 0.000 0.427 335 R N 1.428 121.748 120.500 -0.299 0.000 2.512 335 R HA 0.653 4.994 4.340 0.001 0.000 0.291 335 R C -1.522 174.776 176.300 -0.003 0.000 1.097 335 R CA -0.417 55.633 56.100 -0.083 0.000 0.940 335 R CB 1.799 32.100 30.300 0.001 0.000 1.198 335 R HN 0.738 nan 8.270 nan 0.000 0.429 336 A N 3.167 126.026 122.820 0.066 0.000 2.294 336 A HA 0.431 4.751 4.320 0.001 0.000 0.316 336 A C -0.606 177.052 177.584 0.123 0.000 1.359 336 A CA -0.419 51.659 52.037 0.069 0.000 0.956 336 A CB 1.002 19.975 19.000 -0.046 0.000 1.155 336 A HN 0.638 nan 8.150 nan 0.000 0.544 337 S N 2.096 117.896 115.700 0.166 0.000 2.452 337 S HA 0.474 4.944 4.470 0.001 0.000 0.284 337 S C 0.396 174.890 174.600 -0.177 0.000 1.171 337 S CA -0.346 57.755 58.200 -0.165 0.000 1.064 337 S CB 0.211 63.271 63.200 -0.233 0.000 0.967 337 S HN 0.754 nan 8.310 nan 0.000 0.484 338 I N -0.079 120.297 120.570 -0.323 0.000 2.979 338 I HA 0.402 4.573 4.170 0.001 0.000 0.337 338 I C -0.673 175.391 176.117 -0.089 0.000 1.453 338 I CA -0.872 60.357 61.300 -0.117 0.000 0.891 338 I CB -0.296 37.728 38.000 0.041 0.000 1.887 338 I HN 0.420 nan 8.210 nan 0.000 0.546 339 Y N 0.781 121.121 120.300 0.067 0.000 2.469 339 Y HA 0.025 4.575 4.550 0.001 0.000 0.353 339 Y C 1.778 177.725 175.900 0.079 0.000 1.269 339 Y CA -0.086 58.052 58.100 0.063 0.000 1.504 339 Y CB 0.063 38.542 38.460 0.032 0.000 1.369 339 Y HN 0.252 nan 8.280 nan 0.000 0.654 340 N N 0.777 119.657 118.700 0.299 0.000 2.060 340 N HA -0.243 4.498 4.740 0.001 0.000 0.195 340 N C 1.618 177.327 175.510 0.331 0.000 1.028 340 N CA 1.729 54.966 53.050 0.312 0.000 0.861 340 N CB -0.661 38.064 38.487 0.397 0.000 1.029 340 N HN 0.730 nan 8.380 nan 0.000 0.428 341 A N 0.406 123.308 122.820 0.136 0.000 2.206 341 A HA 0.118 4.439 4.320 0.001 0.000 0.211 341 A C 0.648 178.228 177.584 -0.007 0.000 1.158 341 A CA -0.040 51.953 52.037 -0.073 0.000 0.761 341 A CB 0.024 18.828 19.000 -0.327 0.000 0.801 341 A HN 0.044 nan 8.150 nan 0.000 0.473 342 V N 2.506 122.438 119.914 0.030 0.000 2.446 342 V HA 0.124 4.245 4.120 0.001 0.000 0.276 342 V C -2.245 173.860 176.094 0.018 0.000 1.030 342 V CA -1.074 61.190 62.300 -0.060 0.000 1.033 342 V CB 0.580 32.309 31.823 -0.156 0.000 0.993 342 V HN 0.250 nan 8.190 nan 0.000 0.477 343 P HA 0.102 nan 4.420 nan 0.000 0.274 343 P C 0.356 177.737 177.300 0.135 0.000 1.231 343 P CA -0.284 62.884 63.100 0.115 0.000 0.790 343 P CB 0.503 32.263 31.700 0.100 0.000 0.951 344 Y N 2.089 122.429 120.300 0.065 0.000 2.241 344 Y HA -0.294 4.257 4.550 0.001 0.000 0.286 344 Y C 1.736 177.672 175.900 0.060 0.000 1.166 344 Y CA 1.999 60.136 58.100 0.062 0.000 1.203 344 Y CB -0.408 38.086 38.460 0.058 0.000 0.977 344 Y HN 0.368 nan 8.280 nan 0.000 0.529 345 E N -0.604 119.621 120.200 0.042 0.000 2.153 345 E HA -0.154 4.197 4.350 0.001 0.000 0.194 345 E C 2.429 178.974 176.600 -0.092 0.000 0.988 345 E CA 1.419 57.797 56.400 -0.036 0.000 0.811 345 E CB -0.407 29.341 29.700 0.080 0.000 0.746 345 E HN 0.338 nan 8.360 nan 0.000 0.466 346 S N -0.351 115.334 115.700 -0.026 0.000 2.382 346 S HA -0.167 4.304 4.470 0.001 0.000 0.228 346 S C 2.005 176.686 174.600 0.135 0.000 1.027 346 S CA 1.070 59.253 58.200 -0.029 0.000 0.991 346 S CB -0.346 62.775 63.200 -0.132 0.000 0.823 346 S HN 0.420 nan 8.310 nan 0.000 0.469 347 C N 1.577 120.917 119.300 0.067 0.000 2.457 347 C HA 0.017 4.478 4.460 0.001 0.000 0.278 347 C C 2.568 177.481 174.990 -0.127 0.000 1.309 347 C CA 0.187 59.254 59.018 0.082 0.000 1.735 347 C CB -1.170 26.571 27.740 0.001 0.000 1.992 347 C HN 0.623 nan 8.230 nan 0.000 0.493 348 E N 1.173 121.168 120.200 -0.342 0.000 2.077 348 E HA -0.166 4.184 4.350 0.001 0.000 0.193 348 E C 2.377 178.892 176.600 -0.141 0.000 0.989 348 E CA 1.351 57.572 56.400 -0.298 0.000 0.800 348 E CB -0.242 29.235 29.700 -0.373 0.000 0.746 348 E HN 0.672 nan 8.360 nan 0.000 0.452 349 A N 1.274 123.990 122.820 -0.173 0.000 1.902 349 A HA -0.174 4.147 4.320 0.001 0.000 0.217 349 A C 2.162 179.833 177.584 0.146 0.000 1.181 349 A CA 1.035 52.982 52.037 -0.150 0.000 0.623 349 A CB -0.525 17.955 19.000 -0.867 0.000 0.818 349 A HN 0.225 nan 8.150 nan 0.000 0.443 350 L N 0.011 121.318 121.223 0.141 0.000 2.012 350 L HA -0.119 4.222 4.340 0.001 0.000 0.210 350 L C 2.381 179.209 176.870 -0.071 0.000 1.073 350 L CA 2.053 56.844 54.840 -0.082 0.000 0.748 350 L CB -0.640 41.285 42.059 -0.223 0.000 0.891 350 L HN 0.150 nan 8.230 nan 0.000 0.431 351 V N -0.316 119.556 119.914 -0.070 0.000 2.407 351 V HA -0.322 3.799 4.120 0.001 0.000 0.248 351 V C 2.595 178.684 176.094 -0.007 0.000 1.055 351 V CA 1.944 64.198 62.300 -0.076 0.000 1.049 351 V CB -0.681 31.090 31.823 -0.087 0.000 0.662 351 V HN 0.684 nan 8.190 nan 0.000 0.455 352 Q N -0.504 119.314 119.800 0.029 0.000 2.084 352 Q HA -0.253 4.088 4.340 0.001 0.000 0.202 352 Q C 2.120 178.197 176.000 0.128 0.000 0.978 352 Q CA 2.190 58.035 55.803 0.069 0.000 0.844 352 Q CB -0.289 28.492 28.738 0.072 0.000 0.898 352 Q HN 0.618 nan 8.270 nan 0.000 0.426 353 F N 0.553 120.514 119.950 0.018 0.000 2.134 353 F HA -0.136 4.392 4.527 0.001 0.000 0.299 353 F C 1.882 177.719 175.800 0.063 0.000 1.097 353 F CA 1.496 59.503 58.000 0.011 0.000 1.264 353 F CB -0.102 38.761 39.000 -0.229 0.000 1.001 353 F HN 0.089 nan 8.300 nan 0.000 0.479 354 M N -0.092 119.516 119.600 0.014 0.000 2.149 354 M HA -0.219 4.261 4.480 0.001 0.000 0.261 354 M C 2.109 178.517 176.300 0.180 0.000 1.064 354 M CA 2.100 57.474 55.300 0.123 0.000 1.102 354 M CB -0.422 32.104 32.600 -0.124 0.000 1.369 354 M HN 0.171 nan 8.290 nan 0.000 0.408 355 E N -0.324 119.921 120.200 0.075 0.000 2.072 355 E HA -0.190 4.161 4.350 0.001 0.000 0.190 355 E C 1.868 178.488 176.600 0.034 0.000 0.982 355 E CA 1.344 57.780 56.400 0.059 0.000 0.803 355 E CB -0.229 29.497 29.700 0.044 0.000 0.755 355 E HN 0.553 nan 8.360 nan 0.000 0.453 356 H N -1.460 117.548 119.070 -0.103 0.000 2.389 356 H HA -0.133 4.424 4.556 0.001 0.000 0.299 356 H C 1.763 176.975 175.328 -0.194 0.000 1.081 356 H CA 1.208 57.177 56.048 -0.132 0.000 1.345 356 H CB -0.038 29.668 29.762 -0.093 0.000 1.393 356 H HN 0.303 nan 8.280 nan 0.000 0.520 357 F N 1.897 121.543 119.950 -0.507 0.000 2.113 357 F HA -0.134 4.393 4.527 0.001 0.000 0.297 357 F C 2.659 178.270 175.800 -0.315 0.000 1.103 357 F CA 1.684 59.399 58.000 -0.476 0.000 1.248 357 F CB -0.223 38.531 39.000 -0.409 0.000 0.999 357 F HN -0.018 nan 8.300 nan 0.000 0.475 358 K N 0.404 120.663 120.400 -0.234 0.000 2.063 358 K HA -0.248 4.073 4.320 0.001 0.000 0.208 358 K C 2.503 178.723 176.600 -0.633 0.000 1.048 358 K CA 1.850 57.632 56.287 -0.842 0.000 0.928 358 K CB -0.241 31.801 32.500 -0.764 0.000 0.713 358 K HN 0.245 nan 8.250 nan 0.000 0.442 359 R N 0.773 121.043 120.500 -0.383 0.000 2.091 359 R HA -0.112 4.229 4.340 0.001 0.000 0.238 359 R C 2.260 178.389 176.300 -0.285 0.000 1.136 359 R CA 2.283 58.227 56.100 -0.261 0.000 0.959 359 R CB -1.636 28.604 30.300 -0.100 0.000 0.856 359 R HN 0.547 nan 8.270 nan 0.000 0.437 360 S N 0.072 115.541 115.700 -0.385 0.000 2.383 360 S HA -0.028 4.443 4.470 0.001 0.000 0.227 360 S C 1.408 175.831 174.600 -0.295 0.000 1.026 360 S CA 0.928 58.933 58.200 -0.325 0.000 0.981 360 S CB -0.093 62.863 63.200 -0.406 0.000 0.818 360 S HN 0.625 nan 8.310 nan 0.000 0.472 361 R N 0.950 121.217 120.500 -0.387 0.000 2.523 361 R HA 0.541 4.882 4.340 0.001 0.000 0.216 361 R C 1.442 177.648 176.300 -0.156 0.000 1.279 361 R CA 0.144 56.101 56.100 -0.238 0.000 1.015 361 R CB -0.708 29.482 30.300 -0.182 0.000 1.756 361 R HN 0.320 nan 8.270 nan 0.000 0.528 362 G N 0.000 108.844 108.800 0.074 0.000 5.446 362 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 362 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 362 G CA 0.000 45.209 45.100 0.182 0.000 0.502 362 G HN 0.000 nan 8.290 nan 0.000 0.925