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 1zic_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTEGISIQS YDGHTFGALV GSPAKAPAPV IVIAQEIFGV NAFMRETVSW DATA SEQUENCE LVDQGYAAVC PDLYARQAPG TALDPQDERQ REQAYKLWQA FDMEAGVGDL DATA SEQUENCE EAAIRYARHQ PYSNGKVGLV GYSLGGALAF LVAAKGYVDR AVGYYGVGLE DATA SEQUENCE KQLNKVPEVK HPALFHMGGQ DHFVPAPSRQ LITEGFGANP LLQVHWYEEA DATA SEQUENCE GHSFAATSSS GYVASAAALA NERTLDFLAP LQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 L N 0.933 122.171 121.223 0.025 0.000 2.327 2 L HA 0.762 5.104 4.340 0.003 0.000 0.258 2 L C 0.107 176.989 176.870 0.021 0.000 1.024 2 L CA -0.945 53.911 54.840 0.027 0.000 0.825 2 L CB 2.502 44.584 42.059 0.039 0.000 1.386 2 L HN 0.839 9.069 8.230 -0.000 0.000 0.417 3 T N 0.718 115.285 114.554 0.022 0.000 2.761 3 T HA 0.153 4.505 4.350 0.003 0.000 0.296 3 T C -0.132 174.582 174.700 0.022 0.000 0.934 3 T CA -0.384 61.730 62.100 0.023 0.000 1.091 3 T CB 0.229 69.116 68.868 0.033 0.000 0.896 3 T HN 0.398 8.638 8.240 -0.000 0.000 0.515 4 E N 1.493 121.705 120.200 0.020 0.000 2.442 4 E HA 0.283 4.635 4.350 0.003 0.000 0.262 4 E C 1.351 177.962 176.600 0.018 0.000 1.004 4 E CA 0.634 57.044 56.400 0.017 0.000 0.928 4 E CB 0.330 30.039 29.700 0.015 0.000 0.937 4 E HN 0.957 9.317 8.360 -0.000 0.000 0.446 5 G N 2.801 111.608 108.800 0.011 0.000 2.225 5 G HA2 -0.246 3.716 3.960 0.003 0.000 0.254 5 G HA3 -0.246 3.716 3.960 0.003 0.000 0.254 5 G C 0.270 175.175 174.900 0.009 0.000 0.988 5 G CA -0.252 44.854 45.100 0.010 0.000 0.625 5 G HN 0.437 8.727 8.290 -0.000 0.000 0.527 6 I N 1.700 122.273 120.570 0.006 0.000 2.371 6 I HA 0.600 4.772 4.170 0.003 0.000 0.290 6 I C 0.415 176.472 176.117 -0.100 0.000 1.028 6 I CA 0.000 61.295 61.300 -0.009 0.000 1.345 6 I CB 1.123 39.128 38.000 0.007 0.000 1.407 6 I HN 0.164 8.374 8.210 -0.000 0.000 0.501 7 S N 7.411 123.018 115.700 -0.155 0.000 2.547 7 S HA 0.768 5.240 4.470 0.003 0.000 0.281 7 S C -0.872 173.473 174.600 -0.426 0.000 1.118 7 S CA -0.546 57.495 58.200 -0.265 0.000 0.947 7 S CB 1.236 64.337 63.200 -0.165 0.000 1.053 7 S HN 0.394 8.704 8.310 -0.000 0.000 0.482 8 I N 3.205 123.340 120.570 -0.725 0.000 2.647 8 I HA 0.470 4.641 4.170 0.003 0.000 0.295 8 I C -0.425 175.162 176.117 -0.883 0.000 1.078 8 I CA -0.669 60.122 61.300 -0.849 0.000 1.048 8 I CB 2.310 39.588 38.000 -1.203 0.000 1.239 8 I HN 0.560 8.770 8.210 -0.000 0.000 0.421 9 Q N 3.484 123.021 119.800 -0.438 0.000 2.333 9 Q HA 0.444 4.786 4.340 0.003 0.000 0.267 9 Q C -0.994 174.993 176.000 -0.022 0.000 1.012 9 Q CA -0.355 55.314 55.803 -0.224 0.000 0.824 9 Q CB 2.201 30.866 28.738 -0.121 0.000 1.290 9 Q HN 0.712 8.982 8.270 -0.000 0.000 0.449 10 S N 1.890 117.688 115.700 0.162 0.000 2.652 10 S HA 0.086 4.558 4.470 0.003 0.000 0.270 10 S C 0.598 175.318 174.600 0.200 0.000 1.243 10 S CA -0.361 58.008 58.200 0.283 0.000 0.999 10 S CB 0.426 63.885 63.200 0.432 0.000 0.973 10 S HN 0.758 9.068 8.310 -0.000 0.000 0.544 11 Y N 2.201 122.551 120.300 0.083 0.000 2.181 11 Y HA -0.227 4.325 4.550 0.003 0.000 0.284 11 Y C 1.859 177.794 175.900 0.058 0.000 1.179 11 Y CA 2.626 60.757 58.100 0.052 0.000 1.179 11 Y CB -0.193 38.289 38.460 0.036 0.000 0.973 11 Y HN 0.812 9.092 8.280 -0.000 0.000 0.519 12 D N -1.201 119.328 120.400 0.214 0.000 2.336 12 D HA 0.098 4.740 4.640 0.003 0.000 0.229 12 D C 1.772 178.104 176.300 0.054 0.000 1.061 12 D CA 0.904 54.973 54.000 0.115 0.000 0.875 12 D CB -0.364 40.543 40.800 0.178 0.000 0.904 12 D HN 0.532 8.902 8.370 -0.000 0.000 0.525 13 G N -0.035 108.790 108.800 0.042 0.000 2.234 13 G HA2 -0.306 3.656 3.960 0.003 0.000 0.235 13 G HA3 -0.306 3.656 3.960 0.003 0.000 0.235 13 G C 0.179 175.131 174.900 0.086 0.000 0.997 13 G CA 0.210 45.329 45.100 0.031 0.000 0.623 13 G HN 0.763 9.053 8.290 -0.000 0.000 0.514 14 H N 2.131 121.249 119.070 0.079 0.000 2.848 14 H HA 0.532 5.090 4.556 0.003 0.000 0.341 14 H C 0.844 176.268 175.328 0.161 0.000 1.060 14 H CA 1.228 57.348 56.048 0.120 0.000 1.444 14 H CB 0.654 30.506 29.762 0.148 0.000 1.446 14 H HN 0.447 8.727 8.280 -0.000 0.000 0.583 15 T N 3.281 117.549 114.554 -0.477 0.000 2.918 15 T HA 0.604 4.956 4.350 0.003 0.000 0.286 15 T C -0.720 173.690 174.700 -0.483 0.000 1.026 15 T CA -0.741 61.082 62.100 -0.461 0.000 1.031 15 T CB 1.149 69.848 68.868 -0.282 0.000 1.046 15 T HN 0.557 8.797 8.240 -0.000 0.000 0.479 16 F N -1.477 118.271 119.950 -0.335 0.000 2.668 16 F HA 0.815 5.343 4.527 0.003 0.000 0.309 16 F C 0.059 175.789 175.800 -0.117 0.000 1.117 16 F CA -1.459 56.433 58.000 -0.180 0.000 0.951 16 F CB 0.746 39.716 39.000 -0.050 0.000 1.323 16 F HN 0.913 9.213 8.300 -0.000 0.000 0.451 17 G N -0.087 108.783 108.800 0.118 0.000 2.557 17 G HA2 0.779 4.740 3.960 0.003 0.000 0.292 17 G HA3 0.779 4.740 3.960 0.003 0.000 0.292 17 G C -1.364 173.595 174.900 0.099 0.000 1.237 17 G CA -0.324 44.796 45.100 0.035 0.000 0.978 17 G HN 1.425 9.715 8.290 -0.000 0.000 0.498 18 A N -1.267 121.572 122.820 0.032 0.000 2.608 18 A HA 0.581 4.903 4.320 0.003 0.000 0.292 18 A C -1.692 175.910 177.584 0.031 0.000 1.066 18 A CA -0.584 51.482 52.037 0.047 0.000 0.676 18 A CB 1.585 20.589 19.000 0.007 0.000 1.277 18 A HN 1.295 9.445 8.150 -0.000 0.000 0.413 19 L N 1.443 122.684 121.223 0.030 0.000 2.264 19 L HA 0.726 5.068 4.340 0.003 0.000 0.289 19 L C -0.940 175.941 176.870 0.018 0.000 1.044 19 L CA -0.176 54.674 54.840 0.016 0.000 0.807 19 L CB 1.263 43.321 42.059 -0.002 0.000 1.192 19 L HN 0.494 8.724 8.230 -0.000 0.000 0.425 20 V N 4.189 124.115 119.914 0.020 0.000 2.628 20 V HA 0.862 4.984 4.120 0.003 0.000 0.306 20 V C 0.332 176.398 176.094 -0.047 0.000 1.045 20 V CA -0.356 61.952 62.300 0.014 0.000 0.905 20 V CB 1.710 33.586 31.823 0.088 0.000 0.997 20 V HN 0.907 9.097 8.190 -0.000 0.000 0.436 21 G N 1.465 110.196 108.800 -0.115 0.000 2.666 21 G HA2 0.548 4.509 3.960 0.003 0.000 0.303 21 G HA3 0.548 4.509 3.960 0.003 0.000 0.303 21 G C -1.008 173.717 174.900 -0.292 0.000 1.412 21 G CA -0.348 44.664 45.100 -0.147 0.000 0.979 21 G HN 0.592 8.882 8.290 -0.000 0.000 0.507 22 S N 2.201 117.723 115.700 -0.296 0.000 2.475 22 S HA 0.768 5.240 4.470 0.003 0.000 0.298 22 S C -2.012 172.464 174.600 -0.206 0.000 1.119 22 S CA -1.163 56.794 58.200 -0.406 0.000 1.085 22 S CB 1.678 64.715 63.200 -0.271 0.000 1.028 22 S HN 0.555 8.865 8.310 -0.000 0.000 0.489 23 P HA 0.367 4.787 4.420 -0.000 0.000 0.280 23 P C 0.139 177.394 177.300 -0.075 0.000 1.272 23 P CA -0.500 62.535 63.100 -0.108 0.000 0.819 23 P CB 0.954 32.584 31.700 -0.117 0.000 1.122 24 A N 1.209 123.993 122.820 -0.059 0.000 2.015 24 A HA -0.077 4.245 4.320 0.003 0.000 0.219 24 A C 0.916 178.478 177.584 -0.037 0.000 1.163 24 A CA 1.238 53.250 52.037 -0.041 0.000 0.646 24 A CB -0.576 18.403 19.000 -0.035 0.000 0.806 24 A HN 0.505 8.655 8.150 -0.000 0.000 0.448 25 K N 0.396 120.765 120.400 -0.051 0.000 2.281 25 K HA 0.616 4.938 4.320 0.003 0.000 0.272 25 K C -0.655 175.918 176.600 -0.044 0.000 1.048 25 K CA 0.011 56.270 56.287 -0.047 0.000 0.898 25 K CB 1.430 33.895 32.500 -0.059 0.000 1.128 25 K HN 0.314 8.564 8.250 -0.000 0.000 0.460 26 A N 3.529 126.337 122.820 -0.019 0.000 2.485 26 A HA 0.705 5.027 4.320 0.003 0.000 0.292 26 A C -2.444 175.140 177.584 -0.001 0.000 1.147 26 A CA -1.300 50.739 52.037 0.003 0.000 0.750 26 A CB 0.544 19.579 19.000 0.059 0.000 1.331 26 A HN 0.593 8.743 8.150 -0.000 0.000 0.419 27 P HA 0.576 4.996 4.420 -0.000 0.000 0.272 27 P C -0.497 176.800 177.300 -0.004 0.000 1.240 27 P CA 0.168 63.279 63.100 0.018 0.000 0.791 27 P CB 1.179 32.881 31.700 0.002 0.000 0.978 28 A N 1.386 124.216 122.820 0.017 0.000 2.606 28 A HA 0.698 5.020 4.320 0.003 0.000 0.293 28 A C -2.946 174.648 177.584 0.016 0.000 1.082 28 A CA -1.519 50.497 52.037 -0.035 0.000 0.685 28 A CB 1.256 20.205 19.000 -0.084 0.000 1.284 28 A HN 0.426 8.576 8.150 -0.000 0.000 0.408 29 P HA 0.360 4.780 4.420 -0.000 0.000 0.272 29 P C -0.630 176.764 177.300 0.156 0.000 1.223 29 P CA 0.061 63.210 63.100 0.082 0.000 0.784 29 P CB 0.832 32.607 31.700 0.124 0.000 0.923 30 V N 3.561 123.565 119.914 0.150 0.000 2.555 30 V HA 0.327 4.449 4.120 0.003 0.000 0.302 30 V C 0.323 176.484 176.094 0.112 0.000 1.038 30 V CA -0.692 61.701 62.300 0.154 0.000 0.887 30 V CB 1.725 33.661 31.823 0.189 0.000 0.991 30 V HN 0.355 8.545 8.190 -0.000 0.000 0.434 31 I N 4.727 125.340 120.570 0.073 0.000 2.330 31 I HA 0.351 4.523 4.170 0.003 0.000 0.289 31 I C 0.074 176.212 176.117 0.034 0.000 1.001 31 I CA -0.581 60.725 61.300 0.010 0.000 1.193 31 I CB 1.530 39.467 38.000 -0.105 0.000 1.345 31 I HN 0.249 8.459 8.210 -0.000 0.000 0.461 32 V N 7.756 127.701 119.914 0.052 0.000 2.530 32 V HA 0.297 4.419 4.120 0.003 0.000 0.282 32 V C 0.479 176.602 176.094 0.048 0.000 1.048 32 V CA -0.278 62.063 62.300 0.069 0.000 0.997 32 V CB 1.442 33.318 31.823 0.088 0.000 0.987 32 V HN 0.419 8.609 8.190 -0.000 0.000 0.477 33 I N 4.243 124.840 120.570 0.045 0.000 2.354 33 I HA 0.590 4.762 4.170 0.003 0.000 0.292 33 I C 0.399 176.541 176.117 0.041 0.000 0.989 33 I CA -0.400 60.928 61.300 0.047 0.000 1.188 33 I CB 1.645 39.664 38.000 0.032 0.000 1.342 33 I HN 0.648 8.858 8.210 -0.000 0.000 0.457 34 A N 6.789 129.637 122.820 0.046 0.000 2.260 34 A HA 0.454 4.776 4.320 0.003 0.000 0.308 34 A C 0.036 177.628 177.584 0.013 0.000 1.254 34 A CA -0.627 51.420 52.037 0.017 0.000 0.874 34 A CB 0.438 19.451 19.000 0.021 0.000 1.153 34 A HN 0.789 8.939 8.150 -0.000 0.000 0.527 35 Q N 2.545 122.306 119.800 -0.066 0.000 2.584 35 Q HA 0.224 4.566 4.340 0.003 0.000 0.235 35 Q C -0.307 175.602 176.000 -0.151 0.000 1.079 35 Q CA 0.033 55.775 55.803 -0.103 0.000 0.977 35 Q CB 0.718 29.331 28.738 -0.209 0.000 1.293 35 Q HN 0.715 8.985 8.270 -0.000 0.000 0.553 36 E N 0.269 120.403 120.200 -0.110 0.000 3.601 36 E HA 0.113 4.465 4.350 0.003 0.000 0.273 36 E C 1.067 177.386 176.600 -0.469 0.000 1.368 36 E CA -0.178 56.094 56.400 -0.214 0.000 1.286 36 E CB 0.307 30.003 29.700 -0.008 0.000 1.383 36 E HN 0.755 9.115 8.360 -0.000 0.000 0.746 37 I N -2.216 117.924 120.570 -0.716 0.000 3.646 37 I HA 0.038 4.210 4.170 0.003 0.000 0.301 37 I C 0.511 176.334 176.117 -0.489 0.000 1.276 37 I CA 0.581 61.446 61.300 -0.726 0.000 1.254 37 I CB -0.145 37.292 38.000 -0.939 0.000 1.020 37 I HN 0.199 8.409 8.210 -0.000 0.000 0.473 38 F N 2.292 122.196 119.950 -0.077 0.000 2.664 38 F HA 0.574 5.103 4.527 0.003 0.000 0.303 38 F C 1.575 177.415 175.800 0.067 0.000 1.092 38 F CA 0.143 58.159 58.000 0.025 0.000 1.305 38 F CB -0.261 38.722 39.000 -0.030 0.000 1.054 38 F HN 0.303 8.603 8.300 -0.000 0.000 0.565 39 G N 0.198 109.038 108.800 0.067 0.000 2.632 39 G HA2 -0.190 3.772 3.960 0.003 0.000 0.224 39 G HA3 -0.190 3.772 3.960 0.003 0.000 0.224 39 G C -0.772 174.139 174.900 0.018 0.000 1.341 39 G CA -0.657 44.461 45.100 0.030 0.000 0.880 39 G HN -0.012 8.278 8.290 -0.000 0.000 0.566 40 V N 2.997 122.933 119.914 0.035 0.000 2.299 40 V HA 0.432 4.554 4.120 0.003 0.000 0.255 40 V C 0.661 176.770 176.094 0.025 0.000 1.100 40 V CA 0.184 62.491 62.300 0.012 0.000 0.938 40 V CB -0.228 31.604 31.823 0.014 0.000 1.139 40 V HN 1.026 9.216 8.190 -0.000 0.000 0.490 41 N N 4.300 123.015 118.700 0.025 0.000 3.061 41 N HA 0.526 5.268 4.740 0.003 0.000 0.346 41 N C 1.230 176.733 175.510 -0.011 0.000 1.392 41 N CA -0.158 52.904 53.050 0.020 0.000 0.762 41 N CB 0.990 39.502 38.487 0.041 0.000 1.367 41 N HN 0.198 8.578 8.380 -0.000 0.000 0.607 42 A N -0.493 122.315 122.820 -0.019 0.000 1.933 42 A HA -0.076 4.246 4.320 0.003 0.000 0.218 42 A C 1.887 179.459 177.584 -0.020 0.000 1.175 42 A CA 1.283 53.302 52.037 -0.030 0.000 0.628 42 A CB -1.199 17.776 19.000 -0.041 0.000 0.814 42 A HN 0.569 8.719 8.150 -0.000 0.000 0.444 43 F N 0.081 119.930 119.950 -0.167 0.000 2.186 43 F HA -0.129 4.399 4.527 0.003 0.000 0.299 43 F C 2.140 177.808 175.800 -0.220 0.000 1.090 43 F CA 1.510 59.377 58.000 -0.222 0.000 1.307 43 F CB -0.205 38.637 39.000 -0.264 0.000 1.019 43 F HN 0.088 8.388 8.300 -0.000 0.000 0.489 44 M N 0.013 119.430 119.600 -0.306 0.000 2.175 44 M HA -0.146 4.336 4.480 0.003 0.000 0.264 44 M C 2.377 178.516 176.300 -0.269 0.000 1.063 44 M CA 1.374 56.459 55.300 -0.359 0.000 1.119 44 M CB -1.348 31.156 32.600 -0.160 0.000 1.377 44 M HN 0.205 8.495 8.290 -0.000 0.000 0.415 45 R N 0.466 120.865 120.500 -0.168 0.000 2.096 45 R HA -0.207 4.135 4.340 0.003 0.000 0.235 45 R C 2.037 178.258 176.300 -0.131 0.000 1.127 45 R CA 1.851 57.882 56.100 -0.114 0.000 0.968 45 R CB -0.077 30.180 30.300 -0.070 0.000 0.861 45 R HN 0.226 8.496 8.270 -0.000 0.000 0.440 46 E N 0.004 120.095 120.200 -0.181 0.000 2.072 46 E HA -0.109 4.243 4.350 0.003 0.000 0.191 46 E C 1.564 178.055 176.600 -0.181 0.000 0.985 46 E CA 2.201 58.504 56.400 -0.162 0.000 0.801 46 E CB -0.356 29.250 29.700 -0.157 0.000 0.750 46 E HN 0.262 8.622 8.360 -0.000 0.000 0.452 47 T N -0.015 114.308 114.554 -0.385 0.000 2.821 47 T HA -0.079 4.273 4.350 0.003 0.000 0.267 47 T C 1.861 176.561 174.700 0.000 0.000 1.046 47 T CA 1.251 63.211 62.100 -0.234 0.000 1.139 47 T CB -0.281 68.243 68.868 -0.575 0.000 0.871 47 T HN 0.018 8.258 8.240 -0.000 0.000 0.454 48 V N 1.233 121.099 119.914 -0.079 0.000 2.295 48 V HA -0.172 3.950 4.120 0.003 0.000 0.246 48 V C 2.713 178.797 176.094 -0.016 0.000 1.049 48 V CA 1.991 64.263 62.300 -0.046 0.000 1.024 48 V CB -0.782 31.004 31.823 -0.062 0.000 0.648 48 V HN 0.498 8.688 8.190 -0.000 0.000 0.447 49 S N -1.267 114.430 115.700 -0.004 0.000 2.356 49 S HA -0.280 4.192 4.470 0.003 0.000 0.223 49 S C 1.687 176.340 174.600 0.087 0.000 1.032 49 S CA 2.102 60.315 58.200 0.023 0.000 1.005 49 S CB -0.515 62.695 63.200 0.016 0.000 0.867 49 S HN 0.727 9.037 8.310 -0.000 0.000 0.449 50 W N 1.919 123.174 121.300 -0.074 0.000 2.333 50 W HA -0.085 4.577 4.660 0.003 0.000 0.316 50 W C 1.800 178.320 176.519 0.003 0.000 1.215 50 W CA 1.528 58.849 57.345 -0.039 0.000 1.278 50 W CB -0.854 28.566 29.460 -0.066 0.000 1.154 50 W HN 0.328 8.508 8.180 -0.000 0.000 0.486 51 L N -0.264 120.835 121.223 -0.207 0.000 2.093 51 L HA -0.227 4.115 4.340 0.003 0.000 0.208 51 L C 2.379 179.187 176.870 -0.104 0.000 1.085 51 L CA 1.221 55.849 54.840 -0.353 0.000 0.755 51 L CB -1.199 40.690 42.059 -0.283 0.000 0.904 51 L HN -0.146 8.084 8.230 -0.000 0.000 0.435 52 V N -0.299 119.574 119.914 -0.068 0.000 2.343 52 V HA -0.287 3.835 4.120 0.003 0.000 0.247 52 V C 1.955 178.014 176.094 -0.058 0.000 1.051 52 V CA 1.851 64.116 62.300 -0.059 0.000 1.036 52 V CB -0.494 31.291 31.823 -0.063 0.000 0.654 52 V HN 0.433 8.623 8.190 -0.000 0.000 0.451 53 D N -0.400 119.974 120.400 -0.043 0.000 2.263 53 D HA -0.112 4.530 4.640 0.003 0.000 0.208 53 D C 2.019 178.291 176.300 -0.047 0.000 0.971 53 D CA 0.756 54.741 54.000 -0.026 0.000 0.867 53 D CB -0.121 40.695 40.800 0.026 0.000 0.929 53 D HN 0.416 8.786 8.370 -0.000 0.000 0.492 54 Q N -0.690 119.059 119.800 -0.085 0.000 2.320 54 Q HA 0.262 4.604 4.340 0.003 0.000 0.201 54 Q C 1.252 177.181 176.000 -0.118 0.000 0.910 54 Q CA 0.364 56.128 55.803 -0.065 0.000 0.946 54 Q CB 0.704 29.390 28.738 -0.088 0.000 1.062 54 Q HN 0.285 8.555 8.270 -0.000 0.000 0.503 55 G N 0.200 108.909 108.800 -0.150 0.000 2.131 55 G HA2 -0.269 3.693 3.960 0.003 0.000 0.223 55 G HA3 -0.269 3.693 3.960 0.003 0.000 0.223 55 G C -0.400 174.236 174.900 -0.440 0.000 0.990 55 G CA -0.224 44.712 45.100 -0.272 0.000 0.671 55 G HN 0.280 8.570 8.290 -0.000 0.000 0.521 56 Y N 0.318 120.531 120.300 -0.146 0.000 2.534 56 Y HA 0.725 5.277 4.550 0.003 0.000 0.329 56 Y C 0.772 176.582 175.900 -0.150 0.000 1.154 56 Y CA -0.125 57.895 58.100 -0.133 0.000 1.192 56 Y CB 1.585 39.949 38.460 -0.161 0.000 1.275 56 Y HN 0.406 8.686 8.280 -0.000 0.000 0.491 57 A N 0.958 123.780 122.820 0.004 0.000 2.264 57 A HA 0.896 5.217 4.320 0.003 0.000 0.304 57 A C -0.894 176.654 177.584 -0.061 0.000 1.100 57 A CA -0.129 51.810 52.037 -0.165 0.000 0.839 57 A CB 0.367 19.144 19.000 -0.372 0.000 1.121 57 A HN 0.851 9.001 8.150 -0.000 0.000 0.496 58 A N 0.049 122.799 122.820 -0.116 0.000 2.486 58 A HA 0.668 4.990 4.320 0.003 0.000 0.300 58 A C -1.378 176.204 177.584 -0.004 0.000 1.048 58 A CA -0.411 51.606 52.037 -0.035 0.000 0.696 58 A CB 1.606 20.579 19.000 -0.045 0.000 1.278 58 A HN 1.304 9.454 8.150 -0.000 0.000 0.405 59 V N 0.959 120.904 119.914 0.051 0.000 2.524 59 V HA 0.399 4.521 4.120 0.003 0.000 0.297 59 V C -0.792 175.339 176.094 0.061 0.000 1.035 59 V CA -0.556 61.798 62.300 0.090 0.000 0.867 59 V CB 1.356 33.287 31.823 0.180 0.000 1.004 59 V HN 1.092 9.282 8.190 -0.000 0.000 0.426 60 C N 9.272 128.595 119.300 0.039 0.000 2.258 60 C HA 0.630 5.091 4.460 0.003 0.000 0.321 60 C C -2.289 172.730 174.990 0.049 0.000 1.168 60 C CA -1.914 57.120 59.018 0.026 0.000 1.531 60 C CB 0.741 28.475 27.740 -0.011 0.000 2.095 60 C HN 0.722 8.952 8.230 -0.000 0.000 0.449 61 P HA 0.149 4.569 4.420 -0.000 0.000 0.278 61 P C -0.753 176.593 177.300 0.077 0.000 1.238 61 P CA 0.161 63.350 63.100 0.149 0.000 0.794 61 P CB 0.858 32.698 31.700 0.234 0.000 0.955 62 D N 2.451 122.942 120.400 0.151 0.000 2.498 62 D HA 0.063 4.705 4.640 0.003 0.000 0.229 62 D C 1.275 177.593 176.300 0.030 0.000 1.188 62 D CA 0.051 54.112 54.000 0.102 0.000 1.028 62 D CB -0.607 40.301 40.800 0.180 0.000 1.087 62 D HN 0.222 8.592 8.370 -0.000 0.000 0.510 63 L N 2.308 123.502 121.223 -0.048 0.000 2.275 63 L HA -0.155 4.187 4.340 0.003 0.000 0.215 63 L C 1.017 178.037 176.870 0.251 0.000 1.119 63 L CA 0.645 55.484 54.840 -0.001 0.000 0.790 63 L CB -0.270 41.806 42.059 0.029 0.000 0.919 63 L HN 0.447 8.677 8.230 -0.000 0.000 0.443 64 Y N -0.265 120.135 120.300 0.166 0.000 2.471 64 Y HA 0.161 4.713 4.550 0.004 0.000 0.286 64 Y C 2.182 178.163 175.900 0.134 0.000 1.188 64 Y CA -0.365 57.846 58.100 0.185 0.000 1.286 64 Y CB -0.804 37.738 38.460 0.137 0.000 1.072 64 Y HN 0.057 8.337 8.280 -0.000 0.000 0.517 65 A N -0.048 122.946 122.820 0.291 0.000 2.121 65 A HA -0.143 4.179 4.320 0.003 0.000 0.218 65 A C 2.269 180.004 177.584 0.252 0.000 1.154 65 A CA 0.924 53.138 52.037 0.295 0.000 0.679 65 A CB -0.315 18.919 19.000 0.390 0.000 0.795 65 A HN 0.378 8.528 8.150 -0.000 0.000 0.458 66 R N -0.970 119.565 120.500 0.059 0.000 2.235 66 R HA -0.034 4.307 4.340 0.003 0.000 0.213 66 R C 1.877 178.164 176.300 -0.021 0.000 1.059 66 R CA 1.329 57.340 56.100 -0.149 0.000 0.997 66 R CB -0.060 30.031 30.300 -0.348 0.000 0.884 66 R HN 0.677 8.947 8.270 -0.000 0.000 0.462 67 Q N -1.057 118.773 119.800 0.051 0.000 2.462 67 Q HA 0.275 4.617 4.340 0.003 0.000 0.224 67 Q C -0.217 175.805 176.000 0.037 0.000 0.911 67 Q CA 0.467 56.287 55.803 0.029 0.000 0.925 67 Q CB 1.209 29.949 28.738 0.003 0.000 1.063 67 Q HN 0.170 8.440 8.270 -0.000 0.000 0.572 68 A N 1.529 124.393 122.820 0.073 0.000 2.599 68 A HA 0.401 4.722 4.320 0.003 0.000 0.300 68 A C -2.821 174.837 177.584 0.124 0.000 1.151 68 A CA -1.020 51.060 52.037 0.071 0.000 0.883 68 A CB 0.437 19.451 19.000 0.024 0.000 1.480 68 A HN -0.111 8.039 8.150 -0.000 0.000 0.401 69 P HA 0.320 4.740 4.420 -0.000 0.000 0.265 69 P C 1.224 178.601 177.300 0.128 0.000 1.187 69 P CA 2.196 65.388 63.100 0.153 0.000 0.766 69 P CB 0.732 32.513 31.700 0.134 0.000 0.820 70 G N 1.295 110.178 108.800 0.137 0.000 2.143 70 G HA2 -0.235 3.727 3.960 0.003 0.000 0.248 70 G HA3 -0.235 3.727 3.960 0.003 0.000 0.248 70 G C 0.283 175.255 174.900 0.120 0.000 0.991 70 G CA 0.042 45.209 45.100 0.112 0.000 0.689 70 G HN 0.600 8.890 8.290 -0.000 0.000 0.522 71 T N 0.993 115.645 114.554 0.163 0.000 2.853 71 T HA 0.517 4.869 4.350 0.003 0.000 0.298 71 T C 0.488 175.295 174.700 0.178 0.000 0.978 71 T CA 1.096 63.302 62.100 0.177 0.000 1.152 71 T CB 1.247 70.263 68.868 0.247 0.000 0.914 71 T HN 1.568 9.808 8.240 -0.000 0.000 0.539 72 A N 4.905 127.807 122.820 0.137 0.000 2.651 72 A HA 0.598 4.920 4.320 0.003 0.000 0.290 72 A C -0.549 177.099 177.584 0.107 0.000 1.185 72 A CA -0.682 51.425 52.037 0.117 0.000 0.746 72 A CB 0.496 19.539 19.000 0.072 0.000 1.213 72 A HN 0.778 8.928 8.150 -0.000 0.000 0.429 73 L N 1.380 122.697 121.223 0.156 0.000 2.325 73 L HA 0.433 4.775 4.340 0.003 0.000 0.279 73 L C -0.155 176.718 176.870 0.004 0.000 1.054 73 L CA -0.883 54.036 54.840 0.132 0.000 0.804 73 L CB 1.590 43.809 42.059 0.265 0.000 1.200 73 L HN 0.671 8.901 8.230 -0.000 0.000 0.436 74 D N 3.953 124.324 120.400 -0.049 0.000 2.339 74 D HA 0.171 4.813 4.640 0.003 0.000 0.241 74 D C -1.796 174.350 176.300 -0.256 0.000 1.183 74 D CA -2.059 51.853 54.000 -0.146 0.000 0.859 74 D CB 1.499 42.252 40.800 -0.078 0.000 1.067 74 D HN 0.155 8.525 8.370 -0.000 0.000 0.484 75 P HA -0.113 4.307 4.420 -0.000 0.000 0.228 75 P C 0.942 178.084 177.300 -0.264 0.000 1.151 75 P CA 0.731 63.436 63.100 -0.657 0.000 0.770 75 P CB 0.117 31.141 31.700 -1.127 0.000 0.786 76 Q N -0.185 119.502 119.800 -0.188 0.000 2.432 76 Q HA -0.039 4.302 4.340 0.003 0.000 0.205 76 Q C 0.357 176.328 176.000 -0.048 0.000 0.945 76 Q CA 0.301 56.045 55.803 -0.099 0.000 0.924 76 Q CB -0.078 28.606 28.738 -0.090 0.000 1.016 76 Q HN 0.119 8.389 8.270 -0.000 0.000 0.503 77 D N 0.740 121.115 120.400 -0.042 0.000 2.359 77 D HA 0.016 4.658 4.640 0.003 0.000 0.230 77 D C 0.008 176.329 176.300 0.036 0.000 1.118 77 D CA -0.011 53.988 54.000 -0.002 0.000 0.844 77 D CB 1.143 41.941 40.800 -0.002 0.000 1.059 77 D HN 0.236 8.606 8.370 -0.000 0.000 0.493 78 E N 2.779 123.007 120.200 0.048 0.000 2.097 78 E HA -0.246 4.106 4.350 0.003 0.000 0.196 78 E C 1.873 178.531 176.600 0.096 0.000 1.000 78 E CA 1.348 57.796 56.400 0.080 0.000 0.804 78 E CB 0.222 29.960 29.700 0.064 0.000 0.740 78 E HN 0.536 8.896 8.360 -0.000 0.000 0.454 79 R N 0.853 121.397 120.500 0.073 0.000 2.081 79 R HA -0.144 4.198 4.340 0.003 0.000 0.235 79 R C 2.311 178.667 176.300 0.093 0.000 1.131 79 R CA 1.313 57.459 56.100 0.076 0.000 0.960 79 R CB -0.337 29.995 30.300 0.053 0.000 0.856 79 R HN 0.221 8.492 8.270 -0.000 0.000 0.436 80 Q N 0.469 120.322 119.800 0.089 0.000 2.172 80 Q HA -0.012 4.330 4.340 0.003 0.000 0.200 80 Q C 2.162 178.262 176.000 0.166 0.000 0.964 80 Q CA 0.956 56.823 55.803 0.107 0.000 0.855 80 Q CB 0.036 28.821 28.738 0.079 0.000 0.918 80 Q HN 0.344 8.614 8.270 -0.000 0.000 0.444 81 R N 0.824 121.436 120.500 0.187 0.000 2.096 81 R HA -0.146 4.196 4.340 0.003 0.000 0.235 81 R C 1.977 178.432 176.300 0.257 0.000 1.127 81 R CA 1.326 57.586 56.100 0.266 0.000 0.968 81 R CB -0.097 30.382 30.300 0.298 0.000 0.861 81 R HN 0.344 8.614 8.270 -0.000 0.000 0.440 82 E N 0.441 120.794 120.200 0.255 0.000 2.077 82 E HA -0.261 4.091 4.350 0.003 0.000 0.193 82 E C 2.033 178.757 176.600 0.206 0.000 0.989 82 E CA 1.169 57.730 56.400 0.267 0.000 0.800 82 E CB -0.012 29.789 29.700 0.169 0.000 0.746 82 E HN 0.157 8.517 8.360 -0.000 0.000 0.452 83 Q N 0.965 120.848 119.800 0.139 0.000 2.084 83 Q HA -0.147 4.195 4.340 0.003 0.000 0.202 83 Q C 1.945 177.984 176.000 0.065 0.000 0.978 83 Q CA 1.897 57.754 55.803 0.089 0.000 0.844 83 Q CB -0.358 28.423 28.738 0.072 0.000 0.898 83 Q HN 0.248 8.518 8.270 -0.000 0.000 0.426 84 A N -0.709 122.150 122.820 0.064 0.000 1.902 84 A HA -0.179 4.143 4.320 0.003 0.000 0.217 84 A C 1.866 179.435 177.584 -0.025 0.000 1.181 84 A CA 1.573 53.582 52.037 -0.046 0.000 0.623 84 A CB -1.025 17.840 19.000 -0.225 0.000 0.818 84 A HN 0.546 8.696 8.150 -0.000 0.000 0.443 85 Y N -0.064 120.323 120.300 0.145 0.000 2.242 85 Y HA -0.140 4.412 4.550 0.003 0.000 0.291 85 Y C 2.387 178.377 175.900 0.150 0.000 1.137 85 Y CA 1.630 59.861 58.100 0.219 0.000 1.181 85 Y CB -0.263 38.309 38.460 0.187 0.000 0.989 85 Y HN 0.323 8.603 8.280 -0.000 0.000 0.527 86 K N 0.431 120.970 120.400 0.233 0.000 2.026 86 K HA -0.174 4.148 4.320 0.003 0.000 0.208 86 K C 1.891 178.538 176.600 0.078 0.000 1.048 86 K CA 1.405 57.764 56.287 0.121 0.000 0.929 86 K CB -0.396 32.149 32.500 0.075 0.000 0.713 86 K HN 0.298 8.548 8.250 -0.000 0.000 0.439 87 L N -0.377 120.852 121.223 0.010 0.000 2.093 87 L HA -0.183 4.159 4.340 0.003 0.000 0.208 87 L C 2.396 179.353 176.870 0.144 0.000 1.085 87 L CA 0.896 55.658 54.840 -0.130 0.000 0.755 87 L CB -0.498 41.181 42.059 -0.632 0.000 0.904 87 L HN 0.435 8.665 8.230 -0.000 0.000 0.435 88 W N 1.260 122.585 121.300 0.043 0.000 2.381 88 W HA -0.222 4.440 4.660 0.003 0.000 0.301 88 W C 2.584 179.203 176.519 0.167 0.000 1.205 88 W CA 1.542 58.961 57.345 0.124 0.000 1.285 88 W CB -0.439 29.050 29.460 0.049 0.000 1.133 88 W HN 0.146 8.326 8.180 -0.000 0.000 0.521 89 Q N 0.703 120.554 119.800 0.084 0.000 2.170 89 Q HA -0.066 4.275 4.340 0.003 0.000 0.203 89 Q C 1.996 178.011 176.000 0.026 0.000 0.976 89 Q CA 2.381 58.135 55.803 -0.081 0.000 0.858 89 Q CB -0.793 27.916 28.738 -0.047 0.000 0.907 89 Q HN 0.203 8.473 8.270 -0.000 0.000 0.433 90 A N -1.076 121.805 122.820 0.102 0.000 2.251 90 A HA 0.141 4.463 4.320 0.003 0.000 0.209 90 A C 0.219 177.905 177.584 0.171 0.000 1.187 90 A CA -0.499 51.596 52.037 0.095 0.000 0.823 90 A CB -0.477 18.557 19.000 0.058 0.000 0.846 90 A HN 0.375 8.525 8.150 -0.000 0.000 0.486 91 F N 1.521 121.539 119.950 0.114 0.000 2.543 91 F HA 0.237 4.766 4.527 0.003 0.000 0.375 91 F C 0.232 176.101 175.800 0.115 0.000 1.075 91 F CA -0.817 57.287 58.000 0.174 0.000 1.225 91 F CB 0.512 39.721 39.000 0.349 0.000 1.099 91 F HN 0.111 8.411 8.300 -0.000 0.000 0.561 92 D N 7.300 127.412 120.400 -0.480 0.000 2.352 92 D HA 0.042 4.683 4.640 0.003 0.000 0.245 92 D C 1.061 177.079 176.300 -0.469 0.000 1.224 92 D CA -0.151 53.639 54.000 -0.351 0.000 0.879 92 D CB 0.729 41.343 40.800 -0.309 0.000 1.057 92 D HN 0.534 8.904 8.370 -0.000 0.000 0.491 93 M N 2.561 122.130 119.600 -0.052 0.000 2.117 93 M HA -0.131 4.350 4.480 0.003 0.000 0.262 93 M C 1.778 178.104 176.300 0.044 0.000 1.065 93 M CA 1.211 56.591 55.300 0.133 0.000 1.114 93 M CB -0.679 32.060 32.600 0.231 0.000 1.361 93 M HN 0.554 8.844 8.290 -0.000 0.000 0.408 94 E N 0.201 120.402 120.200 0.001 0.000 2.077 94 E HA -0.141 4.211 4.350 0.003 0.000 0.193 94 E C 1.956 178.543 176.600 -0.022 0.000 0.989 94 E CA 1.398 57.803 56.400 0.008 0.000 0.800 94 E CB 0.067 29.767 29.700 0.001 0.000 0.746 94 E HN 0.442 8.802 8.360 -0.000 0.000 0.452 95 A N 0.485 123.241 122.820 -0.106 0.000 1.969 95 A HA -0.058 4.264 4.320 0.003 0.000 0.218 95 A C 2.343 179.845 177.584 -0.138 0.000 1.169 95 A CA 1.524 53.483 52.037 -0.129 0.000 0.635 95 A CB -1.002 17.873 19.000 -0.208 0.000 0.810 95 A HN 0.447 8.597 8.150 -0.000 0.000 0.445 96 G N -0.496 108.193 108.800 -0.186 0.000 2.418 96 G HA2 -0.107 3.855 3.960 0.003 0.000 0.217 96 G HA3 -0.107 3.855 3.960 0.003 0.000 0.217 96 G C 1.503 176.457 174.900 0.090 0.000 1.158 96 G CA 1.180 46.282 45.100 0.003 0.000 0.771 96 G HN 0.295 8.585 8.290 -0.000 0.000 0.545 97 V N 1.569 121.551 119.914 0.114 0.000 2.343 97 V HA -0.088 4.034 4.120 0.003 0.000 0.247 97 V C 3.129 179.328 176.094 0.174 0.000 1.051 97 V CA 2.061 64.459 62.300 0.164 0.000 1.036 97 V CB -0.981 30.937 31.823 0.158 0.000 0.654 97 V HN 0.444 8.634 8.190 -0.000 0.000 0.451 98 G N -0.563 108.305 108.800 0.112 0.000 2.422 98 G HA2 -0.240 3.722 3.960 0.003 0.000 0.218 98 G HA3 -0.240 3.722 3.960 0.003 0.000 0.218 98 G C 1.235 176.192 174.900 0.095 0.000 1.146 98 G CA 0.983 46.140 45.100 0.095 0.000 0.769 98 G HN 0.500 8.790 8.290 -0.000 0.000 0.547 99 D N 0.362 120.791 120.400 0.048 0.000 2.144 99 D HA -0.022 4.619 4.640 0.003 0.000 0.200 99 D C 2.622 178.972 176.300 0.083 0.000 0.978 99 D CA 0.345 54.341 54.000 -0.007 0.000 0.833 99 D CB -0.180 40.351 40.800 -0.449 0.000 0.961 99 D HN 0.287 8.657 8.370 -0.000 0.000 0.470 100 L N 0.822 122.084 121.223 0.066 0.000 2.093 100 L HA -0.115 4.226 4.340 0.003 0.000 0.208 100 L C 2.449 179.389 176.870 0.117 0.000 1.085 100 L CA 0.894 55.803 54.840 0.114 0.000 0.755 100 L CB -0.303 41.835 42.059 0.132 0.000 0.904 100 L HN 0.000 8.230 8.230 -0.000 0.000 0.435 101 E N 0.947 121.181 120.200 0.056 0.000 2.085 101 E HA -0.271 4.081 4.350 0.003 0.000 0.194 101 E C 2.100 178.644 176.600 -0.093 0.000 0.994 101 E CA 1.695 57.959 56.400 -0.227 0.000 0.801 101 E CB 0.081 29.397 29.700 -0.640 0.000 0.743 101 E HN 0.445 8.805 8.360 -0.000 0.000 0.453 102 A N 1.100 123.955 122.820 0.058 0.000 1.930 102 A HA -0.002 4.320 4.320 0.003 0.000 0.217 102 A C 2.423 180.094 177.584 0.146 0.000 1.175 102 A CA 1.973 54.089 52.037 0.131 0.000 0.627 102 A CB -0.620 18.531 19.000 0.252 0.000 0.815 102 A HN 0.372 8.522 8.150 -0.000 0.000 0.443 103 A N -0.318 122.627 122.820 0.208 0.000 1.969 103 A HA 0.005 4.327 4.320 0.003 0.000 0.218 103 A C 2.075 179.753 177.584 0.156 0.000 1.169 103 A CA 1.341 53.481 52.037 0.171 0.000 0.635 103 A CB -0.510 18.618 19.000 0.214 0.000 0.810 103 A HN 0.483 8.633 8.150 -0.000 0.000 0.445 104 I N -1.005 119.631 120.570 0.109 0.000 2.252 104 I HA -0.225 3.947 4.170 0.003 0.000 0.245 104 I C 2.774 178.919 176.117 0.046 0.000 1.102 104 I CA 1.029 62.376 61.300 0.078 0.000 1.385 104 I CB -0.254 37.788 38.000 0.070 0.000 1.064 104 I HN 0.271 8.481 8.210 -0.000 0.000 0.414 105 R N -0.247 120.276 120.500 0.038 0.000 2.073 105 R HA -0.233 4.109 4.340 0.003 0.000 0.234 105 R C 2.407 178.675 176.300 -0.053 0.000 1.134 105 R CA 1.913 58.038 56.100 0.041 0.000 0.952 105 R CB -0.698 29.645 30.300 0.072 0.000 0.850 105 R HN 0.366 8.636 8.270 -0.000 0.000 0.433 106 Y N 1.211 121.393 120.300 -0.197 0.000 2.165 106 Y HA -0.252 4.300 4.550 0.003 0.000 0.286 106 Y C 2.171 177.772 175.900 -0.498 0.000 1.155 106 Y CA 1.611 59.472 58.100 -0.398 0.000 1.164 106 Y CB -0.270 38.085 38.460 -0.174 0.000 0.978 106 Y HN 0.066 8.346 8.280 -0.000 0.000 0.513 107 A N 0.544 123.324 122.820 -0.066 0.000 2.172 107 A HA -0.104 4.218 4.320 0.003 0.000 0.216 107 A C 2.123 179.603 177.584 -0.174 0.000 1.154 107 A CA 1.037 53.033 52.037 -0.067 0.000 0.701 107 A CB -0.471 18.589 19.000 0.100 0.000 0.789 107 A HN 0.480 8.630 8.150 -0.000 0.000 0.465 108 R N -0.241 120.120 120.500 -0.232 0.000 2.193 108 R HA -0.032 4.309 4.340 0.003 0.000 0.213 108 R C 0.412 176.646 176.300 -0.110 0.000 1.055 108 R CA 1.319 57.351 56.100 -0.113 0.000 0.995 108 R CB -0.183 30.124 30.300 0.011 0.000 0.893 108 R HN 0.959 9.229 8.270 -0.000 0.000 0.459 109 H N -1.451 117.496 119.070 -0.205 0.000 2.767 109 H HA 0.323 4.881 4.556 0.003 0.000 0.235 109 H C -0.395 174.710 175.328 -0.371 0.000 1.256 109 H CA -0.571 55.333 56.048 -0.240 0.000 0.957 109 H CB 0.435 30.091 29.762 -0.176 0.000 2.117 109 H HN -0.178 8.102 8.280 -0.000 0.000 0.602 110 Q N 1.318 120.788 119.800 -0.550 0.000 2.237 110 Q HA 0.228 4.570 4.340 0.003 0.000 0.219 110 Q C -1.506 174.131 176.000 -0.605 0.000 0.999 110 Q CA -2.111 53.241 55.803 -0.753 0.000 0.959 110 Q CB 1.303 29.202 28.738 -1.398 0.000 1.173 110 Q HN 0.167 8.437 8.270 -0.000 0.000 0.527 111 P HA -0.147 4.273 4.420 -0.000 0.000 0.216 111 P C 0.728 177.910 177.300 -0.197 0.000 1.150 111 P CA 1.534 64.473 63.100 -0.269 0.000 0.837 111 P CB -0.072 31.542 31.700 -0.144 0.000 0.786 112 Y N -2.716 117.549 120.300 -0.058 0.000 2.490 112 Y HA 0.368 4.920 4.550 0.003 0.000 0.281 112 Y C 0.445 176.313 175.900 -0.053 0.000 1.174 112 Y CA -0.980 57.090 58.100 -0.050 0.000 1.295 112 Y CB -1.381 37.054 38.460 -0.043 0.000 1.062 112 Y HN -0.282 7.998 8.280 -0.000 0.000 0.522 113 S N 3.012 118.652 115.700 -0.101 0.000 2.548 113 S HA 0.014 4.486 4.470 0.003 0.000 0.277 113 S C 1.002 175.595 174.600 -0.011 0.000 1.315 113 S CA -0.296 57.893 58.200 -0.018 0.000 1.050 113 S CB 0.374 63.489 63.200 -0.141 0.000 0.918 113 S HN 0.697 9.007 8.310 -0.000 0.000 0.497 114 N N 1.540 120.248 118.700 0.013 0.000 2.270 114 N HA 0.121 4.863 4.740 0.003 0.000 0.198 114 N C 0.999 176.503 175.510 -0.009 0.000 1.117 114 N CA 0.621 53.667 53.050 -0.005 0.000 0.845 114 N CB 0.096 38.577 38.487 -0.009 0.000 0.980 114 N HN 0.868 9.248 8.380 -0.000 0.000 0.486 115 G N -0.151 108.644 108.800 -0.009 0.000 2.217 115 G HA2 -0.240 3.722 3.960 0.003 0.000 0.246 115 G HA3 -0.240 3.722 3.960 0.003 0.000 0.246 115 G C -0.189 174.709 174.900 -0.004 0.000 0.990 115 G CA 0.078 45.173 45.100 -0.008 0.000 0.627 115 G HN 0.365 8.655 8.290 -0.000 0.000 0.522 116 K N 0.311 120.712 120.400 0.002 0.000 2.110 116 K HA 0.760 5.082 4.320 0.003 0.000 0.263 116 K C -0.355 176.257 176.600 0.020 0.000 0.975 116 K CA -0.521 55.767 56.287 0.001 0.000 0.895 116 K CB 2.468 34.968 32.500 0.001 0.000 1.060 116 K HN 0.246 8.496 8.250 -0.000 0.000 0.448 117 V N 0.741 120.662 119.914 0.011 0.000 2.808 117 V HA 0.551 4.673 4.120 0.003 0.000 0.308 117 V C 0.189 176.292 176.094 0.015 0.000 1.099 117 V CA -0.977 61.341 62.300 0.029 0.000 0.920 117 V CB 2.156 33.997 31.823 0.030 0.000 1.014 117 V HN 0.930 9.120 8.190 -0.000 0.000 0.425 118 G N 2.352 111.164 108.800 0.021 0.000 2.644 118 G HA2 0.838 4.800 3.960 0.003 0.000 0.307 118 G HA3 0.838 4.800 3.960 0.003 0.000 0.307 118 G C -1.736 173.176 174.900 0.020 0.000 1.250 118 G CA -0.766 44.337 45.100 0.005 0.000 0.996 118 G HN 0.751 9.041 8.290 -0.000 0.000 0.489 119 L N 0.099 121.339 121.223 0.027 0.000 2.436 119 L HA 0.765 5.106 4.340 0.003 0.000 0.268 119 L C -1.334 175.538 176.870 0.005 0.000 0.974 119 L CA -0.792 54.066 54.840 0.030 0.000 0.826 119 L CB 2.238 44.330 42.059 0.055 0.000 1.291 119 L HN 0.330 8.560 8.230 -0.000 0.000 0.406 120 V N 3.988 123.898 119.914 -0.006 0.000 2.483 120 V HA 0.821 4.943 4.120 0.003 0.000 0.297 120 V C 0.236 176.277 176.094 -0.089 0.000 1.027 120 V CA -0.236 62.035 62.300 -0.048 0.000 0.855 120 V CB 1.546 33.384 31.823 0.025 0.000 0.995 120 V HN 0.890 9.080 8.190 -0.000 0.000 0.424 121 G N 3.012 111.690 108.800 -0.202 0.000 2.519 121 G HA2 0.724 4.686 3.960 0.003 0.000 0.307 121 G HA3 0.724 4.686 3.960 0.003 0.000 0.307 121 G C -2.058 172.591 174.900 -0.419 0.000 1.266 121 G CA -0.515 44.489 45.100 -0.159 0.000 0.970 121 G HN 0.437 8.727 8.290 -0.000 0.000 0.481 122 Y N 0.781 121.013 120.300 -0.113 0.000 2.361 122 Y HA 0.574 5.125 4.550 0.003 0.000 0.337 122 Y C 1.053 176.868 175.900 -0.142 0.000 0.965 122 Y CA 0.321 58.298 58.100 -0.205 0.000 1.091 122 Y CB 2.192 40.589 38.460 -0.105 0.000 1.182 122 Y HN 0.934 9.214 8.280 -0.000 0.000 0.450 123 S N 1.267 116.966 115.700 -0.002 0.000 4.151 123 S HA -0.355 4.117 4.470 0.003 0.000 0.603 123 S C 1.358 175.889 174.600 -0.115 0.000 1.878 123 S CA 1.788 60.016 58.200 0.046 0.000 4.246 123 S CB -1.252 61.994 63.200 0.076 0.000 0.211 123 S HN 0.928 9.238 8.310 -0.000 0.000 0.469 124 L N 2.871 123.886 121.223 -0.347 0.000 2.021 124 L HA 0.077 4.419 4.340 0.003 0.000 0.215 124 L C 2.446 179.226 176.870 -0.151 0.000 1.074 124 L CA 3.361 57.984 54.840 -0.360 0.000 0.760 124 L CB -1.427 40.231 42.059 -0.668 0.000 0.889 124 L HN 0.755 8.985 8.230 -0.000 0.000 0.433 125 G N -1.369 107.349 108.800 -0.138 0.000 2.448 125 G HA2 -0.164 3.798 3.960 0.003 0.000 0.219 125 G HA3 -0.164 3.798 3.960 0.003 0.000 0.219 125 G C 1.479 176.385 174.900 0.009 0.000 1.127 125 G CA 0.558 45.629 45.100 -0.047 0.000 0.766 125 G HN 0.654 8.944 8.290 -0.000 0.000 0.552 126 G N 0.971 109.772 108.800 0.002 0.000 2.408 126 G HA2 0.093 4.055 3.960 0.003 0.000 0.217 126 G HA3 0.093 4.055 3.960 0.003 0.000 0.217 126 G C 2.002 177.039 174.900 0.229 0.000 1.150 126 G CA 1.396 46.542 45.100 0.077 0.000 0.776 126 G HN 0.580 8.870 8.290 -0.000 0.000 0.542 127 A N 0.691 123.611 122.820 0.166 0.000 1.873 127 A HA 0.130 4.452 4.320 0.003 0.000 0.215 127 A C 2.403 180.141 177.584 0.257 0.000 1.186 127 A CA 1.135 53.302 52.037 0.216 0.000 0.616 127 A CB -0.433 18.676 19.000 0.182 0.000 0.823 127 A HN 0.332 8.482 8.150 -0.000 0.000 0.442 128 L N -0.658 120.680 121.223 0.191 0.000 2.131 128 L HA -0.208 4.134 4.340 0.003 0.000 0.210 128 L C 3.041 180.025 176.870 0.191 0.000 1.092 128 L CA 0.914 55.865 54.840 0.185 0.000 0.759 128 L CB -0.522 41.626 42.059 0.148 0.000 0.903 128 L HN 0.452 8.682 8.230 -0.000 0.000 0.435 129 A N -0.171 122.778 122.820 0.215 0.000 1.902 129 A HA -0.263 4.059 4.320 0.003 0.000 0.217 129 A C 2.153 179.944 177.584 0.344 0.000 1.181 129 A CA 1.511 53.679 52.037 0.218 0.000 0.623 129 A CB -0.736 18.357 19.000 0.155 0.000 0.818 129 A HN 0.400 8.550 8.150 -0.000 0.000 0.443 130 F N 0.585 120.740 119.950 0.340 0.000 2.146 130 F HA -0.068 4.461 4.527 0.003 0.000 0.298 130 F C 1.882 177.740 175.800 0.098 0.000 1.096 130 F CA 1.391 59.545 58.000 0.257 0.000 1.275 130 F CB -0.305 38.721 39.000 0.043 0.000 1.008 130 F HN 0.129 8.429 8.300 -0.000 0.000 0.480 131 L N -0.848 120.400 121.223 0.042 0.000 2.046 131 L HA -0.210 4.132 4.340 0.003 0.000 0.208 131 L C 2.383 179.148 176.870 -0.174 0.000 1.077 131 L CA 0.964 55.742 54.840 -0.103 0.000 0.747 131 L CB -0.930 41.165 42.059 0.060 0.000 0.896 131 L HN -0.007 8.223 8.230 -0.000 0.000 0.432 132 V N 0.140 120.016 119.914 -0.063 0.000 2.343 132 V HA -0.271 3.851 4.120 0.003 0.000 0.247 132 V C 2.759 178.741 176.094 -0.187 0.000 1.051 132 V CA 1.746 63.989 62.300 -0.095 0.000 1.036 132 V CB -0.753 31.122 31.823 0.086 0.000 0.654 132 V HN 0.475 8.665 8.190 -0.000 0.000 0.451 133 A N -0.005 122.741 122.820 -0.123 0.000 1.933 133 A HA -0.122 4.200 4.320 0.003 0.000 0.218 133 A C 2.404 179.837 177.584 -0.252 0.000 1.175 133 A CA 2.013 53.982 52.037 -0.113 0.000 0.628 133 A CB -0.705 18.293 19.000 -0.003 0.000 0.814 133 A HN 0.573 8.723 8.150 -0.000 0.000 0.444 134 A N -0.511 122.048 122.820 -0.435 0.000 1.969 134 A HA -0.104 4.218 4.320 0.003 0.000 0.218 134 A C 2.023 179.413 177.584 -0.323 0.000 1.169 134 A CA 1.629 53.414 52.037 -0.419 0.000 0.635 134 A CB -0.257 18.436 19.000 -0.513 0.000 0.810 134 A HN 0.347 8.497 8.150 -0.000 0.000 0.445 135 K N -1.432 118.713 120.400 -0.425 0.000 2.217 135 K HA 0.036 4.358 4.320 0.003 0.000 0.202 135 K C 1.302 177.637 176.600 -0.442 0.000 1.051 135 K CA 0.895 56.833 56.287 -0.581 0.000 0.952 135 K CB -0.535 31.169 32.500 -1.326 0.000 0.736 135 K HN 0.890 9.140 8.250 -0.000 0.000 0.453 136 G N 1.077 109.704 108.800 -0.289 0.000 2.132 136 G HA2 -0.253 3.709 3.960 0.003 0.000 0.228 136 G HA3 -0.253 3.709 3.960 0.003 0.000 0.228 136 G C 0.403 175.338 174.900 0.058 0.000 1.000 136 G CA 0.242 45.355 45.100 0.021 0.000 0.693 136 G HN 0.179 8.469 8.290 -0.000 0.000 0.515 137 Y N -0.302 120.009 120.300 0.017 0.000 2.373 137 Y HA 0.289 4.841 4.550 0.003 0.000 0.293 137 Y C 1.952 177.823 175.900 -0.048 0.000 1.129 137 Y CA 0.455 58.551 58.100 -0.007 0.000 1.226 137 Y CB -0.472 37.997 38.460 0.015 0.000 1.000 137 Y HN 0.651 8.931 8.280 -0.000 0.000 0.549 138 V N -3.479 116.485 119.914 0.084 0.000 2.994 138 V HA 0.394 4.516 4.120 0.003 0.000 0.318 138 V C 0.736 176.748 176.094 -0.136 0.000 1.085 138 V CA -1.039 61.261 62.300 -0.000 0.000 0.998 138 V CB 1.935 33.786 31.823 0.045 0.000 1.063 138 V HN -0.099 8.091 8.190 -0.000 0.000 0.447 139 D N 0.712 121.036 120.400 -0.127 0.000 2.117 139 D HA 0.037 4.679 4.640 0.003 0.000 0.198 139 D C 0.641 176.888 176.300 -0.089 0.000 0.982 139 D CA 1.533 55.430 54.000 -0.171 0.000 0.828 139 D CB 0.299 41.031 40.800 -0.114 0.000 0.967 139 D HN 0.545 8.915 8.370 -0.000 0.000 0.464 140 R N -0.748 119.720 120.500 -0.052 0.000 2.626 140 R HA 0.663 5.005 4.340 0.003 0.000 0.274 140 R C -1.284 175.087 176.300 0.117 0.000 1.031 140 R CA -0.550 55.542 56.100 -0.013 0.000 0.898 140 R CB 2.641 32.764 30.300 -0.294 0.000 1.222 140 R HN -0.065 8.205 8.270 -0.000 0.000 0.455 141 A N 1.973 124.932 122.820 0.232 0.000 2.401 141 A HA 0.801 5.123 4.320 0.003 0.000 0.310 141 A C -1.075 176.488 177.584 -0.036 0.000 1.075 141 A CA -0.648 51.451 52.037 0.104 0.000 0.746 141 A CB 1.828 20.874 19.000 0.076 0.000 1.277 141 A HN 0.333 8.483 8.150 -0.000 0.000 0.425 142 V N 0.588 120.382 119.914 -0.200 0.000 2.760 142 V HA 0.773 4.895 4.120 0.003 0.000 0.309 142 V C 0.351 176.131 176.094 -0.523 0.000 1.077 142 V CA -0.117 61.884 62.300 -0.498 0.000 0.910 142 V CB 2.181 33.852 31.823 -0.254 0.000 1.008 142 V HN 1.348 9.538 8.190 -0.000 0.000 0.424 143 G N 2.440 110.723 108.800 -0.861 0.000 2.626 143 G HA2 0.620 4.582 3.960 0.003 0.000 0.304 143 G HA3 0.620 4.582 3.960 0.003 0.000 0.304 143 G C -1.695 172.988 174.900 -0.361 0.000 1.385 143 G CA -0.355 44.492 45.100 -0.421 0.000 0.957 143 G HN 0.439 8.729 8.290 -0.000 0.000 0.504 144 Y N 1.991 121.919 120.300 -0.621 0.000 2.326 144 Y HA 0.308 4.860 4.550 0.003 0.000 0.337 144 Y C 0.508 175.861 175.900 -0.912 0.000 1.023 144 Y CA -0.740 56.842 58.100 -0.862 0.000 1.143 144 Y CB 0.776 38.357 38.460 -1.464 0.000 1.183 144 Y HN 0.753 9.033 8.280 -0.000 0.000 0.485 145 Y N 0.106 120.431 120.300 0.042 0.000 2.967 145 Y HA -0.247 4.304 4.550 0.003 0.000 0.208 145 Y C 0.681 176.625 175.900 0.074 0.000 1.214 145 Y CA -0.266 57.859 58.100 0.042 0.000 0.915 145 Y CB -2.009 36.384 38.460 -0.111 0.000 1.218 145 Y HN 0.702 8.982 8.280 -0.000 0.000 0.472 146 G N 0.075 108.974 108.800 0.166 0.000 2.491 146 G HA2 0.424 4.386 3.960 0.003 0.000 0.242 146 G HA3 0.424 4.386 3.960 0.003 0.000 0.242 146 G C -0.340 174.640 174.900 0.133 0.000 1.266 146 G CA -0.182 45.004 45.100 0.142 0.000 0.844 146 G HN 0.486 8.776 8.290 -0.000 0.000 0.571 147 V N 1.645 121.610 119.914 0.084 0.000 2.472 147 V HA 0.671 4.793 4.120 0.003 0.000 0.290 147 V C 1.214 177.376 176.094 0.114 0.000 1.037 147 V CA 0.745 63.079 62.300 0.056 0.000 0.908 147 V CB 0.928 32.688 31.823 -0.106 0.000 0.985 147 V HN 1.711 9.901 8.190 -0.000 0.000 0.454 148 G N 3.425 112.293 108.800 0.113 0.000 2.136 148 G HA2 -0.227 3.735 3.960 0.003 0.000 0.242 148 G HA3 -0.227 3.735 3.960 0.003 0.000 0.242 148 G C 0.592 175.520 174.900 0.047 0.000 0.989 148 G CA 0.383 45.542 45.100 0.099 0.000 0.682 148 G HN 0.646 8.936 8.290 -0.000 0.000 0.522 149 L N 0.721 121.930 121.223 -0.022 0.000 2.265 149 L HA -0.060 4.282 4.340 0.003 0.000 0.215 149 L C 2.831 179.621 176.870 -0.134 0.000 1.117 149 L CA 1.750 56.496 54.840 -0.158 0.000 0.782 149 L CB -0.229 41.605 42.059 -0.375 0.000 0.914 149 L HN 0.609 8.839 8.230 -0.000 0.000 0.441 150 E N 0.802 120.963 120.200 -0.065 0.000 2.478 150 E HA -0.190 4.162 4.350 0.003 0.000 0.198 150 E C 1.216 177.820 176.600 0.006 0.000 1.046 150 E CA 0.839 57.216 56.400 -0.039 0.000 0.870 150 E CB -0.041 29.651 29.700 -0.014 0.000 0.818 150 E HN 0.465 8.825 8.360 -0.000 0.000 0.527 151 K N -0.016 120.401 120.400 0.027 0.000 2.374 151 K HA 0.126 4.448 4.320 0.003 0.000 0.196 151 K C 0.830 177.478 176.600 0.080 0.000 1.023 151 K CA 0.035 56.353 56.287 0.052 0.000 1.103 151 K CB 0.571 33.106 32.500 0.059 0.000 0.848 151 K HN -0.024 8.226 8.250 -0.000 0.000 0.528 152 Q N 0.318 120.176 119.800 0.097 0.000 2.135 152 Q HA 0.204 4.546 4.340 0.003 0.000 0.231 152 Q C 1.235 177.380 176.000 0.242 0.000 0.817 152 Q CA 0.040 55.962 55.803 0.197 0.000 1.073 152 Q CB 0.665 29.602 28.738 0.331 0.000 1.176 152 Q HN 0.282 8.552 8.270 -0.000 0.000 0.478 153 L N 1.132 122.441 121.223 0.142 0.000 2.362 153 L HA -0.134 4.208 4.340 0.003 0.000 0.219 153 L C 1.688 178.644 176.870 0.143 0.000 1.134 153 L CA 0.720 55.653 54.840 0.154 0.000 0.807 153 L CB -0.320 41.801 42.059 0.104 0.000 0.927 153 L HN 0.297 8.527 8.230 -0.000 0.000 0.447 154 N N 0.585 119.354 118.700 0.115 0.000 2.453 154 N HA -0.186 4.556 4.740 0.003 0.000 0.183 154 N C 1.245 176.798 175.510 0.072 0.000 1.041 154 N CA 0.832 53.928 53.050 0.077 0.000 0.900 154 N CB -0.174 38.348 38.487 0.058 0.000 0.961 154 N HN 0.413 8.793 8.380 -0.000 0.000 0.443 155 K N 0.472 120.943 120.400 0.118 0.000 2.426 155 K HA 0.155 4.477 4.320 0.003 0.000 0.193 155 K C 1.696 178.304 176.600 0.012 0.000 1.028 155 K CA -0.082 56.228 56.287 0.038 0.000 1.047 155 K CB 0.345 32.833 32.500 -0.021 0.000 0.821 155 K HN -0.061 8.189 8.250 -0.000 0.000 0.513 156 V N 2.461 122.443 119.914 0.114 0.000 2.324 156 V HA -0.200 3.922 4.120 0.003 0.000 0.250 156 V C -0.975 175.095 176.094 -0.040 0.000 1.060 156 V CA 1.917 64.240 62.300 0.038 0.000 1.042 156 V CB -0.986 30.858 31.823 0.034 0.000 0.650 156 V HN 0.258 8.448 8.190 -0.000 0.000 0.450 157 P HA -0.081 4.339 4.420 -0.000 0.000 0.233 157 P C 1.225 178.483 177.300 -0.069 0.000 1.167 157 P CA 0.959 64.034 63.100 -0.041 0.000 0.770 157 P CB -0.009 31.678 31.700 -0.022 0.000 0.837 158 E N -0.456 119.688 120.200 -0.092 0.000 2.358 158 E HA 0.022 4.374 4.350 0.003 0.000 0.195 158 E C 0.276 176.785 176.600 -0.152 0.000 1.010 158 E CA 0.116 56.444 56.400 -0.120 0.000 0.856 158 E CB 0.027 29.641 29.700 -0.143 0.000 0.795 158 E HN 0.067 8.427 8.360 -0.000 0.000 0.504 159 V N 2.254 122.070 119.914 -0.164 0.000 2.439 159 V HA 0.003 4.124 4.120 0.003 0.000 0.271 159 V C 0.806 176.816 176.094 -0.140 0.000 1.040 159 V CA 0.681 62.885 62.300 -0.160 0.000 1.002 159 V CB 0.934 32.665 31.823 -0.154 0.000 1.000 159 V HN 0.126 8.316 8.190 -0.000 0.000 0.477 160 K N 3.334 123.621 120.400 -0.189 0.000 2.447 160 K HA 0.306 4.628 4.320 0.003 0.000 0.205 160 K C -0.075 176.176 176.600 -0.582 0.000 1.059 160 K CA -0.236 55.854 56.287 -0.328 0.000 1.065 160 K CB 0.512 32.790 32.500 -0.370 0.000 0.885 160 K HN 0.693 8.943 8.250 -0.000 0.000 0.545 161 H N 0.071 119.132 119.070 -0.014 0.000 2.865 161 H HA 0.307 4.865 4.556 0.003 0.000 0.372 161 H C -2.750 172.605 175.328 0.045 0.000 1.173 161 H CA -2.417 53.632 56.048 0.002 0.000 1.147 161 H CB 1.667 31.426 29.762 -0.005 0.000 1.805 161 H HN -0.217 8.063 8.280 -0.000 0.000 0.553 162 P HA 0.241 4.661 4.420 -0.000 0.000 0.268 162 P C -1.089 176.473 177.300 0.436 0.000 1.204 162 P CA 0.003 63.269 63.100 0.276 0.000 0.768 162 P CB 0.579 32.413 31.700 0.224 0.000 0.842 163 A N 3.171 126.217 122.820 0.377 0.000 2.427 163 A HA 0.649 4.971 4.320 0.003 0.000 0.298 163 A C -1.650 175.872 177.584 -0.103 0.000 1.036 163 A CA -0.587 51.580 52.037 0.216 0.000 0.701 163 A CB 1.010 20.214 19.000 0.340 0.000 1.250 163 A HN 0.505 8.655 8.150 -0.000 0.000 0.412 164 L N 1.986 122.755 121.223 -0.758 0.000 2.341 164 L HA 0.921 5.263 4.340 0.003 0.000 0.278 164 L C -1.808 174.303 176.870 -1.265 0.000 1.005 164 L CA -0.509 53.742 54.840 -0.983 0.000 0.818 164 L CB 0.871 41.962 42.059 -1.613 0.000 1.259 164 L HN 0.526 8.756 8.230 -0.000 0.000 0.418 165 F N 3.568 123.220 119.950 -0.496 0.000 2.529 165 F HA 0.522 5.051 4.527 0.003 0.000 0.320 165 F C -0.180 175.286 175.800 -0.556 0.000 1.118 165 F CA -0.557 57.163 58.000 -0.467 0.000 0.915 165 F CB 1.590 40.460 39.000 -0.217 0.000 1.161 165 F HN 0.405 8.705 8.300 -0.000 0.000 0.445 166 H N 4.864 123.821 119.070 -0.189 0.000 2.511 166 H HA 0.533 5.090 4.556 0.003 0.000 0.328 166 H C -0.540 174.853 175.328 0.109 0.000 1.044 166 H CA -0.537 55.521 56.048 0.016 0.000 1.212 166 H CB 1.623 31.195 29.762 -0.317 0.000 1.428 166 H HN 0.402 8.682 8.280 -0.000 0.000 0.483 167 M N 1.478 121.212 119.600 0.224 0.000 2.530 167 M HA 0.326 4.808 4.480 0.003 0.000 0.307 167 M C 0.729 177.292 176.300 0.439 0.000 1.161 167 M CA -0.798 54.574 55.300 0.121 0.000 0.903 167 M CB 2.227 34.350 32.600 -0.795 0.000 1.711 167 M HN 0.644 8.934 8.290 -0.000 0.000 0.451 168 G N 0.166 109.281 108.800 0.524 0.000 2.356 168 G HA2 0.483 4.445 3.960 0.003 0.000 0.298 168 G HA3 0.483 4.445 3.960 0.003 0.000 0.298 168 G C 0.757 175.893 174.900 0.394 0.000 1.145 168 G CA -0.422 44.933 45.100 0.424 0.000 0.850 168 G HN 0.942 9.232 8.290 -0.000 0.000 0.487 169 G N 0.173 109.155 108.800 0.303 0.000 2.598 169 G HA2 -0.020 3.942 3.960 0.003 0.000 0.215 169 G HA3 -0.020 3.942 3.960 0.003 0.000 0.215 169 G C 1.009 175.958 174.900 0.082 0.000 1.131 169 G CA 0.262 45.496 45.100 0.223 0.000 0.785 169 G HN 0.604 8.894 8.290 -0.000 0.000 0.539 170 Q N 0.137 119.988 119.800 0.086 0.000 2.165 170 Q HA 0.106 4.448 4.340 0.003 0.000 0.245 170 Q C -0.851 175.169 176.000 0.033 0.000 0.841 170 Q CA -0.366 55.466 55.803 0.048 0.000 1.078 170 Q CB 0.946 29.761 28.738 0.129 0.000 1.169 170 Q HN 0.191 8.461 8.270 -0.000 0.000 0.475 171 D N -0.097 120.328 120.400 0.040 0.000 2.347 171 D HA 0.057 4.699 4.640 0.003 0.000 0.235 171 D C 0.202 176.486 176.300 -0.027 0.000 1.149 171 D CA -0.321 53.774 54.000 0.158 0.000 0.850 171 D CB 0.687 41.704 40.800 0.363 0.000 1.061 171 D HN 0.158 8.528 8.370 -0.000 0.000 0.487 172 H N 2.718 121.837 119.070 0.082 0.000 2.556 172 H HA 0.093 4.651 4.556 0.003 0.000 0.268 172 H C 0.936 176.256 175.328 -0.013 0.000 0.996 172 H CA 0.302 56.355 56.048 0.008 0.000 1.157 172 H CB 0.054 29.782 29.762 -0.057 0.000 1.355 172 H HN 0.399 8.679 8.280 -0.000 0.000 0.597 173 F N -0.275 119.740 119.950 0.108 0.000 2.502 173 F HA -0.014 4.514 4.527 0.003 0.000 0.298 173 F C 0.748 176.611 175.800 0.106 0.000 1.111 173 F CA 0.514 58.572 58.000 0.097 0.000 1.445 173 F CB 0.495 39.543 39.000 0.080 0.000 1.081 173 F HN -0.107 8.193 8.300 -0.000 0.000 0.558 174 V N 2.366 122.447 119.914 0.279 0.000 2.260 174 V HA 0.254 4.376 4.120 0.003 0.000 0.263 174 V C -2.169 173.970 176.094 0.075 0.000 1.036 174 V CA -1.739 60.684 62.300 0.205 0.000 0.874 174 V CB -0.173 31.837 31.823 0.312 0.000 1.116 174 V HN -0.143 8.047 8.190 -0.000 0.000 0.454 175 P HA 0.218 4.638 4.420 -0.000 0.000 0.274 175 P C 1.109 178.380 177.300 -0.050 0.000 1.256 175 P CA 0.065 63.153 63.100 -0.019 0.000 0.795 175 P CB 1.353 33.078 31.700 0.042 0.000 1.038 176 A N 2.443 125.219 122.820 -0.073 0.000 1.915 176 A HA -0.184 4.138 4.320 0.003 0.000 0.220 176 A C -0.306 177.211 177.584 -0.112 0.000 1.198 176 A CA 2.380 54.347 52.037 -0.116 0.000 0.647 176 A CB -2.649 16.296 19.000 -0.091 0.000 0.825 176 A HN 0.551 8.701 8.150 -0.000 0.000 0.456 177 P HA -0.066 4.354 4.420 -0.000 0.000 0.217 177 P C 1.546 178.812 177.300 -0.057 0.000 1.151 177 P CA 1.707 64.773 63.100 -0.056 0.000 0.828 177 P CB -0.232 31.451 31.700 -0.029 0.000 0.788 178 S N 0.190 115.869 115.700 -0.035 0.000 2.368 178 S HA -0.132 4.340 4.470 0.003 0.000 0.224 178 S C 2.170 176.743 174.600 -0.045 0.000 1.029 178 S CA 1.119 59.309 58.200 -0.016 0.000 0.988 178 S CB -0.714 62.507 63.200 0.035 0.000 0.838 178 S HN 0.208 8.518 8.310 -0.000 0.000 0.462 179 R N 1.436 121.872 120.500 -0.107 0.000 2.096 179 R HA -0.132 4.210 4.340 0.003 0.000 0.235 179 R C 2.405 178.518 176.300 -0.312 0.000 1.127 179 R CA 1.702 57.621 56.100 -0.302 0.000 0.968 179 R CB -0.316 29.582 30.300 -0.669 0.000 0.861 179 R HN 0.493 8.763 8.270 -0.000 0.000 0.440 180 Q N 0.509 120.168 119.800 -0.236 0.000 2.084 180 Q HA -0.151 4.191 4.340 0.003 0.000 0.202 180 Q C 2.154 178.089 176.000 -0.109 0.000 0.978 180 Q CA 1.687 57.382 55.803 -0.182 0.000 0.844 180 Q CB -0.077 28.581 28.738 -0.133 0.000 0.898 180 Q HN 0.478 8.748 8.270 -0.000 0.000 0.426 181 L N 0.190 121.364 121.223 -0.081 0.000 2.046 181 L HA -0.197 4.144 4.340 0.003 0.000 0.208 181 L C 2.425 179.262 176.870 -0.055 0.000 1.077 181 L CA 1.035 55.846 54.840 -0.048 0.000 0.747 181 L CB -0.360 41.679 42.059 -0.033 0.000 0.896 181 L HN 0.319 8.549 8.230 -0.000 0.000 0.432 182 I N -0.809 119.698 120.570 -0.104 0.000 2.252 182 I HA -0.248 3.923 4.170 0.003 0.000 0.245 182 I C 2.505 178.516 176.117 -0.177 0.000 1.102 182 I CA 1.368 62.520 61.300 -0.247 0.000 1.385 182 I CB -0.448 37.355 38.000 -0.329 0.000 1.064 182 I HN 0.227 8.437 8.210 -0.000 0.000 0.414 183 T N 0.105 114.636 114.554 -0.039 0.000 2.708 183 T HA -0.181 4.171 4.350 0.003 0.000 0.266 183 T C 1.774 176.500 174.700 0.043 0.000 1.037 183 T CA 1.445 63.571 62.100 0.043 0.000 1.146 183 T CB -0.209 68.632 68.868 -0.044 0.000 0.865 183 T HN 0.392 8.632 8.240 -0.000 0.000 0.435 184 E N 0.248 120.453 120.200 0.008 0.000 2.072 184 E HA -0.015 4.337 4.350 0.003 0.000 0.191 184 E C 2.543 179.187 176.600 0.074 0.000 0.985 184 E CA 0.817 57.235 56.400 0.029 0.000 0.801 184 E CB -0.315 29.387 29.700 0.003 0.000 0.750 184 E HN 0.509 8.869 8.360 -0.000 0.000 0.452 185 G N 0.599 109.457 108.800 0.096 0.000 2.404 185 G HA2 -0.224 3.737 3.960 0.003 0.000 0.215 185 G HA3 -0.224 3.737 3.960 0.003 0.000 0.215 185 G C 1.167 176.226 174.900 0.264 0.000 1.174 185 G CA 0.331 45.525 45.100 0.157 0.000 0.780 185 G HN 0.119 8.409 8.290 -0.000 0.000 0.537 186 F N 1.973 121.909 119.950 -0.024 0.000 2.293 186 F HA 0.106 4.635 4.527 0.003 0.000 0.300 186 F C 2.782 178.590 175.800 0.013 0.000 1.086 186 F CA 0.184 58.175 58.000 -0.016 0.000 1.375 186 F CB -0.762 38.205 39.000 -0.055 0.000 1.045 186 F HN 0.178 8.478 8.300 -0.000 0.000 0.516 187 G N -0.529 108.398 108.800 0.211 0.000 2.479 187 G HA2 -0.143 3.819 3.960 0.003 0.000 0.220 187 G HA3 -0.143 3.819 3.960 0.003 0.000 0.220 187 G C 1.820 176.769 174.900 0.082 0.000 1.115 187 G CA 0.733 45.906 45.100 0.121 0.000 0.757 187 G HN 0.420 8.710 8.290 -0.000 0.000 0.560 188 A N -0.354 122.512 122.820 0.077 0.000 2.167 188 A HA 0.141 4.463 4.320 0.003 0.000 0.214 188 A C 1.148 178.750 177.584 0.029 0.000 1.151 188 A CA 0.418 52.483 52.037 0.046 0.000 0.735 188 A CB -0.039 18.986 19.000 0.042 0.000 0.802 188 A HN 0.311 8.461 8.150 -0.000 0.000 0.467 189 N N -0.552 118.164 118.700 0.027 0.000 2.491 189 N HA 0.342 5.084 4.740 0.003 0.000 0.274 189 N C -2.723 172.799 175.510 0.020 0.000 1.023 189 N CA -2.041 51.013 53.050 0.006 0.000 0.902 189 N CB 1.825 40.295 38.487 -0.028 0.000 1.267 189 N HN -0.180 8.200 8.380 -0.000 0.000 0.503 190 P HA 0.040 4.460 4.420 -0.000 0.000 0.231 190 P C 1.203 178.532 177.300 0.050 0.000 1.158 190 P CA 0.653 63.775 63.100 0.037 0.000 0.763 190 P CB 0.441 32.160 31.700 0.031 0.000 0.805 191 L N -1.935 119.311 121.223 0.039 0.000 2.478 191 L HA 0.032 4.374 4.340 0.003 0.000 0.223 191 L C 0.990 177.922 176.870 0.103 0.000 1.140 191 L CA 0.312 55.191 54.840 0.065 0.000 0.842 191 L CB -0.251 41.823 42.059 0.025 0.000 0.953 191 L HN -0.006 8.224 8.230 -0.000 0.000 0.452 192 L N -0.038 121.228 121.223 0.072 0.000 2.309 192 L HA 0.357 4.699 4.340 0.003 0.000 0.282 192 L C -0.383 176.556 176.870 0.117 0.000 1.036 192 L CA -0.220 54.682 54.840 0.103 0.000 0.806 192 L CB 1.562 43.600 42.059 -0.035 0.000 1.220 192 L HN 0.067 8.297 8.230 -0.000 0.000 0.429 193 Q N 2.242 122.109 119.800 0.111 0.000 2.356 193 Q HA 0.627 4.968 4.340 0.003 0.000 0.270 193 Q C -1.484 174.496 176.000 -0.034 0.000 1.058 193 Q CA -0.547 55.233 55.803 -0.038 0.000 0.802 193 Q CB 3.614 32.250 28.738 -0.169 0.000 1.303 193 Q HN 0.397 8.667 8.270 -0.000 0.000 0.444 194 V N 3.454 123.272 119.914 -0.160 0.000 2.623 194 V HA 0.431 4.553 4.120 0.003 0.000 0.304 194 V C -1.547 174.277 176.094 -0.450 0.000 1.054 194 V CA -0.399 61.763 62.300 -0.229 0.000 0.882 194 V CB 1.638 33.352 31.823 -0.180 0.000 1.002 194 V HN 0.811 9.001 8.190 -0.000 0.000 0.424 195 H N 4.556 123.433 119.070 -0.322 0.000 2.492 195 H HA 0.441 4.999 4.556 0.003 0.000 0.345 195 H C -1.444 173.528 175.328 -0.593 0.000 1.136 195 H CA -0.235 55.619 56.048 -0.324 0.000 1.202 195 H CB 1.682 31.322 29.762 -0.204 0.000 1.524 195 H HN 0.715 8.995 8.280 -0.000 0.000 0.506 196 W N 2.035 123.257 121.300 -0.129 0.000 2.529 196 W HA 0.306 4.968 4.660 0.003 0.000 0.321 196 W C -0.796 175.497 176.519 -0.377 0.000 1.047 196 W CA -0.678 56.607 57.345 -0.099 0.000 1.216 196 W CB 0.793 30.214 29.460 -0.064 0.000 1.357 196 W HN 0.445 8.625 8.180 -0.000 0.000 0.489 197 Y N 2.979 123.338 120.300 0.099 0.000 2.491 197 Y HA 0.162 4.714 4.550 0.003 0.000 0.334 197 Y C 1.410 177.278 175.900 -0.054 0.000 0.969 197 Y CA -0.676 57.362 58.100 -0.104 0.000 1.241 197 Y CB 0.761 38.931 38.460 -0.482 0.000 1.105 197 Y HN 0.436 8.716 8.280 -0.000 0.000 0.503 198 E N 1.421 121.635 120.200 0.023 0.000 2.265 198 E HA -0.131 4.221 4.350 0.003 0.000 0.196 198 E C 0.475 177.087 176.600 0.020 0.000 0.996 198 E CA 0.934 57.355 56.400 0.036 0.000 0.832 198 E CB 0.280 29.985 29.700 0.009 0.000 0.756 198 E HN 0.697 9.057 8.360 -0.000 0.000 0.491 199 E N -0.141 120.052 120.200 -0.011 0.000 2.499 199 E HA 0.323 4.675 4.350 0.003 0.000 0.199 199 E C -0.030 176.543 176.600 -0.045 0.000 1.016 199 E CA -0.184 56.203 56.400 -0.022 0.000 0.933 199 E CB 0.772 30.450 29.700 -0.036 0.000 1.050 199 E HN 0.058 8.418 8.360 -0.000 0.000 0.462 200 A N -0.012 122.773 122.820 -0.058 0.000 2.413 200 A HA 0.792 5.114 4.320 0.003 0.000 0.307 200 A C 0.377 178.001 177.584 0.066 0.000 1.087 200 A CA -0.212 51.772 52.037 -0.088 0.000 0.750 200 A CB 1.693 20.399 19.000 -0.491 0.000 1.296 200 A HN 0.134 8.284 8.150 -0.000 0.000 0.423 201 G N -0.770 108.114 108.800 0.139 0.000 3.039 201 G HA2 0.490 4.452 3.960 0.003 0.000 0.159 201 G HA3 0.490 4.452 3.960 0.003 0.000 0.159 201 G C -0.410 174.630 174.900 0.232 0.000 1.284 201 G CA -0.375 44.847 45.100 0.204 0.000 0.996 201 G HN 0.930 9.220 8.290 -0.000 0.000 0.592 202 H N -0.685 118.424 119.070 0.065 0.000 2.679 202 H HA 0.354 4.912 4.556 0.003 0.000 0.369 202 H C 1.001 176.061 175.328 -0.446 0.000 1.178 202 H CA 1.237 57.186 56.048 -0.165 0.000 1.419 202 H CB 0.773 30.620 29.762 0.141 0.000 1.458 202 H HN 0.433 8.713 8.280 -0.000 0.000 0.605 203 S N 1.869 116.681 115.700 -1.479 0.000 3.561 203 S HA -0.274 4.198 4.470 0.003 0.000 0.318 203 S C 0.993 175.282 174.600 -0.519 0.000 1.181 203 S CA 0.884 58.514 58.200 -0.950 0.000 0.916 203 S CB -2.211 60.808 63.200 -0.302 0.000 0.966 203 S HN 0.713 9.023 8.310 -0.000 0.000 0.550 204 F N -0.066 119.590 119.950 -0.490 0.000 2.546 204 F HA 0.454 4.983 4.527 0.003 0.000 0.298 204 F C 1.711 177.528 175.800 0.029 0.000 1.120 204 F CA 0.477 58.397 58.000 -0.134 0.000 1.456 204 F CB -0.575 38.354 39.000 -0.117 0.000 1.088 204 F HN 0.297 8.597 8.300 -0.000 0.000 0.572 205 A N 0.406 123.169 122.820 -0.095 0.000 2.308 205 A HA 0.665 4.987 4.320 0.003 0.000 0.217 205 A C 1.258 178.834 177.584 -0.015 0.000 1.216 205 A CA 0.209 52.258 52.037 0.020 0.000 0.864 205 A CB -0.892 18.012 19.000 -0.161 0.000 0.902 205 A HN 0.384 8.534 8.150 -0.000 0.000 0.499 206 A N 0.655 123.325 122.820 -0.249 0.000 2.279 206 A HA 0.469 4.791 4.320 0.003 0.000 0.306 206 A C 1.398 178.754 177.584 -0.380 0.000 1.300 206 A CA 0.299 51.959 52.037 -0.628 0.000 0.925 206 A CB -0.252 18.076 19.000 -1.120 0.000 1.152 206 A HN 0.602 8.752 8.150 -0.000 0.000 0.544 207 T N -0.221 114.003 114.554 -0.551 0.000 2.929 207 T HA -0.170 4.181 4.350 0.003 0.000 0.271 207 T C 1.532 175.891 174.700 -0.569 0.000 1.085 207 T CA 1.853 63.332 62.100 -1.035 0.000 1.125 207 T CB -0.425 67.973 68.868 -0.784 0.000 0.874 207 T HN 0.930 9.170 8.240 -0.000 0.000 0.494 208 S N 0.316 115.805 115.700 -0.351 0.000 2.548 208 S HA 0.252 4.724 4.470 0.003 0.000 0.215 208 S C 0.985 175.474 174.600 -0.185 0.000 0.976 208 S CA -0.259 57.800 58.200 -0.236 0.000 0.908 208 S CB -0.182 62.898 63.200 -0.199 0.000 0.781 208 S HN 0.481 8.791 8.310 -0.000 0.000 0.519 209 S N 2.074 117.661 115.700 -0.189 0.000 2.580 209 S HA 0.285 4.757 4.470 0.003 0.000 0.274 209 S C 1.362 175.950 174.600 -0.019 0.000 1.329 209 S CA -0.047 58.083 58.200 -0.116 0.000 1.036 209 S CB 0.876 63.992 63.200 -0.140 0.000 0.919 209 S HN 0.522 8.832 8.310 -0.000 0.000 0.515 210 S N 3.164 118.862 115.700 -0.004 0.000 2.507 210 S HA 0.024 4.496 4.470 0.003 0.000 0.235 210 S C 1.540 176.171 174.600 0.053 0.000 0.988 210 S CA 0.682 58.898 58.200 0.027 0.000 0.944 210 S CB -0.511 62.703 63.200 0.023 0.000 0.762 210 S HN 0.889 9.199 8.310 -0.000 0.000 0.526 211 G N -0.367 108.463 108.800 0.051 0.000 3.042 211 G HA2 0.128 4.090 3.960 0.003 0.000 0.212 211 G HA3 0.128 4.090 3.960 0.003 0.000 0.212 211 G C 0.055 175.011 174.900 0.094 0.000 1.166 211 G CA -0.565 44.572 45.100 0.061 0.000 0.767 211 G HN 0.530 8.820 8.290 -0.000 0.000 0.546 212 Y N 1.305 121.587 120.300 -0.030 0.000 2.717 212 Y HA 0.318 4.870 4.550 0.003 0.000 0.330 212 Y C -0.446 175.473 175.900 0.032 0.000 1.217 212 Y CA -0.223 57.869 58.100 -0.012 0.000 1.506 212 Y CB 0.856 39.284 38.460 -0.052 0.000 1.268 212 Y HN -0.118 8.162 8.280 -0.000 0.000 0.561 213 V N 8.038 127.606 119.914 -0.577 0.000 2.419 213 V HA 0.358 4.480 4.120 0.003 0.000 0.287 213 V C 0.674 176.300 176.094 -0.780 0.000 1.017 213 V CA -0.208 61.781 62.300 -0.517 0.000 0.844 213 V CB 0.696 32.369 31.823 -0.250 0.000 1.011 213 V HN 1.041 9.231 8.190 -0.000 0.000 0.429 214 A N 3.872 126.192 122.820 -0.834 0.000 1.908 214 A HA -0.136 4.186 4.320 0.003 0.000 0.218 214 A C 2.335 179.788 177.584 -0.219 0.000 1.181 214 A CA 2.405 54.120 52.037 -0.537 0.000 0.627 214 A CB -0.334 18.588 19.000 -0.130 0.000 0.818 214 A HN 1.041 9.191 8.150 -0.000 0.000 0.445 215 S N 0.049 115.649 115.700 -0.167 0.000 2.368 215 S HA 0.087 4.559 4.470 0.003 0.000 0.224 215 S C 2.120 176.675 174.600 -0.076 0.000 1.029 215 S CA 1.274 59.426 58.200 -0.081 0.000 0.988 215 S CB -0.693 62.470 63.200 -0.061 0.000 0.838 215 S HN 0.884 9.194 8.310 -0.000 0.000 0.462 216 A N 2.206 124.933 122.820 -0.156 0.000 1.898 216 A HA 0.374 4.696 4.320 0.003 0.000 0.216 216 A C 2.546 180.055 177.584 -0.125 0.000 1.181 216 A CA 1.629 53.518 52.037 -0.247 0.000 0.620 216 A CB -1.485 17.092 19.000 -0.705 0.000 0.819 216 A HN 0.847 8.997 8.150 -0.000 0.000 0.442 217 A N -0.047 122.806 122.820 0.055 0.000 1.902 217 A HA 0.132 4.454 4.320 0.003 0.000 0.217 217 A C 2.492 180.108 177.584 0.053 0.000 1.181 217 A CA 2.171 54.313 52.037 0.175 0.000 0.623 217 A CB -0.977 18.113 19.000 0.151 0.000 0.818 217 A HN 1.024 9.174 8.150 -0.000 0.000 0.443 218 A N -0.651 122.182 122.820 0.022 0.000 1.898 218 A HA 0.018 4.339 4.320 0.003 0.000 0.216 218 A C 2.127 179.740 177.584 0.049 0.000 1.181 218 A CA 1.680 53.742 52.037 0.041 0.000 0.620 218 A CB -0.604 18.422 19.000 0.042 0.000 0.819 218 A HN 0.662 8.812 8.150 -0.000 0.000 0.442 219 L N -0.155 121.092 121.223 0.040 0.000 2.017 219 L HA -0.041 4.301 4.340 0.003 0.000 0.208 219 L C 2.656 179.548 176.870 0.037 0.000 1.073 219 L CA 2.232 57.116 54.840 0.073 0.000 0.745 219 L CB -0.897 41.249 42.059 0.146 0.000 0.894 219 L HN 0.338 8.568 8.230 -0.000 0.000 0.432 220 A N -0.472 122.281 122.820 -0.112 0.000 1.902 220 A HA -0.212 4.109 4.320 0.003 0.000 0.217 220 A C 2.088 179.506 177.584 -0.277 0.000 1.181 220 A CA 1.821 53.564 52.037 -0.490 0.000 0.623 220 A CB -0.804 17.628 19.000 -0.947 0.000 0.818 220 A HN 0.587 8.737 8.150 -0.000 0.000 0.443 221 N N 0.345 119.043 118.700 -0.005 0.000 2.166 221 N HA -0.173 4.568 4.740 0.003 0.000 0.186 221 N C 1.771 177.482 175.510 0.335 0.000 1.019 221 N CA 1.685 54.880 53.050 0.242 0.000 0.856 221 N CB -0.445 38.110 38.487 0.114 0.000 0.993 221 N HN 0.855 9.235 8.380 -0.000 0.000 0.426 222 E N 0.849 121.174 120.200 0.207 0.000 2.106 222 E HA -0.108 4.244 4.350 0.003 0.000 0.192 222 E C 1.797 178.508 176.600 0.185 0.000 0.984 222 E CA 0.706 57.227 56.400 0.201 0.000 0.806 222 E CB -0.202 29.584 29.700 0.144 0.000 0.750 222 E HN 0.236 8.597 8.360 -0.000 0.000 0.458 223 R N 0.494 121.088 120.500 0.157 0.000 2.075 223 R HA -0.044 4.298 4.340 0.003 0.000 0.232 223 R C 2.451 178.893 176.300 0.236 0.000 1.126 223 R CA 1.956 58.164 56.100 0.179 0.000 0.963 223 R CB -0.375 30.033 30.300 0.180 0.000 0.858 223 R HN 0.207 8.477 8.270 -0.000 0.000 0.435 224 T N 1.534 116.249 114.554 0.267 0.000 2.684 224 T HA -0.114 4.237 4.350 0.003 0.000 0.267 224 T C 1.817 176.672 174.700 0.259 0.000 1.036 224 T CA 1.162 63.441 62.100 0.298 0.000 1.148 224 T CB -0.137 68.990 68.868 0.432 0.000 0.863 224 T HN 0.132 8.372 8.240 -0.000 0.000 0.436 225 L N 0.716 122.076 121.223 0.229 0.000 2.093 225 L HA -0.080 4.261 4.340 0.003 0.000 0.208 225 L C 2.443 179.417 176.870 0.172 0.000 1.085 225 L CA 1.037 55.959 54.840 0.136 0.000 0.755 225 L CB -0.536 41.608 42.059 0.143 0.000 0.904 225 L HN 0.148 8.378 8.230 -0.000 0.000 0.435 226 D N -0.266 120.251 120.400 0.195 0.000 2.178 226 D HA -0.199 4.443 4.640 0.003 0.000 0.202 226 D C 1.885 178.312 176.300 0.212 0.000 0.974 226 D CA 1.139 55.246 54.000 0.180 0.000 0.841 226 D CB -0.071 40.831 40.800 0.170 0.000 0.953 226 D HN 0.228 8.598 8.370 -0.000 0.000 0.478 227 F N 0.842 120.833 119.950 0.068 0.000 2.259 227 F HA 0.021 4.550 4.527 0.003 0.000 0.298 227 F C 1.929 177.747 175.800 0.030 0.000 1.088 227 F CA 0.839 58.866 58.000 0.046 0.000 1.358 227 F CB 0.007 39.026 39.000 0.031 0.000 1.040 227 F HN -0.134 8.166 8.300 -0.000 0.000 0.505 228 L N -0.507 120.785 121.223 0.115 0.000 2.375 228 L HA 0.078 4.420 4.340 0.003 0.000 0.215 228 L C 2.639 179.569 176.870 0.100 0.000 1.108 228 L CA 0.638 55.472 54.840 -0.011 0.000 0.830 228 L CB -0.956 41.017 42.059 -0.144 0.000 0.959 228 L HN 0.169 8.399 8.230 -0.000 0.000 0.457 229 A N 1.174 124.075 122.820 0.135 0.000 1.948 229 A HA -0.134 4.188 4.320 0.003 0.000 0.220 229 A C -0.156 177.456 177.584 0.046 0.000 1.177 229 A CA 1.539 53.655 52.037 0.131 0.000 0.636 229 A CB -1.617 17.440 19.000 0.096 0.000 0.815 229 A HN 0.270 8.420 8.150 -0.000 0.000 0.449 230 P HA -0.108 4.312 4.420 -0.000 0.000 0.221 230 P C 1.090 178.375 177.300 -0.025 0.000 1.145 230 P CA 0.706 63.789 63.100 -0.029 0.000 0.795 230 P CB -0.141 31.518 31.700 -0.069 0.000 0.775 231 L N -1.694 119.526 121.223 -0.005 0.000 2.465 231 L HA -0.082 4.260 4.340 0.003 0.000 0.224 231 L C 1.238 178.111 176.870 0.005 0.000 1.145 231 L CA 0.622 55.468 54.840 0.012 0.000 0.834 231 L CB -0.787 41.311 42.059 0.064 0.000 0.944 231 L HN 0.109 8.339 8.230 -0.000 0.000 0.451 232 Q N -0.099 119.690 119.800 -0.019 0.000 2.373 232 Q HA 0.133 4.475 4.340 0.003 0.000 0.255 232 Q C 0.365 176.332 176.000 -0.056 0.000 0.980 232 Q CA -0.292 55.462 55.803 -0.080 0.000 0.882 232 Q CB 1.126 29.790 28.738 -0.122 0.000 1.249 232 Q HN 0.174 8.444 8.270 -0.000 0.000 0.438 233 S N 0.000 115.662 115.700 -0.063 0.000 2.498 233 S HA 0.000 4.472 4.470 0.003 0.000 0.327 233 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 233 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 233 S HN 0.000 8.310 8.310 -0.000 0.000 0.517