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 2aeb_1_A DATA FIRST_RESID 5 DATA SEQUENCE SRTIGIIGAP FSKGQPRGGV EEGPTVLRKA GLLEKLKEQE CDVKDYGDLP DATA SEQUENCE FADIPNDSPF QIVKNPRSVG KASEQLAGKV AEVKKNGRIS LVLGGDHSLA DATA SEQUENCE IGSISGHARV HPDLGVIWVD AHTDINTPLT TTSGNLHGQP VSFLLKELKG DATA SEQUENCE KIPDVPGFSW VTPCISAKDI VYIGLRDVDP GEHYILKTLG IKYFSMTEVD DATA SEQUENCE RLGIGKVMEE TLSYLLGRKK RPIHLSFDVD GLDPSFTPAT GTPVVGGLTY DATA SEQUENCE REGLYITEEI YKTGLLSGLD IMEVNPSLGK TPEEVTRTVN TAVAITLACF DATA SEQUENCE GLAREGNHKP IDYL 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 5 S HA 0.000 4.502 4.470 0.054 0.000 0.327 5 S C 0.000 174.638 174.600 0.063 0.000 1.055 5 S CA 0.000 58.228 58.200 0.047 0.000 1.107 5 S CB 0.000 63.222 63.200 0.036 0.000 0.593 6 R N 2.856 123.407 120.500 0.085 0.000 2.607 6 R HA 0.327 4.733 4.340 0.109 0.000 0.278 6 R C -1.102 175.238 176.300 0.067 0.000 1.637 6 R CA -0.340 55.831 56.100 0.118 0.000 1.325 6 R CB 1.833 32.268 30.300 0.225 0.000 1.211 6 R HN 0.410 8.725 8.270 0.075 0.000 0.565 7 T N 5.093 119.670 114.554 0.038 0.000 2.916 7 T HA 0.382 4.957 4.350 -0.022 -0.239 0.303 7 T C -0.338 174.355 174.700 -0.011 0.000 1.025 7 T CA 0.829 62.932 62.100 0.005 0.000 1.142 7 T CB 0.612 69.495 68.868 0.026 0.000 0.947 7 T HN 0.064 8.334 8.240 0.050 0.000 0.544 8 I N 4.027 124.552 120.570 -0.075 0.000 2.689 8 I HA 0.519 4.802 4.170 -0.082 -0.162 0.299 8 I C -1.454 174.651 176.117 -0.019 0.000 1.059 8 I CA -1.760 59.463 61.300 -0.128 0.000 1.055 8 I CB 4.227 41.981 38.000 -0.411 0.000 1.243 8 I HN 0.662 8.827 8.210 -0.075 0.000 0.425 9 G N 3.493 112.309 108.800 0.026 0.000 2.675 9 G HA2 0.585 4.963 3.960 0.318 0.000 0.297 9 G HA3 0.585 4.649 3.960 0.173 0.000 0.297 9 G C -1.943 173.002 174.900 0.075 0.000 1.399 9 G CA -1.068 44.140 45.100 0.179 0.000 0.981 9 G HN 0.549 8.830 8.290 -0.016 0.000 0.519 10 I N 6.655 127.301 120.570 0.127 0.000 2.441 10 I HA 0.315 4.665 4.170 0.023 -0.166 0.287 10 I C -1.157 175.019 176.117 0.100 0.000 1.049 10 I CA -2.655 58.684 61.300 0.065 0.000 1.381 10 I CB 0.017 38.035 38.000 0.031 0.000 1.409 10 I HN 0.277 8.591 8.210 0.172 0.000 0.523 11 I N 6.917 127.514 120.570 0.045 0.000 2.439 11 I HA 0.362 4.687 4.170 0.065 -0.116 0.283 11 I C -0.986 175.164 176.117 0.054 0.000 1.023 11 I CA -1.238 60.087 61.300 0.042 0.000 1.100 11 I CB 2.684 40.683 38.000 -0.002 0.000 1.238 11 I HN 0.515 8.743 8.210 0.030 0.000 0.445 12 G N 5.636 114.468 108.800 0.053 0.000 2.370 12 G HA2 0.337 4.344 3.960 0.078 0.000 0.272 12 G HA3 0.337 4.615 3.960 0.059 -0.283 0.272 12 G C -2.297 172.670 174.900 0.111 0.000 1.208 12 G CA -1.072 44.070 45.100 0.071 0.000 0.856 12 G HN 0.630 8.948 8.290 0.046 0.000 0.500 13 A N 3.451 126.389 122.820 0.197 0.000 3.105 13 A HA 0.538 5.162 4.320 0.506 0.000 0.336 13 A C -2.577 175.270 177.584 0.437 0.000 1.042 13 A CA -2.923 49.354 52.037 0.400 0.000 0.851 13 A CB 0.783 19.993 19.000 0.350 0.000 1.068 13 A HN 0.273 8.524 8.150 0.168 0.000 0.477 14 P HA 0.056 4.611 4.420 0.225 0.000 0.237 14 P C -2.216 175.312 177.300 0.380 0.000 1.788 14 P CA -0.399 62.892 63.100 0.318 0.000 1.061 14 P CB -1.847 29.994 31.700 0.234 0.000 1.967 15 F N 4.632 124.623 119.950 0.068 0.000 2.556 15 F HA 0.267 4.727 4.527 -0.111 0.000 0.314 15 F C -1.962 173.789 175.800 -0.083 0.000 1.106 15 F CA -1.028 56.889 58.000 -0.137 0.000 0.911 15 F CB 3.821 42.481 39.000 -0.567 0.000 1.190 15 F HN -0.490 7.951 8.300 0.281 0.027 0.448 16 S N 4.957 120.124 115.700 -0.888 0.000 2.728 16 S HA 0.223 4.562 4.470 -0.337 -0.071 0.257 16 S C 0.575 174.779 174.600 -0.660 0.000 1.060 16 S CA 0.505 58.374 58.200 -0.551 0.000 1.126 16 S CB 1.468 64.489 63.200 -0.298 0.000 1.099 16 S HN 0.459 7.977 8.310 -1.319 0.000 0.617 17 K N 2.731 122.416 120.400 -1.193 0.000 2.525 17 K HA 0.020 4.112 4.320 -0.379 0.000 0.192 17 K C 1.420 177.916 176.600 -0.173 0.000 1.029 17 K CA 1.157 57.116 56.287 -0.546 0.000 1.029 17 K CB -0.861 31.395 32.500 -0.405 0.000 0.814 17 K HN -0.068 6.796 8.250 -2.310 0.000 0.503 18 G N -1.931 106.824 108.800 -0.075 0.000 2.679 18 G HA2 -0.154 3.893 3.960 0.144 0.000 0.212 18 G HA3 -0.154 4.157 3.960 0.162 -0.253 0.212 18 G C -1.461 173.352 174.900 -0.144 0.000 1.137 18 G CA 0.583 45.720 45.100 0.063 0.000 0.787 18 G HN -0.140 8.263 8.290 -0.158 -0.208 0.534 19 Q N -3.605 116.026 119.800 -0.282 0.000 2.738 19 Q HA 0.371 4.494 4.340 -0.361 0.000 0.301 19 Q C -2.841 173.018 176.000 -0.235 0.000 0.901 19 Q CA -1.645 53.905 55.803 -0.422 0.000 0.756 19 Q CB -0.952 27.205 28.738 -0.968 0.000 1.463 19 Q HN -0.644 7.400 8.270 -0.244 0.079 0.432 20 P HA 0.003 4.366 4.420 -0.095 0.000 0.227 20 P C -0.752 176.492 177.300 -0.093 0.000 1.161 20 P CA 0.563 63.601 63.100 -0.103 0.000 0.788 20 P CB 0.482 32.145 31.700 -0.062 0.000 0.822 21 R N -0.154 120.290 120.500 -0.092 0.000 2.221 21 R HA 0.121 4.431 4.340 -0.050 0.000 0.327 21 R C 1.411 177.667 176.300 -0.073 0.000 1.033 21 R CA -0.514 55.549 56.100 -0.062 0.000 0.887 21 R CB 0.331 30.609 30.300 -0.035 0.000 1.057 21 R HN -0.820 7.567 8.270 -0.110 -0.182 0.455 22 G N 4.160 112.923 108.800 -0.062 0.000 2.572 22 G HA2 -0.118 3.780 3.960 -0.104 0.000 0.216 22 G HA3 -0.118 3.806 3.960 -0.060 0.000 0.216 22 G C 0.492 175.363 174.900 -0.047 0.000 1.133 22 G CA 0.876 45.934 45.100 -0.070 0.000 0.791 22 G HN 0.577 8.838 8.290 -0.049 0.000 0.538 23 G N 0.752 109.537 108.800 -0.025 0.000 2.509 23 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.218 23 G HA3 -0.159 3.933 3.960 0.000 -0.131 0.218 23 G C 1.433 176.335 174.900 0.005 0.000 1.124 23 G CA 1.287 46.384 45.100 -0.005 0.000 0.776 23 G HN 0.297 8.517 8.290 -0.026 0.054 0.547 24 V N -1.451 118.461 119.914 -0.004 0.000 2.867 24 V HA -0.196 4.125 4.120 0.029 -0.184 0.260 24 V C 1.191 177.301 176.094 0.027 0.000 1.099 24 V CA 1.177 63.487 62.300 0.016 0.000 1.122 24 V CB -1.527 30.307 31.823 0.019 0.000 0.708 24 V HN -0.835 7.311 8.190 -0.018 0.033 0.490 25 E N -0.163 120.044 120.200 0.012 0.000 2.267 25 E HA -0.317 4.075 4.350 0.069 0.000 0.197 25 E C 1.075 177.709 176.600 0.058 0.000 0.998 25 E CA 2.997 59.422 56.400 0.043 0.000 0.830 25 E CB -0.411 29.304 29.700 0.026 0.000 0.751 25 E HN -0.547 7.767 8.360 -0.012 0.039 0.491 26 E N -3.772 116.452 120.200 0.041 0.000 2.481 26 E HA 0.002 4.378 4.350 0.043 0.000 0.195 26 E C 1.668 178.295 176.600 0.044 0.000 1.047 26 E CA -0.760 55.664 56.400 0.040 0.000 0.867 26 E CB -0.614 29.104 29.700 0.030 0.000 0.858 26 E HN -0.601 7.622 8.360 0.032 0.157 0.513 27 G N 0.717 109.548 108.800 0.051 0.000 2.529 27 G HA2 -0.240 3.747 3.960 0.044 0.000 0.219 27 G HA3 -0.240 3.949 3.960 0.056 -0.195 0.219 27 G C -1.253 173.676 174.900 0.049 0.000 1.177 27 G CA 3.346 48.476 45.100 0.051 0.000 0.773 27 G HN -0.258 7.898 8.290 0.053 0.165 0.573 28 P HA -0.182 4.266 4.420 0.047 0.000 0.217 28 P C 1.723 179.046 177.300 0.038 0.000 1.150 28 P CA 2.673 65.805 63.100 0.053 0.000 0.832 28 P CB -0.273 31.470 31.700 0.071 0.000 0.787 29 T N -0.027 114.550 114.554 0.038 0.000 2.708 29 T HA -0.378 3.987 4.350 0.024 0.000 0.266 29 T C 1.595 176.309 174.700 0.023 0.000 1.037 29 T CA 5.380 67.497 62.100 0.028 0.000 1.146 29 T CB -0.360 68.525 68.868 0.029 0.000 0.865 29 T HN -0.207 8.060 8.240 0.045 0.000 0.435 30 V N 0.987 120.917 119.914 0.026 0.000 2.719 30 V HA -0.296 3.836 4.120 0.020 0.000 0.252 30 V C 1.734 177.840 176.094 0.020 0.000 1.065 30 V CA 3.463 65.777 62.300 0.023 0.000 1.086 30 V CB -0.826 31.013 31.823 0.026 0.000 0.700 30 V HN -0.217 7.992 8.190 0.030 0.000 0.467 31 L N -0.650 120.586 121.223 0.021 0.000 2.056 31 L HA -0.398 3.951 4.340 0.015 0.000 0.207 31 L C 2.025 178.901 176.870 0.010 0.000 1.078 31 L CA 3.363 58.212 54.840 0.015 0.000 0.749 31 L CB -0.680 41.388 42.059 0.015 0.000 0.901 31 L HN -0.467 7.759 8.230 0.025 0.019 0.433 32 R N -1.641 118.865 120.500 0.010 0.000 2.081 32 R HA -0.347 3.993 4.340 -0.000 0.000 0.235 32 R C 2.969 179.271 176.300 0.003 0.000 1.131 32 R CA 3.616 59.718 56.100 0.004 0.000 0.960 32 R CB -0.174 30.130 30.300 0.006 0.000 0.856 32 R HN -0.395 7.884 8.270 0.015 0.000 0.436 33 K N -2.078 118.327 120.400 0.007 0.000 2.280 33 K HA -0.211 4.111 4.320 0.004 0.000 0.202 33 K C 1.301 177.905 176.600 0.007 0.000 1.047 33 K CA 2.478 58.769 56.287 0.007 0.000 0.942 33 K CB -0.236 32.270 32.500 0.010 0.000 0.739 33 K HN -0.259 7.997 8.250 0.010 0.000 0.457 34 A N -4.059 118.766 122.820 0.008 0.000 2.208 34 A HA 0.087 4.413 4.320 0.010 0.000 0.209 34 A C -0.235 177.352 177.584 0.004 0.000 1.161 34 A CA 0.129 52.172 52.037 0.009 0.000 0.782 34 A CB 0.429 19.437 19.000 0.013 0.000 0.816 34 A HN -0.532 7.472 8.150 0.009 0.151 0.477 35 G N -3.870 104.930 108.800 -0.000 0.000 2.134 35 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.209 35 G HA3 -0.351 3.606 3.960 -0.004 0.000 0.209 35 G C 0.398 175.291 174.900 -0.011 0.000 0.993 35 G CA 0.202 45.299 45.100 -0.005 0.000 0.669 35 G HN -0.508 7.608 8.290 -0.000 0.174 0.519 36 L N 0.898 122.114 121.223 -0.012 0.000 1.990 36 L HA -0.344 3.986 4.340 -0.017 0.000 0.213 36 L C 0.524 177.373 176.870 -0.035 0.000 1.072 36 L CA 3.978 58.806 54.840 -0.019 0.000 0.755 36 L CB -0.156 41.894 42.059 -0.016 0.000 0.889 36 L HN -0.903 7.322 8.230 -0.007 0.000 0.432 37 L N -4.149 117.052 121.223 -0.037 0.000 2.056 37 L HA -0.376 3.921 4.340 -0.071 0.000 0.207 37 L C 2.366 179.207 176.870 -0.049 0.000 1.078 37 L CA 2.996 57.804 54.840 -0.053 0.000 0.749 37 L CB -1.014 41.017 42.059 -0.046 0.000 0.901 37 L HN -0.110 8.103 8.230 -0.029 0.000 0.433 38 E N -0.504 119.675 120.200 -0.034 0.000 2.077 38 E HA -0.382 3.949 4.350 -0.031 0.000 0.193 38 E C 2.287 178.870 176.600 -0.028 0.000 0.989 38 E CA 3.741 60.124 56.400 -0.029 0.000 0.800 38 E CB -0.880 28.809 29.700 -0.020 0.000 0.746 38 E HN -0.130 8.212 8.360 -0.029 0.000 0.452 39 K N -0.518 119.866 120.400 -0.026 0.000 2.097 39 K HA -0.289 4.137 4.320 -0.018 -0.117 0.206 39 K C 2.696 179.276 176.600 -0.034 0.000 1.049 39 K CA 3.116 59.389 56.287 -0.023 0.000 0.933 39 K CB -0.104 32.386 32.500 -0.017 0.000 0.717 39 K HN -0.278 7.957 8.250 -0.025 0.000 0.442 40 L N -1.700 119.492 121.223 -0.053 0.000 2.056 40 L HA -0.320 3.980 4.340 -0.067 0.000 0.207 40 L C 1.900 178.727 176.870 -0.071 0.000 1.078 40 L CA 3.008 57.799 54.840 -0.081 0.000 0.749 40 L CB -0.155 41.815 42.059 -0.149 0.000 0.901 40 L HN -0.376 7.821 8.230 -0.055 0.000 0.433 41 K N -1.564 118.800 120.400 -0.060 0.000 2.148 41 K HA -0.220 4.228 4.320 -0.052 -0.159 0.204 41 K C 2.286 178.869 176.600 -0.029 0.000 1.050 41 K CA 2.725 58.984 56.287 -0.046 0.000 0.942 41 K CB -0.202 32.273 32.500 -0.041 0.000 0.724 41 K HN -0.545 7.591 8.250 -0.059 0.078 0.446 42 E N -3.162 117.024 120.200 -0.023 0.000 2.204 42 E HA -0.191 4.156 4.350 -0.006 0.000 0.194 42 E C 0.475 177.071 176.600 -0.007 0.000 0.989 42 E CA 1.485 57.878 56.400 -0.011 0.000 0.824 42 E CB 0.141 29.836 29.700 -0.009 0.000 0.756 42 E HN -0.560 7.664 8.360 -0.027 0.120 0.477 43 Q N -2.057 117.732 119.800 -0.018 0.000 2.226 43 Q HA -0.021 4.307 4.340 -0.019 0.000 0.171 43 Q C 1.364 177.355 176.000 -0.015 0.000 1.077 43 Q CA -0.052 55.738 55.803 -0.022 0.000 1.135 43 Q CB 1.151 29.867 28.738 -0.037 0.000 1.413 43 Q HN -0.772 7.436 8.270 -0.025 0.047 0.589 44 E N -1.708 118.484 120.200 -0.013 0.000 2.526 44 E HA -0.114 4.242 4.350 0.010 0.000 0.198 44 E C -0.835 175.765 176.600 -0.000 0.000 1.091 44 E CA 0.696 57.100 56.400 0.007 0.000 0.880 44 E CB -0.969 28.752 29.700 0.034 0.000 0.873 44 E HN 0.314 8.659 8.360 -0.025 0.000 0.527 45 C N -0.159 119.125 119.300 -0.027 0.000 2.435 45 C HA 0.202 4.646 4.460 -0.027 0.000 0.333 45 C C -0.872 174.084 174.990 -0.057 0.000 1.202 45 C CA -1.396 57.592 59.018 -0.050 0.000 1.830 45 C CB 2.538 30.206 27.740 -0.121 0.000 2.326 45 C HN -0.721 7.442 8.230 -0.033 0.046 0.507 46 D N 4.601 124.969 120.400 -0.053 0.000 2.467 46 D HA 0.230 4.844 4.640 -0.043 0.000 0.220 46 D C -1.700 174.559 176.300 -0.068 0.000 1.103 46 D CA 0.054 54.027 54.000 -0.045 0.000 0.886 46 D CB 0.320 41.108 40.800 -0.020 0.000 1.025 46 D HN 0.324 8.666 8.370 -0.047 0.000 0.514 47 V N 3.411 123.278 119.914 -0.079 0.000 2.370 47 V HA 0.277 4.491 4.120 -0.100 -0.154 0.283 47 V C -0.313 175.742 176.094 -0.064 0.000 1.023 47 V CA -1.674 60.573 62.300 -0.089 0.000 0.857 47 V CB 0.661 32.418 31.823 -0.109 0.000 0.985 47 V HN 0.199 8.346 8.190 -0.071 0.000 0.443 48 K N 7.883 128.260 120.400 -0.038 0.000 2.358 48 K HA 0.294 4.547 4.320 -0.112 0.000 0.260 48 K C -1.847 174.728 176.600 -0.042 0.000 0.956 48 K CA -2.697 53.539 56.287 -0.084 0.000 0.834 48 K CB 1.539 33.967 32.500 -0.119 0.000 1.102 48 K HN 0.399 8.643 8.250 -0.011 0.000 0.431 49 D N 4.294 124.638 120.400 -0.093 0.000 2.316 49 D HA 0.128 4.797 4.640 0.049 0.000 0.245 49 D C -0.031 176.212 176.300 -0.095 0.000 1.171 49 D CA -0.003 53.978 54.000 -0.033 0.000 0.856 49 D CB 0.132 40.908 40.800 -0.040 0.000 1.090 49 D HN 0.483 8.783 8.370 -0.117 0.000 0.476 50 Y N 5.048 125.325 120.300 -0.039 0.000 2.466 50 Y HA 0.008 4.535 4.550 -0.039 0.000 0.272 50 Y C -0.011 175.862 175.900 -0.045 0.000 1.169 50 Y CA -0.499 57.578 58.100 -0.039 0.000 1.285 50 Y CB 0.118 38.557 38.460 -0.036 0.000 1.078 50 Y HN 0.025 8.497 8.280 0.321 0.000 0.523 51 G N -0.621 108.221 108.800 0.069 0.000 2.741 51 G HA2 -0.349 3.662 3.960 0.007 0.000 0.222 51 G HA3 -0.349 3.612 3.960 0.001 0.000 0.222 51 G C -2.311 172.598 174.900 0.014 0.000 1.364 51 G CA -0.582 44.529 45.100 0.019 0.000 0.866 51 G HN -0.319 8.234 8.290 0.066 -0.223 0.555 52 D N 0.403 120.794 120.400 -0.016 0.000 2.232 52 D HA 0.195 4.987 4.640 -0.014 -0.161 0.242 52 D C 0.876 177.103 176.300 -0.122 0.000 1.093 52 D CA -0.558 53.421 54.000 -0.034 0.000 0.845 52 D CB 0.614 41.409 40.800 -0.009 0.000 1.124 52 D HN -0.043 8.315 8.370 -0.020 0.000 0.467 53 L N 4.060 125.147 121.223 -0.226 0.000 2.455 53 L HA 0.214 4.339 4.340 -0.357 0.000 0.272 53 L C -1.471 175.016 176.870 -0.639 0.000 1.174 53 L CA -1.500 53.043 54.840 -0.495 0.000 0.869 53 L CB -0.524 41.044 42.059 -0.818 0.000 1.130 53 L HN -0.002 8.128 8.230 -0.166 0.000 0.474 54 P HA 0.063 4.356 4.420 -0.212 0.000 0.288 54 P C -1.754 175.345 177.300 -0.335 0.000 1.363 54 P CA -0.761 62.158 63.100 -0.302 0.000 0.837 54 P CB -0.022 31.585 31.700 -0.155 0.000 0.981 55 F N 5.252 125.223 119.950 0.035 0.000 2.404 55 F HA 0.017 4.539 4.527 -0.008 0.000 0.358 55 F C 0.417 176.248 175.800 0.050 0.000 1.120 55 F CA -0.818 57.207 58.000 0.041 0.000 1.144 55 F CB 0.584 39.667 39.000 0.138 0.000 1.133 55 F HN -0.089 8.193 8.300 -0.030 0.000 0.495 56 A N 6.006 128.934 122.820 0.181 0.000 2.302 56 A HA 0.090 4.475 4.320 0.108 0.000 0.285 56 A C -0.796 176.865 177.584 0.129 0.000 1.105 56 A CA -0.601 51.506 52.037 0.115 0.000 0.816 56 A CB 0.885 19.919 19.000 0.057 0.000 1.067 56 A HN 0.137 8.384 8.150 0.161 0.000 0.489 57 D N -1.031 119.427 120.400 0.097 0.000 2.424 57 D HA -0.015 4.686 4.640 0.102 0.000 0.244 57 D C -0.632 175.708 176.300 0.067 0.000 1.134 57 D CA 0.526 54.576 54.000 0.084 0.000 0.881 57 D CB 0.621 41.457 40.800 0.059 0.000 1.191 57 D HN 0.082 8.502 8.370 0.083 0.000 0.445 58 I N 6.525 127.136 120.570 0.068 0.000 2.428 58 I HA 0.217 4.414 4.170 0.045 0.000 0.279 58 I C -1.478 174.667 176.117 0.046 0.000 1.040 58 I CA -2.688 58.643 61.300 0.053 0.000 1.171 58 I CB 0.568 38.600 38.000 0.053 0.000 1.312 58 I HN 0.299 8.556 8.210 0.078 0.000 0.470 59 P HA -0.078 4.361 4.420 0.032 0.000 0.217 59 P C -0.467 176.854 177.300 0.035 0.000 1.150 59 P CA 0.732 63.852 63.100 0.033 0.000 0.832 59 P CB 0.459 32.175 31.700 0.028 0.000 0.787 60 N N 0.266 118.988 118.700 0.037 0.000 2.521 60 N HA -0.062 4.701 4.740 0.039 0.000 0.236 60 N C -1.390 174.150 175.510 0.050 0.000 1.067 60 N CA 0.230 53.305 53.050 0.040 0.000 0.939 60 N CB -0.048 38.462 38.487 0.037 0.000 1.201 60 N HN -0.206 8.196 8.380 0.035 0.000 0.511 61 D N 2.725 123.159 120.400 0.056 0.000 2.978 61 D HA 0.067 4.753 4.640 0.077 0.000 0.268 61 D C -1.008 175.340 176.300 0.080 0.000 1.252 61 D CA -0.470 53.573 54.000 0.072 0.000 0.771 61 D CB 0.796 41.639 40.800 0.071 0.000 1.361 61 D HN -0.031 8.370 8.370 0.051 0.000 0.558 62 S N 1.905 117.653 115.700 0.081 0.000 2.592 62 S HA 0.206 4.716 4.470 0.068 0.000 0.271 62 S C -1.408 173.258 174.600 0.112 0.000 1.326 62 S CA -0.976 57.272 58.200 0.080 0.000 1.024 62 S CB 0.013 63.253 63.200 0.067 0.000 0.921 62 S HN -0.188 8.170 8.310 0.079 0.000 0.527 63 P HA -0.004 4.666 4.420 0.157 -0.156 0.266 63 P C -1.131 176.271 177.300 0.170 0.000 1.193 63 P CA 0.556 63.733 63.100 0.128 0.000 0.770 63 P CB 0.442 32.186 31.700 0.073 0.000 0.836 64 F N 5.454 125.449 119.950 0.076 0.000 2.334 64 F HA 0.170 4.735 4.527 0.064 0.000 0.367 64 F C -0.969 174.864 175.800 0.055 0.000 1.115 64 F CA -1.210 56.833 58.000 0.073 0.000 1.116 64 F CB 1.541 40.603 39.000 0.103 0.000 1.230 64 F HN -0.025 8.480 8.300 0.342 0.000 0.484 65 Q N 6.552 126.049 119.800 -0.505 0.000 2.015 65 Q HA -0.534 3.631 4.340 -0.292 0.000 0.393 65 Q C -0.597 175.320 176.000 -0.139 0.000 0.701 65 Q CA 2.125 57.703 55.803 -0.375 0.000 0.921 65 Q CB -1.753 26.659 28.738 -0.543 0.000 2.909 65 Q HN 0.544 8.545 8.270 -0.449 0.000 0.814 66 I N 0.576 121.094 120.570 -0.086 0.000 2.761 66 I HA -0.111 4.053 4.170 -0.010 0.000 0.261 66 I C 0.213 176.367 176.117 0.061 0.000 1.198 66 I CA 0.917 62.213 61.300 -0.006 0.000 1.482 66 I CB 1.022 39.023 38.000 0.000 0.000 1.100 66 I HN 0.120 8.256 8.210 -0.123 0.000 0.445 67 V N 2.592 122.581 119.914 0.125 0.000 2.470 67 V HA -0.176 4.185 4.120 0.167 -0.141 0.276 67 V C -1.113 175.098 176.094 0.196 0.000 1.040 67 V CA 0.017 62.440 62.300 0.205 0.000 1.008 67 V CB -0.973 31.060 31.823 0.350 0.000 0.990 67 V HN -0.163 8.034 8.190 0.111 0.060 0.477 68 K N 8.507 129.000 120.400 0.156 0.000 2.123 68 K HA 0.182 4.577 4.320 0.124 0.000 0.259 68 K C -0.648 176.038 176.600 0.144 0.000 0.960 68 K CA -0.562 55.800 56.287 0.126 0.000 0.872 68 K CB 1.138 33.683 32.500 0.076 0.000 1.079 68 K HN 0.111 8.449 8.250 0.148 0.000 0.440 69 N N -1.974 116.801 118.700 0.125 0.000 2.714 69 N HA -0.316 4.598 4.740 0.110 -0.108 0.252 69 N C -1.193 174.423 175.510 0.177 0.000 1.014 69 N CA 0.772 53.897 53.050 0.125 0.000 0.735 69 N CB -2.487 36.055 38.487 0.091 0.000 0.924 69 N HN 0.681 9.127 8.380 0.110 0.000 0.540 70 P HA -0.217 4.445 4.420 0.403 0.000 0.216 70 P C 1.392 178.776 177.300 0.141 0.000 1.153 70 P CA 2.826 66.105 63.100 0.298 0.000 0.848 70 P CB 0.228 32.119 31.700 0.319 0.000 0.787 71 R N -2.352 118.196 120.500 0.080 0.000 2.092 71 R HA -0.265 4.032 4.340 -0.072 0.000 0.231 71 R C 2.734 179.015 176.300 -0.032 0.000 1.119 71 R CA 3.516 59.611 56.100 -0.010 0.000 0.970 71 R CB -0.362 29.955 30.300 0.028 0.000 0.864 71 R HN -0.195 8.429 8.270 0.111 -0.288 0.440 72 S N 0.505 116.238 115.700 0.055 0.000 2.356 72 S HA -0.261 4.259 4.470 0.082 0.000 0.223 72 S C 1.563 176.210 174.600 0.079 0.000 1.032 72 S CA 4.290 62.562 58.200 0.119 0.000 1.005 72 S CB -0.350 62.981 63.200 0.219 0.000 0.867 72 S HN -0.318 8.337 8.310 0.085 -0.294 0.449 73 V N 1.474 121.473 119.914 0.142 0.000 2.427 73 V HA -0.328 3.829 4.120 0.061 0.000 0.248 73 V C 2.044 177.975 176.094 -0.273 0.000 1.051 73 V CA 3.413 65.755 62.300 0.070 0.000 1.048 73 V CB -0.865 31.137 31.823 0.298 0.000 0.666 73 V HN -0.403 7.887 8.190 0.166 0.000 0.456 74 G N -0.944 107.505 108.800 -0.584 0.000 2.418 74 G HA2 -0.371 2.862 3.960 -1.212 0.000 0.217 74 G HA3 -0.371 2.974 3.960 -1.296 -0.163 0.217 74 G C 0.808 175.510 174.900 -0.331 0.000 1.158 74 G CA 2.217 46.750 45.100 -0.945 0.000 0.771 74 G HN 0.233 8.236 8.290 -0.480 0.000 0.545 75 K N 2.719 122.940 120.400 -0.298 0.000 2.103 75 K HA -0.122 4.023 4.320 -0.291 0.000 0.204 75 K C 1.896 178.328 176.600 -0.279 0.000 1.052 75 K CA 1.769 57.904 56.287 -0.254 0.000 0.945 75 K CB -0.278 32.135 32.500 -0.145 0.000 0.722 75 K HN -0.436 7.644 8.250 -0.284 0.000 0.443 76 A N -0.918 121.657 122.820 -0.407 0.000 1.902 76 A HA -0.164 4.035 4.320 -0.201 0.000 0.217 76 A C 2.365 179.750 177.584 -0.332 0.000 1.181 76 A CA 3.052 54.737 52.037 -0.586 0.000 0.623 76 A CB -0.864 17.006 19.000 -1.884 0.000 0.818 76 A HN -0.305 7.573 8.150 -0.452 0.000 0.443 77 S N -1.644 113.886 115.700 -0.284 0.000 2.387 77 S HA -0.325 4.123 4.470 -0.036 0.000 0.226 77 S C 1.765 176.221 174.600 -0.240 0.000 1.026 77 S CA 4.528 62.701 58.200 -0.044 0.000 0.972 77 S CB -0.190 63.149 63.200 0.231 0.000 0.814 77 S HN -0.483 7.633 8.310 -0.323 0.000 0.477 78 E N 2.161 121.957 120.200 -0.673 0.000 2.058 78 E HA -0.441 2.478 4.350 -2.384 0.000 0.194 78 E C 1.931 178.131 176.600 -0.667 0.000 0.997 78 E CA 3.215 58.758 56.400 -1.429 0.000 0.801 78 E CB -0.195 28.600 29.700 -1.508 0.000 0.746 78 E HN -0.453 7.620 8.360 -0.479 0.000 0.450 79 Q N -0.767 118.813 119.800 -0.366 0.000 2.020 79 Q HA -0.307 3.907 4.340 -0.211 0.000 0.202 79 Q C 2.713 178.641 176.000 -0.118 0.000 0.982 79 Q CA 3.018 58.709 55.803 -0.188 0.000 0.838 79 Q CB 0.101 28.804 28.738 -0.058 0.000 0.899 79 Q HN -0.522 7.540 8.270 -0.346 0.000 0.423 80 L N -1.048 120.153 121.223 -0.036 0.000 2.079 80 L HA -0.348 4.003 4.340 0.019 0.000 0.210 80 L C 1.418 178.278 176.870 -0.016 0.000 1.081 80 L CA 2.796 57.647 54.840 0.017 0.000 0.752 80 L CB -0.543 41.573 42.059 0.095 0.000 0.896 80 L HN -0.303 7.917 8.230 -0.016 0.000 0.433 81 A N -1.535 121.254 122.820 -0.053 0.000 1.908 81 A HA -0.223 4.295 4.320 0.070 -0.156 0.218 81 A C 2.279 179.842 177.584 -0.034 0.000 1.181 81 A CA 3.093 55.129 52.037 -0.002 0.000 0.627 81 A CB -0.842 18.161 19.000 0.005 0.000 0.818 81 A HN 0.200 8.282 8.150 -0.115 0.000 0.445 82 G N -2.475 106.262 108.800 -0.104 0.000 2.418 82 G HA2 -0.402 3.520 3.960 -0.063 0.000 0.217 82 G HA3 -0.402 3.495 3.960 -0.104 0.000 0.217 82 G C 1.212 176.073 174.900 -0.064 0.000 1.158 82 G CA 1.874 46.925 45.100 -0.082 0.000 0.771 82 G HN -0.368 7.826 8.290 -0.160 0.000 0.545 83 K N 2.243 122.599 120.400 -0.074 0.000 2.057 83 K HA -0.207 4.059 4.320 -0.089 0.000 0.206 83 K C 2.203 178.723 176.600 -0.133 0.000 1.050 83 K CA 2.161 58.391 56.287 -0.094 0.000 0.935 83 K CB -0.142 32.306 32.500 -0.087 0.000 0.715 83 K HN -0.694 7.395 8.250 -0.075 0.115 0.439 84 V N -0.538 119.330 119.914 -0.078 0.000 2.343 84 V HA -0.489 3.557 4.120 -0.124 0.000 0.247 84 V C 1.633 177.703 176.094 -0.040 0.000 1.051 84 V CA 4.144 66.405 62.300 -0.064 0.000 1.036 84 V CB -0.712 31.126 31.823 0.026 0.000 0.654 84 V HN -0.163 7.999 8.190 -0.046 0.000 0.451 85 A N -0.559 122.259 122.820 -0.004 0.000 1.933 85 A HA -0.292 4.058 4.320 0.049 0.000 0.218 85 A C 1.836 179.410 177.584 -0.017 0.000 1.175 85 A CA 3.052 55.098 52.037 0.016 0.000 0.628 85 A CB -0.687 18.326 19.000 0.023 0.000 0.814 85 A HN -0.212 7.937 8.150 -0.003 0.000 0.444 86 E N -0.802 119.369 120.200 -0.048 0.000 2.023 86 E HA -0.336 4.006 4.350 -0.013 0.000 0.196 86 E C 2.116 178.669 176.600 -0.079 0.000 1.003 86 E CA 3.150 59.522 56.400 -0.047 0.000 0.809 86 E CB 0.107 29.781 29.700 -0.043 0.000 0.755 86 E HN -0.629 7.698 8.360 -0.055 0.000 0.449 87 V N -1.302 118.472 119.914 -0.234 0.000 2.515 87 V HA -0.251 3.753 4.120 -0.194 0.000 0.250 87 V C 1.669 177.720 176.094 -0.071 0.000 1.058 87 V CA 3.220 65.348 62.300 -0.287 0.000 1.064 87 V CB -0.532 30.880 31.823 -0.686 0.000 0.675 87 V HN -0.512 7.510 8.190 -0.279 0.000 0.461 88 K N 0.267 120.653 120.400 -0.024 0.000 2.057 88 K HA -0.161 4.223 4.320 0.107 0.000 0.207 88 K C 3.369 180.019 176.600 0.082 0.000 1.049 88 K CA 2.034 58.372 56.287 0.084 0.000 0.931 88 K CB -0.923 31.672 32.500 0.159 0.000 0.714 88 K HN -0.232 7.989 8.250 -0.049 0.000 0.440 89 K N -0.894 119.527 120.400 0.035 0.000 2.209 89 K HA -0.231 4.102 4.320 0.022 0.000 0.204 89 K C 1.476 178.106 176.600 0.051 0.000 1.048 89 K CA 2.539 58.844 56.287 0.030 0.000 0.940 89 K CB -0.282 32.227 32.500 0.015 0.000 0.729 89 K HN -0.172 8.004 8.250 0.017 0.083 0.451 90 N N -3.913 114.825 118.700 0.065 0.000 2.383 90 N HA 0.079 4.864 4.740 0.075 0.000 0.192 90 N C -0.209 175.353 175.510 0.086 0.000 1.141 90 N CA -0.069 53.033 53.050 0.087 0.000 0.851 90 N CB -0.070 38.505 38.487 0.146 0.000 0.976 90 N HN -0.647 7.606 8.380 0.054 0.160 0.465 91 G N -0.593 108.259 108.800 0.087 0.000 2.221 91 G HA2 -0.449 3.582 3.960 0.117 0.000 0.265 91 G HA3 -0.449 3.561 3.960 0.083 0.000 0.265 91 G C -0.922 174.028 174.900 0.084 0.000 1.041 91 G CA 0.787 45.944 45.100 0.094 0.000 0.807 91 G HN -0.259 7.877 8.290 0.089 0.208 0.502 92 R N -2.457 118.090 120.500 0.078 0.000 2.854 92 R HA 0.272 4.743 4.340 0.062 -0.093 0.271 92 R C -0.357 175.966 176.300 0.039 0.000 0.996 92 R CA -2.230 53.907 56.100 0.061 0.000 0.961 92 R CB 3.073 33.419 30.300 0.076 0.000 1.182 92 R HN -0.774 7.542 8.270 0.077 0.000 0.479 93 I N 3.304 123.903 120.570 0.048 0.000 2.452 93 I HA 0.086 4.432 4.170 0.007 -0.172 0.287 93 I C -0.393 175.726 176.117 0.003 0.000 1.079 93 I CA 0.436 61.765 61.300 0.049 0.000 1.387 93 I CB 0.499 38.617 38.000 0.197 0.000 1.404 93 I HN 0.249 8.495 8.210 0.059 0.000 0.522 94 S N 7.469 123.126 115.700 -0.072 0.000 2.505 94 S HA 0.232 4.807 4.470 -0.094 -0.161 0.276 94 S C -0.933 173.649 174.600 -0.030 0.000 1.274 94 S CA -0.523 57.625 58.200 -0.087 0.000 1.053 94 S CB 0.828 63.953 63.200 -0.125 0.000 0.919 94 S HN 0.045 8.282 8.310 -0.122 0.000 0.490 95 L N 6.450 127.671 121.223 -0.005 0.000 2.353 95 L HA 0.531 5.059 4.340 0.049 -0.159 0.270 95 L C -2.154 174.730 176.870 0.023 0.000 1.003 95 L CA -1.222 53.642 54.840 0.039 0.000 0.862 95 L CB 2.460 44.557 42.059 0.063 0.000 1.221 95 L HN 0.417 8.632 8.230 -0.026 0.000 0.430 96 V N 6.952 126.883 119.914 0.028 0.000 2.364 96 V HA 0.332 4.671 4.120 0.050 -0.189 0.272 96 V C -1.138 174.988 176.094 0.053 0.000 1.036 96 V CA -1.356 60.975 62.300 0.051 0.000 0.880 96 V CB 0.355 32.226 31.823 0.080 0.000 0.991 96 V HN 0.781 8.982 8.190 0.019 0.000 0.460 97 L N 7.588 128.847 121.223 0.060 0.000 2.268 97 L HA 0.322 4.688 4.340 0.042 0.000 0.289 97 L C -0.311 176.611 176.870 0.085 0.000 1.064 97 L CA -0.940 53.934 54.840 0.058 0.000 0.824 97 L CB -0.808 41.281 42.059 0.049 0.000 1.202 97 L HN 0.142 8.409 8.230 0.063 0.000 0.433 98 G N 1.298 110.144 108.800 0.078 0.000 2.557 98 G HA2 0.539 4.730 3.960 0.143 0.000 0.292 98 G HA3 0.539 4.556 3.960 0.096 0.000 0.292 98 G C -1.154 173.804 174.900 0.096 0.000 1.237 98 G CA -1.401 43.763 45.100 0.106 0.000 0.978 98 G HN 0.367 8.690 8.290 0.055 0.000 0.498 99 G N -1.019 107.845 108.800 0.107 0.000 2.733 99 G HA2 -0.453 3.787 3.960 0.126 0.000 0.686 99 G HA3 -0.453 3.742 3.960 0.177 -0.129 0.686 99 G C -1.763 173.215 174.900 0.129 0.000 1.373 99 G CA -0.639 44.543 45.100 0.137 0.000 0.838 99 G HN -0.454 7.890 8.290 0.091 0.000 0.588 100 D N 0.038 120.533 120.400 0.157 0.000 2.354 100 D HA 0.094 4.922 4.640 0.186 -0.077 0.247 100 D C 0.325 176.805 176.300 0.299 0.000 1.138 100 D CA -1.498 52.623 54.000 0.202 0.000 0.958 100 D CB 1.347 42.230 40.800 0.139 0.000 1.144 100 D HN -0.319 8.147 8.370 0.161 0.000 0.458 101 H N -0.361 118.865 119.070 0.260 0.000 2.559 101 H HA -0.218 4.444 4.556 0.177 0.000 0.273 101 H C 1.677 177.175 175.328 0.283 0.000 1.000 101 H CA 1.248 57.437 56.048 0.235 0.000 1.195 101 H CB 0.343 30.243 29.762 0.230 0.000 1.368 101 H HN 0.108 8.979 8.280 0.468 -0.309 0.592 102 S N 0.993 116.945 115.700 0.420 0.000 2.419 102 S HA -0.245 4.404 4.470 0.298 0.000 0.235 102 S C 1.488 176.249 174.600 0.268 0.000 1.019 102 S CA 3.805 62.198 58.200 0.322 0.000 0.982 102 S CB -0.526 62.862 63.200 0.314 0.000 0.789 102 S HN 0.038 8.837 8.310 0.430 -0.231 0.490 103 L N 1.741 123.123 121.223 0.264 0.000 2.353 103 L HA -0.116 4.287 4.340 0.104 0.000 0.220 103 L C 1.523 178.533 176.870 0.233 0.000 1.133 103 L CA 2.196 57.148 54.840 0.186 0.000 0.798 103 L CB -0.941 41.219 42.059 0.169 0.000 0.922 103 L HN -0.631 7.738 8.230 0.304 0.044 0.445 104 A N -0.287 122.721 122.820 0.314 0.000 2.070 104 A HA -0.262 4.231 4.320 0.289 0.000 0.220 104 A C 1.808 179.547 177.584 0.259 0.000 1.159 104 A CA 2.693 54.917 52.037 0.311 0.000 0.656 104 A CB -0.902 18.321 19.000 0.371 0.000 0.800 104 A HN -0.425 7.893 8.150 0.368 0.053 0.453 105 I N -2.683 118.030 120.570 0.238 0.000 2.163 105 I HA -0.535 3.740 4.170 0.174 0.000 0.243 105 I C 1.700 177.978 176.117 0.269 0.000 1.085 105 I CA 3.992 65.411 61.300 0.200 0.000 1.347 105 I CB -0.413 37.668 38.000 0.135 0.000 1.044 105 I HN -0.442 7.890 8.210 0.241 0.023 0.408 106 G N -2.723 106.256 108.800 0.298 0.000 2.394 106 G HA2 -0.316 3.939 3.960 0.473 0.000 0.215 106 G HA3 -0.316 3.907 3.960 0.225 -0.129 0.215 106 G C 1.128 176.161 174.900 0.221 0.000 1.165 106 G CA 1.751 47.036 45.100 0.308 0.000 0.784 106 G HN -0.578 7.864 8.290 0.252 0.000 0.535 107 S N 2.467 118.289 115.700 0.202 0.000 2.356 107 S HA -0.326 4.261 4.470 0.194 0.000 0.223 107 S C 2.144 176.860 174.600 0.194 0.000 1.032 107 S CA 3.318 61.648 58.200 0.217 0.000 1.005 107 S CB 0.019 63.387 63.200 0.279 0.000 0.867 107 S HN -0.337 8.098 8.310 0.208 0.000 0.449 108 I N 0.790 121.398 120.570 0.065 0.000 2.353 108 I HA -0.382 3.683 4.170 -0.176 0.000 0.248 108 I C 1.553 177.725 176.117 0.092 0.000 1.119 108 I CA 3.672 64.930 61.300 -0.070 0.000 1.417 108 I CB -0.024 37.889 38.000 -0.145 0.000 1.078 108 I HN -0.206 8.061 8.210 0.095 0.000 0.421 109 S N 0.683 116.474 115.700 0.151 0.000 2.356 109 S HA -0.302 4.249 4.470 0.136 0.000 0.223 109 S C 2.297 177.013 174.600 0.193 0.000 1.032 109 S CA 4.174 62.485 58.200 0.185 0.000 1.005 109 S CB -0.461 62.922 63.200 0.304 0.000 0.867 109 S HN -0.547 7.864 8.310 0.170 0.000 0.449 110 G N -0.153 108.768 108.800 0.200 0.000 2.418 110 G HA2 -0.309 3.733 3.960 0.138 0.000 0.217 110 G HA3 -0.309 3.867 3.960 0.134 -0.136 0.217 110 G C 0.607 175.627 174.900 0.201 0.000 1.158 110 G CA 1.847 47.043 45.100 0.160 0.000 0.771 110 G HN -0.262 8.154 8.290 0.209 0.000 0.545 111 H N 3.044 122.186 119.070 0.120 0.000 2.352 111 H HA -0.387 4.270 4.556 0.168 0.000 0.299 111 H C 1.455 176.870 175.328 0.144 0.000 1.097 111 H CA 2.289 58.431 56.048 0.158 0.000 1.311 111 H CB 0.236 30.126 29.762 0.212 0.000 1.377 111 H HN -0.574 7.893 8.280 0.312 0.000 0.504 112 A N -2.907 119.988 122.820 0.124 0.000 2.066 112 A HA -0.103 4.389 4.320 -0.035 -0.193 0.218 112 A C 1.864 179.472 177.584 0.040 0.000 1.157 112 A CA 1.928 53.978 52.037 0.023 0.000 0.670 112 A CB -0.523 18.485 19.000 0.013 0.000 0.804 112 A HN -0.236 8.007 8.150 0.156 0.000 0.453 113 R N -2.646 117.895 120.500 0.069 0.000 2.127 113 R HA -0.299 4.063 4.340 0.037 0.000 0.238 113 R C 1.078 177.371 176.300 -0.011 0.000 1.134 113 R CA 2.856 58.981 56.100 0.041 0.000 0.975 113 R CB 0.037 30.371 30.300 0.057 0.000 0.865 113 R HN -0.532 7.671 8.270 0.102 0.128 0.447 114 V N -3.714 116.179 119.914 -0.035 0.000 3.085 114 V HA -0.061 3.948 4.120 -0.185 0.000 0.245 114 V C 0.439 176.269 176.094 -0.441 0.000 1.114 114 V CA 1.772 63.943 62.300 -0.215 0.000 1.108 114 V CB 1.267 32.964 31.823 -0.211 0.000 0.798 114 V HN -0.691 7.483 8.190 0.030 0.034 0.471 115 H N -0.999 118.082 119.070 0.019 0.000 2.448 115 H HA 0.539 5.088 4.556 -0.011 0.000 0.237 115 H C -1.500 173.777 175.328 -0.086 0.000 1.391 115 H CA -2.789 53.236 56.048 -0.039 0.000 1.477 115 H CB 0.909 30.632 29.762 -0.066 0.000 1.520 115 H HN -0.381 7.903 8.280 0.006 0.000 0.502 116 P HA -0.093 4.419 4.420 -0.005 -0.094 0.225 116 P C -0.347 176.952 177.300 -0.002 0.000 1.148 116 P CA 1.156 64.257 63.100 0.002 0.000 0.779 116 P CB 0.225 31.926 31.700 0.001 0.000 0.780 117 D N -5.318 115.090 120.400 0.012 0.000 2.328 117 D HA -0.015 4.623 4.640 -0.005 0.000 0.221 117 D C 0.341 176.632 176.300 -0.015 0.000 1.072 117 D CA -1.448 52.553 54.000 0.002 0.000 0.850 117 D CB -0.876 39.933 40.800 0.014 0.000 0.922 117 D HN 0.179 8.503 8.370 0.037 0.069 0.516 118 L N -1.091 120.104 121.223 -0.047 0.000 2.492 118 L HA 0.284 4.768 4.340 -0.055 -0.177 0.280 118 L C 0.535 177.399 176.870 -0.011 0.000 1.240 118 L CA 0.620 55.421 54.840 -0.066 0.000 0.831 118 L CB 0.027 41.960 42.059 -0.210 0.000 1.100 118 L HN -0.738 7.387 8.230 -0.055 0.073 0.505 119 G N -1.238 107.579 108.800 0.028 0.000 2.448 119 G HA2 0.597 4.709 3.960 0.052 0.000 0.324 119 G HA3 0.597 4.595 3.960 0.064 0.000 0.324 119 G C -2.213 172.758 174.900 0.119 0.000 1.203 119 G CA -0.929 44.209 45.100 0.063 0.000 0.954 119 G HN 0.176 8.484 8.290 0.031 0.000 0.480 120 V N 2.922 122.913 119.914 0.129 0.000 2.513 120 V HA 0.788 5.254 4.120 0.248 -0.197 0.299 120 V C -1.303 174.898 176.094 0.178 0.000 1.035 120 V CA -2.176 60.240 62.300 0.193 0.000 0.889 120 V CB 2.556 34.496 31.823 0.195 0.000 0.988 120 V HN 0.628 8.881 8.190 0.105 0.000 0.440 121 I N 4.868 125.562 120.570 0.207 0.000 2.362 121 I HA 0.434 4.879 4.170 0.170 -0.173 0.289 121 I C -1.814 174.445 176.117 0.237 0.000 0.994 121 I CA -1.022 60.389 61.300 0.184 0.000 1.158 121 I CB 2.443 40.526 38.000 0.137 0.000 1.315 121 I HN 0.576 8.922 8.210 0.226 0.000 0.451 122 W N 8.904 130.210 121.300 0.010 0.000 2.338 122 W HA 0.527 5.414 4.660 0.109 -0.161 0.315 122 W C -2.219 174.354 176.519 0.090 0.000 1.005 122 W CA -1.807 55.567 57.345 0.048 0.000 1.380 122 W CB 2.317 31.713 29.460 -0.106 0.000 1.235 122 W HN 0.883 9.224 8.180 0.269 0.000 0.409 123 V N 9.635 129.524 119.914 -0.042 0.000 2.364 123 V HA 0.564 4.886 4.120 -0.009 -0.208 0.272 123 V C -1.934 174.040 176.094 -0.200 0.000 1.036 123 V CA -0.513 61.669 62.300 -0.196 0.000 0.880 123 V CB 0.526 31.964 31.823 -0.641 0.000 0.991 123 V HN 0.312 8.396 8.190 -0.177 0.000 0.460 124 D N 6.767 127.183 120.400 0.025 0.000 2.722 124 D HA 0.244 4.908 4.640 0.039 0.000 0.231 124 D C -1.683 174.653 176.300 0.059 0.000 1.218 124 D CA -0.327 53.751 54.000 0.130 0.000 0.753 124 D CB 4.173 45.248 40.800 0.459 0.000 1.471 124 D HN -0.157 8.248 8.370 0.058 0.000 0.455 125 A N 0.646 123.421 122.820 -0.076 0.000 2.070 125 A HA -0.109 4.295 4.320 -0.191 -0.199 0.220 125 A C -0.527 176.790 177.584 -0.445 0.000 1.159 125 A CA 1.675 53.521 52.037 -0.319 0.000 0.656 125 A CB 0.884 19.574 19.000 -0.516 0.000 0.800 125 A HN 0.019 8.352 8.150 -0.040 -0.207 0.453 126 H N -4.327 114.787 119.070 0.074 0.000 2.569 126 H HA 0.360 4.889 4.556 -0.045 0.000 0.357 126 H C 0.713 176.034 175.328 -0.011 0.000 1.153 126 H CA -1.494 54.565 56.048 0.019 0.000 1.193 126 H CB 2.998 32.787 29.762 0.045 0.000 1.602 126 H HN -0.590 7.935 8.280 0.024 -0.230 0.523 127 T N -2.404 112.087 114.554 -0.105 0.000 3.043 127 T HA -0.213 3.718 4.350 -0.698 0.000 0.263 127 T C 0.474 175.049 174.700 -0.208 0.000 1.094 127 T CA 1.343 63.187 62.100 -0.427 0.000 1.127 127 T CB 0.430 68.921 68.868 -0.629 0.000 0.905 127 T HN 0.492 8.683 8.240 -0.083 0.000 0.490 128 D N -1.099 119.268 120.400 -0.054 0.000 2.772 128 D HA -0.356 4.333 4.640 -0.023 -0.063 0.233 128 D C -1.640 174.582 176.300 -0.129 0.000 1.143 128 D CA 1.531 55.502 54.000 -0.049 0.000 0.700 128 D CB -2.430 38.421 40.800 0.086 0.000 1.076 128 D HN -0.275 8.138 8.370 -0.010 -0.049 0.430 129 I N -4.193 116.303 120.570 -0.123 0.000 4.050 129 I HA 0.056 4.155 4.170 -0.119 0.000 0.327 129 I C -1.380 174.690 176.117 -0.079 0.000 1.473 129 I CA -1.215 60.016 61.300 -0.114 0.000 1.124 129 I CB 0.724 38.651 38.000 -0.122 0.000 1.129 129 I HN -0.387 8.034 8.210 -0.117 -0.282 0.428 130 N N 1.846 120.515 118.700 -0.052 0.000 2.395 130 N HA -0.039 4.678 4.740 -0.040 0.000 0.246 130 N C 0.037 175.515 175.510 -0.053 0.000 1.246 130 N CA 1.849 54.877 53.050 -0.036 0.000 0.879 130 N CB 0.795 39.277 38.487 -0.009 0.000 1.098 130 N HN -0.755 7.705 8.380 -0.048 -0.109 0.444 131 T N -1.653 112.854 114.554 -0.077 0.000 2.881 131 T HA 0.640 4.862 4.350 -0.214 0.000 0.278 131 T C -0.723 173.929 174.700 -0.081 0.000 0.982 131 T CA -2.968 59.047 62.100 -0.143 0.000 0.989 131 T CB 0.516 69.288 68.868 -0.160 0.000 1.058 131 T HN 0.204 8.407 8.240 -0.062 0.000 0.529 132 P HA -0.040 4.571 4.420 0.081 -0.143 0.223 132 P C -0.935 176.392 177.300 0.045 0.000 1.144 132 P CA 2.111 65.233 63.100 0.037 0.000 0.783 132 P CB 0.044 31.795 31.700 0.085 0.000 0.771 133 L N -7.792 113.430 121.223 -0.002 0.000 2.463 133 L HA 0.189 4.519 4.340 -0.017 0.000 0.219 133 L C 1.634 178.486 176.870 -0.030 0.000 1.088 133 L CA 0.636 55.465 54.840 -0.019 0.000 0.849 133 L CB 0.194 42.236 42.059 -0.028 0.000 1.012 133 L HN -0.729 7.434 8.230 -0.029 0.049 0.468 134 T N -5.078 109.457 114.554 -0.031 0.000 3.037 134 T HA -0.033 4.296 4.350 -0.035 0.000 0.251 134 T C 0.967 175.658 174.700 -0.016 0.000 1.079 134 T CA 0.188 62.270 62.100 -0.030 0.000 1.067 134 T CB 0.751 69.601 68.868 -0.030 0.000 0.948 134 T HN -0.661 7.558 8.240 -0.035 0.000 0.496 135 T N 3.838 118.390 114.554 -0.003 0.000 2.934 135 T HA -0.148 4.209 4.350 0.011 0.000 0.306 135 T C 0.488 175.194 174.700 0.010 0.000 1.042 135 T CA 0.832 62.940 62.100 0.014 0.000 1.145 135 T CB 0.962 69.855 68.868 0.042 0.000 0.982 135 T HN -0.598 7.640 8.240 -0.003 0.000 0.544 136 T N 2.403 116.964 114.554 0.012 0.000 3.015 136 T HA 0.162 4.515 4.350 0.004 0.000 0.250 136 T C 1.041 175.753 174.700 0.020 0.000 1.057 136 T CA -0.014 62.091 62.100 0.009 0.000 1.066 136 T CB 1.261 70.131 68.868 0.003 0.000 0.959 136 T HN 0.342 8.590 8.240 0.014 0.000 0.488 137 S N -0.226 115.495 115.700 0.034 0.000 2.486 137 S HA 0.039 4.530 4.470 0.035 0.000 0.220 137 S C 1.012 175.644 174.600 0.054 0.000 1.011 137 S CA 0.261 58.488 58.200 0.045 0.000 0.921 137 S CB 1.212 64.449 63.200 0.062 0.000 0.785 137 S HN -0.632 7.700 8.310 0.037 0.000 0.517 138 G N 1.327 110.166 108.800 0.064 0.000 2.187 138 G HA2 -0.499 3.516 3.960 0.092 0.000 0.261 138 G HA3 -0.499 3.735 3.960 0.078 -0.227 0.261 138 G C -1.218 173.750 174.900 0.112 0.000 1.000 138 G CA 0.799 45.951 45.100 0.086 0.000 0.718 138 G HN -0.323 7.945 8.290 0.058 0.057 0.519 139 N N 0.824 119.600 118.700 0.126 0.000 2.406 139 N HA 0.167 4.969 4.740 0.103 0.000 0.251 139 N C 0.167 175.824 175.510 0.245 0.000 1.069 139 N CA -1.100 52.042 53.050 0.154 0.000 0.947 139 N CB 0.137 38.715 38.487 0.152 0.000 1.111 139 N HN -0.735 7.664 8.380 0.123 0.054 0.497 140 L N 3.788 125.141 121.223 0.217 0.000 2.362 140 L HA -0.267 4.205 4.340 0.220 0.000 0.219 140 L C 1.337 178.387 176.870 0.301 0.000 1.134 140 L CA 2.502 57.484 54.840 0.237 0.000 0.807 140 L CB -0.354 41.841 42.059 0.227 0.000 0.927 140 L HN 0.734 9.069 8.230 0.175 0.000 0.447 141 H N -3.129 116.030 119.070 0.148 0.000 2.545 141 H HA -0.196 4.565 4.556 0.218 -0.075 0.282 141 H C 0.747 176.170 175.328 0.159 0.000 1.020 141 H CA 1.017 57.174 56.048 0.182 0.000 1.243 141 H CB -0.170 29.700 29.762 0.181 0.000 1.377 141 H HN -0.309 8.207 8.280 0.453 0.036 0.581 142 G N -3.149 105.724 108.800 0.122 0.000 3.042 142 G HA2 0.121 4.011 3.960 -0.118 0.000 0.212 142 G HA3 0.121 4.065 3.960 -0.027 0.000 0.212 142 G C -0.632 174.295 174.900 0.046 0.000 1.166 142 G CA -0.371 44.717 45.100 -0.020 0.000 0.767 142 G HN -0.363 8.052 8.290 0.307 0.059 0.546 143 Q N -2.256 117.614 119.800 0.116 0.000 2.189 143 Q HA 0.603 5.145 4.340 0.069 -0.161 0.223 143 Q C -1.497 174.612 176.000 0.182 0.000 0.828 143 Q CA -0.071 55.814 55.803 0.137 0.000 0.967 143 Q CB 0.193 29.067 28.738 0.226 0.000 1.139 143 Q HN -0.356 7.834 8.270 0.159 0.175 0.497 144 P HA -0.142 4.398 4.420 0.201 0.000 0.217 144 P C 0.816 178.176 177.300 0.101 0.000 1.150 144 P CA 2.958 66.165 63.100 0.178 0.000 0.832 144 P CB -0.159 31.680 31.700 0.233 0.000 0.787 145 V N -2.196 117.655 119.914 -0.105 0.000 2.490 145 V HA -0.398 3.608 4.120 -0.190 0.000 0.250 145 V C 1.799 177.837 176.094 -0.094 0.000 1.061 145 V CA 3.594 65.768 62.300 -0.210 0.000 1.064 145 V CB -1.008 30.542 31.823 -0.455 0.000 0.670 145 V HN -0.100 7.995 8.190 -0.159 0.000 0.461 146 S N 0.942 116.601 115.700 -0.069 0.000 2.402 146 S HA -0.235 4.155 4.470 -0.133 0.000 0.229 146 S C 1.802 176.297 174.600 -0.174 0.000 1.021 146 S CA 3.270 61.387 58.200 -0.138 0.000 0.974 146 S CB -0.421 62.654 63.200 -0.209 0.000 0.800 146 S HN -0.531 7.732 8.310 -0.044 0.020 0.484 147 F N -0.347 119.513 119.950 -0.150 0.000 2.365 147 F HA -0.120 4.294 4.527 -0.190 0.000 0.300 147 F C 1.253 176.972 175.800 -0.135 0.000 1.090 147 F CA 2.775 60.671 58.000 -0.173 0.000 1.408 147 F CB -0.029 38.844 39.000 -0.211 0.000 1.060 147 F HN -0.935 7.497 8.300 0.219 0.000 0.534 148 L N -3.296 117.964 121.223 0.063 0.000 2.416 148 L HA -0.104 4.250 4.340 0.024 0.000 0.216 148 L C -0.537 176.318 176.870 -0.024 0.000 1.098 148 L CA 0.509 55.360 54.840 0.017 0.000 0.840 148 L CB 0.454 42.526 42.059 0.022 0.000 0.981 148 L HN -0.750 7.356 8.230 0.061 0.160 0.462 149 L N -1.382 119.811 121.223 -0.051 0.000 2.281 149 L HA 0.202 4.730 4.340 -0.049 -0.217 0.285 149 L C 1.425 178.261 176.870 -0.058 0.000 1.074 149 L CA -0.433 54.372 54.840 -0.058 0.000 0.817 149 L CB 0.189 42.204 42.059 -0.072 0.000 1.168 149 L HN -0.730 7.465 8.230 -0.059 0.000 0.434 150 K N 4.624 124.998 120.400 -0.044 0.000 2.103 150 K HA -0.408 3.886 4.320 -0.044 0.000 0.207 150 K C 1.972 178.543 176.600 -0.048 0.000 1.048 150 K CA 4.239 60.501 56.287 -0.042 0.000 0.930 150 K CB -0.066 32.415 32.500 -0.031 0.000 0.716 150 K HN 0.146 8.373 8.250 -0.038 0.000 0.444 151 E N -3.745 116.426 120.200 -0.048 0.000 2.265 151 E HA -0.240 4.084 4.350 -0.042 0.000 0.196 151 E C 1.126 177.692 176.600 -0.057 0.000 0.996 151 E CA 2.199 58.570 56.400 -0.048 0.000 0.832 151 E CB -0.648 29.024 29.700 -0.047 0.000 0.756 151 E HN 0.116 8.448 8.360 -0.046 0.000 0.491 152 L N -2.652 118.527 121.223 -0.073 0.000 2.628 152 L HA 0.083 4.377 4.340 -0.077 0.000 0.229 152 L C -0.833 175.973 176.870 -0.107 0.000 1.137 152 L CA -1.371 53.414 54.840 -0.091 0.000 0.909 152 L CB -0.242 41.747 42.059 -0.116 0.000 1.137 152 L HN -0.727 7.411 8.230 -0.075 0.047 0.470 153 K N -0.120 120.228 120.400 -0.088 0.000 2.447 153 K HA -0.120 4.136 4.320 -0.106 0.000 0.281 153 K C 0.507 177.065 176.600 -0.069 0.000 1.031 153 K CA 0.732 56.969 56.287 -0.083 0.000 1.019 153 K CB -0.682 31.779 32.500 -0.065 0.000 0.918 153 K HN -0.847 7.318 8.250 -0.079 0.037 0.476 154 G N 4.169 112.925 108.800 -0.074 0.000 2.307 154 G HA2 -0.211 3.719 3.960 -0.051 0.000 0.210 154 G HA3 -0.211 3.722 3.960 -0.046 0.000 0.210 154 G C 0.442 175.303 174.900 -0.064 0.000 1.005 154 G CA 0.227 45.293 45.100 -0.057 0.000 0.634 154 G HN 0.406 8.646 8.290 -0.083 0.000 0.496 155 K N -0.790 119.558 120.400 -0.086 0.000 2.367 155 K HA 0.238 4.516 4.320 -0.070 0.000 0.194 155 K C -0.400 176.114 176.600 -0.142 0.000 1.027 155 K CA -0.787 55.445 56.287 -0.092 0.000 1.075 155 K CB 0.783 33.233 32.500 -0.084 0.000 0.845 155 K HN -0.202 7.907 8.250 -0.094 0.084 0.529 156 I N 1.755 122.211 120.570 -0.191 0.000 2.297 156 I HA 0.244 4.220 4.170 -0.324 0.000 0.291 156 I C -1.833 174.176 176.117 -0.181 0.000 1.033 156 I CA -4.576 56.547 61.300 -0.295 0.000 1.253 156 I CB -1.236 36.477 38.000 -0.479 0.000 1.396 156 I HN -0.776 7.285 8.210 -0.171 0.046 0.476 157 P HA 0.091 4.509 4.420 -0.003 0.000 0.273 157 P C -1.326 175.916 177.300 -0.097 0.000 1.250 157 P CA -1.186 61.906 63.100 -0.013 0.000 0.793 157 P CB 0.878 32.691 31.700 0.187 0.000 1.011 158 D N 0.434 120.797 120.400 -0.063 0.000 2.416 158 D HA -0.032 4.559 4.640 -0.082 0.000 0.240 158 D C -1.033 175.086 176.300 -0.303 0.000 1.250 158 D CA 0.060 53.999 54.000 -0.102 0.000 0.967 158 D CB -0.894 39.892 40.800 -0.024 0.000 1.059 158 D HN 0.037 8.408 8.370 0.001 0.000 0.512 159 V N 4.987 124.686 119.914 -0.359 0.000 2.461 159 V HA 0.229 3.487 4.120 -1.438 0.000 0.275 159 V C -1.572 174.447 176.094 -0.125 0.000 1.047 159 V CA -3.253 58.678 62.300 -0.615 0.000 0.955 159 V CB 0.764 32.395 31.823 -0.319 0.000 0.988 159 V HN -0.507 7.571 8.190 -0.188 0.000 0.471 160 P HA -0.111 4.324 4.420 0.026 0.000 0.264 160 P C -0.437 176.912 177.300 0.082 0.000 1.193 160 P CA 0.855 63.972 63.100 0.028 0.000 0.763 160 P CB 0.376 32.108 31.700 0.054 0.000 0.810 161 G N 1.571 110.383 108.800 0.019 0.000 2.195 161 G HA2 -0.265 3.647 3.960 -0.080 0.000 0.224 161 G HA3 -0.265 3.519 3.960 -0.294 0.000 0.224 161 G C -0.365 174.384 174.900 -0.252 0.000 0.990 161 G CA 0.494 45.502 45.100 -0.154 0.000 0.639 161 G HN 0.186 8.503 8.290 0.044 0.000 0.514 162 F N -1.424 118.546 119.950 0.033 0.000 2.698 162 F HA 0.305 4.679 4.527 -0.255 0.000 0.304 162 F C 0.235 175.892 175.800 -0.238 0.000 1.108 162 F CA -0.993 56.905 58.000 -0.170 0.000 1.263 162 F CB 0.178 39.087 39.000 -0.151 0.000 1.013 162 F HN -0.537 7.825 8.300 0.210 0.063 0.532 163 S N 3.066 118.820 115.700 0.090 0.000 2.474 163 S HA -0.240 4.250 4.470 0.033 0.000 0.235 163 S C 0.813 175.450 174.600 0.062 0.000 0.997 163 S CA 2.384 60.622 58.200 0.063 0.000 0.949 163 S CB -0.751 62.504 63.200 0.091 0.000 0.766 163 S HN 0.243 8.641 8.310 0.146 0.000 0.517 164 W N -2.656 118.672 121.300 0.046 0.000 2.800 164 W HA -0.018 4.658 4.660 0.026 0.000 0.249 164 W C -0.666 175.888 176.519 0.059 0.000 1.294 164 W CA -1.035 56.329 57.345 0.032 0.000 1.402 164 W CB -0.336 29.122 29.460 -0.002 0.000 1.126 164 W HN -0.591 7.673 8.180 0.226 0.052 0.652 165 V N 2.675 122.185 119.914 -0.674 0.000 2.614 165 V HA -0.035 3.600 4.120 -0.808 0.000 0.291 165 V C -0.231 175.740 176.094 -0.206 0.000 1.049 165 V CA 0.648 62.547 62.300 -0.669 0.000 1.038 165 V CB -0.021 31.413 31.823 -0.648 0.000 0.980 165 V HN -0.729 6.980 8.190 -0.695 0.063 0.481 166 T N 9.104 123.593 114.554 -0.109 0.000 2.847 166 T HA 0.392 4.715 4.350 -0.046 0.000 0.291 166 T C -2.021 172.659 174.700 -0.032 0.000 0.998 166 T CA -3.335 58.742 62.100 -0.039 0.000 0.967 166 T CB 1.167 70.040 68.868 0.008 0.000 0.954 166 T HN -0.097 8.080 8.240 -0.106 0.000 0.441 167 P HA 0.020 4.494 4.420 -0.024 -0.068 0.262 167 P C -0.853 176.438 177.300 -0.014 0.000 1.182 167 P CA 0.016 63.100 63.100 -0.027 0.000 0.761 167 P CB 0.245 31.922 31.700 -0.039 0.000 0.795 168 C N 0.678 119.974 119.300 -0.006 0.000 3.724 168 C HA 0.282 4.742 4.460 -0.000 0.000 0.327 168 C C -0.178 174.808 174.990 -0.007 0.000 1.490 168 C CA -1.602 57.416 59.018 0.001 0.000 1.825 168 C CB 1.315 29.065 27.740 0.017 0.000 2.613 168 C HN 0.117 8.344 8.230 -0.006 0.000 0.692 169 I N -1.818 118.744 120.570 -0.013 0.000 2.730 169 I HA 0.449 4.611 4.170 -0.013 0.000 0.298 169 I C -2.261 173.843 176.117 -0.021 0.000 1.089 169 I CA -1.596 59.694 61.300 -0.015 0.000 1.041 169 I CB 3.019 41.011 38.000 -0.013 0.000 1.235 169 I HN -0.570 7.631 8.210 -0.015 0.000 0.423 170 S N 2.969 118.658 115.700 -0.018 0.000 2.687 170 S HA 0.395 4.991 4.470 -0.025 -0.141 0.283 170 S C 1.008 175.601 174.600 -0.012 0.000 1.170 170 S CA -1.807 56.382 58.200 -0.019 0.000 1.008 170 S CB 2.057 65.246 63.200 -0.018 0.000 1.026 170 S HN 0.123 8.728 8.310 -0.014 -0.304 0.541 171 A N 2.893 125.705 122.820 -0.012 0.000 1.986 171 A HA -0.290 4.023 4.320 -0.010 0.000 0.220 171 A C 1.260 178.870 177.584 0.045 0.000 1.171 171 A CA 3.234 55.272 52.037 0.001 0.000 0.640 171 A CB -0.329 18.667 19.000 -0.008 0.000 0.811 171 A HN 0.272 8.882 8.150 -0.018 -0.471 0.451 172 K N -5.802 114.627 120.400 0.047 0.000 2.525 172 K HA -0.066 4.363 4.320 0.181 0.000 0.192 172 K C -0.075 176.585 176.600 0.100 0.000 1.029 172 K CA 1.468 57.809 56.287 0.090 0.000 1.029 172 K CB -0.537 31.963 32.500 -0.000 0.000 0.814 172 K HN 0.069 8.304 8.250 0.020 0.027 0.503 173 D N -1.636 118.805 120.400 0.068 0.000 2.363 173 D HA 0.190 4.862 4.640 0.055 0.000 0.214 173 D C -1.752 174.597 176.300 0.082 0.000 1.093 173 D CA 0.310 54.345 54.000 0.058 0.000 0.837 173 D CB 1.320 42.130 40.800 0.017 0.000 0.948 173 D HN -0.273 7.940 8.370 0.046 0.184 0.507 174 I N -0.962 119.656 120.570 0.080 0.000 2.608 174 I HA 0.746 5.139 4.170 0.039 -0.200 0.295 174 I C -2.865 173.256 176.117 0.006 0.000 1.049 174 I CA -1.697 59.603 61.300 0.001 0.000 1.063 174 I CB 3.364 41.269 38.000 -0.157 0.000 1.248 174 I HN -1.014 7.196 8.210 0.098 0.059 0.424 175 V N 5.717 125.634 119.914 0.005 0.000 2.540 175 V HA 0.496 4.802 4.120 -0.015 -0.194 0.302 175 V C -1.171 174.948 176.094 0.041 0.000 1.035 175 V CA -2.974 59.343 62.300 0.029 0.000 0.873 175 V CB 2.126 34.029 31.823 0.134 0.000 0.992 175 V HN 0.478 8.691 8.190 0.039 0.000 0.428 176 Y N 6.270 126.684 120.300 0.190 0.000 2.310 176 Y HA 0.429 5.344 4.550 0.293 -0.189 0.326 176 Y C -0.174 175.895 175.900 0.281 0.000 1.151 176 Y CA -0.553 57.689 58.100 0.238 0.000 1.195 176 Y CB 1.743 40.302 38.460 0.166 0.000 1.210 176 Y HN -0.192 8.240 8.280 0.253 0.000 0.483 177 I N 0.189 121.003 120.570 0.406 0.000 2.499 177 I HA 0.427 4.997 4.170 0.364 -0.182 0.288 177 I C -0.415 175.818 176.117 0.192 0.000 1.048 177 I CA -1.049 60.427 61.300 0.294 0.000 1.062 177 I CB 2.863 40.969 38.000 0.177 0.000 1.238 177 I HN 0.344 8.796 8.210 0.404 0.000 0.426 178 G N 4.155 113.051 108.800 0.160 0.000 2.192 178 G HA2 -0.304 3.698 3.960 0.070 0.000 0.193 178 G HA3 -0.304 3.684 3.960 0.046 0.000 0.193 178 G C -1.281 173.643 174.900 0.041 0.000 0.999 178 G CA -0.234 44.913 45.100 0.077 0.000 0.659 178 G HN 0.556 8.966 8.290 0.200 0.000 0.503 179 L N 0.717 121.969 121.223 0.049 0.000 2.499 179 L HA -0.286 4.073 4.340 -0.084 -0.069 0.273 179 L C -0.170 176.663 176.870 -0.061 0.000 1.195 179 L CA 0.866 55.678 54.840 -0.047 0.000 0.882 179 L CB -0.328 41.669 42.059 -0.103 0.000 1.133 179 L HN -0.800 7.494 8.230 0.106 0.000 0.483 180 R N -1.293 119.136 120.500 -0.120 0.000 2.433 180 R HA 0.289 4.581 4.340 -0.080 0.000 0.322 180 R C -1.031 175.200 176.300 -0.115 0.000 0.808 180 R CA -0.006 56.034 56.100 -0.099 0.000 1.046 180 R CB 1.790 32.050 30.300 -0.066 0.000 1.740 180 R HN 0.726 8.895 8.270 -0.169 0.000 0.490 181 D N 0.867 121.182 120.400 -0.142 0.000 2.668 181 D HA 0.093 4.706 4.640 -0.046 0.000 0.247 181 D C -1.954 174.344 176.300 -0.003 0.000 1.268 181 D CA 0.075 54.041 54.000 -0.057 0.000 0.842 181 D CB 1.770 42.556 40.800 -0.022 0.000 1.399 181 D HN -0.389 7.873 8.370 -0.180 0.000 0.530 182 V N 3.428 123.302 119.914 -0.066 0.000 2.384 182 V HA 0.061 4.145 4.120 -0.060 0.000 0.287 182 V C -0.481 175.578 176.094 -0.058 0.000 1.020 182 V CA -1.442 60.807 62.300 -0.084 0.000 0.850 182 V CB 1.462 33.185 31.823 -0.166 0.000 0.987 182 V HN -0.091 8.045 8.190 -0.091 0.000 0.436 183 D N 8.042 128.424 120.400 -0.028 0.000 2.357 183 D HA 0.233 4.862 4.640 -0.017 0.000 0.242 183 D C -0.434 175.864 176.300 -0.003 0.000 1.153 183 D CA -1.407 52.583 54.000 -0.016 0.000 0.918 183 D CB 0.063 40.858 40.800 -0.008 0.000 1.181 183 D HN -0.151 8.487 8.370 -0.025 -0.283 0.435 184 P HA -0.198 4.255 4.420 0.056 0.000 0.215 184 P C 1.388 178.730 177.300 0.071 0.000 1.157 184 P CA 2.463 65.586 63.100 0.038 0.000 0.874 184 P CB 0.228 31.935 31.700 0.011 0.000 0.790 185 G N -3.317 105.504 108.800 0.034 0.000 2.422 185 G HA2 -0.384 3.612 3.960 0.059 0.000 0.218 185 G HA3 -0.384 3.585 3.960 0.014 0.000 0.218 185 G C 1.160 176.109 174.900 0.082 0.000 1.146 185 G CA 1.682 46.812 45.100 0.050 0.000 0.769 185 G HN 0.585 8.882 8.290 0.012 0.000 0.547 186 E N 1.885 122.102 120.200 0.028 0.000 2.051 186 E HA -0.459 3.870 4.350 -0.035 0.000 0.192 186 E C 1.551 178.139 176.600 -0.020 0.000 0.991 186 E CA 3.431 59.818 56.400 -0.022 0.000 0.799 186 E CB -0.377 29.283 29.700 -0.067 0.000 0.748 186 E HN -0.117 8.237 8.360 0.016 0.015 0.449 187 H N 0.787 119.801 119.070 -0.094 0.000 2.353 187 H HA -0.329 4.102 4.556 -0.208 0.000 0.300 187 H C 1.948 177.241 175.328 -0.059 0.000 1.090 187 H CA 3.219 59.193 56.048 -0.123 0.000 1.327 187 H CB 0.694 30.398 29.762 -0.097 0.000 1.383 187 H HN -0.475 7.873 8.280 0.114 0.000 0.508 188 Y N 0.555 120.799 120.300 -0.092 0.000 2.097 188 Y HA -0.410 4.047 4.550 -0.155 0.000 0.282 188 Y C 1.626 177.446 175.900 -0.134 0.000 1.152 188 Y CA 3.864 61.891 58.100 -0.123 0.000 1.136 188 Y CB -0.309 38.113 38.460 -0.064 0.000 0.975 188 Y HN -0.309 8.096 8.280 0.207 0.000 0.498 189 I N -1.359 119.146 120.570 -0.108 0.000 2.163 189 I HA -0.655 3.357 4.170 -0.263 0.000 0.243 189 I C 1.796 177.775 176.117 -0.231 0.000 1.085 189 I CA 4.286 65.476 61.300 -0.184 0.000 1.347 189 I CB -0.220 37.745 38.000 -0.059 0.000 1.044 189 I HN -0.496 7.754 8.210 0.068 0.000 0.408 190 L N -0.959 120.135 121.223 -0.214 0.000 1.990 190 L HA -0.520 3.752 4.340 -0.113 0.000 0.213 190 L C 2.363 179.115 176.870 -0.196 0.000 1.072 190 L CA 3.473 58.198 54.840 -0.192 0.000 0.755 190 L CB -0.606 41.278 42.059 -0.291 0.000 0.889 190 L HN -0.098 8.012 8.230 -0.201 0.000 0.432 191 K N -3.310 116.901 120.400 -0.315 0.000 2.097 191 K HA -0.185 4.029 4.320 -0.178 0.000 0.205 191 K C 2.431 178.867 176.600 -0.273 0.000 1.050 191 K CA 2.070 58.192 56.287 -0.275 0.000 0.938 191 K CB -0.475 31.811 32.500 -0.357 0.000 0.718 191 K HN -0.568 7.441 8.250 -0.402 0.000 0.442 192 T N 0.029 114.333 114.554 -0.417 0.000 2.708 192 T HA -0.251 3.891 4.350 -0.347 0.000 0.266 192 T C 1.416 175.981 174.700 -0.225 0.000 1.037 192 T CA 3.070 64.930 62.100 -0.401 0.000 1.146 192 T CB 0.299 68.757 68.868 -0.684 0.000 0.865 192 T HN -0.288 7.637 8.240 -0.525 0.000 0.435 193 L N -3.261 117.851 121.223 -0.185 0.000 2.558 193 L HA 0.085 4.366 4.340 -0.097 0.000 0.225 193 L C 0.627 177.460 176.870 -0.062 0.000 1.128 193 L CA 0.203 54.980 54.840 -0.104 0.000 0.868 193 L CB 0.627 42.635 42.059 -0.084 0.000 1.006 193 L HN -0.488 7.615 8.230 -0.213 0.000 0.454 194 G N -0.688 108.074 108.800 -0.063 0.000 2.272 194 G HA2 -0.390 3.551 3.960 -0.033 0.000 0.280 194 G HA3 -0.390 3.556 3.960 -0.024 0.000 0.280 194 G C -0.038 174.870 174.900 0.014 0.000 1.067 194 G CA 0.404 45.489 45.100 -0.026 0.000 0.902 194 G HN -0.663 7.520 8.290 -0.094 0.051 0.500 195 I N -1.189 119.403 120.570 0.037 0.000 2.588 195 I HA -0.329 3.883 4.170 0.070 0.000 0.283 195 I C -0.185 175.978 176.117 0.076 0.000 1.119 195 I CA 0.356 61.705 61.300 0.081 0.000 1.419 195 I CB 0.754 38.827 38.000 0.122 0.000 1.394 195 I HN -0.750 7.473 8.210 0.021 0.000 0.562 196 K N 8.554 128.906 120.400 -0.079 0.000 2.339 196 K HA 0.051 4.086 4.320 -0.475 0.000 0.286 196 K C -1.865 174.642 176.600 -0.155 0.000 1.050 196 K CA -0.376 55.689 56.287 -0.371 0.000 0.956 196 K CB 0.657 32.619 32.500 -0.897 0.000 0.990 196 K HN 0.452 8.669 8.250 -0.055 0.000 0.475 197 Y N 0.010 120.087 120.300 -0.371 0.000 2.571 197 Y HA 0.520 5.211 4.550 -0.014 -0.149 0.341 197 Y C -1.596 173.987 175.900 -0.529 0.000 1.076 197 Y CA -2.510 55.470 58.100 -0.200 0.000 1.029 197 Y CB 3.309 41.752 38.460 -0.028 0.000 1.308 197 Y HN -0.382 7.360 8.280 -0.897 0.000 0.461 198 F N 1.894 121.959 119.950 0.191 0.000 2.552 198 F HA 0.267 4.825 4.527 0.053 0.000 0.369 198 F C -0.740 175.173 175.800 0.188 0.000 1.112 198 F CA -1.300 56.767 58.000 0.113 0.000 1.129 198 F CB 1.199 40.229 39.000 0.050 0.000 1.360 198 F HN 0.295 8.837 8.300 0.403 0.000 0.473 199 S N 3.279 119.192 115.700 0.354 0.000 2.596 199 S HA 0.068 4.788 4.470 0.169 -0.149 0.260 199 S C 0.960 175.659 174.600 0.165 0.000 1.336 199 S CA 0.188 58.516 58.200 0.213 0.000 0.993 199 S CB 1.512 64.814 63.200 0.170 0.000 0.923 199 S HN 0.096 8.842 8.310 0.406 -0.193 0.567 200 M N -0.457 119.200 119.600 0.095 0.000 2.267 200 M HA -0.170 4.362 4.480 0.086 0.000 0.263 200 M C 2.198 178.545 176.300 0.078 0.000 1.063 200 M CA 1.236 56.583 55.300 0.078 0.000 1.090 200 M CB -2.121 30.506 32.600 0.045 0.000 1.392 200 M HN 0.358 8.689 8.290 0.068 0.000 0.422 201 T N 1.735 116.336 114.554 0.078 0.000 2.746 201 T HA -0.372 4.011 4.350 0.055 0.000 0.267 201 T C 1.876 176.628 174.700 0.087 0.000 1.039 201 T CA 4.532 66.674 62.100 0.071 0.000 1.142 201 T CB -0.336 68.573 68.868 0.067 0.000 0.866 201 T HN -0.523 7.744 8.240 0.077 0.019 0.444 202 E N 1.099 121.375 120.200 0.127 0.000 2.072 202 E HA -0.209 4.216 4.350 0.125 0.000 0.191 202 E C 2.310 179.000 176.600 0.151 0.000 0.985 202 E CA 3.063 59.560 56.400 0.162 0.000 0.801 202 E CB -0.621 29.236 29.700 0.262 0.000 0.750 202 E HN -0.650 7.796 8.360 0.145 0.000 0.452 203 V N 0.083 120.078 119.914 0.134 0.000 2.407 203 V HA -0.434 3.714 4.120 0.046 0.000 0.248 203 V C 1.850 177.969 176.094 0.042 0.000 1.055 203 V CA 3.922 66.263 62.300 0.069 0.000 1.049 203 V CB -0.994 30.866 31.823 0.062 0.000 0.662 203 V HN -0.314 7.968 8.190 0.153 0.000 0.455 204 D N -0.404 120.025 120.400 0.048 0.000 2.097 204 D HA -0.207 4.449 4.640 0.026 0.000 0.195 204 D C 2.131 178.448 176.300 0.029 0.000 0.989 204 D CA 3.182 57.202 54.000 0.034 0.000 0.827 204 D CB -0.385 40.436 40.800 0.035 0.000 0.966 204 D HN -0.294 8.112 8.370 0.060 0.000 0.456 205 R N -1.313 119.210 120.500 0.040 0.000 2.073 205 R HA -0.182 4.174 4.340 0.027 0.000 0.234 205 R C 1.965 178.281 176.300 0.027 0.000 1.134 205 R CA 2.674 58.794 56.100 0.034 0.000 0.952 205 R CB 0.518 30.845 30.300 0.045 0.000 0.850 205 R HN -0.594 7.707 8.270 0.051 0.000 0.433 206 L N -5.913 115.329 121.223 0.032 0.000 2.357 206 L HA 0.083 4.433 4.340 0.018 0.000 0.211 206 L C -0.045 176.815 176.870 -0.016 0.000 1.075 206 L CA 0.105 54.955 54.840 0.017 0.000 0.830 206 L CB 1.171 43.251 42.059 0.036 0.000 0.996 206 L HN -0.494 7.762 8.230 0.044 0.000 0.467 207 G N -2.509 106.276 108.800 -0.025 0.000 2.716 207 G HA2 -0.275 3.698 3.960 -0.053 0.000 0.686 207 G HA3 -0.275 3.643 3.960 -0.070 0.000 0.686 207 G C -0.067 174.779 174.900 -0.090 0.000 1.337 207 G CA -0.568 44.496 45.100 -0.060 0.000 0.829 207 G HN -0.606 7.679 8.290 -0.009 0.000 0.599 208 I N 1.249 121.749 120.570 -0.118 0.000 2.454 208 I HA -0.268 3.852 4.170 -0.084 0.000 0.254 208 I C 1.200 177.253 176.117 -0.106 0.000 1.156 208 I CA 1.292 62.527 61.300 -0.109 0.000 1.433 208 I CB -0.236 37.713 38.000 -0.085 0.000 1.082 208 I HN 0.594 8.730 8.210 -0.123 0.000 0.432 209 G N -1.200 107.471 108.800 -0.215 0.000 2.433 209 G HA2 -0.318 3.648 3.960 0.009 0.000 0.216 209 G HA3 -0.318 3.546 3.960 -0.160 0.000 0.216 209 G C 1.489 176.386 174.900 -0.005 0.000 1.186 209 G CA 2.258 47.295 45.100 -0.104 0.000 0.779 209 G HN 0.115 8.221 8.290 -0.252 0.032 0.543 210 K N 1.787 122.155 120.400 -0.054 0.000 2.097 210 K HA -0.182 4.123 4.320 -0.025 0.000 0.205 210 K C 2.113 178.631 176.600 -0.138 0.000 1.050 210 K CA 1.975 58.231 56.287 -0.052 0.000 0.938 210 K CB -0.440 32.041 32.500 -0.032 0.000 0.718 210 K HN -0.479 7.728 8.250 -0.072 0.000 0.442 211 V N 0.425 120.196 119.914 -0.239 0.000 2.287 211 V HA -0.490 3.066 4.120 -0.939 0.000 0.248 211 V C 1.778 177.577 176.094 -0.491 0.000 1.053 211 V CA 4.603 66.541 62.300 -0.603 0.000 1.027 211 V CB -0.590 30.917 31.823 -0.527 0.000 0.646 211 V HN -0.189 7.895 8.190 -0.176 0.000 0.447 212 M N -1.971 117.526 119.600 -0.172 0.000 2.175 212 M HA -0.294 4.118 4.480 -0.113 0.000 0.264 212 M C 2.359 178.631 176.300 -0.047 0.000 1.063 212 M CA 1.756 57.013 55.300 -0.071 0.000 1.119 212 M CB -1.528 31.101 32.600 0.048 0.000 1.377 212 M HN -0.340 7.899 8.290 -0.084 0.000 0.415 213 E N 1.139 121.327 120.200 -0.020 0.000 2.058 213 E HA -0.475 3.884 4.350 0.014 0.000 0.194 213 E C 2.334 178.944 176.600 0.017 0.000 0.997 213 E CA 3.548 59.952 56.400 0.006 0.000 0.801 213 E CB -0.086 29.624 29.700 0.018 0.000 0.746 213 E HN -0.236 8.116 8.360 -0.012 0.000 0.450 214 E N -1.534 118.664 120.200 -0.003 0.000 2.072 214 E HA -0.279 4.146 4.350 0.124 0.000 0.191 214 E C 2.589 179.285 176.600 0.161 0.000 0.985 214 E CA 2.831 59.290 56.400 0.098 0.000 0.801 214 E CB -0.040 29.761 29.700 0.169 0.000 0.750 214 E HN -0.291 8.035 8.360 -0.057 0.000 0.452 215 T N 3.164 117.747 114.554 0.049 0.000 2.684 215 T HA -0.351 4.169 4.350 0.284 0.000 0.267 215 T C 1.996 176.799 174.700 0.172 0.000 1.036 215 T CA 4.988 67.179 62.100 0.153 0.000 1.148 215 T CB -0.061 68.830 68.868 0.038 0.000 0.863 215 T HN -0.095 8.077 8.240 -0.113 0.000 0.436 216 L N -0.900 120.377 121.223 0.090 0.000 2.240 216 L HA -0.176 4.213 4.340 0.082 0.000 0.211 216 L C 1.783 178.704 176.870 0.086 0.000 1.106 216 L CA 2.725 57.608 54.840 0.072 0.000 0.793 216 L CB -0.307 41.764 42.059 0.021 0.000 0.927 216 L HN -0.342 7.919 8.230 0.052 0.000 0.446 217 S N 0.153 115.914 115.700 0.101 0.000 2.387 217 S HA -0.305 4.200 4.470 0.057 0.000 0.226 217 S C 2.169 176.844 174.600 0.124 0.000 1.026 217 S CA 3.493 61.748 58.200 0.091 0.000 0.972 217 S CB -0.032 63.221 63.200 0.088 0.000 0.814 217 S HN -0.380 7.991 8.310 0.102 0.000 0.477 218 Y N 2.762 123.095 120.300 0.054 0.000 2.181 218 Y HA -0.330 4.243 4.550 0.039 0.000 0.288 218 Y C 0.800 176.722 175.900 0.037 0.000 1.146 218 Y CA 3.335 61.466 58.100 0.051 0.000 1.164 218 Y CB 0.226 38.736 38.460 0.084 0.000 0.982 218 Y HN -0.513 7.955 8.280 0.313 0.000 0.515 219 L N -5.937 115.383 121.223 0.163 0.000 2.249 219 L HA -0.225 4.104 4.340 -0.018 0.000 0.207 219 L C 1.314 178.181 176.870 -0.005 0.000 1.090 219 L CA 1.462 56.338 54.840 0.060 0.000 0.802 219 L CB 0.706 42.847 42.059 0.136 0.000 0.947 219 L HN -0.625 7.747 8.230 0.237 0.000 0.453 220 L N -5.527 115.702 121.223 0.011 0.000 2.766 220 L HA 0.468 4.938 4.340 -0.016 -0.139 0.242 220 L C 1.234 178.095 176.870 -0.016 0.000 1.136 220 L CA -0.685 54.151 54.840 -0.007 0.000 0.933 220 L CB 0.072 42.131 42.059 0.001 0.000 1.241 220 L HN -0.087 8.165 8.230 0.037 0.000 0.522 221 G N -0.475 108.312 108.800 -0.020 0.000 2.421 221 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.216 221 G HA3 -0.243 3.780 3.960 -0.020 -0.074 0.216 221 G C 0.602 175.484 174.900 -0.030 0.000 1.171 221 G CA 1.501 46.589 45.100 -0.019 0.000 0.775 221 G HN -0.427 7.849 8.290 -0.024 0.000 0.543 222 R N -0.758 119.713 120.500 -0.048 0.000 2.075 222 R HA -0.125 4.193 4.340 -0.037 0.000 0.232 222 R C -1.024 175.257 176.300 -0.032 0.000 1.126 222 R CA 1.719 57.793 56.100 -0.043 0.000 0.963 222 R CB 0.447 30.711 30.300 -0.060 0.000 0.858 222 R HN 0.254 8.486 8.270 -0.064 0.000 0.435 223 K N -6.154 114.227 120.400 -0.031 0.000 2.610 223 K HA 0.127 4.435 4.320 -0.019 0.000 0.278 223 K C -2.104 174.483 176.600 -0.021 0.000 0.964 223 K CA -1.390 54.883 56.287 -0.023 0.000 0.859 223 K CB 1.250 33.737 32.500 -0.020 0.000 1.434 223 K HN -0.714 7.515 8.250 -0.036 0.000 0.410 224 K N 1.712 122.101 120.400 -0.017 0.000 2.382 224 K HA -0.004 4.304 4.320 -0.019 0.000 0.275 224 K C -0.038 176.552 176.600 -0.016 0.000 1.009 224 K CA 0.066 56.342 56.287 -0.018 0.000 0.970 224 K CB -0.021 32.467 32.500 -0.020 0.000 0.934 224 K HN 0.280 8.520 8.250 -0.016 0.000 0.479 225 R N 0.276 120.766 120.500 -0.017 0.000 2.734 225 R HA 0.349 4.681 4.340 -0.014 0.000 0.271 225 R C -2.905 173.380 176.300 -0.025 0.000 1.021 225 R CA -3.036 53.054 56.100 -0.017 0.000 0.893 225 R CB 0.650 30.942 30.300 -0.012 0.000 1.244 225 R HN -0.117 8.142 8.270 -0.018 0.000 0.464 226 P HA 0.052 4.572 4.420 -0.050 -0.130 0.268 226 P C -1.970 175.339 177.300 0.015 0.000 1.205 226 P CA -0.347 62.723 63.100 -0.051 0.000 0.771 226 P CB 0.681 32.290 31.700 -0.153 0.000 0.858 227 I N 1.482 122.087 120.570 0.059 0.000 2.377 227 I HA 0.386 4.808 4.170 0.111 -0.185 0.293 227 I C -1.246 174.994 176.117 0.204 0.000 0.987 227 I CA -1.143 60.220 61.300 0.104 0.000 1.185 227 I CB 2.734 40.765 38.000 0.051 0.000 1.341 227 I HN -0.004 8.229 8.210 0.039 0.000 0.455 228 H N 8.166 127.336 119.070 0.167 0.000 2.541 228 H HA 0.537 5.416 4.556 0.214 -0.195 0.316 228 H C -1.743 173.666 175.328 0.134 0.000 1.043 228 H CA -1.871 54.303 56.048 0.209 0.000 1.232 228 H CB 2.290 32.228 29.762 0.294 0.000 1.406 228 H HN 0.687 9.140 8.280 0.287 0.000 0.469 229 L N 9.419 130.600 121.223 -0.070 0.000 2.257 229 L HA 0.678 5.263 4.340 0.109 -0.179 0.290 229 L C -2.466 174.400 176.870 -0.007 0.000 1.044 229 L CA -1.186 53.665 54.840 0.018 0.000 0.810 229 L CB 2.093 44.148 42.059 -0.006 0.000 1.193 229 L HN 0.400 8.498 8.230 -0.221 0.000 0.425 230 S N 6.985 122.730 115.700 0.076 0.000 2.461 230 S HA 0.247 4.712 4.470 -0.008 0.000 0.322 230 S C -1.941 172.544 174.600 -0.192 0.000 1.063 230 S CA -1.024 57.134 58.200 -0.071 0.000 1.120 230 S CB 0.743 63.770 63.200 -0.288 0.000 0.968 230 S HN 0.576 8.958 8.310 0.120 0.000 0.467 231 F N 9.942 129.744 119.950 -0.246 0.000 2.347 231 F HA 0.365 4.788 4.527 -0.174 0.000 0.366 231 F C -2.287 173.350 175.800 -0.271 0.000 1.107 231 F CA -1.501 56.375 58.000 -0.207 0.000 1.058 231 F CB 3.188 42.106 39.000 -0.136 0.000 1.236 231 F HN 0.586 8.897 8.300 0.018 0.000 0.456 232 D N 8.136 128.392 120.400 -0.240 0.000 2.280 232 D HA 0.271 4.930 4.640 -0.203 -0.140 0.243 232 D C 1.666 177.984 176.300 0.030 0.000 1.129 232 D CA -1.873 52.038 54.000 -0.148 0.000 0.848 232 D CB 1.646 42.423 40.800 -0.039 0.000 1.107 232 D HN 0.285 8.441 8.370 -0.357 0.000 0.471 233 V N 2.652 122.668 119.914 0.170 0.000 2.828 233 V HA -0.309 4.068 4.120 0.429 0.000 0.260 233 V C 0.781 176.980 176.094 0.175 0.000 1.101 233 V CA 2.815 65.266 62.300 0.252 0.000 1.123 233 V CB -0.835 31.104 31.823 0.194 0.000 0.704 233 V HN 0.139 8.402 8.190 0.122 0.000 0.493 234 D N -0.399 120.081 120.400 0.133 0.000 2.378 234 D HA -0.107 4.614 4.640 0.135 0.000 0.227 234 D C 1.500 177.841 176.300 0.069 0.000 1.012 234 D CA 1.008 55.085 54.000 0.130 0.000 0.905 234 D CB -1.076 39.836 40.800 0.186 0.000 0.895 234 D HN -0.300 8.404 8.370 0.129 -0.257 0.532 235 G N -0.651 108.151 108.800 0.004 0.000 2.422 235 G HA2 -0.250 3.683 3.960 -0.050 0.000 0.218 235 G HA3 -0.250 3.599 3.960 -0.185 0.000 0.218 235 G C -0.579 174.327 174.900 0.010 0.000 1.146 235 G CA 1.266 46.327 45.100 -0.066 0.000 0.769 235 G HN 0.013 8.128 8.290 -0.013 0.167 0.547 236 L N -1.469 119.810 121.223 0.093 0.000 2.436 236 L HA -0.073 4.494 4.340 0.163 -0.129 0.265 236 L C -0.051 176.948 176.870 0.215 0.000 1.168 236 L CA -0.339 54.613 54.840 0.188 0.000 0.815 236 L CB 0.245 42.462 42.059 0.262 0.000 1.109 236 L HN -0.868 7.417 8.230 0.107 0.009 0.462 237 D N 0.539 121.117 120.400 0.297 0.000 2.449 237 D HA -0.050 4.677 4.640 0.145 0.000 0.236 237 D C 0.503 176.905 176.300 0.171 0.000 1.149 237 D CA -0.121 54.013 54.000 0.222 0.000 0.878 237 D CB 1.442 42.389 40.800 0.245 0.000 1.198 237 D HN -0.165 8.420 8.370 0.358 0.000 0.446 238 P HA -0.062 4.405 4.420 0.079 0.000 0.228 238 P C -0.160 177.115 177.300 -0.042 0.000 1.151 238 P CA 1.153 64.279 63.100 0.043 0.000 0.770 238 P CB -0.036 31.683 31.700 0.031 0.000 0.786 239 S N -2.602 112.990 115.700 -0.179 0.000 2.507 239 S HA -0.200 4.113 4.470 -0.261 0.000 0.235 239 S C 1.845 176.108 174.600 -0.562 0.000 0.988 239 S CA 2.520 60.477 58.200 -0.404 0.000 0.944 239 S CB 0.158 62.996 63.200 -0.603 0.000 0.762 239 S HN -0.278 8.200 8.310 -0.157 -0.263 0.526 240 F N 0.429 120.432 119.950 0.090 0.000 2.553 240 F HA 0.225 4.818 4.527 0.110 0.000 0.282 240 F C -0.206 175.667 175.800 0.123 0.000 1.089 240 F CA 1.124 59.201 58.000 0.128 0.000 1.411 240 F CB 2.418 41.542 39.000 0.206 0.000 1.125 240 F HN -0.207 7.908 8.300 -0.037 0.163 0.610 241 T N -5.557 109.150 114.554 0.254 0.000 3.514 241 T HA 0.565 5.019 4.350 0.173 0.000 0.259 241 T C -0.898 173.875 174.700 0.122 0.000 1.466 241 T CA -3.693 58.518 62.100 0.185 0.000 1.562 241 T CB 0.693 69.684 68.868 0.205 0.000 0.924 241 T HN -0.571 7.815 8.240 0.244 0.000 0.678 242 P HA -0.078 4.376 4.420 0.056 0.000 0.221 242 P C -0.587 176.750 177.300 0.061 0.000 1.150 242 P CA 1.205 64.339 63.100 0.058 0.000 0.800 242 P CB 0.140 31.857 31.700 0.029 0.000 0.787 243 A N 0.307 123.166 122.820 0.065 0.000 3.037 243 A HA 0.133 4.484 4.320 0.052 0.000 0.272 243 A C -1.868 175.758 177.584 0.070 0.000 1.723 243 A CA -0.376 51.696 52.037 0.059 0.000 1.413 243 A CB -1.459 17.572 19.000 0.052 0.000 1.112 243 A HN -0.431 7.762 8.150 0.071 0.000 0.606 244 T N 0.121 114.721 114.554 0.076 0.000 2.840 244 T HA 0.318 4.829 4.350 0.086 -0.109 0.317 244 T C 0.034 174.790 174.700 0.093 0.000 1.401 244 T CA -1.541 60.614 62.100 0.091 0.000 1.028 244 T CB 1.396 70.331 68.868 0.111 0.000 1.317 244 T HN -0.595 7.636 8.240 0.071 0.052 0.495 245 G N 2.672 111.537 108.800 0.107 0.000 2.464 245 G HA2 0.122 4.128 3.960 0.076 0.000 0.217 245 G HA3 0.122 4.146 3.960 0.106 0.000 0.217 245 G C -0.108 174.859 174.900 0.113 0.000 1.138 245 G CA 0.991 46.151 45.100 0.100 0.000 0.793 245 G HN 0.620 8.981 8.290 0.120 0.000 0.539 246 T N 1.629 116.268 114.554 0.142 0.000 3.585 246 T HA 0.231 4.656 4.350 0.125 0.000 0.252 246 T C -2.630 172.194 174.700 0.206 0.000 1.382 246 T CA -2.729 59.463 62.100 0.153 0.000 1.584 246 T CB 0.691 69.613 68.868 0.091 0.000 0.892 246 T HN -0.369 7.965 8.240 0.156 0.000 0.671 247 P HA 0.041 4.539 4.420 0.130 0.000 0.271 247 P C -1.930 175.433 177.300 0.106 0.000 1.218 247 P CA -0.048 63.125 63.100 0.121 0.000 0.780 247 P CB 0.823 32.573 31.700 0.084 0.000 0.901 248 V N 2.692 122.650 119.914 0.074 0.000 2.612 248 V HA 0.206 4.355 4.120 0.048 0.000 0.301 248 V C -0.659 175.450 176.094 0.026 0.000 1.059 248 V CA -1.636 60.687 62.300 0.040 0.000 0.886 248 V CB 2.841 34.659 31.823 -0.009 0.000 1.007 248 V HN 0.292 8.525 8.190 0.072 0.000 0.426 249 V N 3.194 123.122 119.914 0.022 0.000 3.237 249 V HA -0.099 4.035 4.120 0.024 0.000 0.305 249 V C 1.273 177.379 176.094 0.021 0.000 1.096 249 V CA -0.140 62.172 62.300 0.020 0.000 1.130 249 V CB 0.151 31.982 31.823 0.013 0.000 1.048 249 V HN 0.250 8.453 8.190 0.022 0.000 0.484 250 G N 1.952 110.771 108.800 0.032 0.000 2.171 250 G HA2 -0.375 3.611 3.960 0.044 0.000 0.238 250 G HA3 -0.375 3.601 3.960 0.027 0.000 0.238 250 G C -0.752 174.179 174.900 0.052 0.000 1.039 250 G CA 0.020 45.143 45.100 0.038 0.000 0.759 250 G HN 0.033 8.500 8.290 0.033 -0.158 0.501 251 G N -1.782 107.064 108.800 0.076 0.000 2.563 251 G HA2 0.224 4.219 3.960 0.059 0.000 0.283 251 G HA3 0.224 4.314 3.960 0.104 -0.068 0.283 251 G C -0.591 174.381 174.900 0.121 0.000 1.309 251 G CA -1.399 43.755 45.100 0.090 0.000 1.022 251 G HN -0.510 8.134 8.290 0.082 -0.305 0.501 252 L N 0.234 121.520 121.223 0.104 0.000 2.485 252 L HA 0.097 4.649 4.340 0.079 -0.165 0.275 252 L C 1.333 178.281 176.870 0.130 0.000 1.207 252 L CA 0.590 55.486 54.840 0.093 0.000 0.855 252 L CB -0.016 42.078 42.059 0.058 0.000 1.114 252 L HN -0.247 8.033 8.230 0.084 0.000 0.485 253 T N -0.948 113.647 114.554 0.069 0.000 2.816 253 T HA 0.151 4.558 4.350 0.094 0.000 0.282 253 T C 1.014 175.507 174.700 -0.345 0.000 0.993 253 T CA -1.858 60.208 62.100 -0.057 0.000 0.994 253 T CB 2.496 71.378 68.868 0.022 0.000 1.025 253 T HN 0.034 8.627 8.240 0.056 -0.319 0.529 254 Y N 3.581 123.175 120.300 -1.176 0.000 2.114 254 Y HA -0.481 3.708 4.550 -0.602 0.000 0.282 254 Y C 1.619 177.325 175.900 -0.323 0.000 1.165 254 Y CA 4.799 62.423 58.100 -0.793 0.000 1.148 254 Y CB -0.061 37.793 38.460 -1.010 0.000 0.972 254 Y HN 0.509 7.686 8.280 -1.838 0.000 0.504 255 R N -3.006 117.449 120.500 -0.075 0.000 2.094 255 R HA -0.462 3.891 4.340 0.023 0.000 0.239 255 R C 2.418 178.706 176.300 -0.020 0.000 1.137 255 R CA 3.985 60.079 56.100 -0.011 0.000 0.943 255 R CB -0.603 29.706 30.300 0.016 0.000 0.850 255 R HN 0.158 8.377 8.270 -0.086 0.000 0.433 256 E N -1.228 118.961 120.200 -0.019 0.000 2.085 256 E HA -0.365 4.026 4.350 0.068 0.000 0.194 256 E C 2.591 179.222 176.600 0.052 0.000 0.994 256 E CA 2.620 59.039 56.400 0.032 0.000 0.801 256 E CB -0.407 29.304 29.700 0.018 0.000 0.743 256 E HN -0.697 7.638 8.360 -0.043 0.000 0.453 257 G N -0.848 107.944 108.800 -0.013 0.000 2.446 257 G HA2 -0.265 3.789 3.960 0.157 0.000 0.217 257 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.217 257 G C 1.438 176.308 174.900 -0.050 0.000 1.168 257 G CA 1.925 47.043 45.100 0.030 0.000 0.771 257 G HN -0.233 8.015 8.290 -0.069 0.000 0.551 258 L N 1.688 122.816 121.223 -0.158 0.000 2.093 258 L HA -0.201 4.023 4.340 -0.194 0.000 0.208 258 L C 2.101 178.945 176.870 -0.043 0.000 1.085 258 L CA 2.418 57.168 54.840 -0.151 0.000 0.755 258 L CB -0.275 41.681 42.059 -0.173 0.000 0.904 258 L HN -0.487 7.613 8.230 -0.216 0.000 0.435 259 Y N 0.675 120.928 120.300 -0.078 0.000 2.163 259 Y HA -0.293 4.230 4.550 -0.044 0.000 0.288 259 Y C 2.270 178.149 175.900 -0.035 0.000 1.136 259 Y CA 3.400 61.471 58.100 -0.048 0.000 1.147 259 Y CB 0.179 38.614 38.460 -0.041 0.000 0.987 259 Y HN -0.266 8.012 8.280 0.134 0.083 0.509 260 I N -2.321 118.268 120.570 0.032 0.000 2.151 260 I HA -0.664 3.484 4.170 -0.036 0.000 0.243 260 I C 1.880 177.943 176.117 -0.088 0.000 1.080 260 I CA 4.523 65.814 61.300 -0.015 0.000 1.339 260 I CB -0.081 37.974 38.000 0.092 0.000 1.039 260 I HN -0.040 8.247 8.210 0.128 0.000 0.409 261 T N -1.926 112.580 114.554 -0.081 0.000 2.896 261 T HA -0.260 4.035 4.350 -0.091 0.000 0.263 261 T C 2.074 176.693 174.700 -0.136 0.000 1.050 261 T CA 3.861 65.892 62.100 -0.115 0.000 1.140 261 T CB -0.064 68.704 68.868 -0.167 0.000 0.877 261 T HN -0.617 7.569 8.240 -0.062 0.017 0.457 262 E N 2.539 122.641 120.200 -0.163 0.000 2.085 262 E HA -0.366 3.939 4.350 -0.075 0.000 0.194 262 E C 2.395 178.909 176.600 -0.143 0.000 0.994 262 E CA 3.282 59.600 56.400 -0.136 0.000 0.801 262 E CB -0.163 29.436 29.700 -0.169 0.000 0.743 262 E HN -0.112 8.145 8.360 -0.173 0.000 0.453 263 E N -1.600 118.422 120.200 -0.296 0.000 2.106 263 E HA -0.232 3.969 4.350 -0.248 0.000 0.192 263 E C 2.669 179.178 176.600 -0.151 0.000 0.984 263 E CA 2.385 58.620 56.400 -0.275 0.000 0.806 263 E CB -0.295 29.157 29.700 -0.414 0.000 0.750 263 E HN -0.466 7.666 8.360 -0.380 0.000 0.458 264 I N -0.823 119.674 120.570 -0.120 0.000 2.315 264 I HA -0.429 3.690 4.170 -0.085 0.000 0.248 264 I C 2.291 178.355 176.117 -0.088 0.000 1.117 264 I CA 3.516 64.763 61.300 -0.088 0.000 1.404 264 I CB 0.110 38.068 38.000 -0.069 0.000 1.071 264 I HN -0.513 7.617 8.210 -0.133 0.000 0.419 265 Y N 1.992 122.186 120.300 -0.177 0.000 2.114 265 Y HA -0.436 4.004 4.550 -0.184 0.000 0.282 265 Y C 1.552 177.384 175.900 -0.113 0.000 1.165 265 Y CA 3.259 61.259 58.100 -0.166 0.000 1.148 265 Y CB -0.123 38.233 38.460 -0.173 0.000 0.972 265 Y HN -0.283 8.011 8.280 0.023 0.000 0.504 266 K N -2.035 118.202 120.400 -0.272 0.000 2.442 266 K HA -0.215 3.806 4.320 -0.497 0.000 0.198 266 K C 1.289 177.725 176.600 -0.272 0.000 1.042 266 K CA 2.309 58.405 56.287 -0.319 0.000 0.958 266 K CB -0.271 32.156 32.500 -0.122 0.000 0.766 266 K HN -0.382 7.800 8.250 -0.084 0.017 0.474 267 T N -5.311 109.112 114.554 -0.218 0.000 2.995 267 T HA -0.145 4.127 4.350 -0.130 0.000 0.269 267 T C 1.601 176.192 174.700 -0.180 0.000 1.091 267 T CA 0.625 62.632 62.100 -0.156 0.000 1.128 267 T CB 0.443 69.249 68.868 -0.104 0.000 0.891 267 T HN -0.574 7.397 8.240 -0.203 0.147 0.492 268 G N 0.904 109.545 108.800 -0.265 0.000 2.189 268 G HA2 -0.391 3.383 3.960 -0.310 0.000 0.267 268 G HA3 -0.391 3.451 3.960 -0.196 0.000 0.267 268 G C -0.685 174.137 174.900 -0.130 0.000 0.975 268 G CA 1.038 46.001 45.100 -0.229 0.000 0.644 268 G HN -0.244 7.781 8.290 -0.356 0.051 0.537 269 L N -1.501 119.657 121.223 -0.109 0.000 2.693 269 L HA 0.110 4.414 4.340 -0.059 0.000 0.235 269 L C -0.472 176.371 176.870 -0.046 0.000 1.127 269 L CA -1.096 53.705 54.840 -0.066 0.000 0.914 269 L CB 0.362 42.389 42.059 -0.053 0.000 1.193 269 L HN -0.883 7.250 8.230 -0.128 0.021 0.502 270 L N 0.347 121.534 121.223 -0.060 0.000 2.601 270 L HA -0.338 3.981 4.340 -0.034 0.000 0.277 270 L C -0.927 175.939 176.870 -0.007 0.000 1.219 270 L CA 1.359 56.171 54.840 -0.046 0.000 0.915 270 L CB 0.250 42.244 42.059 -0.108 0.000 1.160 270 L HN -0.443 7.735 8.230 -0.087 0.000 0.494 271 S N 5.012 120.724 115.700 0.020 0.000 2.619 271 S HA 0.127 4.599 4.470 0.003 0.000 0.238 271 S C -0.582 173.927 174.600 -0.152 0.000 1.068 271 S CA 0.139 58.352 58.200 0.021 0.000 0.926 271 S CB 2.032 65.323 63.200 0.151 0.000 0.864 271 S HN 0.728 9.062 8.310 0.039 0.000 0.493 272 G N 0.270 108.969 108.800 -0.168 0.000 2.746 272 G HA2 0.522 4.480 3.960 -0.276 0.000 0.297 272 G HA3 0.522 4.213 3.960 -0.448 0.000 0.297 272 G C -3.837 170.805 174.900 -0.430 0.000 1.426 272 G CA 0.285 45.178 45.100 -0.344 0.000 0.989 272 G HN -0.709 7.551 8.290 -0.051 0.000 0.520 273 L N 1.773 122.804 121.223 -0.319 0.000 2.431 273 L HA 1.068 5.420 4.340 -0.321 -0.204 0.266 273 L C -2.616 174.164 176.870 -0.150 0.000 0.978 273 L CA -1.354 53.341 54.840 -0.241 0.000 0.822 273 L CB 4.632 46.642 42.059 -0.082 0.000 1.310 273 L HN 0.634 8.732 8.230 -0.220 0.000 0.409 274 D N 6.147 126.484 120.400 -0.106 0.000 2.502 274 D HA 0.597 5.395 4.640 0.010 -0.152 0.249 274 D C -1.397 174.892 176.300 -0.018 0.000 1.092 274 D CA -0.966 53.027 54.000 -0.011 0.000 0.839 274 D CB 3.344 44.176 40.800 0.053 0.000 1.264 274 D HN 0.205 8.497 8.370 -0.131 0.000 0.511 275 I N 4.287 124.848 120.570 -0.014 0.000 2.405 275 I HA 0.357 4.651 4.170 -0.002 -0.126 0.280 275 I C -1.685 174.421 176.117 -0.019 0.000 1.027 275 I CA -1.716 59.573 61.300 -0.019 0.000 1.161 275 I CB -0.494 37.482 38.000 -0.040 0.000 1.300 275 I HN 0.511 8.721 8.210 0.000 0.000 0.463 276 M N 5.825 125.387 119.600 -0.063 0.000 2.662 276 M HA 0.618 5.076 4.480 -0.038 0.000 0.310 276 M C -0.132 176.143 176.300 -0.042 0.000 1.204 276 M CA -2.661 52.576 55.300 -0.106 0.000 0.891 276 M CB 3.168 35.535 32.600 -0.388 0.000 1.732 276 M HN 0.615 8.875 8.290 -0.051 0.000 0.467 277 E N -3.809 116.401 120.200 0.017 0.000 3.547 277 E HA -0.397 4.007 4.350 0.090 0.000 0.309 277 E C -1.378 175.267 176.600 0.074 0.000 0.855 277 E CA 1.272 57.715 56.400 0.071 0.000 1.122 277 E CB -1.085 28.674 29.700 0.099 0.000 1.569 277 E HN 0.278 8.654 8.360 0.027 0.000 0.429 278 V N -1.001 118.950 119.914 0.061 0.000 2.479 278 V HA -0.107 4.055 4.120 0.070 0.000 0.281 278 V C -0.538 175.589 176.094 0.054 0.000 1.031 278 V CA 0.808 63.145 62.300 0.061 0.000 1.038 278 V CB -0.917 30.937 31.823 0.052 0.000 0.981 278 V HN -0.250 7.918 8.190 0.052 0.054 0.478 279 N N 8.511 127.244 118.700 0.054 0.000 2.664 279 N HA 0.522 5.284 4.740 0.037 0.000 0.257 279 N C -1.990 173.543 175.510 0.038 0.000 1.108 279 N CA -2.964 50.111 53.050 0.042 0.000 0.822 279 N CB 1.595 40.106 38.487 0.040 0.000 1.199 279 N HN 0.127 8.543 8.380 0.060 0.000 0.529 280 P HA -0.147 4.294 4.420 0.035 0.000 0.218 280 P C 1.093 178.408 177.300 0.025 0.000 1.148 280 P CA 2.134 65.252 63.100 0.031 0.000 0.822 280 P CB 0.287 32.004 31.700 0.028 0.000 0.784 281 S N -1.715 113.997 115.700 0.021 0.000 2.500 281 S HA -0.255 4.224 4.470 0.015 0.000 0.239 281 S C 0.889 175.499 174.600 0.018 0.000 0.989 281 S CA 2.793 61.003 58.200 0.016 0.000 0.951 281 S CB -0.939 62.267 63.200 0.011 0.000 0.759 281 S HN -0.429 7.996 8.310 0.021 -0.102 0.523 282 L N -0.793 120.444 121.223 0.023 0.000 2.592 282 L HA 0.107 4.460 4.340 0.022 0.000 0.227 282 L C 0.481 177.367 176.870 0.027 0.000 1.127 282 L CA -0.229 54.626 54.840 0.026 0.000 0.884 282 L CB 0.102 42.181 42.059 0.033 0.000 1.065 282 L HN -0.756 7.433 8.230 0.026 0.057 0.457 283 G N -1.920 106.896 108.800 0.026 0.000 2.483 283 G HA2 -0.037 4.047 3.960 0.026 0.000 0.248 283 G HA3 -0.037 3.938 3.960 0.025 0.000 0.248 283 G C -0.884 174.026 174.900 0.018 0.000 1.248 283 G CA -0.424 44.690 45.100 0.024 0.000 0.838 283 G HN -0.653 7.507 8.290 0.027 0.146 0.566 284 K N -0.113 120.296 120.400 0.014 0.000 2.400 284 K HA -0.005 4.322 4.320 0.011 0.000 0.194 284 K C 0.251 176.856 176.600 0.008 0.000 1.033 284 K CA 0.858 57.151 56.287 0.010 0.000 1.021 284 K CB 0.307 32.812 32.500 0.008 0.000 0.808 284 K HN -0.214 8.381 8.250 0.015 -0.336 0.505 285 T N -6.624 107.935 114.554 0.009 0.000 2.843 285 T HA 0.424 4.779 4.350 0.007 0.000 0.302 285 T C -2.059 172.647 174.700 0.011 0.000 1.232 285 T CA -3.896 58.209 62.100 0.008 0.000 1.009 285 T CB 2.053 70.924 68.868 0.004 0.000 1.254 285 T HN -0.754 7.446 8.240 0.011 0.047 0.504 286 P HA -0.135 4.293 4.420 0.014 0.000 0.220 286 P C 0.693 178.002 177.300 0.014 0.000 1.148 286 P CA 2.141 65.249 63.100 0.012 0.000 0.803 286 P CB 0.190 31.896 31.700 0.010 0.000 0.782 287 E N -1.726 118.481 120.200 0.011 0.000 2.106 287 E HA -0.268 4.090 4.350 0.013 0.000 0.192 287 E C 2.173 178.783 176.600 0.016 0.000 0.984 287 E CA 2.812 59.219 56.400 0.012 0.000 0.806 287 E CB -0.619 29.084 29.700 0.005 0.000 0.750 287 E HN -0.121 8.221 8.360 0.008 0.023 0.458 288 E N -0.034 120.176 120.200 0.016 0.000 2.110 288 E HA -0.349 4.013 4.350 0.020 0.000 0.193 288 E C 2.367 178.987 176.600 0.034 0.000 0.988 288 E CA 3.031 59.444 56.400 0.021 0.000 0.804 288 E CB -0.097 29.613 29.700 0.017 0.000 0.745 288 E HN -0.813 7.555 8.360 0.012 0.000 0.458 289 V N -1.079 118.853 119.914 0.030 0.000 2.237 289 V HA -0.429 3.715 4.120 0.039 0.000 0.245 289 V C 2.054 178.171 176.094 0.040 0.000 1.046 289 V CA 4.275 66.596 62.300 0.035 0.000 1.007 289 V CB -0.857 30.983 31.823 0.028 0.000 0.638 289 V HN -0.723 7.482 8.190 0.025 0.000 0.445 290 T N -2.746 111.828 114.554 0.034 0.000 2.720 290 T HA -0.459 3.913 4.350 0.036 0.000 0.268 290 T C 1.649 176.380 174.700 0.052 0.000 1.037 290 T CA 4.078 66.200 62.100 0.037 0.000 1.144 290 T CB -0.357 68.528 68.868 0.027 0.000 0.864 290 T HN -0.458 7.799 8.240 0.029 0.000 0.444 291 R N 1.580 122.113 120.500 0.055 0.000 2.083 291 R HA -0.414 3.974 4.340 0.080 0.000 0.237 291 R C 2.014 178.384 176.300 0.116 0.000 1.137 291 R CA 4.114 60.261 56.100 0.080 0.000 0.951 291 R CB -0.076 30.262 30.300 0.064 0.000 0.851 291 R HN -0.380 7.900 8.270 0.045 0.017 0.434 292 T N 2.137 116.750 114.554 0.099 0.000 2.701 292 T HA -0.324 4.109 4.350 0.139 0.000 0.263 292 T C 2.054 176.810 174.700 0.093 0.000 1.040 292 T CA 4.672 66.837 62.100 0.108 0.000 1.147 292 T CB -0.037 68.883 68.868 0.088 0.000 0.865 292 T HN -0.503 7.784 8.240 0.079 0.000 0.426 293 V N 1.608 121.563 119.914 0.069 0.000 2.343 293 V HA -0.496 3.652 4.120 0.045 0.000 0.247 293 V C 1.907 178.034 176.094 0.055 0.000 1.051 293 V CA 4.298 66.629 62.300 0.051 0.000 1.036 293 V CB -0.759 31.089 31.823 0.041 0.000 0.654 293 V HN -0.118 8.111 8.190 0.064 0.000 0.451 294 N N -0.286 118.458 118.700 0.073 0.000 2.166 294 N HA -0.240 4.537 4.740 0.062 0.000 0.186 294 N C 2.673 178.256 175.510 0.122 0.000 1.019 294 N CA 3.352 56.453 53.050 0.085 0.000 0.856 294 N CB -0.405 38.135 38.487 0.088 0.000 0.993 294 N HN 0.158 8.583 8.380 0.075 0.000 0.426 295 T N 3.152 117.807 114.554 0.168 0.000 2.777 295 T HA -0.326 4.197 4.350 0.288 0.000 0.266 295 T C 1.203 175.904 174.700 0.002 0.000 1.040 295 T CA 4.855 67.067 62.100 0.187 0.000 1.141 295 T CB -0.109 68.923 68.868 0.274 0.000 0.868 295 T HN -0.375 7.963 8.240 0.164 0.000 0.444 296 A N 1.545 124.363 122.820 -0.003 0.000 1.933 296 A HA -0.242 3.988 4.320 -0.150 0.000 0.218 296 A C 1.962 179.485 177.584 -0.101 0.000 1.175 296 A CA 3.320 55.309 52.037 -0.079 0.000 0.628 296 A CB -0.884 18.103 19.000 -0.021 0.000 0.814 296 A HN -0.376 7.799 8.150 0.041 0.000 0.444 297 V N -1.196 118.693 119.914 -0.041 0.000 2.295 297 V HA -0.494 3.603 4.120 -0.038 0.000 0.246 297 V C 1.920 177.978 176.094 -0.060 0.000 1.049 297 V CA 3.719 65.998 62.300 -0.035 0.000 1.024 297 V CB -1.008 30.814 31.823 -0.003 0.000 0.648 297 V HN -0.066 8.117 8.190 -0.011 0.000 0.447 298 A N 0.121 122.905 122.820 -0.060 0.000 1.902 298 A HA -0.366 3.920 4.320 -0.057 0.000 0.217 298 A C 2.067 179.533 177.584 -0.195 0.000 1.181 298 A CA 3.226 55.208 52.037 -0.092 0.000 0.623 298 A CB -0.671 18.302 19.000 -0.045 0.000 0.818 298 A HN -0.270 7.863 8.150 -0.029 0.000 0.443 299 I N -1.962 118.438 120.570 -0.283 0.000 2.226 299 I HA -0.363 3.578 4.170 -0.383 0.000 0.245 299 I C 1.948 177.869 176.117 -0.328 0.000 1.100 299 I CA 2.578 63.637 61.300 -0.401 0.000 1.374 299 I CB -0.384 37.220 38.000 -0.660 0.000 1.057 299 I HN -0.232 7.818 8.210 -0.267 0.000 0.413 300 T N 2.312 116.727 114.554 -0.232 0.000 2.737 300 T HA -0.387 3.876 4.350 -0.146 0.000 0.265 300 T C 1.832 176.532 174.700 0.001 0.000 1.038 300 T CA 4.875 66.914 62.100 -0.101 0.000 1.144 300 T CB -0.048 68.810 68.868 -0.017 0.000 0.866 300 T HN -0.653 7.455 8.240 -0.219 0.000 0.434 301 L N -0.388 120.822 121.223 -0.021 0.000 2.131 301 L HA -0.404 3.992 4.340 0.094 0.000 0.210 301 L C 1.972 178.787 176.870 -0.091 0.000 1.092 301 L CA 2.834 57.675 54.840 0.002 0.000 0.759 301 L CB -0.661 41.380 42.059 -0.031 0.000 0.903 301 L HN -0.161 8.036 8.230 -0.055 0.000 0.435 302 A N -0.087 122.637 122.820 -0.161 0.000 1.933 302 A HA -0.157 4.211 4.320 -0.220 -0.180 0.218 302 A C 2.569 179.983 177.584 -0.283 0.000 1.175 302 A CA 2.695 54.602 52.037 -0.216 0.000 0.628 302 A CB -0.999 17.881 19.000 -0.201 0.000 0.814 302 A HN -0.321 7.734 8.150 -0.158 0.000 0.444 303 C N -3.707 115.388 119.300 -0.342 0.000 2.409 303 C HA -0.201 4.036 4.460 -0.372 0.000 0.284 303 C C 0.130 174.684 174.990 -0.727 0.000 1.354 303 C CA 2.846 61.533 59.018 -0.552 0.000 1.787 303 C CB -1.888 25.386 27.740 -0.776 0.000 1.900 303 C HN -0.507 7.541 8.230 -0.303 0.000 0.520 304 F N -3.251 116.575 119.950 -0.206 0.000 2.791 304 F HA 0.059 4.557 4.527 -0.048 0.000 0.308 304 F C -0.715 174.707 175.800 -0.630 0.000 1.138 304 F CA -1.342 56.523 58.000 -0.226 0.000 1.294 304 F CB -0.154 38.776 39.000 -0.117 0.000 0.975 304 F HN -0.784 7.192 8.300 -0.253 0.173 0.512 305 G N -2.530 105.588 108.800 -1.136 0.000 2.201 305 G HA2 -0.362 2.017 3.960 -2.635 0.000 0.212 305 G HA3 -0.362 2.860 3.960 -1.231 0.000 0.212 305 G C -0.760 173.793 174.900 -0.578 0.000 0.994 305 G CA -0.360 43.851 45.100 -1.482 0.000 0.644 305 G HN -0.581 7.072 8.290 -0.954 0.064 0.508 306 L N 1.889 122.914 121.223 -0.330 0.000 2.477 306 L HA -0.236 4.143 4.340 -0.145 -0.126 0.272 306 L C -1.510 175.269 176.870 -0.152 0.000 1.157 306 L CA 0.523 55.258 54.840 -0.176 0.000 0.889 306 L CB -0.002 41.988 42.059 -0.115 0.000 1.158 306 L HN -0.676 7.365 8.230 -0.315 0.000 0.473 307 A N 5.436 128.197 122.820 -0.098 0.000 2.342 307 A HA 0.511 4.791 4.320 -0.066 0.000 0.323 307 A C 0.323 177.892 177.584 -0.026 0.000 1.125 307 A CA -1.528 50.474 52.037 -0.058 0.000 0.785 307 A CB 2.710 21.690 19.000 -0.033 0.000 1.221 307 A HN 0.534 8.958 8.150 -0.085 -0.325 0.463 308 R N 3.984 124.479 120.500 -0.009 0.000 2.152 308 R HA -0.366 3.979 4.340 0.008 0.000 0.232 308 R C 1.098 177.406 176.300 0.013 0.000 1.117 308 R CA 2.453 58.559 56.100 0.010 0.000 0.981 308 R CB -0.080 30.238 30.300 0.030 0.000 0.870 308 R HN 0.219 8.733 8.270 -0.010 -0.251 0.451 309 E N -2.951 117.258 120.200 0.014 0.000 2.347 309 E HA -0.111 4.249 4.350 0.017 0.000 0.196 309 E C -0.034 176.572 176.600 0.009 0.000 1.008 309 E CA -0.229 56.180 56.400 0.016 0.000 0.852 309 E CB -0.212 29.502 29.700 0.023 0.000 0.783 309 E HN -0.180 8.165 8.360 0.015 0.023 0.505 310 G N -0.082 108.719 108.800 0.002 0.000 2.479 310 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.686 310 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.686 310 G C -2.146 172.754 174.900 -0.001 0.000 1.295 310 G CA -0.793 44.306 45.100 -0.002 0.000 0.922 310 G HN -0.409 7.706 8.290 -0.001 0.175 0.582 311 N N -0.805 117.893 118.700 -0.002 0.000 2.264 311 N HA 0.136 4.855 4.740 -0.035 0.000 0.288 311 N C -1.604 173.923 175.510 0.028 0.000 1.094 311 N CA -0.654 52.388 53.050 -0.014 0.000 0.817 311 N CB 1.492 39.962 38.487 -0.027 0.000 1.604 311 N HN -0.059 8.318 8.380 -0.004 0.000 0.473 312 H N -0.710 118.340 119.070 -0.033 0.000 3.016 312 H HA 0.367 4.908 4.556 -0.024 0.000 0.362 312 H C -1.647 173.754 175.328 0.122 0.000 1.233 312 H CA -0.570 55.465 56.048 -0.023 0.000 1.124 312 H CB 2.120 31.759 29.762 -0.206 0.000 1.850 312 H HN 0.257 8.436 8.280 -0.170 0.000 0.549 313 K N 1.056 121.694 120.400 0.397 0.000 2.126 313 K HA 0.273 4.668 4.320 0.125 0.000 0.257 313 K C -0.894 175.899 176.600 0.321 0.000 1.007 313 K CA -2.412 54.028 56.287 0.255 0.000 0.928 313 K CB -0.071 32.547 32.500 0.197 0.000 1.013 313 K HN 0.124 8.730 8.250 0.593 0.000 0.473 314 P HA 0.124 4.688 4.420 0.239 0.000 0.226 314 P C -1.614 175.766 177.300 0.135 0.000 1.783 314 P CA -0.037 63.163 63.100 0.167 0.000 0.980 314 P CB -1.104 30.643 31.700 0.078 0.000 1.967 315 I N 1.023 121.690 120.570 0.162 0.000 2.957 315 I HA 0.138 4.310 4.170 0.002 0.000 0.310 315 I C -0.833 175.313 176.117 0.048 0.000 1.063 315 I CA -1.815 59.487 61.300 0.004 0.000 1.033 315 I CB 3.396 41.275 38.000 -0.202 0.000 1.230 315 I HN -0.198 8.086 8.210 0.298 0.105 0.447 316 D N 3.163 123.554 120.400 -0.015 0.000 2.374 316 D HA -0.009 4.679 4.640 0.080 0.000 0.240 316 D C -0.655 175.631 176.300 -0.024 0.000 1.229 316 D CA -0.014 53.998 54.000 0.021 0.000 0.895 316 D CB -0.429 40.374 40.800 0.005 0.000 1.046 316 D HN 0.081 8.427 8.370 -0.040 0.000 0.498 317 Y N 2.456 122.728 120.300 -0.046 0.000 2.561 317 Y HA -0.194 4.342 4.550 -0.023 0.000 0.291 317 Y C 0.534 176.413 175.900 -0.034 0.000 1.141 317 Y CA 0.375 58.451 58.100 -0.040 0.000 1.303 317 Y CB 0.661 39.083 38.460 -0.064 0.000 1.015 317 Y HN 0.315 8.799 8.280 0.340 0.000 0.547 318 L N 0.000 121.281 121.223 0.097 0.000 2.949 318 L HA 0.000 4.372 4.340 0.053 0.000 0.249 318 L CA 0.000 54.869 54.840 0.048 0.000 0.813 318 L CB 0.000 42.078 42.059 0.031 0.000 0.961 318 L HN 0.000 8.440 8.230 0.095 -0.153 0.502