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 2xum_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAATAAEAVA SGSGEPREEA GALGPAWDES QLRSYSFPTR PIPRLSQSDP DATA SEQUENCE RAEELIENEE PVVLTDTNLV YPALKWDLEY LQENIGNGDF SVYSASTHKF DATA SEQUENCE LYYDEKKMAN FQNFKPRSNR EEMKFHEFVE KLQDIQQRGG EERLYLQQTL DATA SEQUENCE NDTVGRKIVM DFLGFNWNWI NKQQGKRGWG QLTSNLLLIG MEGNVTPAHY DATA SEQUENCE DEQQNFFAQI KGYKRCILFP PDQFECLYPY PVHHPCDRHS QVDFDNPDYE DATA SEQUENCE RFPNFQNVVG YETVVGPGDV LYIPMYWWHH IESLLNGGIT ITVNFWYKGA DATA SEQUENCE PTPKRIEYPL KAHQKVAIMR NIEKMLGEAL GNPQEVGPLL NTMIKGRYN 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 A N 1.169 123.991 122.820 0.003 0.000 1.972 2 A HA 0.094 4.414 4.320 0.001 0.000 0.219 2 A C 1.917 179.502 177.584 0.002 0.000 1.169 2 A CA 2.271 54.310 52.037 0.003 0.000 0.635 2 A CB -0.418 18.584 19.000 0.003 0.000 0.810 2 A HN 0.958 9.108 8.150 0.000 0.000 0.446 3 A N -0.135 122.685 122.820 -0.000 0.000 1.898 3 A HA -0.082 4.239 4.320 0.001 0.000 0.216 3 A C 2.466 180.049 177.584 -0.001 0.000 1.181 3 A CA 2.432 54.467 52.037 -0.002 0.000 0.620 3 A CB -1.334 17.664 19.000 -0.004 0.000 0.819 3 A HN 0.733 8.883 8.150 0.000 0.000 0.442 4 T N -2.092 112.462 114.554 0.000 0.000 2.777 4 T HA 0.084 4.434 4.350 0.001 0.000 0.266 4 T C 1.962 176.664 174.700 0.003 0.000 1.040 4 T CA 1.584 63.685 62.100 0.001 0.000 1.141 4 T CB -0.614 68.254 68.868 0.002 0.000 0.868 4 T HN 0.548 8.788 8.240 0.000 0.000 0.444 5 A N 1.795 124.617 122.820 0.004 0.000 1.972 5 A HA 0.357 4.678 4.320 0.001 0.000 0.219 5 A C 2.782 180.370 177.584 0.007 0.000 1.169 5 A CA 1.743 53.784 52.037 0.007 0.000 0.635 5 A CB -1.305 17.700 19.000 0.008 0.000 0.810 5 A HN 0.754 8.904 8.150 0.000 0.000 0.446 6 A N -0.396 122.426 122.820 0.004 0.000 1.898 6 A HA -0.115 4.206 4.320 0.001 0.000 0.216 6 A C 1.952 179.537 177.584 0.001 0.000 1.181 6 A CA 1.983 54.021 52.037 0.001 0.000 0.620 6 A CB -0.413 18.586 19.000 -0.002 0.000 0.819 6 A HN 0.458 8.608 8.150 0.000 0.000 0.442 7 E N 0.115 120.316 120.200 0.001 0.000 2.268 7 E HA 0.023 4.373 4.350 0.001 0.000 0.195 7 E C 1.885 178.489 176.600 0.006 0.000 0.995 7 E CA 1.134 57.536 56.400 0.002 0.000 0.836 7 E CB -0.353 29.347 29.700 0.001 0.000 0.763 7 E HN 0.495 8.855 8.360 0.000 0.000 0.491 8 A N -0.359 122.466 122.820 0.008 0.000 1.897 8 A HA -0.068 4.253 4.320 0.001 0.000 0.215 8 A C 2.340 179.933 177.584 0.016 0.000 1.181 8 A CA 1.309 53.353 52.037 0.012 0.000 0.620 8 A CB -0.434 18.573 19.000 0.011 0.000 0.821 8 A HN 0.172 8.322 8.150 0.000 0.000 0.443 9 V N -0.017 119.906 119.914 0.014 0.000 2.667 9 V HA -0.042 4.078 4.120 0.001 0.000 0.252 9 V C 2.009 178.110 176.094 0.012 0.000 1.065 9 V CA 1.124 63.434 62.300 0.017 0.000 1.083 9 V CB -1.038 30.794 31.823 0.015 0.000 0.692 9 V HN 0.533 8.723 8.190 0.000 0.000 0.468 10 A N 0.864 123.687 122.820 0.006 0.000 3.051 10 A HA 0.252 4.572 4.320 0.001 0.000 0.257 10 A C 1.454 179.050 177.584 0.020 0.000 1.785 10 A CA 0.589 52.629 52.037 0.005 0.000 1.420 10 A CB -0.665 18.337 19.000 0.002 0.000 1.063 10 A HN 0.571 8.721 8.150 0.000 0.000 0.630 11 S N -0.460 115.260 115.700 0.032 0.000 2.557 11 S HA 0.458 4.928 4.470 0.001 0.000 0.223 11 S C 1.247 175.889 174.600 0.070 0.000 0.969 11 S CA 0.360 58.588 58.200 0.046 0.000 0.927 11 S CB -0.493 62.735 63.200 0.046 0.000 0.806 11 S HN 1.967 10.277 8.310 0.000 0.000 0.489 12 G N 2.713 111.555 108.800 0.069 0.000 2.566 12 G HA2 -0.368 3.593 3.960 0.001 0.000 0.280 12 G HA3 -0.368 3.593 3.960 0.001 0.000 0.280 12 G C 0.825 175.799 174.900 0.123 0.000 1.225 12 G CA 0.391 45.547 45.100 0.094 0.000 0.966 12 G HN 1.131 9.421 8.290 0.000 0.000 0.560 13 S N 1.182 116.977 115.700 0.159 0.000 2.607 13 S HA 0.406 4.876 4.470 0.001 0.000 0.224 13 S C 1.972 176.730 174.600 0.263 0.000 0.969 13 S CA 1.035 59.357 58.200 0.203 0.000 0.927 13 S CB -0.488 62.818 63.200 0.177 0.000 0.772 13 S HN 2.738 11.048 8.310 0.000 0.000 0.533 14 G N 1.743 110.671 108.800 0.214 0.000 2.698 14 G HA2 -0.269 3.692 3.960 0.001 0.000 0.233 14 G HA3 -0.269 3.692 3.960 0.001 0.000 0.233 14 G C -0.493 174.481 174.900 0.123 0.000 1.352 14 G CA -0.194 44.995 45.100 0.148 0.000 0.879 14 G HN 0.559 8.849 8.290 0.000 0.000 0.567 15 E N 1.461 121.682 120.200 0.034 0.000 2.606 15 E HA 0.404 4.754 4.350 0.001 0.000 0.248 15 E C -1.694 174.815 176.600 -0.151 0.000 1.005 15 E CA -0.456 55.905 56.400 -0.064 0.000 0.946 15 E CB 0.214 29.884 29.700 -0.049 0.000 0.928 15 E HN 0.424 8.784 8.360 0.000 0.000 0.494 16 P HA 0.005 4.425 4.420 0.000 0.000 0.265 16 P C -0.712 176.325 177.300 -0.439 0.000 1.193 16 P CA 0.257 62.836 63.100 -0.870 0.000 0.765 16 P CB 0.529 31.383 31.700 -1.410 0.000 0.823 17 R N 2.049 122.394 120.500 -0.259 0.000 2.694 17 R HA 0.162 4.503 4.340 0.001 0.000 0.268 17 R C 0.443 176.669 176.300 -0.124 0.000 1.061 17 R CA -0.201 55.846 56.100 -0.088 0.000 1.133 17 R CB 0.381 30.722 30.300 0.068 0.000 1.020 17 R HN 0.452 8.722 8.270 0.000 0.000 0.475 18 E N 2.429 122.588 120.200 -0.068 0.000 2.174 18 E HA 0.080 4.430 4.350 0.001 0.000 0.282 18 E C -0.529 176.064 176.600 -0.012 0.000 0.992 18 E CA -0.242 56.124 56.400 -0.057 0.000 0.803 18 E CB 1.363 31.033 29.700 -0.051 0.000 1.090 18 E HN 0.425 8.785 8.360 0.000 0.000 0.396 19 E N 0.949 121.148 120.200 -0.001 0.000 2.366 19 E HA 0.331 4.681 4.350 0.001 0.000 0.266 19 E C -0.146 176.464 176.600 0.016 0.000 1.051 19 E CA -0.481 55.938 56.400 0.032 0.000 0.884 19 E CB 1.002 30.735 29.700 0.056 0.000 1.006 19 E HN 0.519 8.879 8.360 0.000 0.000 0.417 20 A N 1.838 124.670 122.820 0.020 0.000 2.555 20 A HA 0.337 4.657 4.320 0.001 0.000 0.233 20 A C 1.207 178.795 177.584 0.007 0.000 1.060 20 A CA 0.667 52.710 52.037 0.010 0.000 0.759 20 A CB -0.420 18.585 19.000 0.009 0.000 0.995 20 A HN 0.885 9.035 8.150 0.000 0.000 0.506 21 G N 0.163 108.964 108.800 0.002 0.000 2.160 21 G HA2 0.155 4.115 3.960 0.001 0.000 0.251 21 G HA3 0.155 4.115 3.960 0.001 0.000 0.251 21 G C 1.028 175.927 174.900 -0.001 0.000 1.008 21 G CA 1.052 46.152 45.100 0.001 0.000 0.724 21 G HN 2.697 10.986 8.290 0.000 0.000 0.514 22 A N -2.108 120.709 122.820 -0.005 0.000 2.783 22 A HA -0.215 4.105 4.320 0.001 0.000 0.292 22 A C 1.347 178.926 177.584 -0.009 0.000 1.495 22 A CA 1.709 53.740 52.037 -0.011 0.000 0.787 22 A CB -1.704 17.289 19.000 -0.012 0.000 1.017 22 A HN 1.446 9.596 8.150 0.000 0.000 0.516 23 L N -0.422 120.799 121.223 -0.003 0.000 2.682 23 L HA 0.400 4.741 4.340 0.001 0.000 0.240 23 L C 1.482 178.348 176.870 -0.008 0.000 1.178 23 L CA 0.652 55.493 54.840 0.002 0.000 0.970 23 L CB -0.876 41.193 42.059 0.016 0.000 1.179 23 L HN 1.459 9.689 8.230 0.000 0.000 0.435 24 G N 0.234 109.020 108.800 -0.024 0.000 2.795 24 G HA2 -0.185 3.775 3.960 0.001 0.000 0.664 24 G HA3 -0.185 3.775 3.960 0.001 0.000 0.664 24 G C -2.787 172.070 174.900 -0.072 0.000 1.381 24 G CA -1.273 43.801 45.100 -0.044 0.000 0.853 24 G HN 0.063 8.353 8.290 0.000 0.000 0.545 25 P HA 0.402 4.822 4.420 0.000 0.000 0.267 25 P C 1.041 178.220 177.300 -0.202 0.000 1.209 25 P CA 0.744 63.727 63.100 -0.194 0.000 0.763 25 P CB 0.893 32.460 31.700 -0.221 0.000 0.816 26 A N 4.981 127.649 122.820 -0.255 0.000 1.892 26 A HA -0.084 4.237 4.320 0.001 0.000 0.218 26 A C 0.623 178.034 177.584 -0.288 0.000 1.188 26 A CA 1.304 53.195 52.037 -0.243 0.000 0.631 26 A CB -0.721 18.182 19.000 -0.161 0.000 0.822 26 A HN 0.738 8.888 8.150 0.000 0.000 0.447 27 W N -1.711 119.393 121.300 -0.326 0.000 2.988 27 W HA 0.570 5.231 4.660 0.000 0.000 0.355 27 W C -1.818 174.623 176.519 -0.130 0.000 1.233 27 W CA -0.579 56.613 57.345 -0.255 0.000 1.176 27 W CB -0.029 29.239 29.460 -0.320 0.000 1.477 27 W HN 0.317 8.497 8.180 0.000 0.000 0.582 28 D N -1.647 118.861 120.400 0.180 0.000 2.523 28 D HA 0.222 4.863 4.640 0.001 0.000 0.236 28 D C 0.644 177.116 176.300 0.287 0.000 1.094 28 D CA -0.606 53.431 54.000 0.062 0.000 0.942 28 D CB 2.023 42.813 40.800 -0.018 0.000 1.447 28 D HN 0.213 8.583 8.370 0.000 0.000 0.479 29 E N 0.024 120.331 120.200 0.177 0.000 2.130 29 E HA -0.215 4.135 4.350 0.001 0.000 0.196 29 E C 1.800 178.482 176.600 0.136 0.000 0.998 29 E CA 1.712 58.233 56.400 0.203 0.000 0.806 29 E CB -0.258 29.505 29.700 0.105 0.000 0.738 29 E HN 0.600 8.960 8.360 0.000 0.000 0.459 30 S N 0.049 115.804 115.700 0.091 0.000 2.547 30 S HA -0.124 4.346 4.470 0.001 0.000 0.235 30 S C 1.590 176.226 174.600 0.059 0.000 0.980 30 S CA 0.689 58.922 58.200 0.055 0.000 0.941 30 S CB -0.098 63.124 63.200 0.035 0.000 0.763 30 S HN 0.255 8.565 8.310 0.000 0.000 0.532 31 Q N -0.257 119.603 119.800 0.100 0.000 2.424 31 Q HA 0.280 4.620 4.340 0.001 0.000 0.204 31 Q C -0.725 175.308 176.000 0.055 0.000 0.933 31 Q CA -0.035 55.818 55.803 0.083 0.000 0.929 31 Q CB 0.071 28.880 28.738 0.119 0.000 1.037 31 Q HN 0.405 8.675 8.270 0.000 0.000 0.511 32 L N 1.296 122.553 121.223 0.057 0.000 2.312 32 L HA 0.237 4.577 4.340 0.001 0.000 0.281 32 L C 0.350 177.203 176.870 -0.029 0.000 1.070 32 L CA 0.126 54.982 54.840 0.028 0.000 0.805 32 L CB 0.927 43.014 42.059 0.047 0.000 1.174 32 L HN -0.022 8.208 8.230 0.000 0.000 0.434 33 R N 0.838 121.302 120.500 -0.060 0.000 2.679 33 R HA 0.382 4.723 4.340 0.001 0.000 0.269 33 R C -0.052 175.950 176.300 -0.497 0.000 1.076 33 R CA -0.301 55.645 56.100 -0.258 0.000 1.160 33 R CB 0.550 30.698 30.300 -0.254 0.000 1.054 33 R HN 0.759 9.029 8.270 0.000 0.000 0.507 34 S N 1.357 116.726 115.700 -0.551 0.000 2.462 34 S HA 0.484 4.955 4.470 0.001 0.000 0.294 34 S C -0.994 173.216 174.600 -0.650 0.000 1.144 34 S CA -0.781 57.139 58.200 -0.467 0.000 1.088 34 S CB 0.696 63.766 63.200 -0.216 0.000 1.009 34 S HN 0.405 8.715 8.310 0.000 0.000 0.484 35 Y N 0.441 120.643 120.300 -0.164 0.000 2.662 35 Y HA 0.519 5.069 4.550 0.000 0.000 0.335 35 Y C 1.493 177.196 175.900 -0.329 0.000 1.066 35 Y CA -1.292 56.647 58.100 -0.267 0.000 1.116 35 Y CB 1.509 39.617 38.460 -0.588 0.000 1.308 35 Y HN 0.749 9.029 8.280 0.000 0.000 0.502 36 S N -0.390 115.298 115.700 -0.019 0.000 2.593 36 S HA 0.159 4.629 4.470 0.001 0.000 0.217 36 S C -0.214 174.390 174.600 0.007 0.000 0.966 36 S CA -0.098 58.142 58.200 0.067 0.000 0.914 36 S CB -0.892 62.489 63.200 0.302 0.000 0.776 36 S HN 0.401 8.711 8.310 0.000 0.000 0.523 37 F N 1.016 120.970 119.950 0.007 0.000 2.538 37 F HA 0.894 5.421 4.527 0.000 0.000 0.325 37 F C -2.827 172.965 175.800 -0.014 0.000 1.066 37 F CA -3.232 54.718 58.000 -0.083 0.000 0.946 37 F CB -0.106 38.757 39.000 -0.228 0.000 1.199 37 F HN -0.226 8.074 8.300 0.000 0.000 0.473 38 P HA 0.387 4.807 4.420 0.000 0.000 0.276 38 P C -0.949 176.451 177.300 0.167 0.000 1.244 38 P CA -0.303 62.854 63.100 0.096 0.000 0.801 38 P CB 1.531 33.255 31.700 0.039 0.000 1.006 39 T N -2.649 111.953 114.554 0.079 0.000 2.900 39 T HA 0.564 4.914 4.350 0.001 0.000 0.303 39 T C -0.545 174.141 174.700 -0.022 0.000 1.142 39 T CA -0.909 61.215 62.100 0.040 0.000 1.007 39 T CB 1.850 70.779 68.868 0.102 0.000 1.156 39 T HN 0.452 8.692 8.240 0.000 0.000 0.490 40 R N 1.414 121.852 120.500 -0.103 0.000 2.664 40 R HA 0.776 5.116 4.340 0.001 0.000 0.286 40 R C -3.131 173.197 176.300 0.047 0.000 0.967 40 R CA -1.804 54.253 56.100 -0.070 0.000 0.933 40 R CB 0.773 30.945 30.300 -0.213 0.000 1.146 40 R HN 0.767 9.037 8.270 0.000 0.000 0.468 41 P HA 0.234 4.654 4.420 0.000 0.000 0.271 41 P C -0.407 177.013 177.300 0.200 0.000 1.216 41 P CA -0.035 63.149 63.100 0.139 0.000 0.771 41 P CB 0.230 32.000 31.700 0.116 0.000 0.864 42 I N 5.400 126.080 120.570 0.183 0.000 2.496 42 I HA 0.135 4.305 4.170 0.001 0.000 0.285 42 I C -1.768 174.411 176.117 0.103 0.000 1.080 42 I CA -1.985 59.401 61.300 0.143 0.000 1.404 42 I CB 0.213 38.262 38.000 0.082 0.000 1.403 42 I HN 0.201 8.411 8.210 0.000 0.000 0.539 43 P HA 0.053 4.473 4.420 0.000 0.000 0.265 43 P C -0.842 176.494 177.300 0.059 0.000 1.193 43 P CA -0.193 62.948 63.100 0.068 0.000 0.765 43 P CB 0.379 32.112 31.700 0.055 0.000 0.823 44 R N 4.228 124.763 120.500 0.058 0.000 2.320 44 R HA 0.535 4.875 4.340 0.001 0.000 0.319 44 R C -1.318 175.001 176.300 0.032 0.000 0.969 44 R CA -0.415 55.715 56.100 0.051 0.000 0.857 44 R CB 0.083 30.423 30.300 0.067 0.000 1.160 44 R HN 0.449 8.719 8.270 0.000 0.000 0.491 45 L N 1.725 122.959 121.223 0.018 0.000 2.327 45 L HA 0.454 4.794 4.340 0.001 0.000 0.258 45 L C -0.025 176.831 176.870 -0.023 0.000 1.024 45 L CA -1.190 53.653 54.840 0.005 0.000 0.825 45 L CB 2.246 44.314 42.059 0.015 0.000 1.386 45 L HN 0.572 8.802 8.230 0.000 0.000 0.417 46 S N 0.365 116.046 115.700 -0.031 0.000 2.565 46 S HA 0.006 4.476 4.470 0.001 0.000 0.276 46 S C 0.821 175.387 174.600 -0.058 0.000 1.326 46 S CA -0.288 57.876 58.200 -0.060 0.000 1.045 46 S CB 1.076 64.244 63.200 -0.053 0.000 0.918 46 S HN 0.729 9.039 8.310 0.000 0.000 0.505 47 Q N 3.441 123.176 119.800 -0.109 0.000 2.181 47 Q HA -0.129 4.211 4.340 0.001 0.000 0.205 47 Q C 1.697 177.697 176.000 0.000 0.000 0.980 47 Q CA 2.490 58.246 55.803 -0.078 0.000 0.862 47 Q CB -0.812 27.759 28.738 -0.280 0.000 0.905 47 Q HN 0.834 9.104 8.270 0.000 0.000 0.429 48 S N -0.115 115.566 115.700 -0.031 0.000 2.561 48 S HA -0.034 4.436 4.470 0.001 0.000 0.225 48 S C 0.574 175.169 174.600 -0.009 0.000 0.977 48 S CA 0.125 58.318 58.200 -0.013 0.000 0.926 48 S CB -0.120 63.062 63.200 -0.030 0.000 0.769 48 S HN 0.324 8.634 8.310 0.000 0.000 0.533 49 D N 3.573 123.967 120.400 -0.009 0.000 2.401 49 D HA 0.137 4.777 4.640 0.001 0.000 0.254 49 D C -1.233 175.068 176.300 0.003 0.000 1.192 49 D CA -1.838 52.160 54.000 -0.004 0.000 0.885 49 D CB 1.540 42.339 40.800 -0.002 0.000 1.147 49 D HN 0.103 8.473 8.370 0.000 0.000 0.478 50 P HA -0.181 4.239 4.420 0.000 0.000 0.218 50 P C 1.393 178.694 177.300 0.001 0.000 1.146 50 P CA 0.792 63.891 63.100 -0.003 0.000 0.813 50 P CB 0.312 32.010 31.700 -0.005 0.000 0.778 51 R N 0.159 120.664 120.500 0.008 0.000 2.096 51 R HA -0.071 4.270 4.340 0.001 0.000 0.235 51 R C 2.264 178.574 176.300 0.018 0.000 1.127 51 R CA 1.458 57.566 56.100 0.014 0.000 0.968 51 R CB -0.682 29.630 30.300 0.019 0.000 0.861 51 R HN 0.066 8.336 8.270 0.000 0.000 0.440 52 A N 0.735 123.568 122.820 0.021 0.000 1.902 52 A HA -0.205 4.116 4.320 0.001 0.000 0.217 52 A C 1.953 179.551 177.584 0.024 0.000 1.181 52 A CA 1.706 53.764 52.037 0.035 0.000 0.623 52 A CB -0.476 18.550 19.000 0.044 0.000 0.818 52 A HN 0.392 8.542 8.150 0.000 0.000 0.443 53 E N -0.203 120.000 120.200 0.005 0.000 2.077 53 E HA -0.201 4.149 4.350 0.001 0.000 0.193 53 E C 1.964 178.539 176.600 -0.040 0.000 0.989 53 E CA 1.582 57.963 56.400 -0.032 0.000 0.800 53 E CB -0.192 29.485 29.700 -0.039 0.000 0.746 53 E HN 0.746 9.106 8.360 0.000 0.000 0.452 54 E N -0.358 119.832 120.200 -0.016 0.000 2.077 54 E HA -0.175 4.175 4.350 0.001 0.000 0.193 54 E C 2.012 178.615 176.600 0.006 0.000 0.989 54 E CA 0.994 57.389 56.400 -0.007 0.000 0.800 54 E CB -0.083 29.620 29.700 0.005 0.000 0.746 54 E HN 0.277 8.637 8.360 0.000 0.000 0.452 55 L N 0.497 121.729 121.223 0.015 0.000 2.027 55 L HA -0.172 4.169 4.340 0.001 0.000 0.206 55 L C 2.501 179.400 176.870 0.050 0.000 1.074 55 L CA 0.936 55.795 54.840 0.031 0.000 0.745 55 L CB -0.339 41.740 42.059 0.033 0.000 0.898 55 L HN 0.243 8.473 8.230 0.000 0.000 0.433 56 I N -0.315 120.251 120.570 -0.006 0.000 2.226 56 I HA -0.272 3.898 4.170 0.001 0.000 0.245 56 I C 2.595 178.655 176.117 -0.095 0.000 1.100 56 I CA 1.123 62.328 61.300 -0.159 0.000 1.374 56 I CB -0.288 37.516 38.000 -0.326 0.000 1.057 56 I HN 0.254 8.464 8.210 0.000 0.000 0.413 57 E N 1.834 121.986 120.200 -0.079 0.000 2.085 57 E HA -0.237 4.113 4.350 0.001 0.000 0.194 57 E C 1.534 178.151 176.600 0.028 0.000 0.994 57 E CA 1.788 58.156 56.400 -0.053 0.000 0.801 57 E CB -0.305 29.361 29.700 -0.057 0.000 0.743 57 E HN 0.475 8.835 8.360 0.000 0.000 0.453 58 N N 0.549 119.280 118.700 0.053 0.000 2.449 58 N HA 0.016 4.757 4.740 0.001 0.000 0.191 58 N C -0.831 174.765 175.510 0.143 0.000 1.161 58 N CA 0.499 53.604 53.050 0.091 0.000 0.863 58 N CB 0.182 38.715 38.487 0.077 0.000 0.980 58 N HN 0.163 8.543 8.380 0.000 0.000 0.458 59 E N 0.246 120.555 120.200 0.181 0.000 2.230 59 E HA -0.231 4.119 4.350 0.001 0.000 0.206 59 E C -0.949 175.671 176.600 0.032 0.000 1.309 59 E CA 0.590 57.134 56.400 0.241 0.000 0.697 59 E CB -1.491 28.351 29.700 0.235 0.000 1.146 59 E HN 0.552 8.912 8.360 0.000 0.000 0.363 60 E N 0.581 120.754 120.200 -0.045 0.000 2.238 60 E HA 0.345 4.696 4.350 0.001 0.000 0.267 60 E C -2.413 173.922 176.600 -0.441 0.000 0.887 60 E CA -2.351 53.824 56.400 -0.375 0.000 0.769 60 E CB 1.870 31.489 29.700 -0.134 0.000 1.187 60 E HN -0.046 8.314 8.360 0.000 0.000 0.416 61 P HA 0.035 4.455 4.420 0.000 0.000 0.271 61 P C -0.937 176.256 177.300 -0.177 0.000 1.216 61 P CA -0.079 62.702 63.100 -0.533 0.000 0.776 61 P CB 0.997 32.316 31.700 -0.634 0.000 0.881 62 V N 3.585 123.501 119.914 0.003 0.000 2.932 62 V HA 0.275 4.395 4.120 0.001 0.000 0.307 62 V C -1.048 175.105 176.094 0.098 0.000 1.147 62 V CA -0.893 61.443 62.300 0.060 0.000 0.951 62 V CB 2.699 34.580 31.823 0.097 0.000 1.031 62 V HN 0.190 8.380 8.190 0.000 0.000 0.426 63 V N 7.414 127.369 119.914 0.070 0.000 2.383 63 V HA 0.465 4.586 4.120 0.001 0.000 0.275 63 V C -0.103 176.015 176.094 0.039 0.000 1.036 63 V CA -0.351 61.990 62.300 0.069 0.000 0.889 63 V CB 1.203 33.063 31.823 0.062 0.000 0.985 63 V HN 0.688 8.878 8.190 0.000 0.000 0.459 64 L N 4.775 126.005 121.223 0.012 0.000 2.275 64 L HA 0.419 4.759 4.340 0.001 0.000 0.288 64 L C 1.399 178.191 176.870 -0.130 0.000 1.046 64 L CA -0.118 54.674 54.840 -0.080 0.000 0.805 64 L CB 1.561 43.521 42.059 -0.166 0.000 1.193 64 L HN 0.803 9.033 8.230 0.000 0.000 0.426 65 T N -3.432 111.049 114.554 -0.122 0.000 3.037 65 T HA 0.031 4.382 4.350 0.001 0.000 0.251 65 T C 0.523 175.126 174.700 -0.163 0.000 1.079 65 T CA 0.466 62.501 62.100 -0.108 0.000 1.067 65 T CB -0.062 68.772 68.868 -0.057 0.000 0.948 65 T HN 0.678 8.918 8.240 0.000 0.000 0.496 66 D N 0.983 121.246 120.400 -0.230 0.000 2.837 66 D HA 0.090 4.730 4.640 0.001 0.000 0.340 66 D C 1.308 177.376 176.300 -0.387 0.000 1.451 66 D CA 0.156 54.002 54.000 -0.256 0.000 0.798 66 D CB -0.360 40.326 40.800 -0.191 0.000 1.169 66 D HN 0.371 8.741 8.370 0.000 0.000 0.449 67 T N -2.922 111.303 114.554 -0.548 0.000 2.904 67 T HA -0.131 4.219 4.350 0.001 0.000 0.267 67 T C 0.989 175.319 174.700 -0.617 0.000 1.059 67 T CA 0.535 62.123 62.100 -0.853 0.000 1.137 67 T CB -0.465 67.616 68.868 -1.311 0.000 0.879 67 T HN 0.146 8.386 8.240 0.000 0.000 0.467 68 N N 0.199 118.631 118.700 -0.447 0.000 2.741 68 N HA -0.145 4.596 4.740 0.001 0.000 0.250 68 N C 0.615 175.914 175.510 -0.350 0.000 1.115 68 N CA 0.793 53.648 53.050 -0.326 0.000 0.724 68 N CB -1.562 36.731 38.487 -0.323 0.000 1.090 68 N HN 0.397 8.777 8.380 0.000 0.000 0.558 69 L N 1.003 121.925 121.223 -0.502 0.000 1.989 69 L HA -0.107 4.233 4.340 0.001 0.000 0.211 69 L C 1.733 178.188 176.870 -0.691 0.000 1.071 69 L CA 2.342 56.827 54.840 -0.591 0.000 0.749 69 L CB -0.203 41.438 42.059 -0.698 0.000 0.890 69 L HN 0.268 8.498 8.230 0.000 0.000 0.431 70 V N -3.474 116.012 119.914 -0.714 0.000 2.887 70 V HA 0.135 4.255 4.120 0.001 0.000 0.370 70 V C 1.515 177.278 176.094 -0.551 0.000 1.322 70 V CA -0.305 61.384 62.300 -1.019 0.000 1.267 70 V CB -1.448 29.692 31.823 -1.139 0.000 1.344 70 V HN 0.490 8.680 8.190 0.000 0.000 0.573 71 Y N 3.067 123.117 120.300 -0.416 0.000 2.069 71 Y HA -0.116 4.432 4.550 -0.002 0.000 0.278 71 Y C -0.627 175.133 175.900 -0.233 0.000 1.175 71 Y CA 2.725 60.657 58.100 -0.280 0.000 1.134 71 Y CB -1.468 36.870 38.460 -0.203 0.000 0.965 71 Y HN 0.417 8.697 8.280 0.000 0.000 0.498 72 P HA -0.042 4.378 4.420 0.000 0.000 0.226 72 P C 0.891 177.924 177.300 -0.444 0.000 1.153 72 P CA 1.918 64.801 63.100 -0.362 0.000 0.777 72 P CB -0.256 31.444 31.700 -0.001 0.000 0.794 73 A N -1.019 121.403 122.820 -0.663 0.000 2.251 73 A HA 0.072 4.392 4.320 0.001 0.000 0.209 73 A C 1.828 178.802 177.584 -1.016 0.000 1.187 73 A CA 0.290 51.434 52.037 -1.488 0.000 0.823 73 A CB -1.219 16.661 19.000 -1.866 0.000 0.846 73 A HN 0.129 8.279 8.150 0.000 0.000 0.486 74 L N -0.320 120.530 121.223 -0.621 0.000 2.376 74 L HA -0.129 4.211 4.340 0.001 0.000 0.219 74 L C 2.241 178.943 176.870 -0.280 0.000 1.133 74 L CA 1.502 56.104 54.840 -0.397 0.000 0.816 74 L CB -0.233 41.629 42.059 -0.329 0.000 0.933 74 L HN 0.568 8.798 8.230 0.000 0.000 0.449 75 K N -1.695 118.516 120.400 -0.316 0.000 2.444 75 K HA -0.050 4.270 4.320 0.001 0.000 0.193 75 K C -0.225 176.305 176.600 -0.117 0.000 1.024 75 K CA -0.314 55.836 56.287 -0.228 0.000 1.077 75 K CB -0.031 32.283 32.500 -0.310 0.000 0.833 75 K HN -0.025 8.225 8.250 0.000 0.000 0.517 76 W N 3.960 125.099 121.300 -0.269 0.000 2.303 76 W HA 0.142 4.802 4.660 0.000 0.000 0.318 76 W C -0.044 176.468 176.519 -0.012 0.000 1.362 76 W CA -0.905 56.369 57.345 -0.118 0.000 1.234 76 W CB 0.217 29.675 29.460 -0.004 0.000 1.248 76 W HN 0.344 8.524 8.180 0.000 0.000 0.546 77 D N -0.072 120.486 120.400 0.264 0.000 2.781 77 D HA 0.307 4.947 4.640 0.001 0.000 0.295 77 D C 0.762 177.194 176.300 0.219 0.000 1.143 77 D CA -0.763 53.361 54.000 0.206 0.000 1.076 77 D CB 0.547 41.432 40.800 0.142 0.000 1.444 77 D HN 0.145 8.515 8.370 0.000 0.000 0.567 78 L N -0.612 120.732 121.223 0.202 0.000 2.046 78 L HA -0.086 4.254 4.340 0.001 0.000 0.208 78 L C 2.424 179.422 176.870 0.213 0.000 1.077 78 L CA 1.604 56.594 54.840 0.250 0.000 0.747 78 L CB -0.394 41.759 42.059 0.156 0.000 0.896 78 L HN 0.591 8.821 8.230 0.000 0.000 0.432 79 E N -0.322 119.966 120.200 0.147 0.000 2.047 79 E HA -0.285 4.065 4.350 0.001 0.000 0.191 79 E C 2.232 178.881 176.600 0.081 0.000 0.987 79 E CA 1.351 57.815 56.400 0.107 0.000 0.799 79 E CB -0.216 29.539 29.700 0.093 0.000 0.752 79 E HN 0.421 8.781 8.360 0.000 0.000 0.449 80 Y N 0.950 121.242 120.300 -0.013 0.000 2.181 80 Y HA -0.195 4.356 4.550 0.002 0.000 0.288 80 Y C 1.896 177.674 175.900 -0.204 0.000 1.146 80 Y CA 1.655 59.714 58.100 -0.068 0.000 1.164 80 Y CB -0.062 38.389 38.460 -0.016 0.000 0.982 80 Y HN 0.048 8.328 8.280 0.000 0.000 0.515 81 L N -0.110 121.006 121.223 -0.179 0.000 2.072 81 L HA -0.222 4.118 4.340 0.001 0.000 0.205 81 L C 2.646 179.079 176.870 -0.728 0.000 1.079 81 L CA 1.688 56.171 54.840 -0.595 0.000 0.752 81 L CB -0.667 40.982 42.059 -0.684 0.000 0.906 81 L HN 0.271 8.501 8.230 0.000 0.000 0.436 82 Q N 0.138 119.743 119.800 -0.324 0.000 2.181 82 Q HA -0.285 4.056 4.340 0.001 0.000 0.205 82 Q C 2.019 177.936 176.000 -0.138 0.000 0.980 82 Q CA 1.829 57.598 55.803 -0.055 0.000 0.862 82 Q CB 0.140 29.006 28.738 0.214 0.000 0.905 82 Q HN 0.318 8.588 8.270 0.000 0.000 0.429 83 E N -0.020 120.057 120.200 -0.205 0.000 2.158 83 E HA -0.084 4.267 4.350 0.001 0.000 0.191 83 E C 0.950 177.380 176.600 -0.285 0.000 0.982 83 E CA 1.233 57.506 56.400 -0.211 0.000 0.823 83 E CB 0.253 29.826 29.700 -0.211 0.000 0.766 83 E HN 0.382 8.742 8.360 0.000 0.000 0.468 84 N N -0.700 117.743 118.700 -0.428 0.000 2.239 84 N HA 0.084 4.824 4.740 0.001 0.000 0.208 84 N C 1.185 176.492 175.510 -0.339 0.000 1.200 84 N CA 0.038 52.837 53.050 -0.418 0.000 0.895 84 N CB 0.445 38.549 38.487 -0.638 0.000 1.085 84 N HN 0.169 8.549 8.380 0.000 0.000 0.500 85 I N 1.000 121.326 120.570 -0.407 0.000 3.444 85 I HA 0.044 4.214 4.170 0.001 0.000 0.287 85 I C 0.734 176.807 176.117 -0.074 0.000 1.302 85 I CA 0.360 61.470 61.300 -0.317 0.000 1.368 85 I CB -0.176 37.468 38.000 -0.592 0.000 1.048 85 I HN 0.126 8.336 8.210 0.000 0.000 0.487 86 G N 0.769 109.530 108.800 -0.065 0.000 2.631 86 G HA2 -0.246 3.714 3.960 0.001 0.000 0.504 86 G HA3 -0.246 3.714 3.960 0.001 0.000 0.504 86 G C -0.257 174.709 174.900 0.110 0.000 1.306 86 G CA -0.172 44.939 45.100 0.019 0.000 0.897 86 G HN 0.209 8.499 8.290 0.000 0.000 0.520 87 N N 0.652 119.410 118.700 0.097 0.000 2.251 87 N HA 0.322 5.063 4.740 0.001 0.000 0.217 87 N C 1.144 176.736 175.510 0.136 0.000 1.124 87 N CA 0.757 53.885 53.050 0.129 0.000 0.843 87 N CB 0.613 39.146 38.487 0.077 0.000 1.024 87 N HN 0.987 9.367 8.380 0.000 0.000 0.501 88 G N -0.179 108.703 108.800 0.136 0.000 2.634 88 G HA2 0.143 4.103 3.960 0.001 0.000 0.255 88 G HA3 0.143 4.103 3.960 0.001 0.000 0.255 88 G C -0.426 174.519 174.900 0.074 0.000 1.205 88 G CA -0.311 44.801 45.100 0.021 0.000 0.884 88 G HN 0.050 8.340 8.290 0.000 0.000 0.549 89 D N -0.751 119.611 120.400 -0.064 0.000 2.341 89 D HA 0.464 5.104 4.640 0.001 0.000 0.245 89 D C -0.623 175.554 176.300 -0.205 0.000 1.106 89 D CA 0.661 54.650 54.000 -0.017 0.000 0.905 89 D CB 0.962 41.734 40.800 -0.047 0.000 1.202 89 D HN 0.106 8.476 8.370 0.000 0.000 0.426 90 F N 0.337 120.269 119.950 -0.030 0.000 2.518 90 F HA 0.283 4.811 4.527 0.001 0.000 0.323 90 F C 0.219 175.948 175.800 -0.119 0.000 1.129 90 F CA -0.972 56.994 58.000 -0.057 0.000 0.920 90 F CB 1.626 40.598 39.000 -0.048 0.000 1.160 90 F HN 0.048 8.348 8.300 0.000 0.000 0.440 91 S N 2.625 118.321 115.700 -0.006 0.000 2.443 91 S HA 0.398 4.869 4.470 0.001 0.000 0.284 91 S C -0.298 174.198 174.600 -0.173 0.000 1.206 91 S CA -0.491 57.627 58.200 -0.137 0.000 1.074 91 S CB 0.380 63.486 63.200 -0.157 0.000 0.963 91 S HN 0.325 8.635 8.310 0.000 0.000 0.501 92 V N 5.210 124.996 119.914 -0.213 0.000 2.378 92 V HA 0.319 4.439 4.120 0.001 0.000 0.288 92 V C -0.874 175.149 176.094 -0.120 0.000 1.016 92 V CA -0.787 61.436 62.300 -0.128 0.000 0.840 92 V CB 0.444 32.247 31.823 -0.032 0.000 0.994 92 V HN 0.751 8.941 8.190 0.000 0.000 0.431 93 Y N 2.363 122.735 120.300 0.121 0.000 2.299 93 Y HA 0.526 5.076 4.550 0.000 0.000 0.326 93 Y C 0.835 176.988 175.900 0.422 0.000 1.164 93 Y CA 0.212 58.468 58.100 0.260 0.000 1.234 93 Y CB 1.705 40.354 38.460 0.315 0.000 1.219 93 Y HN 0.581 8.861 8.280 0.000 0.000 0.497 94 S N 2.031 118.063 115.700 0.553 0.000 2.532 94 S HA 0.900 5.370 4.470 0.001 0.000 0.299 94 S C -1.100 173.670 174.600 0.284 0.000 1.105 94 S CA -0.362 58.099 58.200 0.435 0.000 1.018 94 S CB 0.608 63.948 63.200 0.235 0.000 1.021 94 S HN 0.864 9.174 8.310 0.000 0.000 0.483 95 A N 2.415 125.322 122.820 0.144 0.000 2.556 95 A HA 0.726 5.046 4.320 0.001 0.000 0.294 95 A C 0.659 178.198 177.584 -0.074 0.000 1.091 95 A CA -0.147 51.794 52.037 -0.160 0.000 0.704 95 A CB 1.194 19.744 19.000 -0.750 0.000 1.300 95 A HN 1.243 9.393 8.150 0.000 0.000 0.406 96 S N -0.435 115.211 115.700 -0.091 0.000 2.486 96 S HA 0.119 4.590 4.470 0.001 0.000 0.220 96 S C 0.995 175.569 174.600 -0.043 0.000 1.011 96 S CA 1.117 59.295 58.200 -0.038 0.000 0.921 96 S CB -0.252 62.929 63.200 -0.031 0.000 0.785 96 S HN 1.097 9.407 8.310 0.000 0.000 0.517 97 T N 1.602 116.082 114.554 -0.123 0.000 2.902 97 T HA 0.246 4.597 4.350 0.001 0.000 0.280 97 T C 1.349 175.967 174.700 -0.136 0.000 0.992 97 T CA -0.356 61.668 62.100 -0.127 0.000 1.015 97 T CB 0.645 69.385 68.868 -0.213 0.000 1.044 97 T HN 0.506 8.746 8.240 0.000 0.000 0.520 98 H N 1.373 120.451 119.070 0.015 0.000 2.495 98 H HA 0.216 4.772 4.556 0.001 0.000 0.287 98 H C 0.113 175.528 175.328 0.145 0.000 1.033 98 H CA 0.283 56.398 56.048 0.111 0.000 1.307 98 H CB 0.065 29.914 29.762 0.145 0.000 1.401 98 H HN 0.370 8.650 8.280 0.000 0.000 0.555 99 K N 0.895 121.080 120.400 -0.357 0.000 2.297 99 K HA 0.176 4.496 4.320 0.001 0.000 0.286 99 K C -1.238 175.259 176.600 -0.172 0.000 1.053 99 K CA -0.441 55.758 56.287 -0.147 0.000 0.940 99 K CB 0.741 33.110 32.500 -0.217 0.000 1.019 99 K HN 0.030 8.280 8.250 0.000 0.000 0.475 100 F N 3.804 123.792 119.950 0.064 0.000 2.319 100 F HA 0.172 4.700 4.527 0.001 0.000 0.356 100 F C -0.132 175.650 175.800 -0.029 0.000 1.100 100 F CA -0.926 57.103 58.000 0.047 0.000 1.220 100 F CB 0.472 39.544 39.000 0.121 0.000 1.506 100 F HN 0.293 8.593 8.300 0.000 0.000 0.512 101 L N 4.003 125.262 121.223 0.059 0.000 2.369 101 L HA 0.188 4.528 4.340 0.001 0.000 0.279 101 L C -0.427 176.394 176.870 -0.082 0.000 1.108 101 L CA -0.368 54.465 54.840 -0.011 0.000 0.852 101 L CB -0.221 41.838 42.059 0.000 0.000 1.169 101 L HN 0.416 8.646 8.230 0.000 0.000 0.452 102 Y N 6.136 126.185 120.300 -0.419 0.000 2.511 102 Y HA 0.307 4.858 4.550 0.001 0.000 0.332 102 Y C -0.839 174.790 175.900 -0.450 0.000 1.177 102 Y CA 0.002 57.784 58.100 -0.529 0.000 1.422 102 Y CB 0.253 38.438 38.460 -0.457 0.000 1.271 102 Y HN 0.591 8.871 8.280 0.000 0.000 0.550 103 Y N 2.834 122.531 120.300 -1.004 0.000 2.406 103 Y HA 0.376 4.926 4.550 0.001 0.000 0.340 103 Y C -1.084 174.311 175.900 -0.842 0.000 0.975 103 Y CA -1.881 55.799 58.100 -0.699 0.000 1.056 103 Y CB 0.834 39.180 38.460 -0.191 0.000 1.210 103 Y HN 0.504 8.784 8.280 0.000 0.000 0.448 104 D N 3.091 123.251 120.400 -0.399 0.000 2.339 104 D HA 0.078 4.718 4.640 0.001 0.000 0.256 104 D C 0.462 176.726 176.300 -0.060 0.000 1.214 104 D CA 0.284 54.165 54.000 -0.197 0.000 0.877 104 D CB 1.055 41.827 40.800 -0.046 0.000 1.111 104 D HN 0.898 9.268 8.370 0.000 0.000 0.478 105 E N 2.561 122.751 120.200 -0.017 0.000 2.268 105 E HA -0.146 4.205 4.350 0.001 0.000 0.195 105 E C 1.461 178.088 176.600 0.046 0.000 0.995 105 E CA 0.513 56.957 56.400 0.072 0.000 0.836 105 E CB 0.305 30.052 29.700 0.077 0.000 0.763 105 E HN 0.417 8.777 8.360 0.000 0.000 0.491 106 K N 1.097 121.513 120.400 0.026 0.000 2.288 106 K HA -0.084 4.237 4.320 0.001 0.000 0.201 106 K C 1.396 178.018 176.600 0.037 0.000 1.048 106 K CA 0.866 57.171 56.287 0.030 0.000 0.956 106 K CB 0.244 32.760 32.500 0.026 0.000 0.746 106 K HN -0.081 8.169 8.250 0.000 0.000 0.461 107 K N -0.280 120.133 120.400 0.023 0.000 2.367 107 K HA 0.136 4.456 4.320 0.001 0.000 0.194 107 K C 1.554 178.183 176.600 0.050 0.000 1.027 107 K CA 0.032 56.341 56.287 0.036 0.000 1.075 107 K CB 0.260 32.751 32.500 -0.015 0.000 0.845 107 K HN 0.117 8.367 8.250 0.000 0.000 0.529 108 M N 0.352 119.977 119.600 0.041 0.000 2.460 108 M HA -0.091 4.389 4.480 0.001 0.000 0.263 108 M C 2.117 178.475 176.300 0.097 0.000 1.071 108 M CA 0.977 56.325 55.300 0.081 0.000 1.096 108 M CB -0.123 32.542 32.600 0.109 0.000 1.408 108 M HN 0.180 8.470 8.290 0.000 0.000 0.463 109 A N 1.020 123.883 122.820 0.073 0.000 1.969 109 A HA -0.140 4.181 4.320 0.001 0.000 0.218 109 A C 1.786 179.391 177.584 0.035 0.000 1.169 109 A CA 1.507 53.572 52.037 0.047 0.000 0.635 109 A CB -0.551 18.469 19.000 0.033 0.000 0.810 109 A HN 0.503 8.653 8.150 0.000 0.000 0.445 110 N N -0.890 117.855 118.700 0.074 0.000 2.331 110 N HA -0.022 4.718 4.740 0.001 0.000 0.180 110 N C -0.587 174.805 175.510 -0.196 0.000 1.019 110 N CA 0.780 53.822 53.050 -0.013 0.000 0.881 110 N CB -0.178 38.386 38.487 0.128 0.000 0.972 110 N HN 0.435 8.815 8.380 0.000 0.000 0.435 111 F N 1.049 120.965 119.950 -0.057 0.000 2.451 111 F HA 0.346 4.874 4.527 0.001 0.000 0.367 111 F C 1.306 177.111 175.800 0.008 0.000 1.100 111 F CA -0.661 57.306 58.000 -0.054 0.000 1.171 111 F CB 1.210 40.078 39.000 -0.219 0.000 1.405 111 F HN -0.208 8.092 8.300 0.000 0.000 0.482 112 Q N 0.410 120.267 119.800 0.095 0.000 2.269 112 Q HA -0.050 4.290 4.340 0.001 0.000 0.201 112 Q C 1.248 177.296 176.000 0.081 0.000 0.946 112 Q CA 0.680 56.526 55.803 0.071 0.000 0.877 112 Q CB 0.149 28.898 28.738 0.017 0.000 0.963 112 Q HN 0.470 8.740 8.270 0.000 0.000 0.472 113 N N 0.264 119.032 118.700 0.114 0.000 2.494 113 N HA -0.050 4.690 4.740 0.001 0.000 0.182 113 N C -0.196 175.402 175.510 0.145 0.000 1.076 113 N CA 0.277 53.392 53.050 0.108 0.000 0.908 113 N CB -0.003 38.553 38.487 0.115 0.000 0.967 113 N HN 0.121 8.501 8.380 0.000 0.000 0.449 114 F N 2.264 122.237 119.950 0.038 0.000 2.472 114 F HA 0.174 4.701 4.527 0.000 0.000 0.364 114 F C 0.496 176.243 175.800 -0.088 0.000 1.090 114 F CA -0.585 57.403 58.000 -0.020 0.000 1.188 114 F CB 0.442 39.376 39.000 -0.111 0.000 1.105 114 F HN -0.297 8.003 8.300 0.000 0.000 0.536 115 K N 8.494 128.442 120.400 -0.753 0.000 2.394 115 K HA 0.453 4.773 4.320 0.001 0.000 0.260 115 K C -2.677 173.278 176.600 -1.075 0.000 0.967 115 K CA -2.091 53.755 56.287 -0.735 0.000 0.855 115 K CB 1.143 33.426 32.500 -0.362 0.000 1.101 115 K HN 0.364 8.614 8.250 0.000 0.000 0.433 116 P HA 0.135 4.555 4.420 0.000 0.000 0.268 116 P C -0.014 176.967 177.300 -0.531 0.000 1.204 116 P CA -0.394 62.100 63.100 -1.011 0.000 0.768 116 P CB 0.746 31.712 31.700 -1.223 0.000 0.842 117 R N 0.577 120.865 120.500 -0.354 0.000 2.299 117 R HA 0.093 4.433 4.340 0.001 0.000 0.197 117 R C 0.718 176.929 176.300 -0.148 0.000 0.971 117 R CA 0.518 56.491 56.100 -0.212 0.000 1.030 117 R CB -0.219 29.980 30.300 -0.168 0.000 0.932 117 R HN 0.654 8.924 8.270 0.000 0.000 0.477 118 S N -0.039 115.625 115.700 -0.060 0.000 2.599 118 S HA 0.521 4.991 4.470 0.001 0.000 0.294 118 S C -0.594 174.161 174.600 0.259 0.000 1.094 118 S CA -0.976 57.299 58.200 0.125 0.000 0.931 118 S CB 2.517 65.866 63.200 0.247 0.000 1.093 118 S HN -0.042 8.268 8.310 0.000 0.000 0.488 119 N N 1.080 119.956 118.700 0.293 0.000 2.284 119 N HA 0.371 5.111 4.740 0.001 0.000 0.300 119 N C -1.148 174.496 175.510 0.224 0.000 1.047 119 N CA -0.610 52.588 53.050 0.246 0.000 0.821 119 N CB 2.106 40.657 38.487 0.106 0.000 1.337 119 N HN 0.696 9.076 8.380 0.000 0.000 0.482 120 R N 1.095 121.655 120.500 0.100 0.000 2.229 120 R HA 0.216 4.556 4.340 0.001 0.000 0.328 120 R C -0.694 175.525 176.300 -0.134 0.000 1.009 120 R CA -0.249 55.701 56.100 -0.251 0.000 0.864 120 R CB 0.769 30.842 30.300 -0.379 0.000 1.085 120 R HN 0.590 8.860 8.270 0.000 0.000 0.453 121 E N 3.235 123.347 120.200 -0.146 0.000 2.199 121 E HA 0.135 4.485 4.350 0.001 0.000 0.265 121 E C -1.057 175.492 176.600 -0.084 0.000 0.882 121 E CA -0.759 55.597 56.400 -0.074 0.000 0.759 121 E CB 1.288 30.976 29.700 -0.020 0.000 1.148 121 E HN 0.492 8.852 8.360 0.000 0.000 0.412 122 E N 5.141 125.305 120.200 -0.059 0.000 2.194 122 E HA 0.259 4.609 4.350 0.001 0.000 0.284 122 E C -0.019 176.578 176.600 -0.005 0.000 1.035 122 E CA 0.016 56.393 56.400 -0.037 0.000 0.836 122 E CB 1.042 30.719 29.700 -0.037 0.000 1.070 122 E HN 0.539 8.899 8.360 0.000 0.000 0.401 123 M N 0.232 119.848 119.600 0.026 0.000 2.755 123 M HA 0.551 5.031 4.480 0.001 0.000 0.273 123 M C -0.711 175.641 176.300 0.087 0.000 1.278 123 M CA -1.208 54.106 55.300 0.025 0.000 0.819 123 M CB 1.874 34.469 32.600 -0.009 0.000 1.694 123 M HN -0.173 8.117 8.290 0.000 0.000 0.460 124 K N 0.520 120.926 120.400 0.010 0.000 2.138 124 K HA 0.276 4.596 4.320 0.001 0.000 0.251 124 K C 0.267 176.851 176.600 -0.028 0.000 1.015 124 K CA -0.240 56.083 56.287 0.061 0.000 0.917 124 K CB 0.701 33.192 32.500 -0.015 0.000 1.021 124 K HN 0.774 9.024 8.250 0.000 0.000 0.485 125 F N 1.695 121.575 119.950 -0.116 0.000 2.171 125 F HA -0.224 4.303 4.527 0.001 0.000 0.300 125 F C 2.396 178.148 175.800 -0.080 0.000 1.090 125 F CA 2.029 59.868 58.000 -0.268 0.000 1.293 125 F CB -0.128 38.588 39.000 -0.474 0.000 1.013 125 F HN 0.805 9.105 8.300 0.000 0.000 0.486 126 H N -1.734 117.417 119.070 0.134 0.000 2.457 126 H HA -0.026 4.530 4.556 0.000 0.000 0.294 126 H C 1.768 177.093 175.328 -0.005 0.000 1.064 126 H CA 1.615 57.702 56.048 0.065 0.000 1.330 126 H CB -0.841 28.957 29.762 0.061 0.000 1.395 126 H HN 0.370 8.650 8.280 0.000 0.000 0.541 127 E N -0.128 119.737 120.200 -0.558 0.000 2.107 127 E HA -0.110 4.240 4.350 0.001 0.000 0.191 127 E C 1.519 178.026 176.600 -0.154 0.000 0.982 127 E CA 0.881 57.086 56.400 -0.326 0.000 0.809 127 E CB -0.178 29.326 29.700 -0.328 0.000 0.756 127 E HN 0.481 8.841 8.360 0.000 0.000 0.459 128 F N 1.494 121.245 119.950 -0.331 0.000 2.102 128 F HA -0.201 4.326 4.527 0.000 0.000 0.298 128 F C 2.049 177.671 175.800 -0.297 0.000 1.105 128 F CA 1.071 58.864 58.000 -0.344 0.000 1.239 128 F CB -0.383 38.283 39.000 -0.557 0.000 0.991 128 F HN -0.226 8.074 8.300 0.000 0.000 0.474 129 V N 0.562 120.181 119.914 -0.490 0.000 2.343 129 V HA -0.282 3.839 4.120 0.001 0.000 0.247 129 V C 2.292 178.220 176.094 -0.275 0.000 1.051 129 V CA 2.264 64.308 62.300 -0.427 0.000 1.036 129 V CB -0.786 30.942 31.823 -0.159 0.000 0.654 129 V HN 0.349 8.539 8.190 0.000 0.000 0.451 130 E N 0.014 120.116 120.200 -0.164 0.000 2.051 130 E HA -0.266 4.085 4.350 0.001 0.000 0.192 130 E C 2.289 178.814 176.600 -0.124 0.000 0.991 130 E CA 1.435 57.778 56.400 -0.096 0.000 0.799 130 E CB -0.164 29.521 29.700 -0.025 0.000 0.748 130 E HN 0.495 8.855 8.360 0.000 0.000 0.449 131 K N 0.520 120.827 120.400 -0.155 0.000 2.147 131 K HA -0.130 4.190 4.320 0.001 0.000 0.205 131 K C 2.073 178.564 176.600 -0.182 0.000 1.049 131 K CA 0.573 56.782 56.287 -0.129 0.000 0.936 131 K CB 0.068 32.518 32.500 -0.083 0.000 0.722 131 K HN 0.061 8.311 8.250 0.000 0.000 0.446 132 L N 1.403 122.422 121.223 -0.339 0.000 2.027 132 L HA -0.172 4.169 4.340 0.001 0.000 0.206 132 L C 2.070 178.822 176.870 -0.197 0.000 1.074 132 L CA 1.794 56.424 54.840 -0.350 0.000 0.745 132 L CB -0.859 40.834 42.059 -0.611 0.000 0.898 132 L HN 0.357 8.587 8.230 0.000 0.000 0.433 133 Q N -0.850 118.847 119.800 -0.172 0.000 2.124 133 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 133 Q C 1.787 177.746 176.000 -0.068 0.000 0.977 133 Q CA 1.733 57.476 55.803 -0.099 0.000 0.850 133 Q CB -0.054 28.637 28.738 -0.078 0.000 0.901 133 Q HN 0.451 8.721 8.270 0.000 0.000 0.429 134 D N 0.784 121.142 120.400 -0.069 0.000 2.092 134 D HA -0.163 4.478 4.640 0.001 0.000 0.193 134 D C 1.645 177.925 176.300 -0.033 0.000 0.994 134 D CA 1.222 55.197 54.000 -0.043 0.000 0.828 134 D CB -0.110 40.666 40.800 -0.039 0.000 0.963 134 D HN 0.199 8.569 8.370 0.000 0.000 0.450 135 I N 0.121 120.667 120.570 -0.039 0.000 2.286 135 I HA -0.244 3.926 4.170 0.001 0.000 0.248 135 I C 2.570 178.677 176.117 -0.017 0.000 1.115 135 I CA 0.872 62.160 61.300 -0.020 0.000 1.392 135 I CB -0.320 37.672 38.000 -0.014 0.000 1.065 135 I HN 0.089 8.299 8.210 0.000 0.000 0.418 136 Q N 0.562 120.344 119.800 -0.030 0.000 2.084 136 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 136 Q C 2.259 178.252 176.000 -0.012 0.000 0.978 136 Q CA 1.900 57.690 55.803 -0.022 0.000 0.844 136 Q CB -0.126 28.592 28.738 -0.033 0.000 0.898 136 Q HN 0.680 8.950 8.270 0.000 0.000 0.426 137 Q N -0.389 119.402 119.800 -0.014 0.000 2.339 137 Q HA -0.006 4.335 4.340 0.001 0.000 0.205 137 Q C 1.788 177.786 176.000 -0.004 0.000 0.925 137 Q CA 0.341 56.139 55.803 -0.008 0.000 0.898 137 Q CB -0.088 28.644 28.738 -0.010 0.000 1.013 137 Q HN 0.115 8.385 8.270 0.000 0.000 0.504 138 R N 0.813 121.310 120.500 -0.005 0.000 2.236 138 R HA 0.007 4.348 4.340 0.001 0.000 0.208 138 R C 0.602 176.904 176.300 0.003 0.000 1.036 138 R CA 0.872 56.971 56.100 -0.001 0.000 1.001 138 R CB -0.234 30.066 30.300 -0.002 0.000 0.896 138 R HN 0.531 8.801 8.270 0.000 0.000 0.464 139 G N -0.103 108.700 108.800 0.004 0.000 2.176 139 G HA2 -0.246 3.715 3.960 0.001 0.000 0.252 139 G HA3 -0.246 3.715 3.960 0.001 0.000 0.252 139 G C 0.274 175.182 174.900 0.013 0.000 1.024 139 G CA 0.111 45.217 45.100 0.009 0.000 0.755 139 G HN 0.613 8.903 8.290 0.000 0.000 0.507 140 G N -1.249 107.559 108.800 0.013 0.000 2.683 140 G HA2 0.481 4.442 3.960 0.001 0.000 0.260 140 G HA3 0.481 4.442 3.960 0.001 0.000 0.260 140 G C 0.669 175.586 174.900 0.028 0.000 1.238 140 G CA 0.245 45.356 45.100 0.019 0.000 0.934 140 G HN 0.206 8.496 8.290 0.000 0.000 0.534 141 E N -0.851 119.370 120.200 0.034 0.000 2.490 141 E HA 0.035 4.386 4.350 0.001 0.000 0.209 141 E C 0.731 177.368 176.600 0.061 0.000 0.971 141 E CA -0.135 56.292 56.400 0.046 0.000 0.988 141 E CB 0.423 30.147 29.700 0.040 0.000 1.029 141 E HN 0.677 9.037 8.360 0.000 0.000 0.496 142 E N 1.776 122.011 120.200 0.059 0.000 2.415 142 E HA 0.020 4.370 4.350 0.001 0.000 0.263 142 E C -0.345 176.330 176.600 0.124 0.000 0.995 142 E CA 0.220 56.670 56.400 0.083 0.000 0.915 142 E CB 0.548 30.291 29.700 0.071 0.000 0.951 142 E HN -0.078 8.282 8.360 0.000 0.000 0.449 143 R N 3.829 124.447 120.500 0.197 0.000 2.589 143 R HA 0.508 4.849 4.340 0.001 0.000 0.293 143 R C -0.647 175.927 176.300 0.456 0.000 0.963 143 R CA -0.713 55.576 56.100 0.314 0.000 0.905 143 R CB 1.164 31.724 30.300 0.433 0.000 1.144 143 R HN 0.453 8.723 8.270 0.000 0.000 0.459 144 L N 2.113 123.533 121.223 0.328 0.000 2.354 144 L HA 0.500 4.840 4.340 0.001 0.000 0.269 144 L C -1.268 175.666 176.870 0.106 0.000 1.005 144 L CA -1.023 54.008 54.840 0.319 0.000 0.819 144 L CB 1.538 43.799 42.059 0.335 0.000 1.311 144 L HN 0.489 8.719 8.230 0.000 0.000 0.423 145 Y N 2.951 123.173 120.300 -0.130 0.000 2.344 145 Y HA 0.375 4.925 4.550 0.001 0.000 0.328 145 Y C -0.755 175.071 175.900 -0.122 0.000 1.067 145 Y CA -1.060 56.865 58.100 -0.293 0.000 1.247 145 Y CB 1.633 39.576 38.460 -0.862 0.000 1.113 145 Y HN 0.405 8.685 8.280 0.000 0.000 0.465 146 L N 5.937 127.186 121.223 0.043 0.000 2.410 146 L HA 0.332 4.672 4.340 0.001 0.000 0.273 146 L C -0.745 176.143 176.870 0.030 0.000 1.144 146 L CA 0.527 55.226 54.840 -0.234 0.000 0.863 146 L CB 0.277 41.793 42.059 -0.906 0.000 1.140 146 L HN 0.649 8.879 8.230 0.000 0.000 0.463 147 Q N 5.197 125.030 119.800 0.055 0.000 2.589 147 Q HA 0.322 4.662 4.340 0.001 0.000 0.245 147 Q C -1.492 174.570 176.000 0.104 0.000 0.931 147 Q CA -0.531 55.315 55.803 0.072 0.000 0.730 147 Q CB 1.939 30.715 28.738 0.063 0.000 1.315 147 Q HN 0.509 8.779 8.270 0.000 0.000 0.469 148 Q N 1.087 120.952 119.800 0.109 0.000 2.285 148 Q HA 0.322 4.663 4.340 0.001 0.000 0.269 148 Q C -1.140 174.893 176.000 0.055 0.000 1.030 148 Q CA -0.234 55.611 55.803 0.071 0.000 0.788 148 Q CB 2.105 30.900 28.738 0.095 0.000 1.266 148 Q HN 0.398 8.668 8.270 0.000 0.000 0.438 149 T N 4.399 118.967 114.554 0.023 0.000 2.867 149 T HA 0.213 4.564 4.350 0.001 0.000 0.297 149 T C 0.030 174.717 174.700 -0.022 0.000 0.989 149 T CA 0.111 62.227 62.100 0.027 0.000 1.159 149 T CB -0.051 68.835 68.868 0.030 0.000 0.928 149 T HN 0.469 8.709 8.240 0.000 0.000 0.538 150 L N 5.368 126.612 121.223 0.036 0.000 2.360 150 L HA 0.291 4.631 4.340 0.001 0.000 0.276 150 L C 0.752 177.571 176.870 -0.086 0.000 1.121 150 L CA -0.491 54.359 54.840 0.018 0.000 0.845 150 L CB 0.068 42.240 42.059 0.188 0.000 1.143 150 L HN 0.760 8.989 8.230 0.000 0.000 0.452 151 N N 0.076 118.691 118.700 -0.141 0.000 3.091 151 N HA 0.214 4.954 4.740 0.001 0.000 0.329 151 N C 0.253 175.665 175.510 -0.164 0.000 1.430 151 N CA -0.864 52.093 53.050 -0.154 0.000 0.755 151 N CB 0.349 38.749 38.487 -0.145 0.000 1.626 151 N HN 0.282 8.662 8.380 0.000 0.000 0.614 152 D N -0.786 119.530 120.400 -0.139 0.000 2.203 152 D HA -0.171 4.469 4.640 0.001 0.000 0.199 152 D C 1.108 177.345 176.300 -0.106 0.000 0.997 152 D CA 2.220 56.148 54.000 -0.121 0.000 0.863 152 D CB -0.271 40.473 40.800 -0.094 0.000 0.928 152 D HN 0.789 9.159 8.370 0.000 0.000 0.458 153 T N -1.224 113.268 114.554 -0.104 0.000 3.113 153 T HA 0.029 4.379 4.350 0.001 0.000 0.256 153 T C 1.243 175.908 174.700 -0.058 0.000 1.131 153 T CA -0.013 62.042 62.100 -0.076 0.000 1.074 153 T CB -0.471 68.352 68.868 -0.075 0.000 0.944 153 T HN 0.008 8.248 8.240 0.000 0.000 0.516 154 V N 0.554 120.424 119.914 -0.075 0.000 2.763 154 V HA 0.632 4.753 4.120 0.001 0.000 0.306 154 V C 1.007 177.059 176.094 -0.069 0.000 1.059 154 V CA -0.900 61.363 62.300 -0.062 0.000 1.138 154 V CB -0.173 31.609 31.823 -0.067 0.000 0.940 154 V HN 0.378 8.568 8.190 0.000 0.000 0.489 155 G N 3.830 112.583 108.800 -0.079 0.000 2.653 155 G HA2 0.272 4.232 3.960 0.001 0.000 0.265 155 G HA3 0.272 4.232 3.960 0.001 0.000 0.265 155 G C 0.577 175.442 174.900 -0.058 0.000 1.237 155 G CA -0.357 44.697 45.100 -0.076 0.000 0.946 155 G HN 0.873 9.163 8.290 0.000 0.000 0.522 156 R N -0.635 119.837 120.500 -0.046 0.000 2.096 156 R HA -0.004 4.337 4.340 0.001 0.000 0.235 156 R C 2.414 178.721 176.300 0.012 0.000 1.127 156 R CA 1.409 57.499 56.100 -0.017 0.000 0.968 156 R CB -0.170 30.121 30.300 -0.014 0.000 0.861 156 R HN 0.505 8.775 8.270 0.000 0.000 0.440 157 K N 0.099 120.496 120.400 -0.005 0.000 2.155 157 K HA 0.003 4.324 4.320 0.001 0.000 0.203 157 K C 1.652 178.337 176.600 0.141 0.000 1.052 157 K CA 0.770 57.090 56.287 0.055 0.000 0.948 157 K CB 0.173 32.662 32.500 -0.018 0.000 0.728 157 K HN 0.025 8.275 8.250 0.000 0.000 0.448 158 I N 0.536 121.145 120.570 0.066 0.000 2.353 158 I HA -0.185 3.985 4.170 0.001 0.000 0.248 158 I C 2.122 178.388 176.117 0.249 0.000 1.119 158 I CA 1.011 62.411 61.300 0.167 0.000 1.417 158 I CB -0.905 37.089 38.000 -0.011 0.000 1.078 158 I HN -0.054 8.156 8.210 0.000 0.000 0.421 159 V N 0.488 120.471 119.914 0.115 0.000 2.295 159 V HA -0.285 3.835 4.120 0.001 0.000 0.246 159 V C 2.708 178.890 176.094 0.147 0.000 1.049 159 V CA 1.472 63.824 62.300 0.086 0.000 1.024 159 V CB -0.506 31.318 31.823 0.002 0.000 0.648 159 V HN 0.303 8.493 8.190 0.000 0.000 0.447 160 M N -0.370 119.310 119.600 0.134 0.000 2.080 160 M HA -0.190 4.290 4.480 0.001 0.000 0.260 160 M C 2.030 178.435 176.300 0.174 0.000 1.068 160 M CA 1.832 57.217 55.300 0.142 0.000 1.109 160 M CB -1.339 31.337 32.600 0.127 0.000 1.342 160 M HN 0.382 8.672 8.290 0.000 0.000 0.405 161 D N -0.504 120.038 120.400 0.236 0.000 2.117 161 D HA -0.150 4.490 4.640 0.001 0.000 0.197 161 D C 1.891 178.168 176.300 -0.037 0.000 0.987 161 D CA 1.088 55.233 54.000 0.241 0.000 0.829 161 D CB -0.446 40.676 40.800 0.537 0.000 0.961 161 D HN 0.251 8.621 8.370 0.000 0.000 0.460 162 F N 0.976 120.767 119.950 -0.265 0.000 2.126 162 F HA -0.131 4.397 4.527 0.001 0.000 0.299 162 F C 2.336 177.981 175.800 -0.258 0.000 1.096 162 F CA 0.956 58.514 58.000 -0.737 0.000 1.255 162 F CB -0.208 38.640 39.000 -0.252 0.000 0.997 162 F HN -0.077 8.223 8.300 0.000 0.000 0.479 163 L N -0.995 120.368 121.223 0.234 0.000 2.127 163 L HA -0.182 4.158 4.340 0.001 0.000 0.211 163 L C 2.444 179.521 176.870 0.345 0.000 1.089 163 L CA 1.280 56.311 54.840 0.318 0.000 0.757 163 L CB -1.260 40.915 42.059 0.193 0.000 0.899 163 L HN 0.240 8.470 8.230 0.000 0.000 0.434 164 G N -1.065 107.873 108.800 0.230 0.000 2.920 164 G HA2 -0.045 3.915 3.960 0.001 0.000 0.208 164 G HA3 -0.045 3.915 3.960 0.001 0.000 0.208 164 G C 0.471 175.556 174.900 0.308 0.000 1.159 164 G CA -0.388 44.862 45.100 0.251 0.000 0.784 164 G HN -0.016 8.274 8.290 0.000 0.000 0.535 165 F N 0.551 120.485 119.950 -0.027 0.000 2.490 165 F HA 0.185 4.712 4.527 -0.000 0.000 0.336 165 F C 0.939 176.503 175.800 -0.393 0.000 1.178 165 F CA -1.581 56.200 58.000 -0.365 0.000 1.301 165 F CB 0.338 38.879 39.000 -0.766 0.000 1.175 165 F HN -0.026 8.274 8.300 0.000 0.000 0.593 166 N N 1.993 120.552 118.700 -0.236 0.000 2.971 166 N HA -0.036 4.704 4.740 0.001 0.000 0.294 166 N C 0.660 176.109 175.510 -0.101 0.000 1.210 166 N CA 0.032 52.999 53.050 -0.138 0.000 1.157 166 N CB -0.369 38.017 38.487 -0.167 0.000 1.450 166 N HN 0.501 8.881 8.380 0.000 0.000 0.527 167 W N 1.142 122.549 121.300 0.179 0.000 2.402 167 W HA -0.084 4.577 4.660 0.001 0.000 0.286 167 W C 2.140 178.722 176.519 0.104 0.000 1.221 167 W CA 0.068 57.517 57.345 0.174 0.000 1.257 167 W CB -0.193 29.382 29.460 0.193 0.000 1.120 167 W HN 0.424 8.604 8.180 0.000 0.000 0.551 168 N N 0.064 118.929 118.700 0.277 0.000 2.018 168 N HA -0.297 4.443 4.740 0.001 0.000 0.196 168 N C 1.462 177.030 175.510 0.097 0.000 1.043 168 N CA 2.262 55.408 53.050 0.159 0.000 0.856 168 N CB -0.954 37.605 38.487 0.121 0.000 1.042 168 N HN 0.255 8.635 8.380 0.000 0.000 0.423 169 W N 0.754 122.001 121.300 -0.088 0.000 2.355 169 W HA -0.013 4.649 4.660 0.003 0.000 0.309 169 W C 2.256 178.647 176.519 -0.215 0.000 1.206 169 W CA 1.409 58.648 57.345 -0.176 0.000 1.284 169 W CB -0.574 28.738 29.460 -0.247 0.000 1.145 169 W HN 0.201 8.381 8.180 0.000 0.000 0.502 170 I N 1.002 121.456 120.570 -0.194 0.000 2.439 170 I HA -0.301 3.870 4.170 0.001 0.000 0.251 170 I C 1.784 177.754 176.117 -0.244 0.000 1.139 170 I CA 1.391 62.428 61.300 -0.438 0.000 1.438 170 I CB -0.441 37.465 38.000 -0.157 0.000 1.085 170 I HN -0.018 8.192 8.210 0.000 0.000 0.427 171 N N 1.212 119.909 118.700 -0.005 0.000 2.166 171 N HA -0.202 4.539 4.740 0.001 0.000 0.186 171 N C 1.689 177.111 175.510 -0.146 0.000 1.019 171 N CA 1.224 54.289 53.050 0.024 0.000 0.856 171 N CB -0.190 38.370 38.487 0.122 0.000 0.993 171 N HN 0.350 8.730 8.380 0.000 0.000 0.426 172 K N 0.327 120.582 120.400 -0.243 0.000 2.097 172 K HA -0.017 4.303 4.320 0.001 0.000 0.205 172 K C 1.888 178.212 176.600 -0.459 0.000 1.050 172 K CA 0.746 56.850 56.287 -0.304 0.000 0.938 172 K CB 0.107 32.437 32.500 -0.284 0.000 0.718 172 K HN 0.148 8.398 8.250 0.000 0.000 0.442 173 Q N 0.692 120.082 119.800 -0.684 0.000 2.050 173 Q HA -0.220 4.120 4.340 0.001 0.000 0.202 173 Q C 2.099 177.598 176.000 -0.835 0.000 0.980 173 Q CA 1.432 56.748 55.803 -0.811 0.000 0.840 173 Q CB -0.269 27.862 28.738 -1.011 0.000 0.898 173 Q HN 0.420 8.690 8.270 0.000 0.000 0.424 174 Q N -0.212 119.200 119.800 -0.646 0.000 2.045 174 Q HA -0.172 4.168 4.340 0.001 0.000 0.206 174 Q C 1.966 177.742 176.000 -0.374 0.000 0.991 174 Q CA 1.859 57.367 55.803 -0.492 0.000 0.851 174 Q CB -0.389 28.229 28.738 -0.200 0.000 0.911 174 Q HN 0.445 8.715 8.270 0.000 0.000 0.418 175 G N 0.783 109.417 108.800 -0.276 0.000 2.446 175 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 175 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 175 G C 1.350 176.101 174.900 -0.248 0.000 1.168 175 G CA 1.026 46.007 45.100 -0.199 0.000 0.771 175 G HN 0.324 8.614 8.290 0.000 0.000 0.551 176 K N -0.180 120.020 120.400 -0.333 0.000 2.148 176 K HA 0.018 4.338 4.320 0.001 0.000 0.204 176 K C 2.488 178.877 176.600 -0.352 0.000 1.050 176 K CA 0.645 56.746 56.287 -0.310 0.000 0.942 176 K CB -0.005 32.301 32.500 -0.324 0.000 0.724 176 K HN 0.060 8.310 8.250 0.000 0.000 0.446 177 R N -0.488 119.670 120.500 -0.570 0.000 2.297 177 R HA 0.073 4.413 4.340 0.001 0.000 0.197 177 R C 1.106 177.189 176.300 -0.362 0.000 0.943 177 R CA 0.803 56.527 56.100 -0.626 0.000 1.038 177 R CB 0.158 29.658 30.300 -1.333 0.000 0.957 177 R HN 0.429 8.699 8.270 0.000 0.000 0.484 178 G N 0.755 109.402 108.800 -0.256 0.000 2.143 178 G HA2 -0.208 3.752 3.960 0.001 0.000 0.248 178 G HA3 -0.208 3.752 3.960 0.001 0.000 0.248 178 G C -0.170 174.813 174.900 0.139 0.000 0.991 178 G CA 0.050 45.127 45.100 -0.038 0.000 0.689 178 G HN 0.138 8.428 8.290 0.000 0.000 0.522 179 W N 0.348 121.630 121.300 -0.032 0.000 2.089 179 W HA 0.533 5.193 4.660 0.000 0.000 0.355 179 W C 1.290 177.846 176.519 0.061 0.000 1.305 179 W CA -0.065 57.286 57.345 0.010 0.000 1.281 179 W CB -0.277 29.168 29.460 -0.025 0.000 1.183 179 W HN 0.357 8.537 8.180 0.000 0.000 0.604 180 G N 0.457 109.455 108.800 0.330 0.000 2.504 180 G HA2 0.331 4.291 3.960 0.001 0.000 0.257 180 G HA3 0.331 4.291 3.960 0.001 0.000 0.257 180 G C -0.344 174.753 174.900 0.329 0.000 1.451 180 G CA -0.654 44.593 45.100 0.244 0.000 1.059 180 G HN 0.515 8.805 8.290 0.000 0.000 0.550 181 Q N -1.210 118.736 119.800 0.243 0.000 2.368 181 Q HA 0.405 4.745 4.340 0.001 0.000 0.237 181 Q C -0.311 175.841 176.000 0.254 0.000 0.987 181 Q CA -0.797 55.157 55.803 0.251 0.000 0.896 181 Q CB 1.152 29.971 28.738 0.136 0.000 1.241 181 Q HN 0.345 8.615 8.270 0.000 0.000 0.485 182 L N 2.833 124.159 121.223 0.172 0.000 2.477 182 L HA 0.052 4.392 4.340 0.001 0.000 0.272 182 L C 0.840 177.691 176.870 -0.031 0.000 1.157 182 L CA 1.099 55.829 54.840 -0.184 0.000 0.889 182 L CB 0.903 42.899 42.059 -0.105 0.000 1.158 182 L HN 1.005 9.235 8.230 0.000 0.000 0.473 183 T N -0.254 114.285 114.554 -0.025 0.000 3.039 183 T HA 0.287 4.637 4.350 0.001 0.000 0.250 183 T C 0.534 175.269 174.700 0.058 0.000 1.052 183 T CA 0.458 62.573 62.100 0.025 0.000 1.125 183 T CB -0.151 68.723 68.868 0.009 0.000 0.908 183 T HN 0.763 9.003 8.240 0.000 0.000 0.473 184 S N -0.043 115.720 115.700 0.106 0.000 2.595 184 S HA 0.526 4.996 4.470 0.001 0.000 0.270 184 S C -2.176 172.480 174.600 0.094 0.000 1.145 184 S CA -1.245 57.032 58.200 0.128 0.000 0.825 184 S CB 0.870 64.184 63.200 0.190 0.000 1.107 184 S HN 0.305 8.615 8.310 0.000 0.000 0.461 185 N N 0.424 119.160 118.700 0.060 0.000 2.479 185 N HA 0.545 5.285 4.740 0.001 0.000 0.261 185 N C -1.493 174.007 175.510 -0.016 0.000 0.979 185 N CA -0.465 52.551 53.050 -0.056 0.000 0.930 185 N CB 1.476 39.994 38.487 0.052 0.000 1.172 185 N HN 0.580 8.960 8.380 0.000 0.000 0.499 186 L N 3.296 124.440 121.223 -0.132 0.000 2.265 186 L HA 0.433 4.773 4.340 0.001 0.000 0.288 186 L C -0.969 175.864 176.870 -0.061 0.000 1.058 186 L CA -0.659 54.132 54.840 -0.082 0.000 0.809 186 L CB 0.562 42.512 42.059 -0.181 0.000 1.179 186 L HN 0.458 8.688 8.230 0.000 0.000 0.429 187 L N 6.425 127.684 121.223 0.060 0.000 2.319 187 L HA 0.451 4.791 4.340 0.001 0.000 0.280 187 L C -1.132 175.796 176.870 0.097 0.000 1.099 187 L CA 0.363 55.275 54.840 0.120 0.000 0.828 187 L CB 0.520 42.720 42.059 0.234 0.000 1.150 187 L HN 0.551 8.781 8.230 0.000 0.000 0.442 188 L N 7.023 128.301 121.223 0.091 0.000 2.349 188 L HA 0.540 4.881 4.340 0.001 0.000 0.278 188 L C -0.704 176.310 176.870 0.241 0.000 0.996 188 L CA -0.124 54.818 54.840 0.169 0.000 0.825 188 L CB 1.527 43.678 42.059 0.154 0.000 1.243 188 L HN 0.515 8.745 8.230 0.000 0.000 0.412 189 I N 2.744 123.474 120.570 0.267 0.000 2.439 189 I HA 0.565 4.736 4.170 0.001 0.000 0.283 189 I C 0.334 176.517 176.117 0.109 0.000 1.023 189 I CA -0.310 61.107 61.300 0.195 0.000 1.100 189 I CB 1.751 39.873 38.000 0.203 0.000 1.238 189 I HN 0.651 8.861 8.210 0.000 0.000 0.445 190 G N 5.823 114.527 108.800 -0.160 0.000 2.511 190 G HA2 0.764 4.725 3.960 0.001 0.000 0.318 190 G HA3 0.764 4.725 3.960 0.001 0.000 0.318 190 G C -0.702 174.041 174.900 -0.262 0.000 1.210 190 G CA -0.807 43.902 45.100 -0.651 0.000 0.969 190 G HN 0.371 8.661 8.290 0.000 0.000 0.484 191 M N 0.866 120.321 119.600 -0.242 0.000 2.288 191 M HA 0.232 4.713 4.480 0.001 0.000 0.334 191 M C 0.560 176.829 176.300 -0.053 0.000 1.150 191 M CA -0.456 54.797 55.300 -0.078 0.000 1.118 191 M CB 1.267 33.862 32.600 -0.009 0.000 1.501 191 M HN 0.715 9.005 8.290 0.000 0.000 0.462 192 E N 0.698 120.899 120.200 0.002 0.000 2.529 192 E HA 0.156 4.507 4.350 0.001 0.000 0.259 192 E C 0.819 177.450 176.600 0.053 0.000 0.966 192 E CA 0.441 56.860 56.400 0.032 0.000 0.937 192 E CB -0.106 29.619 29.700 0.043 0.000 0.923 192 E HN 0.906 9.266 8.360 0.000 0.000 0.468 193 G N 3.157 111.997 108.800 0.068 0.000 2.241 193 G HA2 -0.298 3.662 3.960 0.001 0.000 0.244 193 G HA3 -0.298 3.662 3.960 0.001 0.000 0.244 193 G C 0.034 175.035 174.900 0.168 0.000 0.998 193 G CA 0.010 45.168 45.100 0.097 0.000 0.621 193 G HN 0.598 8.888 8.290 0.000 0.000 0.519 194 N N 0.351 119.139 118.700 0.147 0.000 2.356 194 N HA 0.378 5.118 4.740 0.001 0.000 0.252 194 N C -0.035 175.645 175.510 0.284 0.000 1.241 194 N CA 0.623 53.810 53.050 0.230 0.000 0.861 194 N CB 1.249 39.677 38.487 -0.099 0.000 1.075 194 N HN 0.338 8.718 8.380 0.000 0.000 0.461 195 V N 1.798 121.964 119.914 0.421 0.000 2.531 195 V HA 0.307 4.427 4.120 0.001 0.000 0.301 195 V C -0.121 176.148 176.094 0.292 0.000 1.034 195 V CA -0.763 61.717 62.300 0.299 0.000 0.865 195 V CB 1.979 34.011 31.823 0.347 0.000 0.995 195 V HN 0.602 8.792 8.190 0.000 0.000 0.424 196 T N 7.608 122.266 114.554 0.174 0.000 2.762 196 T HA 0.353 4.703 4.350 0.001 0.000 0.303 196 T C -2.518 172.173 174.700 -0.015 0.000 0.977 196 T CA -1.091 61.091 62.100 0.137 0.000 0.961 196 T CB 1.148 70.117 68.868 0.170 0.000 0.944 196 T HN 0.397 8.637 8.240 0.000 0.000 0.481 197 P HA 0.219 4.639 4.420 0.000 0.000 0.270 197 P C -0.353 177.002 177.300 0.092 0.000 1.223 197 P CA -0.516 62.565 63.100 -0.032 0.000 0.785 197 P CB 0.376 32.101 31.700 0.042 0.000 0.923 198 A N 2.860 125.645 122.820 -0.060 0.000 2.566 198 A HA 0.248 4.569 4.320 0.001 0.000 0.245 198 A C 0.457 178.209 177.584 0.279 0.000 1.056 198 A CA 0.792 52.897 52.037 0.112 0.000 0.757 198 A CB -0.911 18.126 19.000 0.062 0.000 0.979 198 A HN 0.794 8.944 8.150 0.000 0.000 0.508 199 H N 0.090 119.159 119.070 -0.002 0.000 2.967 199 H HA 0.568 5.124 4.556 0.001 0.000 0.318 199 H C -1.529 173.498 175.328 -0.502 0.000 1.375 199 H CA -0.618 55.210 56.048 -0.367 0.000 1.132 199 H CB 0.623 29.744 29.762 -1.069 0.000 1.848 199 H HN 0.766 9.046 8.280 0.000 0.000 0.524 200 Y N -0.133 119.722 120.300 -0.743 0.000 2.549 200 Y HA 0.657 5.207 4.550 0.000 0.000 0.339 200 Y C -1.067 174.665 175.900 -0.281 0.000 1.053 200 Y CA -1.047 56.710 58.100 -0.573 0.000 1.105 200 Y CB 1.554 39.574 38.460 -0.734 0.000 1.258 200 Y HN 0.454 8.734 8.280 0.000 0.000 0.478 201 D N 1.268 121.671 120.400 0.005 0.000 2.269 201 D HA 0.168 4.808 4.640 0.001 0.000 0.244 201 D C -0.624 175.538 176.300 -0.230 0.000 0.992 201 D CA -0.543 53.373 54.000 -0.141 0.000 0.894 201 D CB 2.071 42.856 40.800 -0.024 0.000 1.248 201 D HN 0.797 9.167 8.370 0.000 0.000 0.468 202 E N 0.606 120.593 120.200 -0.355 0.000 2.311 202 E HA 0.058 4.408 4.350 0.001 0.000 0.198 202 E C -0.236 176.108 176.600 -0.426 0.000 1.115 202 E CA 0.143 56.273 56.400 -0.450 0.000 1.140 202 E CB 0.465 29.976 29.700 -0.314 0.000 1.204 202 E HN 0.249 8.609 8.360 0.000 0.000 0.446 203 Q N 0.232 119.790 119.800 -0.404 0.000 2.456 203 Q HA 0.241 4.582 4.340 0.001 0.000 0.284 203 Q C -0.731 175.134 176.000 -0.226 0.000 1.061 203 Q CA -0.927 54.682 55.803 -0.323 0.000 0.799 203 Q CB 2.054 30.566 28.738 -0.375 0.000 1.445 203 Q HN 0.070 8.340 8.270 0.000 0.000 0.411 204 Q N 1.551 121.156 119.800 -0.326 0.000 2.352 204 Q HA 0.241 4.581 4.340 0.001 0.000 0.260 204 Q C -0.604 175.339 176.000 -0.094 0.000 0.976 204 Q CA 0.231 55.755 55.803 -0.465 0.000 0.881 204 Q CB 0.614 28.499 28.738 -1.422 0.000 1.235 204 Q HN 0.387 8.657 8.270 0.000 0.000 0.419 205 N N 1.865 120.506 118.700 -0.098 0.000 2.430 205 N HA 0.300 5.040 4.740 0.001 0.000 0.290 205 N C -1.942 173.589 175.510 0.036 0.000 1.063 205 N CA -0.398 52.690 53.050 0.064 0.000 0.883 205 N CB 0.716 39.231 38.487 0.047 0.000 1.465 205 N HN 0.235 8.615 8.380 0.000 0.000 0.493 206 F N 3.270 123.447 119.950 0.379 0.000 2.385 206 F HA 0.404 4.932 4.527 0.002 0.000 0.360 206 F C -0.111 175.867 175.800 0.297 0.000 1.122 206 F CA -0.811 57.397 58.000 0.347 0.000 1.090 206 F CB 0.566 39.740 39.000 0.289 0.000 1.150 206 F HN 0.344 8.644 8.300 0.000 0.000 0.472 207 F N 4.062 124.157 119.950 0.241 0.000 2.313 207 F HA 0.673 5.200 4.527 0.001 0.000 0.369 207 F C -0.125 175.713 175.800 0.063 0.000 1.109 207 F CA -0.747 57.302 58.000 0.081 0.000 1.132 207 F CB 0.327 39.323 39.000 -0.007 0.000 1.291 207 F HN 0.482 8.782 8.300 0.000 0.000 0.496 208 A N 5.704 128.429 122.820 -0.158 0.000 2.280 208 A HA 0.432 4.753 4.320 0.001 0.000 0.320 208 A C -0.440 176.947 177.584 -0.329 0.000 1.366 208 A CA -0.617 51.306 52.037 -0.191 0.000 0.938 208 A CB 0.425 19.334 19.000 -0.153 0.000 1.157 208 A HN 0.699 8.849 8.150 0.000 0.000 0.536 209 Q N 2.090 121.744 119.800 -0.243 0.000 2.288 209 Q HA 0.546 4.887 4.340 0.001 0.000 0.254 209 Q C 0.004 175.859 176.000 -0.241 0.000 0.932 209 Q CA 0.399 56.064 55.803 -0.229 0.000 0.902 209 Q CB 0.722 29.389 28.738 -0.119 0.000 1.203 209 Q HN 0.700 8.970 8.270 0.000 0.000 0.415 210 I N 1.643 122.081 120.570 -0.219 0.000 3.739 210 I HA 0.256 4.426 4.170 0.001 0.000 0.272 210 I C 0.229 176.253 176.117 -0.155 0.000 1.167 210 I CA -0.053 61.120 61.300 -0.213 0.000 1.386 210 I CB 0.517 38.402 38.000 -0.191 0.000 1.490 210 I HN 0.410 8.620 8.210 0.000 0.000 0.452 211 K N 0.737 121.074 120.400 -0.104 0.000 2.468 211 K HA 0.519 4.839 4.320 0.001 0.000 0.252 211 K C -0.316 176.236 176.600 -0.079 0.000 0.932 211 K CA 0.131 56.378 56.287 -0.067 0.000 0.794 211 K CB 1.963 34.477 32.500 0.023 0.000 1.241 211 K HN 0.217 8.467 8.250 0.000 0.000 0.428 212 G N 1.706 110.454 108.800 -0.086 0.000 2.752 212 G HA2 -0.283 3.677 3.960 0.001 0.000 0.234 212 G HA3 -0.283 3.677 3.960 0.001 0.000 0.234 212 G C -1.570 173.205 174.900 -0.208 0.000 1.367 212 G CA -0.333 44.765 45.100 -0.004 0.000 0.879 212 G HN 0.477 8.767 8.290 0.000 0.000 0.563 213 Y N 0.144 120.463 120.300 0.033 0.000 2.425 213 Y HA 0.682 5.231 4.550 -0.001 0.000 0.344 213 Y C 0.658 176.552 175.900 -0.011 0.000 0.969 213 Y CA -0.707 57.391 58.100 -0.004 0.000 1.052 213 Y CB 2.370 40.797 38.460 -0.055 0.000 1.215 213 Y HN 0.531 8.811 8.280 0.000 0.000 0.451 214 K N 2.636 123.111 120.400 0.124 0.000 2.345 214 K HA 0.432 4.752 4.320 0.001 0.000 0.255 214 K C -0.710 175.924 176.600 0.057 0.000 0.934 214 K CA -1.051 55.311 56.287 0.124 0.000 0.801 214 K CB 2.238 34.876 32.500 0.230 0.000 1.137 214 K HN 0.557 8.807 8.250 0.000 0.000 0.424 215 R N 3.165 123.687 120.500 0.037 0.000 2.221 215 R HA 0.258 4.598 4.340 0.001 0.000 0.327 215 R C -1.232 175.134 176.300 0.109 0.000 1.033 215 R CA -0.332 55.779 56.100 0.020 0.000 0.887 215 R CB 0.347 30.655 30.300 0.013 0.000 1.057 215 R HN 0.662 8.932 8.270 0.000 0.000 0.455 216 C N 7.023 126.363 119.300 0.068 0.000 2.281 216 C HA 0.482 4.942 4.460 0.001 0.000 0.323 216 C C 0.198 175.244 174.990 0.094 0.000 1.270 216 C CA -0.817 58.233 59.018 0.053 0.000 1.559 216 C CB -0.084 27.602 27.740 -0.091 0.000 2.239 216 C HN 0.719 8.949 8.230 0.000 0.000 0.488 217 I N 4.559 125.229 120.570 0.166 0.000 2.330 217 I HA 0.373 4.543 4.170 0.001 0.000 0.289 217 I C -0.597 175.490 176.117 -0.051 0.000 1.001 217 I CA -0.210 61.129 61.300 0.065 0.000 1.193 217 I CB 0.814 38.894 38.000 0.133 0.000 1.345 217 I HN 0.348 8.558 8.210 0.000 0.000 0.461 218 L N 7.047 128.194 121.223 -0.128 0.000 2.334 218 L HA 0.597 4.938 4.340 0.001 0.000 0.273 218 L C -0.795 175.970 176.870 -0.175 0.000 1.013 218 L CA -0.157 54.712 54.840 0.048 0.000 0.816 218 L CB 1.371 43.586 42.059 0.261 0.000 1.278 218 L HN 0.265 8.495 8.230 0.000 0.000 0.431 219 F N 1.869 122.082 119.950 0.438 0.000 2.556 219 F HA 0.590 5.118 4.527 0.001 0.000 0.314 219 F C -2.179 173.588 175.800 -0.054 0.000 1.106 219 F CA -2.295 55.838 58.000 0.222 0.000 0.911 219 F CB 1.419 40.430 39.000 0.019 0.000 1.190 219 F HN 0.286 8.586 8.300 0.000 0.000 0.448 220 P HA 0.140 4.560 4.420 0.000 0.000 0.272 220 P C -2.157 174.843 177.300 -0.500 0.000 1.223 220 P CA -1.192 61.168 63.100 -1.233 0.000 0.784 220 P CB 0.394 31.676 31.700 -0.697 0.000 0.923 221 P HA -0.207 4.213 4.420 0.000 0.000 0.217 221 P C 0.724 178.002 177.300 -0.037 0.000 1.148 221 P CA 1.568 64.558 63.100 -0.184 0.000 0.828 221 P CB -0.352 31.221 31.700 -0.212 0.000 0.783 222 D N -1.166 119.173 120.400 -0.102 0.000 2.378 222 D HA -0.140 4.500 4.640 0.001 0.000 0.227 222 D C 1.197 177.486 176.300 -0.019 0.000 1.012 222 D CA 0.696 54.665 54.000 -0.051 0.000 0.905 222 D CB -0.990 39.773 40.800 -0.062 0.000 0.895 222 D HN 0.254 8.624 8.370 0.000 0.000 0.532 223 Q N -1.051 118.743 119.800 -0.010 0.000 2.204 223 Q HA 0.138 4.479 4.340 0.001 0.000 0.209 223 Q C 0.627 176.532 176.000 -0.158 0.000 0.861 223 Q CA -0.525 55.214 55.803 -0.107 0.000 0.971 223 Q CB -0.109 28.527 28.738 -0.170 0.000 1.095 223 Q HN 0.233 8.503 8.270 0.000 0.000 0.486 224 F N 2.201 122.112 119.950 -0.065 0.000 2.111 224 F HA -0.301 4.226 4.527 0.001 0.000 0.300 224 F C 1.715 177.363 175.800 -0.255 0.000 1.088 224 F CA 1.902 59.900 58.000 -0.003 0.000 1.243 224 F CB 0.258 39.284 39.000 0.042 0.000 0.996 224 F HN 0.138 8.438 8.300 0.000 0.000 0.483 225 E N -1.157 119.048 120.200 0.007 0.000 2.204 225 E HA -0.225 4.125 4.350 0.001 0.000 0.195 225 E C 2.030 178.304 176.600 -0.544 0.000 0.990 225 E CA 1.282 57.568 56.400 -0.191 0.000 0.821 225 E CB -0.302 29.347 29.700 -0.084 0.000 0.750 225 E HN 0.453 8.813 8.360 0.000 0.000 0.477 226 C N -0.398 118.620 119.300 -0.470 0.000 2.799 226 C HA 0.217 4.677 4.460 0.001 0.000 0.267 226 C C 1.905 176.670 174.990 -0.375 0.000 1.257 226 C CA -0.143 58.654 59.018 -0.368 0.000 1.702 226 C CB -0.313 27.239 27.740 -0.314 0.000 1.934 226 C HN 0.342 8.572 8.230 0.000 0.000 0.594 227 L N -2.100 118.687 121.223 -0.726 0.000 2.781 227 L HA 0.257 4.597 4.340 0.001 0.000 0.245 227 L C -0.192 176.323 176.870 -0.591 0.000 1.118 227 L CA -0.026 54.344 54.840 -0.784 0.000 0.918 227 L CB 0.099 41.171 42.059 -1.646 0.000 1.246 227 L HN 0.214 8.444 8.230 0.000 0.000 0.526 228 Y N -0.181 119.782 120.300 -0.561 0.000 3.001 228 Y HA -0.176 4.374 4.550 0.001 0.000 0.187 228 Y C -2.049 173.610 175.900 -0.402 0.000 1.462 228 Y CA -1.072 56.769 58.100 -0.431 0.000 0.936 228 Y CB -1.952 36.259 38.460 -0.416 0.000 1.337 228 Y HN 0.167 8.447 8.280 0.000 0.000 0.428 229 P HA -0.023 4.397 4.420 0.000 0.000 0.269 229 P C 0.164 177.445 177.300 -0.032 0.000 1.215 229 P CA 0.071 63.199 63.100 0.047 0.000 0.780 229 P CB 0.679 32.519 31.700 0.233 0.000 0.898 230 Y N 1.059 121.338 120.300 -0.035 0.000 2.607 230 Y HA 0.036 4.586 4.550 0.001 0.000 0.348 230 Y C -1.127 174.760 175.900 -0.021 0.000 1.261 230 Y CA -0.916 57.099 58.100 -0.142 0.000 1.480 230 Y CB -1.469 36.769 38.460 -0.370 0.000 1.358 230 Y HN 0.352 8.632 8.280 0.000 0.000 0.630 231 P HA -0.097 4.323 4.420 0.000 0.000 0.266 231 P C 0.667 178.065 177.300 0.164 0.000 1.193 231 P CA 0.263 63.491 63.100 0.213 0.000 0.770 231 P CB 0.533 32.418 31.700 0.308 0.000 0.836 232 V N 2.323 122.305 119.914 0.114 0.000 2.469 232 V HA -0.255 3.865 4.120 0.001 0.000 0.251 232 V C 1.810 177.829 176.094 -0.125 0.000 1.064 232 V CA 1.881 64.160 62.300 -0.035 0.000 1.066 232 V CB -1.270 30.478 31.823 -0.125 0.000 0.667 232 V HN 0.661 8.851 8.190 0.000 0.000 0.461 233 H N -2.356 116.804 119.070 0.150 0.000 2.548 233 H HA 0.093 4.650 4.556 0.001 0.000 0.265 233 H C 1.079 176.442 175.328 0.059 0.000 0.969 233 H CA 0.055 56.211 56.048 0.180 0.000 1.155 233 H CB -0.082 29.861 29.762 0.303 0.000 1.394 233 H HN 0.466 8.746 8.280 0.000 0.000 0.570 234 H N 2.187 121.087 119.070 -0.283 0.000 2.815 234 H HA -0.010 4.547 4.556 0.001 0.000 0.350 234 H C -1.571 173.393 175.328 -0.607 0.000 1.080 234 H CA -1.556 53.914 56.048 -0.963 0.000 1.433 234 H CB 1.720 30.989 29.762 -0.820 0.000 1.432 234 H HN 0.008 8.288 8.280 0.000 0.000 0.592 235 P HA -0.133 4.287 4.420 0.000 0.000 0.217 235 P C 0.774 177.815 177.300 -0.433 0.000 1.148 235 P CA 1.287 64.032 63.100 -0.593 0.000 0.828 235 P CB 0.140 31.323 31.700 -0.861 0.000 0.783 236 C N -1.167 117.873 119.300 -0.433 0.000 2.525 236 C HA 0.190 4.651 4.460 0.001 0.000 0.313 236 C C 0.835 175.768 174.990 -0.096 0.000 1.311 236 C CA -1.068 57.663 59.018 -0.479 0.000 1.725 236 C CB -2.367 24.709 27.740 -1.106 0.000 1.926 236 C HN 0.237 8.467 8.230 0.000 0.000 0.595 237 D N 1.121 121.502 120.400 -0.030 0.000 2.752 237 D HA -0.083 4.557 4.640 0.001 0.000 0.225 237 D C 1.086 177.410 176.300 0.040 0.000 1.104 237 D CA 1.279 55.303 54.000 0.039 0.000 0.832 237 D CB 0.336 41.124 40.800 -0.020 0.000 1.161 237 D HN 0.520 8.890 8.370 0.000 0.000 0.505 238 R N 0.583 121.036 120.500 -0.078 0.000 3.489 238 R HA -0.160 4.180 4.340 0.001 0.000 0.489 238 R C -0.094 175.971 176.300 -0.391 0.000 0.770 238 R CA 0.708 56.459 56.100 -0.581 0.000 1.404 238 R CB -1.662 28.104 30.300 -0.890 0.000 2.091 238 R HN 0.651 8.921 8.270 0.000 0.000 0.456 239 H N 0.229 119.327 119.070 0.046 0.000 2.479 239 H HA 0.292 4.848 4.556 0.001 0.000 0.335 239 H C 0.096 175.631 175.328 0.345 0.000 1.142 239 H CA -0.357 55.835 56.048 0.240 0.000 1.234 239 H CB 1.896 31.768 29.762 0.185 0.000 1.503 239 H HN -0.037 8.243 8.280 0.000 0.000 0.510 240 S N 1.168 117.114 115.700 0.410 0.000 2.562 240 S HA -0.039 4.431 4.470 0.001 0.000 0.281 240 S C 1.148 175.656 174.600 -0.152 0.000 1.333 240 S CA -0.286 57.945 58.200 0.052 0.000 1.052 240 S CB 0.619 63.786 63.200 -0.055 0.000 0.884 240 S HN 0.626 8.936 8.310 0.000 0.000 0.506 241 Q N 2.258 121.717 119.800 -0.568 0.000 2.389 241 Q HA 0.081 4.421 4.340 0.001 0.000 0.204 241 Q C 0.110 175.686 176.000 -0.708 0.000 0.944 241 Q CA 0.323 55.638 55.803 -0.813 0.000 0.908 241 Q CB 0.119 28.275 28.738 -0.970 0.000 1.002 241 Q HN 0.573 8.843 8.270 0.000 0.000 0.493 242 V N 2.749 122.153 119.914 -0.850 0.000 2.521 242 V HA -0.038 4.082 4.120 0.001 0.000 0.286 242 V C 0.097 176.026 176.094 -0.276 0.000 1.034 242 V CA -0.190 61.624 62.300 -0.810 0.000 1.045 242 V CB 0.671 31.817 31.823 -1.127 0.000 0.974 242 V HN 0.126 8.316 8.190 0.000 0.000 0.480 243 D N 4.109 124.415 120.400 -0.155 0.000 2.344 243 D HA 0.118 4.759 4.640 0.001 0.000 0.253 243 D C 0.663 177.034 176.300 0.120 0.000 1.255 243 D CA -0.211 53.812 54.000 0.039 0.000 0.894 243 D CB 0.599 41.425 40.800 0.044 0.000 1.067 243 D HN 0.352 8.722 8.370 0.000 0.000 0.492 244 F N 1.865 121.805 119.950 -0.016 0.000 2.269 244 F HA -0.123 4.404 4.527 0.001 0.000 0.301 244 F C 1.949 177.959 175.800 0.350 0.000 1.082 244 F CA 0.773 58.865 58.000 0.155 0.000 1.360 244 F CB -0.054 39.031 39.000 0.142 0.000 1.041 244 F HN 0.415 8.715 8.300 0.000 0.000 0.512 245 D N -1.087 119.603 120.400 0.484 0.000 2.194 245 D HA -0.090 4.550 4.640 0.001 0.000 0.204 245 D C 0.766 177.195 176.300 0.215 0.000 0.964 245 D CA 0.869 55.096 54.000 0.379 0.000 0.846 245 D CB -0.143 40.872 40.800 0.358 0.000 0.962 245 D HN 0.275 8.645 8.370 0.000 0.000 0.490 246 N N 0.597 119.380 118.700 0.138 0.000 2.707 246 N HA 0.156 4.896 4.740 0.001 0.000 0.249 246 N C -2.985 172.483 175.510 -0.071 0.000 1.299 246 N CA -1.177 51.898 53.050 0.042 0.000 0.769 246 N CB 1.681 40.195 38.487 0.045 0.000 1.236 246 N HN -0.234 8.146 8.380 0.000 0.000 0.524 247 P HA 0.141 4.561 4.420 0.000 0.000 0.282 247 P C -0.850 176.121 177.300 -0.547 0.000 1.262 247 P CA -0.119 62.712 63.100 -0.447 0.000 0.773 247 P CB 0.814 32.165 31.700 -0.582 0.000 0.879 248 D N 2.647 122.886 120.400 -0.268 0.000 2.453 248 D HA 0.035 4.676 4.640 0.001 0.000 0.223 248 D C 0.267 176.432 176.300 -0.224 0.000 1.183 248 D CA -0.263 53.601 54.000 -0.227 0.000 0.933 248 D CB 0.030 40.708 40.800 -0.203 0.000 1.038 248 D HN 0.237 8.607 8.370 0.000 0.000 0.513 249 Y N 1.479 121.772 120.300 -0.011 0.000 2.421 249 Y HA -0.092 4.458 4.550 0.001 0.000 0.292 249 Y C 2.114 177.963 175.900 -0.084 0.000 1.136 249 Y CA 0.500 58.601 58.100 0.001 0.000 1.255 249 Y CB 0.068 38.554 38.460 0.043 0.000 0.991 249 Y HN 0.385 8.665 8.280 0.000 0.000 0.552 250 E N 0.250 120.439 120.200 -0.018 0.000 2.047 250 E HA -0.141 4.209 4.350 0.001 0.000 0.191 250 E C 2.188 178.643 176.600 -0.242 0.000 0.987 250 E CA 1.041 57.383 56.400 -0.097 0.000 0.799 250 E CB -0.279 29.358 29.700 -0.104 0.000 0.752 250 E HN 0.493 8.853 8.360 0.000 0.000 0.449 251 R N -0.436 119.764 120.500 -0.500 0.000 2.119 251 R HA 0.021 4.361 4.340 0.001 0.000 0.222 251 R C 0.424 176.092 176.300 -1.054 0.000 1.088 251 R CA 0.614 56.172 56.100 -0.904 0.000 0.984 251 R CB 0.086 29.488 30.300 -1.497 0.000 0.884 251 R HN 0.058 8.328 8.270 0.000 0.000 0.447 252 F N 0.604 120.306 119.950 -0.414 0.000 2.542 252 F HA 0.330 4.858 4.527 0.001 0.000 0.323 252 F C -1.793 173.951 175.800 -0.093 0.000 1.411 252 F CA -2.979 54.585 58.000 -0.726 0.000 1.124 252 F CB 1.089 39.598 39.000 -0.819 0.000 1.331 252 F HN -0.161 8.139 8.300 0.000 0.000 0.560 253 P HA -0.160 4.260 4.420 0.000 0.000 0.216 253 P C 0.672 178.142 177.300 0.282 0.000 1.150 253 P CA 1.561 64.796 63.100 0.226 0.000 0.837 253 P CB 0.265 32.045 31.700 0.133 0.000 0.786 254 N N -1.423 117.501 118.700 0.373 0.000 2.571 254 N HA -0.049 4.692 4.740 0.001 0.000 0.189 254 N C 1.174 176.815 175.510 0.218 0.000 1.154 254 N CA -0.039 53.153 53.050 0.236 0.000 0.907 254 N CB -0.747 37.824 38.487 0.140 0.000 0.977 254 N HN 0.022 8.402 8.380 0.000 0.000 0.449 255 F N 1.568 121.652 119.950 0.224 0.000 2.451 255 F HA -0.045 4.482 4.527 0.000 0.000 0.299 255 F C 1.855 177.709 175.800 0.091 0.000 1.101 255 F CA 1.040 59.089 58.000 0.081 0.000 1.436 255 F CB 0.050 39.106 39.000 0.094 0.000 1.074 255 F HN 0.074 8.374 8.300 0.000 0.000 0.553 256 Q N -0.431 119.431 119.800 0.104 0.000 2.488 256 Q HA -0.112 4.228 4.340 0.001 0.000 0.211 256 Q C 0.810 176.728 176.000 -0.137 0.000 0.967 256 Q CA 1.256 56.995 55.803 -0.106 0.000 0.926 256 Q CB -0.213 28.406 28.738 -0.198 0.000 0.992 256 Q HN 0.553 8.823 8.270 0.000 0.000 0.506 257 N N -1.208 117.411 118.700 -0.134 0.000 2.184 257 N HA 0.087 4.828 4.740 0.001 0.000 0.206 257 N C -0.632 174.769 175.510 -0.181 0.000 1.151 257 N CA -0.223 52.752 53.050 -0.125 0.000 0.878 257 N CB 1.298 39.738 38.487 -0.079 0.000 1.014 257 N HN -0.088 8.292 8.380 0.000 0.000 0.512 258 V N 1.694 121.410 119.914 -0.330 0.000 2.637 258 V HA 0.189 4.309 4.120 0.001 0.000 0.296 258 V C -0.433 175.536 176.094 -0.208 0.000 1.046 258 V CA 0.103 62.149 62.300 -0.422 0.000 1.066 258 V CB 0.968 32.228 31.823 -0.938 0.000 0.968 258 V HN -0.135 8.055 8.190 0.000 0.000 0.483 259 V N 6.306 126.194 119.914 -0.044 0.000 2.569 259 V HA 0.661 4.782 4.120 0.001 0.000 0.301 259 V C 0.468 176.604 176.094 0.070 0.000 1.044 259 V CA -0.125 62.192 62.300 0.028 0.000 0.874 259 V CB 1.396 33.190 31.823 -0.048 0.000 1.002 259 V HN 0.981 9.171 8.190 0.000 0.000 0.424 260 G N 2.492 111.290 108.800 -0.004 0.000 2.488 260 G HA2 0.619 4.580 3.960 0.001 0.000 0.318 260 G HA3 0.619 4.580 3.960 0.001 0.000 0.318 260 G C -1.649 173.086 174.900 -0.276 0.000 1.188 260 G CA -0.428 44.461 45.100 -0.352 0.000 0.944 260 G HN 0.500 8.790 8.290 0.000 0.000 0.495 261 Y N 0.045 120.268 120.300 -0.127 0.000 2.328 261 Y HA 0.403 4.953 4.550 0.000 0.000 0.336 261 Y C 0.473 176.363 175.900 -0.018 0.000 0.960 261 Y CA -0.739 57.365 58.100 0.007 0.000 1.134 261 Y CB 1.792 40.312 38.460 0.100 0.000 1.166 261 Y HN 0.734 9.014 8.280 0.000 0.000 0.464 262 E N 1.021 121.306 120.200 0.142 0.000 2.336 262 E HA 0.839 5.189 4.350 0.001 0.000 0.267 262 E C -1.321 175.344 176.600 0.108 0.000 0.906 262 E CA -0.986 55.480 56.400 0.109 0.000 0.781 262 E CB 2.751 32.516 29.700 0.107 0.000 1.261 262 E HN 0.444 8.804 8.360 0.000 0.000 0.436 263 T N 0.375 114.977 114.554 0.080 0.000 2.840 263 T HA 0.362 4.713 4.350 0.001 0.000 0.317 263 T C -1.824 172.891 174.700 0.024 0.000 1.401 263 T CA -0.606 61.540 62.100 0.077 0.000 1.028 263 T CB 1.706 70.622 68.868 0.079 0.000 1.317 263 T HN 0.338 8.578 8.240 0.000 0.000 0.495 264 V N 3.925 123.847 119.914 0.012 0.000 2.357 264 V HA 0.558 4.679 4.120 0.001 0.000 0.284 264 V C 0.292 176.437 176.094 0.085 0.000 1.018 264 V CA -0.679 61.569 62.300 -0.085 0.000 0.841 264 V CB 1.233 32.723 31.823 -0.555 0.000 0.991 264 V HN 0.775 8.965 8.190 0.000 0.000 0.437 265 V N 2.849 122.818 119.914 0.091 0.000 2.539 265 V HA 1.030 5.150 4.120 0.001 0.000 0.292 265 V C 0.485 176.598 176.094 0.030 0.000 1.045 265 V CA 0.042 62.405 62.300 0.104 0.000 0.945 265 V CB 1.071 32.976 31.823 0.136 0.000 0.993 265 V HN 0.840 9.030 8.190 0.000 0.000 0.464 266 G N 2.857 111.610 108.800 -0.079 0.000 3.042 266 G HA2 0.724 4.685 3.960 0.001 0.000 0.278 266 G HA3 0.724 4.685 3.960 0.001 0.000 0.278 266 G C -3.188 171.512 174.900 -0.334 0.000 1.371 266 G CA -2.126 42.656 45.100 -0.531 0.000 1.009 266 G HN 0.631 8.921 8.290 0.000 0.000 0.523 267 P HA 0.166 4.586 4.420 0.000 0.000 0.258 267 P C 0.915 178.111 177.300 -0.174 0.000 1.172 267 P CA 2.020 64.975 63.100 -0.240 0.000 0.762 267 P CB 0.721 32.300 31.700 -0.201 0.000 0.764 268 G N 2.378 111.065 108.800 -0.189 0.000 2.234 268 G HA2 -0.180 3.780 3.960 0.001 0.000 0.235 268 G HA3 -0.180 3.780 3.960 0.001 0.000 0.235 268 G C -0.072 174.724 174.900 -0.173 0.000 0.997 268 G CA -0.361 44.632 45.100 -0.178 0.000 0.623 268 G HN 0.486 8.776 8.290 0.000 0.000 0.514 269 D N 0.428 120.750 120.400 -0.130 0.000 2.345 269 D HA 0.520 5.160 4.640 0.001 0.000 0.247 269 D C 0.219 176.469 176.300 -0.083 0.000 1.108 269 D CA 0.129 54.078 54.000 -0.085 0.000 0.894 269 D CB 2.017 42.809 40.800 -0.014 0.000 1.203 269 D HN 0.196 8.566 8.370 0.000 0.000 0.430 270 V N 2.777 122.650 119.914 -0.068 0.000 2.444 270 V HA 0.220 4.340 4.120 0.001 0.000 0.294 270 V C -0.362 175.817 176.094 0.143 0.000 1.022 270 V CA -0.918 61.386 62.300 0.008 0.000 0.850 270 V CB 1.731 33.468 31.823 -0.143 0.000 0.992 270 V HN 0.301 8.491 8.190 0.000 0.000 0.426 271 L N 5.908 127.283 121.223 0.253 0.000 2.272 271 L HA 0.524 4.864 4.340 0.001 0.000 0.289 271 L C -0.751 176.298 176.870 0.299 0.000 1.032 271 L CA -0.318 54.651 54.840 0.215 0.000 0.810 271 L CB 0.941 43.064 42.059 0.107 0.000 1.205 271 L HN 0.660 8.890 8.230 0.000 0.000 0.422 272 Y N 6.540 126.925 120.300 0.142 0.000 2.531 272 Y HA 0.430 4.980 4.550 0.000 0.000 0.347 272 Y C -0.435 175.343 175.900 -0.204 0.000 1.024 272 Y CA -0.866 57.236 58.100 0.003 0.000 1.306 272 Y CB 0.165 38.653 38.460 0.046 0.000 1.149 272 Y HN 0.529 8.809 8.280 0.000 0.000 0.527 273 I N 10.422 130.648 120.570 -0.572 0.000 2.307 273 I HA 0.273 4.444 4.170 0.001 0.000 0.287 273 I C -2.281 173.253 176.117 -0.971 0.000 1.054 273 I CA -2.141 58.718 61.300 -0.735 0.000 1.218 273 I CB 0.856 38.484 38.000 -0.620 0.000 1.398 273 I HN 0.489 8.699 8.210 0.000 0.000 0.475 274 P HA 0.054 4.474 4.420 0.000 0.000 0.271 274 P C -0.028 177.090 177.300 -0.304 0.000 1.218 274 P CA -0.444 62.066 63.100 -0.984 0.000 0.780 274 P CB 0.608 31.714 31.700 -0.990 0.000 0.901 275 M N 3.923 123.404 119.600 -0.198 0.000 2.240 275 M HA -0.108 4.372 4.480 0.001 0.000 0.346 275 M C -0.110 176.233 176.300 0.070 0.000 1.236 275 M CA 0.891 56.089 55.300 -0.170 0.000 0.986 275 M CB -0.574 31.854 32.600 -0.287 0.000 1.786 275 M HN 0.474 8.764 8.290 0.000 0.000 0.457 276 Y N 0.299 120.610 120.300 0.018 0.000 4.897 276 Y HA -0.274 4.276 4.550 0.001 0.000 0.263 276 Y C -0.619 175.209 175.900 -0.119 0.000 0.945 276 Y CA 1.140 59.170 58.100 -0.117 0.000 1.858 276 Y CB -2.242 36.111 38.460 -0.180 0.000 1.296 276 Y HN 0.720 9.000 8.280 0.000 0.000 0.490 277 W N 1.507 122.799 121.300 -0.013 0.000 2.304 277 W HA 0.371 5.032 4.660 0.001 0.000 0.313 277 W C 0.235 176.855 176.519 0.168 0.000 1.323 277 W CA -0.513 56.867 57.345 0.057 0.000 1.223 277 W CB 0.050 29.496 29.460 -0.023 0.000 1.237 277 W HN 0.002 8.182 8.180 0.000 0.000 0.535 278 W N 5.340 126.853 121.300 0.355 0.000 2.223 278 W HA 0.110 4.770 4.660 0.000 0.000 0.334 278 W C 0.760 177.510 176.519 0.385 0.000 1.334 278 W CA 0.432 57.965 57.345 0.312 0.000 1.246 278 W CB 0.067 29.737 29.460 0.351 0.000 1.184 278 W HN 0.249 8.429 8.180 0.000 0.000 0.563 279 H N 0.693 119.890 119.070 0.212 0.000 2.954 279 H HA 0.337 4.893 4.556 0.001 0.000 0.361 279 H C -1.822 173.572 175.328 0.111 0.000 1.122 279 H CA -1.117 54.992 56.048 0.103 0.000 1.217 279 H CB 1.161 30.873 29.762 -0.085 0.000 1.776 279 H HN 0.684 8.964 8.280 0.000 0.000 0.533 280 H N 2.947 122.101 119.070 0.140 0.000 2.505 280 H HA 0.636 5.193 4.556 0.000 0.000 0.338 280 H C -1.251 174.150 175.328 0.122 0.000 1.057 280 H CA -0.631 55.467 56.048 0.084 0.000 1.202 280 H CB 0.896 30.688 29.762 0.051 0.000 1.466 280 H HN 0.564 8.844 8.280 0.000 0.000 0.499 281 I N 5.546 126.069 120.570 -0.078 0.000 2.466 281 I HA 0.228 4.399 4.170 0.001 0.000 0.289 281 I C -0.995 175.147 176.117 0.041 0.000 1.026 281 I CA -0.593 60.742 61.300 0.060 0.000 1.078 281 I CB 1.789 39.857 38.000 0.113 0.000 1.249 281 I HN 0.700 8.910 8.210 0.000 0.000 0.429 282 E N 4.574 124.859 120.200 0.142 0.000 2.256 282 E HA 0.497 4.847 4.350 0.001 0.000 0.268 282 E C -1.379 175.315 176.600 0.157 0.000 0.877 282 E CA -0.815 55.690 56.400 0.174 0.000 0.757 282 E CB 1.892 31.760 29.700 0.279 0.000 1.183 282 E HN 0.346 8.706 8.360 0.000 0.000 0.418 283 S N 4.020 119.798 115.700 0.130 0.000 2.474 283 S HA 0.185 4.655 4.470 0.001 0.000 0.276 283 S C 0.601 175.253 174.600 0.086 0.000 1.227 283 S CA -0.658 57.597 58.200 0.091 0.000 1.050 283 S CB 0.090 63.306 63.200 0.026 0.000 0.939 283 S HN 0.396 8.706 8.310 0.000 0.000 0.490 284 L N 3.838 125.109 121.223 0.079 0.000 2.543 284 L HA 0.035 4.375 4.340 0.001 0.000 0.285 284 L C 0.307 177.216 176.870 0.066 0.000 1.236 284 L CA -0.145 54.732 54.840 0.060 0.000 0.871 284 L CB -0.229 41.852 42.059 0.038 0.000 1.121 284 L HN 0.492 8.722 8.230 0.000 0.000 0.501 285 L N 4.126 125.382 121.223 0.055 0.000 2.540 285 L HA -0.059 4.282 4.340 0.001 0.000 0.276 285 L C 0.948 177.849 176.870 0.052 0.000 1.212 285 L CA 0.345 55.213 54.840 0.046 0.000 0.893 285 L CB -0.409 41.667 42.059 0.029 0.000 1.138 285 L HN 0.710 8.940 8.230 0.000 0.000 0.491 286 N N 1.568 120.297 118.700 0.048 0.000 2.714 286 N HA -0.186 4.554 4.740 0.001 0.000 0.250 286 N C 0.901 176.448 175.510 0.062 0.000 1.117 286 N CA 0.788 53.867 53.050 0.049 0.000 0.719 286 N CB -0.647 37.865 38.487 0.041 0.000 1.081 286 N HN 0.943 9.323 8.380 0.000 0.000 0.557 287 G N -0.873 107.972 108.800 0.074 0.000 3.088 287 G HA2 0.498 4.458 3.960 0.001 0.000 0.217 287 G HA3 0.498 4.458 3.960 0.001 0.000 0.217 287 G C 0.919 175.882 174.900 0.105 0.000 1.159 287 G CA 0.559 45.721 45.100 0.103 0.000 0.760 287 G HN 0.746 9.036 8.290 0.000 0.000 0.550 288 G N 0.233 109.077 108.800 0.073 0.000 2.725 288 G HA2 -0.098 3.862 3.960 0.001 0.000 0.220 288 G HA3 -0.098 3.862 3.960 0.001 0.000 0.220 288 G C 0.217 175.149 174.900 0.053 0.000 1.357 288 G CA -0.292 44.844 45.100 0.061 0.000 0.866 288 G HN 1.165 9.455 8.290 0.000 0.000 0.548 289 I N -1.146 119.451 120.570 0.045 0.000 2.779 289 I HA 0.688 4.858 4.170 0.001 0.000 0.285 289 I C 0.825 176.971 176.117 0.049 0.000 1.134 289 I CA 0.179 61.500 61.300 0.036 0.000 1.398 289 I CB 1.365 39.392 38.000 0.044 0.000 1.404 289 I HN 1.048 9.258 8.210 0.000 0.000 0.587 290 T N 3.840 118.414 114.554 0.033 0.000 2.885 290 T HA 0.763 5.113 4.350 0.001 0.000 0.285 290 T C -0.486 174.252 174.700 0.062 0.000 1.019 290 T CA -0.712 61.412 62.100 0.040 0.000 1.010 290 T CB 1.584 70.474 68.868 0.037 0.000 1.022 290 T HN 0.566 8.806 8.240 0.000 0.000 0.466 291 I N 1.850 122.452 120.570 0.052 0.000 2.533 291 I HA 0.535 4.706 4.170 0.001 0.000 0.290 291 I C -0.461 175.646 176.117 -0.017 0.000 1.056 291 I CA -0.740 60.607 61.300 0.078 0.000 1.057 291 I CB 2.603 40.695 38.000 0.153 0.000 1.240 291 I HN 0.742 8.952 8.210 0.000 0.000 0.423 292 T N 4.556 119.081 114.554 -0.048 0.000 2.909 292 T HA 0.575 4.925 4.350 0.001 0.000 0.299 292 T C -0.814 173.765 174.700 -0.202 0.000 1.073 292 T CA -0.590 61.358 62.100 -0.254 0.000 0.999 292 T CB 2.589 71.163 68.868 -0.490 0.000 1.098 292 T HN 0.174 8.414 8.240 0.000 0.000 0.477 293 V N 3.821 123.565 119.914 -0.284 0.000 2.531 293 V HA 0.531 4.652 4.120 0.001 0.000 0.301 293 V C -0.393 175.511 176.094 -0.316 0.000 1.034 293 V CA -1.054 61.105 62.300 -0.236 0.000 0.865 293 V CB 1.690 33.408 31.823 -0.175 0.000 0.995 293 V HN 0.994 9.184 8.190 0.000 0.000 0.424 294 N N 3.112 121.598 118.700 -0.357 0.000 2.485 294 N HA 0.602 5.343 4.740 0.001 0.000 0.280 294 N C -1.354 174.008 175.510 -0.247 0.000 1.205 294 N CA -0.690 52.191 53.050 -0.281 0.000 0.959 294 N CB 1.171 39.347 38.487 -0.517 0.000 1.206 294 N HN 0.300 8.680 8.380 0.000 0.000 0.545 295 F N -0.252 119.647 119.950 -0.085 0.000 2.500 295 F HA 0.337 4.865 4.527 0.000 0.000 0.349 295 F C -0.774 175.068 175.800 0.071 0.000 1.127 295 F CA -0.709 57.336 58.000 0.076 0.000 0.998 295 F CB 0.922 40.143 39.000 0.369 0.000 1.237 295 F HN 0.319 8.619 8.300 0.000 0.000 0.439 296 W N 4.512 125.835 121.300 0.037 0.000 2.335 296 W HA 0.393 5.054 4.660 0.002 0.000 0.307 296 W C -1.063 175.335 176.519 -0.202 0.000 1.117 296 W CA -1.333 55.989 57.345 -0.038 0.000 1.228 296 W CB 0.842 30.271 29.460 -0.052 0.000 1.240 296 W HN 0.393 8.573 8.180 0.000 0.000 0.468 297 Y N 2.363 122.783 120.300 0.199 0.000 2.393 297 Y HA 0.258 4.808 4.550 0.000 0.000 0.341 297 Y C 0.739 176.571 175.900 -0.114 0.000 0.988 297 Y CA -1.019 57.121 58.100 0.067 0.000 1.078 297 Y CB 1.565 40.065 38.460 0.067 0.000 1.203 297 Y HN 0.142 8.422 8.280 0.000 0.000 0.453 298 K N 1.707 122.160 120.400 0.090 0.000 2.489 298 K HA 0.159 4.479 4.320 0.001 0.000 0.278 298 K C 0.624 177.194 176.600 -0.050 0.000 1.000 298 K CA -0.005 56.277 56.287 -0.009 0.000 1.012 298 K CB 0.392 32.912 32.500 0.033 0.000 0.903 298 K HN 0.931 9.181 8.250 0.000 0.000 0.485 299 G N 1.319 110.042 108.800 -0.129 0.000 2.614 299 G HA2 0.292 4.252 3.960 0.001 0.000 0.239 299 G HA3 0.292 4.252 3.960 0.001 0.000 0.239 299 G C -0.272 174.665 174.900 0.061 0.000 1.240 299 G CA -0.496 44.527 45.100 -0.128 0.000 0.842 299 G HN 0.735 9.025 8.290 0.000 0.000 0.584 300 A N 2.134 125.065 122.820 0.186 0.000 2.520 300 A HA 0.472 4.792 4.320 0.001 0.000 0.235 300 A C -0.975 176.683 177.584 0.124 0.000 1.065 300 A CA -0.644 51.515 52.037 0.203 0.000 0.764 300 A CB -0.271 18.873 19.000 0.240 0.000 1.002 300 A HN 0.663 8.813 8.150 0.000 0.000 0.502 301 P HA 0.152 4.572 4.420 0.000 0.000 0.271 301 P C -0.220 177.126 177.300 0.077 0.000 1.233 301 P CA -0.173 62.974 63.100 0.078 0.000 0.789 301 P CB -0.027 31.711 31.700 0.064 0.000 0.951 302 T N 3.324 117.918 114.554 0.067 0.000 2.831 302 T HA 0.144 4.494 4.350 0.001 0.000 0.291 302 T C -1.684 173.042 174.700 0.043 0.000 0.981 302 T CA -0.468 61.666 62.100 0.058 0.000 1.174 302 T CB -0.895 67.999 68.868 0.043 0.000 0.929 302 T HN 0.423 8.663 8.240 0.000 0.000 0.532 303 P HA 0.152 4.572 4.420 0.000 0.000 0.268 303 P C 0.490 177.799 177.300 0.016 0.000 1.208 303 P CA -0.415 62.700 63.100 0.026 0.000 0.777 303 P CB 0.936 32.648 31.700 0.018 0.000 0.875 304 K N 0.975 121.385 120.400 0.017 0.000 2.032 304 K HA -0.079 4.242 4.320 0.001 0.000 0.209 304 K C 0.982 177.590 176.600 0.014 0.000 1.048 304 K CA 1.471 57.767 56.287 0.016 0.000 0.927 304 K CB -0.116 32.394 32.500 0.016 0.000 0.712 304 K HN 0.352 8.602 8.250 0.000 0.000 0.441 305 R N 0.934 121.440 120.500 0.010 0.000 2.393 305 R HA 0.309 4.650 4.340 0.001 0.000 0.310 305 R C -0.444 175.849 176.300 -0.012 0.000 0.968 305 R CA -0.719 55.387 56.100 0.011 0.000 0.867 305 R CB 0.843 31.154 30.300 0.017 0.000 1.124 305 R HN 0.026 8.296 8.270 0.000 0.000 0.450 306 I N 1.123 121.681 120.570 -0.019 0.000 2.474 306 I HA 0.201 4.372 4.170 0.001 0.000 0.287 306 I C 0.792 176.818 176.117 -0.151 0.000 1.048 306 I CA 0.022 61.252 61.300 -0.117 0.000 1.383 306 I CB 0.596 38.510 38.000 -0.145 0.000 1.412 306 I HN 0.376 8.586 8.210 0.000 0.000 0.531 307 E N 4.329 124.375 120.200 -0.257 0.000 2.202 307 E HA 0.510 4.860 4.350 0.001 0.000 0.272 307 E C -1.667 174.693 176.600 -0.399 0.000 0.951 307 E CA -0.688 55.602 56.400 -0.183 0.000 0.813 307 E CB 1.209 30.856 29.700 -0.087 0.000 1.151 307 E HN 0.454 8.814 8.360 0.000 0.000 0.398 308 Y N 1.844 122.131 120.300 -0.022 0.000 2.485 308 Y HA 0.380 4.931 4.550 0.001 0.000 0.345 308 Y C -1.598 174.288 175.900 -0.024 0.000 0.998 308 Y CA -1.776 56.307 58.100 -0.029 0.000 1.059 308 Y CB 1.022 39.466 38.460 -0.027 0.000 1.234 308 Y HN 0.513 8.793 8.280 0.000 0.000 0.461 309 P HA 0.188 4.608 4.420 0.000 0.000 0.274 309 P C -0.968 176.310 177.300 -0.035 0.000 1.237 309 P CA -0.503 62.670 63.100 0.122 0.000 0.793 309 P CB 0.896 32.633 31.700 0.061 0.000 0.977 310 L N 1.367 122.546 121.223 -0.073 0.000 2.483 310 L HA 0.093 4.433 4.340 0.001 0.000 0.276 310 L C 1.237 177.988 176.870 -0.198 0.000 1.213 310 L CA 0.435 55.146 54.840 -0.214 0.000 0.843 310 L CB -0.494 41.447 42.059 -0.196 0.000 1.107 310 L HN 0.377 8.607 8.230 0.000 0.000 0.487 311 K N 1.776 122.006 120.400 -0.284 0.000 2.202 311 K HA 0.247 4.567 4.320 0.001 0.000 0.264 311 K C 1.025 177.410 176.600 -0.358 0.000 1.010 311 K CA 0.172 56.283 56.287 -0.294 0.000 0.940 311 K CB 0.663 32.949 32.500 -0.357 0.000 0.983 311 K HN 0.716 8.966 8.250 0.000 0.000 0.475 312 A N 1.921 124.595 122.820 -0.243 0.000 1.917 312 A HA -0.251 4.069 4.320 0.001 0.000 0.219 312 A C 1.975 179.357 177.584 -0.337 0.000 1.182 312 A CA 2.267 54.165 52.037 -0.233 0.000 0.633 312 A CB -1.058 17.854 19.000 -0.145 0.000 0.819 312 A HN 0.966 9.116 8.150 0.000 0.000 0.448 313 H N -1.448 117.412 119.070 -0.349 0.000 2.457 313 H HA 0.030 4.587 4.556 0.001 0.000 0.294 313 H C 1.828 176.744 175.328 -0.687 0.000 1.064 313 H CA 1.492 57.135 56.048 -0.676 0.000 1.330 313 H CB -0.499 28.862 29.762 -0.669 0.000 1.395 313 H HN 0.581 8.861 8.280 0.000 0.000 0.541 314 Q N 0.811 120.113 119.800 -0.831 0.000 2.079 314 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 314 Q C 2.000 177.790 176.000 -0.349 0.000 0.974 314 Q CA 1.353 56.851 55.803 -0.508 0.000 0.840 314 Q CB 0.055 28.498 28.738 -0.493 0.000 0.898 314 Q HN 0.552 8.822 8.270 0.000 0.000 0.430 315 K N 0.050 120.238 120.400 -0.354 0.000 2.097 315 K HA -0.099 4.222 4.320 0.001 0.000 0.205 315 K C 2.077 178.465 176.600 -0.354 0.000 1.050 315 K CA 1.111 57.217 56.287 -0.300 0.000 0.938 315 K CB -0.035 32.295 32.500 -0.283 0.000 0.718 315 K HN 0.030 8.280 8.250 0.000 0.000 0.442 316 V N 1.626 121.286 119.914 -0.424 0.000 2.295 316 V HA -0.271 3.849 4.120 0.001 0.000 0.246 316 V C 2.434 178.395 176.094 -0.221 0.000 1.049 316 V CA 2.049 64.102 62.300 -0.412 0.000 1.024 316 V CB -0.755 30.808 31.823 -0.433 0.000 0.648 316 V HN 0.351 8.541 8.190 0.000 0.000 0.447 317 A N 0.028 122.712 122.820 -0.226 0.000 1.892 317 A HA -0.253 4.068 4.320 0.001 0.000 0.218 317 A C 2.193 179.749 177.584 -0.046 0.000 1.188 317 A CA 2.345 54.353 52.037 -0.049 0.000 0.631 317 A CB -0.658 18.322 19.000 -0.033 0.000 0.822 317 A HN 0.512 8.662 8.150 0.000 0.000 0.447 318 I N -0.920 119.587 120.570 -0.105 0.000 2.127 318 I HA -0.347 3.823 4.170 0.001 0.000 0.241 318 I C 2.817 178.892 176.117 -0.071 0.000 1.075 318 I CA 1.931 63.181 61.300 -0.083 0.000 1.334 318 I CB -0.354 37.581 38.000 -0.107 0.000 1.040 318 I HN 0.376 8.586 8.210 0.000 0.000 0.405 319 M N -0.282 119.247 119.600 -0.118 0.000 2.108 319 M HA -0.217 4.263 4.480 0.001 0.000 0.261 319 M C 2.483 178.785 176.300 0.004 0.000 1.066 319 M CA 1.786 57.033 55.300 -0.088 0.000 1.107 319 M CB -0.480 31.999 32.600 -0.201 0.000 1.356 319 M HN 0.140 8.430 8.290 0.000 0.000 0.406 320 R N 0.120 120.637 120.500 0.029 0.000 2.083 320 R HA -0.121 4.219 4.340 0.001 0.000 0.237 320 R C 1.965 178.291 176.300 0.044 0.000 1.137 320 R CA 1.378 57.522 56.100 0.073 0.000 0.951 320 R CB -0.565 29.803 30.300 0.114 0.000 0.851 320 R HN 0.438 8.708 8.270 0.000 0.000 0.434 321 N N 0.694 119.412 118.700 0.031 0.000 2.120 321 N HA -0.117 4.624 4.740 0.001 0.000 0.188 321 N C 1.796 177.328 175.510 0.038 0.000 1.024 321 N CA 1.015 54.084 53.050 0.031 0.000 0.852 321 N CB -0.144 38.357 38.487 0.022 0.000 1.003 321 N HN 0.128 8.508 8.380 0.000 0.000 0.424 322 I N 1.914 122.502 120.570 0.029 0.000 2.208 322 I HA -0.208 3.963 4.170 0.001 0.000 0.245 322 I C 1.979 178.140 176.117 0.074 0.000 1.097 322 I CA 1.206 62.528 61.300 0.038 0.000 1.363 322 I CB -1.061 36.949 38.000 0.015 0.000 1.051 322 I HN 0.238 8.448 8.210 0.000 0.000 0.413 323 E N 0.767 121.019 120.200 0.087 0.000 2.077 323 E HA -0.211 4.140 4.350 0.001 0.000 0.193 323 E C 2.189 178.916 176.600 0.212 0.000 0.989 323 E CA 1.120 57.606 56.400 0.143 0.000 0.800 323 E CB -0.056 29.717 29.700 0.121 0.000 0.746 323 E HN 0.491 8.851 8.360 0.000 0.000 0.452 324 K N 0.361 120.825 120.400 0.107 0.000 2.026 324 K HA -0.108 4.213 4.320 0.001 0.000 0.208 324 K C 2.212 178.916 176.600 0.174 0.000 1.048 324 K CA 1.398 57.765 56.287 0.134 0.000 0.929 324 K CB -0.129 32.400 32.500 0.048 0.000 0.713 324 K HN 0.125 8.375 8.250 0.000 0.000 0.439 325 M N 0.353 120.020 119.600 0.112 0.000 2.117 325 M HA -0.163 4.317 4.480 0.001 0.000 0.262 325 M C 2.028 178.381 176.300 0.088 0.000 1.065 325 M CA 1.126 56.477 55.300 0.085 0.000 1.114 325 M CB -0.247 32.388 32.600 0.058 0.000 1.361 325 M HN 0.065 8.355 8.290 0.000 0.000 0.408 326 L N 0.406 121.690 121.223 0.102 0.000 2.046 326 L HA -0.071 4.269 4.340 0.001 0.000 0.208 326 L C 2.666 179.581 176.870 0.075 0.000 1.077 326 L CA 2.003 56.895 54.840 0.087 0.000 0.747 326 L CB -1.857 40.260 42.059 0.096 0.000 0.896 326 L HN 0.319 8.549 8.230 0.000 0.000 0.432 327 G N -1.157 107.718 108.800 0.125 0.000 2.469 327 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 327 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 327 G C 1.507 176.399 174.900 -0.014 0.000 1.150 327 G CA 0.554 45.634 45.100 -0.033 0.000 0.763 327 G HN 0.355 8.645 8.290 0.000 0.000 0.561 328 E N 0.719 120.955 120.200 0.060 0.000 2.046 328 E HA 0.016 4.367 4.350 0.001 0.000 0.190 328 E C 2.958 179.573 176.600 0.025 0.000 0.982 328 E CA 0.984 57.410 56.400 0.043 0.000 0.800 328 E CB -0.563 29.174 29.700 0.062 0.000 0.756 328 E HN 0.352 8.712 8.360 0.000 0.000 0.449 329 A N 1.062 123.901 122.820 0.030 0.000 1.930 329 A HA -0.080 4.241 4.320 0.001 0.000 0.217 329 A C 2.283 179.874 177.584 0.012 0.000 1.175 329 A CA 0.897 52.948 52.037 0.023 0.000 0.627 329 A CB -0.565 18.452 19.000 0.028 0.000 0.815 329 A HN 0.168 8.318 8.150 0.000 0.000 0.443 330 L N -1.289 119.938 121.223 0.007 0.000 2.478 330 L HA 0.122 4.462 4.340 0.001 0.000 0.223 330 L C 1.890 178.751 176.870 -0.016 0.000 1.140 330 L CA 0.579 55.417 54.840 -0.004 0.000 0.842 330 L CB -0.299 41.757 42.059 -0.006 0.000 0.953 330 L HN 0.588 8.818 8.230 0.000 0.000 0.452 331 G N 0.652 109.440 108.800 -0.020 0.000 2.189 331 G HA2 -0.345 3.615 3.960 0.001 0.000 0.267 331 G HA3 -0.345 3.615 3.960 0.001 0.000 0.267 331 G C 0.098 174.970 174.900 -0.047 0.000 0.975 331 G CA 0.519 45.604 45.100 -0.025 0.000 0.644 331 G HN 0.447 8.737 8.290 0.000 0.000 0.537 332 N N -0.687 117.972 118.700 -0.069 0.000 2.572 332 N HA 0.492 5.232 4.740 0.001 0.000 0.287 332 N C -1.673 173.749 175.510 -0.147 0.000 1.136 332 N CA -1.606 51.385 53.050 -0.098 0.000 0.900 332 N CB 1.780 40.222 38.487 -0.074 0.000 1.484 332 N HN -0.137 8.242 8.380 0.000 0.000 0.526 333 P HA -0.119 4.301 4.420 0.000 0.000 0.218 333 P C 0.823 178.026 177.300 -0.162 0.000 1.148 333 P CA 1.236 64.121 63.100 -0.358 0.000 0.822 333 P CB 0.392 31.838 31.700 -0.422 0.000 0.784 334 Q N -0.528 119.172 119.800 -0.166 0.000 2.364 334 Q HA -0.151 4.190 4.340 0.001 0.000 0.207 334 Q C 1.703 177.674 176.000 -0.048 0.000 0.970 334 Q CA 0.936 56.660 55.803 -0.131 0.000 0.888 334 Q CB -0.250 28.384 28.738 -0.174 0.000 0.951 334 Q HN 0.490 8.760 8.270 0.000 0.000 0.469 335 E N -0.329 119.845 120.200 -0.044 0.000 2.371 335 E HA -0.062 4.288 4.350 0.001 0.000 0.194 335 E C 1.927 178.539 176.600 0.019 0.000 1.012 335 E CA 0.183 56.576 56.400 -0.012 0.000 0.860 335 E CB 0.336 30.025 29.700 -0.019 0.000 0.811 335 E HN 0.126 8.486 8.360 0.000 0.000 0.502 336 V N 1.217 121.150 119.914 0.032 0.000 2.252 336 V HA -0.278 3.842 4.120 0.001 0.000 0.249 336 V C 2.411 178.559 176.094 0.091 0.000 1.056 336 V CA 2.245 64.591 62.300 0.077 0.000 1.022 336 V CB -1.128 30.776 31.823 0.135 0.000 0.641 336 V HN 0.396 8.586 8.190 0.000 0.000 0.445 337 G N 0.502 109.364 108.800 0.104 0.000 2.514 337 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 337 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 337 G C -0.136 174.811 174.900 0.078 0.000 1.198 337 G CA 1.307 46.470 45.100 0.105 0.000 0.780 337 G HN 0.525 8.815 8.290 0.000 0.000 0.565 338 P HA -0.107 4.313 4.420 0.000 0.000 0.216 338 P C 2.050 179.379 177.300 0.048 0.000 1.153 338 P CA 0.726 63.855 63.100 0.048 0.000 0.858 338 P CB -0.121 31.599 31.700 0.033 0.000 0.789 339 L N -1.467 119.785 121.223 0.049 0.000 2.027 339 L HA -0.127 4.214 4.340 0.001 0.000 0.206 339 L C 2.291 179.196 176.870 0.058 0.000 1.074 339 L CA 1.476 56.345 54.840 0.049 0.000 0.745 339 L CB -0.805 41.281 42.059 0.044 0.000 0.898 339 L HN -0.134 8.096 8.230 0.000 0.000 0.433 340 L N -0.210 121.053 121.223 0.066 0.000 2.012 340 L HA -0.258 4.083 4.340 0.001 0.000 0.210 340 L C 2.452 179.365 176.870 0.073 0.000 1.073 340 L CA 1.409 56.290 54.840 0.068 0.000 0.748 340 L CB -0.883 41.224 42.059 0.079 0.000 0.891 340 L HN 0.406 8.636 8.230 0.000 0.000 0.431 341 N N -0.440 118.304 118.700 0.073 0.000 2.043 341 N HA -0.175 4.565 4.740 0.001 0.000 0.193 341 N C 1.778 177.330 175.510 0.069 0.000 1.037 341 N CA 2.112 55.205 53.050 0.071 0.000 0.851 341 N CB -0.463 38.062 38.487 0.063 0.000 1.027 341 N HN 0.304 8.684 8.380 0.000 0.000 0.422 342 T N 1.714 116.305 114.554 0.061 0.000 2.737 342 T HA -0.139 4.211 4.350 0.001 0.000 0.269 342 T C 1.968 176.712 174.700 0.074 0.000 1.040 342 T CA 0.998 63.132 62.100 0.057 0.000 1.142 342 T CB -0.102 68.794 68.868 0.047 0.000 0.861 342 T HN 0.249 8.489 8.240 0.000 0.000 0.456 343 M N 0.251 119.904 119.600 0.089 0.000 2.175 343 M HA 0.013 4.494 4.480 0.001 0.000 0.264 343 M C 2.145 178.569 176.300 0.206 0.000 1.063 343 M CA 1.513 56.888 55.300 0.126 0.000 1.119 343 M CB -0.106 32.554 32.600 0.100 0.000 1.377 343 M HN 0.430 8.720 8.290 0.000 0.000 0.415 344 I N -2.630 118.046 120.570 0.176 0.000 3.081 344 I HA 0.102 4.272 4.170 0.001 0.000 0.274 344 I C 0.303 176.513 176.117 0.155 0.000 1.178 344 I CA 0.103 61.547 61.300 0.239 0.000 1.460 344 I CB -0.137 37.967 38.000 0.173 0.000 1.137 344 I HN -0.183 8.027 8.210 0.000 0.000 0.443 345 K N 2.757 123.216 120.400 0.099 0.000 2.453 345 K HA 0.197 4.518 4.320 0.001 0.000 0.280 345 K C 1.070 177.694 176.600 0.040 0.000 1.045 345 K CA 0.891 57.217 56.287 0.064 0.000 1.059 345 K CB 0.022 32.552 32.500 0.051 0.000 0.901 345 K HN 0.604 8.854 8.250 0.000 0.000 0.475 346 G N 3.061 111.878 108.800 0.027 0.000 2.166 346 G HA2 -0.329 3.631 3.960 0.001 0.000 0.260 346 G HA3 -0.329 3.631 3.960 0.001 0.000 0.260 346 G C 0.782 175.661 174.900 -0.035 0.000 0.986 346 G CA 0.607 45.707 45.100 -0.000 0.000 0.683 346 G HN 0.718 9.008 8.290 0.000 0.000 0.527 347 R N -2.397 118.077 120.500 -0.043 0.000 2.320 347 R HA 0.276 4.616 4.340 0.001 0.000 0.193 347 R C 1.388 177.480 176.300 -0.347 0.000 0.885 347 R CA 0.850 56.836 56.100 -0.191 0.000 1.085 347 R CB 0.286 30.487 30.300 -0.166 0.000 1.253 347 R HN 0.422 8.692 8.270 0.000 0.000 0.636 348 Y N 0.730 121.038 120.300 0.014 0.000 2.448 348 Y HA 0.163 4.714 4.550 0.001 0.000 0.257 348 Y C 0.437 176.346 175.900 0.015 0.000 1.089 348 Y CA -0.906 57.202 58.100 0.013 0.000 1.245 348 Y CB 0.420 38.888 38.460 0.014 0.000 1.282 348 Y HN 0.103 8.383 8.280 0.000 0.000 0.529 349 N N 0.000 118.785 118.700 0.141 0.000 1.763 349 N HA 0.000 4.740 4.740 0.001 0.000 0.220 349 N CA 0.000 53.109 53.050 0.098 0.000 0.885 349 N CB 0.000 38.541 38.487 0.089 0.000 1.341 349 N HN 0.000 8.380 8.380 0.000 0.000 0.667