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 3l3m_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKLPKPVQDL IKMIFDVESM KKAMVEYEID LQKMPLGKLS KRQIQAAYSI DATA SEQUENCE LSEVQQAVSQ GSSDSQILDL SNRFYTLIPH DFGMKKPPLL NNADSVQAKA DATA SEQUENCE EMLDNLLDIE VAYSLLRGGS DDSSKDPIDV NYEKLKTDIK VVDRDSEEAE DATA SEQUENCE IIRKYVKNTH ATTHNAYDLE VIDIFKIERE GECQRYKPFK QLHNRRLLWH DATA SEQUENCE GSRTTNFAGI LSQGLRIAPP EAPVTGYMFG KGIYFADMVS KSANYCHTSQ DATA SEQUENCE GDPIGLILLG EVALGNMYEL KHASHISKLP KGKHSVKGLG KTTPDPSANI DATA SEQUENCE SLDGVDVPLG TGISSGVNDT SLLYNEYIVY DIAQVNLKYL LKLKFNFK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.470 4.470 0.000 0.000 0.327 2 S C 0.000 174.571 174.600 -0.049 0.000 1.055 2 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 2 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 3 K N 1.331 121.690 120.400 -0.068 0.000 2.426 3 K HA 0.440 4.760 4.320 -0.001 0.000 0.193 3 K C 0.406 176.958 176.600 -0.080 0.000 1.028 3 K CA 0.159 56.408 56.287 -0.063 0.000 1.047 3 K CB -0.734 31.729 32.500 -0.062 0.000 0.821 3 K HN 0.642 8.892 8.250 0.000 0.000 0.513 4 L N 2.146 123.298 121.223 -0.117 0.000 2.461 4 L HA 0.145 4.484 4.340 -0.001 0.000 0.272 4 L C -1.921 174.921 176.870 -0.047 0.000 1.197 4 L CA -1.902 52.861 54.840 -0.129 0.000 0.836 4 L CB -0.103 41.833 42.059 -0.206 0.000 1.105 4 L HN -0.095 8.135 8.230 0.000 0.000 0.477 5 P HA 0.034 4.454 4.420 0.000 0.000 0.270 5 P C 0.180 177.509 177.300 0.048 0.000 1.223 5 P CA -0.351 62.767 63.100 0.031 0.000 0.785 5 P CB 0.702 32.443 31.700 0.068 0.000 0.923 6 K N 3.940 124.370 120.400 0.049 0.000 1.987 6 K HA -0.160 4.159 4.320 -0.001 0.000 0.216 6 K C -0.764 175.893 176.600 0.096 0.000 1.051 6 K CA 2.344 58.665 56.287 0.056 0.000 0.942 6 K CB -1.602 30.924 32.500 0.044 0.000 0.722 6 K HN 0.406 8.656 8.250 0.000 0.000 0.444 7 P HA -0.200 4.220 4.420 0.000 0.000 0.216 7 P C 1.446 178.941 177.300 0.324 0.000 1.154 7 P CA 1.426 64.674 63.100 0.245 0.000 0.865 7 P CB -0.104 31.739 31.700 0.239 0.000 0.789 8 V N 0.130 120.211 119.914 0.279 0.000 2.358 8 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 8 V C 2.841 178.966 176.094 0.052 0.000 1.047 8 V CA 1.783 64.149 62.300 0.110 0.000 1.035 8 V CB -1.432 30.459 31.823 0.114 0.000 0.658 8 V HN 0.122 8.312 8.190 0.000 0.000 0.452 9 Q N -0.334 119.503 119.800 0.062 0.000 2.124 9 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 9 Q C 2.010 178.045 176.000 0.058 0.000 0.977 9 Q CA 1.742 57.574 55.803 0.049 0.000 0.850 9 Q CB -0.186 28.571 28.738 0.032 0.000 0.901 9 Q HN 0.632 8.902 8.270 0.000 0.000 0.429 10 D N 0.302 120.743 120.400 0.068 0.000 2.183 10 D HA -0.113 4.526 4.640 -0.001 0.000 0.203 10 D C 1.805 178.132 176.300 0.045 0.000 0.969 10 D CA 0.519 54.558 54.000 0.064 0.000 0.842 10 D CB -0.021 40.826 40.800 0.080 0.000 0.957 10 D HN 0.128 8.498 8.370 0.000 0.000 0.484 11 L N 0.792 122.023 121.223 0.014 0.000 2.056 11 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 11 L C 1.928 178.773 176.870 -0.042 0.000 1.078 11 L CA 1.234 56.023 54.840 -0.086 0.000 0.749 11 L CB -0.363 41.483 42.059 -0.355 0.000 0.901 11 L HN -0.108 8.122 8.230 0.000 0.000 0.433 12 I N 0.021 120.609 120.570 0.031 0.000 2.163 12 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 12 I C 2.477 178.708 176.117 0.190 0.000 1.085 12 I CA 1.468 62.858 61.300 0.150 0.000 1.347 12 I CB -1.231 36.888 38.000 0.199 0.000 1.044 12 I HN 0.366 8.576 8.210 0.000 0.000 0.408 13 K N -0.064 120.410 120.400 0.123 0.000 2.057 13 K HA -0.185 4.135 4.320 -0.001 0.000 0.207 13 K C 2.146 178.803 176.600 0.095 0.000 1.049 13 K CA 1.306 57.663 56.287 0.116 0.000 0.931 13 K CB -0.200 32.344 32.500 0.074 0.000 0.714 13 K HN 0.254 8.504 8.250 0.000 0.000 0.440 14 M N 1.483 121.112 119.600 0.048 0.000 2.065 14 M HA -0.179 4.300 4.480 -0.001 0.000 0.259 14 M C 2.166 178.462 176.300 -0.007 0.000 1.069 14 M CA 1.742 57.050 55.300 0.013 0.000 1.110 14 M CB -0.162 32.427 32.600 -0.018 0.000 1.328 14 M HN 0.234 8.524 8.290 0.000 0.000 0.405 15 I N -2.878 117.660 120.570 -0.054 0.000 2.761 15 I HA -0.106 4.064 4.170 -0.001 0.000 0.261 15 I C 0.548 176.525 176.117 -0.232 0.000 1.198 15 I CA 1.049 62.257 61.300 -0.154 0.000 1.482 15 I CB -0.443 37.417 38.000 -0.233 0.000 1.100 15 I HN 0.120 8.330 8.210 0.000 0.000 0.445 16 F N 1.877 121.846 119.950 0.032 0.000 2.639 16 F HA 0.325 4.851 4.527 -0.001 0.000 0.300 16 F C 0.616 176.434 175.800 0.031 0.000 1.109 16 F CA -0.828 57.189 58.000 0.028 0.000 1.335 16 F CB -0.380 38.627 39.000 0.011 0.000 1.014 16 F HN 0.030 8.330 8.300 0.000 0.000 0.537 17 D N 0.762 121.254 120.400 0.154 0.000 2.382 17 D HA 0.019 4.659 4.640 -0.001 0.000 0.259 17 D C 1.330 177.701 176.300 0.118 0.000 1.224 17 D CA 0.372 54.439 54.000 0.113 0.000 0.894 17 D CB 1.520 42.360 40.800 0.068 0.000 1.127 17 D HN 0.024 8.394 8.370 0.000 0.000 0.487 18 V N 4.518 124.506 119.914 0.123 0.000 2.453 18 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 18 V C 2.382 178.534 176.094 0.098 0.000 1.048 18 V CA 1.024 63.410 62.300 0.144 0.000 1.049 18 V CB -0.295 31.622 31.823 0.156 0.000 0.672 18 V HN 0.582 8.772 8.190 0.000 0.000 0.457 19 E N 0.322 120.562 120.200 0.067 0.000 2.153 19 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 19 E C 2.452 179.068 176.600 0.026 0.000 0.988 19 E CA 1.290 57.713 56.400 0.039 0.000 0.811 19 E CB -0.055 29.661 29.700 0.028 0.000 0.746 19 E HN 0.557 8.917 8.360 0.000 0.000 0.466 20 S N 0.329 116.049 115.700 0.034 0.000 2.402 20 S HA -0.093 4.377 4.470 -0.001 0.000 0.229 20 S C 1.974 176.585 174.600 0.019 0.000 1.021 20 S CA 0.954 59.165 58.200 0.020 0.000 0.974 20 S CB -0.083 63.133 63.200 0.026 0.000 0.800 20 S HN 0.282 8.592 8.310 0.000 0.000 0.484 21 M N 1.293 120.919 119.600 0.044 0.000 2.077 21 M HA -0.096 4.383 4.480 -0.001 0.000 0.261 21 M C 2.030 178.336 176.300 0.011 0.000 1.070 21 M CA 1.409 56.735 55.300 0.043 0.000 1.125 21 M CB -0.642 32.008 32.600 0.083 0.000 1.339 21 M HN 0.130 8.420 8.290 0.000 0.000 0.409 22 K N 0.650 121.052 120.400 0.004 0.000 2.097 22 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 22 K C 2.068 178.648 176.600 -0.034 0.000 1.049 22 K CA 1.204 57.478 56.287 -0.021 0.000 0.933 22 K CB -0.312 32.178 32.500 -0.016 0.000 0.717 22 K HN 0.298 8.548 8.250 0.000 0.000 0.442 23 K N 1.173 121.553 120.400 -0.033 0.000 2.057 23 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 23 K C 2.189 178.730 176.600 -0.098 0.000 1.049 23 K CA 1.152 57.405 56.287 -0.057 0.000 0.931 23 K CB -0.094 32.378 32.500 -0.046 0.000 0.714 23 K HN 0.140 8.390 8.250 0.000 0.000 0.440 24 A N 1.352 124.118 122.820 -0.090 0.000 1.902 24 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 24 A C 2.123 179.602 177.584 -0.176 0.000 1.181 24 A CA 1.672 53.612 52.037 -0.162 0.000 0.623 24 A CB -0.432 18.538 19.000 -0.050 0.000 0.818 24 A HN 0.295 8.445 8.150 0.000 0.000 0.443 25 M N -0.439 119.149 119.600 -0.020 0.000 2.066 25 M HA -0.129 4.350 4.480 -0.001 0.000 0.259 25 M C 2.165 178.449 176.300 -0.027 0.000 1.074 25 M CA 1.720 57.050 55.300 0.051 0.000 1.114 25 M CB -1.228 31.367 32.600 -0.008 0.000 1.306 25 M HN 0.215 8.505 8.290 0.000 0.000 0.411 26 V N 0.682 120.552 119.914 -0.073 0.000 2.370 26 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 26 V C 2.228 178.263 176.094 -0.097 0.000 1.068 26 V CA 2.110 64.359 62.300 -0.086 0.000 1.061 26 V CB -1.118 30.661 31.823 -0.074 0.000 0.656 26 V HN 0.513 8.703 8.190 0.000 0.000 0.455 27 E N -0.913 119.194 120.200 -0.155 0.000 2.160 27 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 27 E C 1.892 178.391 176.600 -0.169 0.000 0.991 27 E CA 1.482 57.758 56.400 -0.208 0.000 0.810 27 E CB -0.100 29.387 29.700 -0.356 0.000 0.742 27 E HN 0.766 9.126 8.360 0.000 0.000 0.466 28 Y N -0.197 120.071 120.300 -0.053 0.000 2.490 28 Y HA 0.038 4.588 4.550 -0.001 0.000 0.281 28 Y C 0.641 176.474 175.900 -0.112 0.000 1.174 28 Y CA 0.623 58.696 58.100 -0.046 0.000 1.295 28 Y CB 0.400 38.813 38.460 -0.078 0.000 1.062 28 Y HN -0.030 8.250 8.280 0.000 0.000 0.522 29 E N -1.110 119.076 120.200 -0.023 0.000 3.547 29 E HA -0.215 4.135 4.350 -0.001 0.000 0.309 29 E C -0.523 175.857 176.600 -0.367 0.000 0.855 29 E CA 0.296 56.615 56.400 -0.135 0.000 1.122 29 E CB -1.956 27.753 29.700 0.016 0.000 1.569 29 E HN 0.389 8.749 8.360 0.000 0.000 0.429 30 I N 1.247 121.602 120.570 -0.359 0.000 2.556 30 I HA 0.036 4.205 4.170 -0.001 0.000 0.284 30 I C 0.748 176.734 176.117 -0.218 0.000 1.114 30 I CA 0.102 61.175 61.300 -0.379 0.000 1.418 30 I CB 0.464 38.306 38.000 -0.263 0.000 1.394 30 I HN 0.000 8.210 8.210 0.000 0.000 0.552 31 D N 6.948 127.236 120.400 -0.186 0.000 2.352 31 D HA 0.103 4.742 4.640 -0.001 0.000 0.245 31 D C 0.945 177.186 176.300 -0.098 0.000 1.224 31 D CA 0.094 54.018 54.000 -0.126 0.000 0.879 31 D CB 0.898 41.635 40.800 -0.105 0.000 1.057 31 D HN 0.447 8.817 8.370 0.000 0.000 0.491 32 L N 2.967 124.137 121.223 -0.088 0.000 2.362 32 L HA -0.161 4.179 4.340 -0.001 0.000 0.219 32 L C 2.323 179.155 176.870 -0.064 0.000 1.134 32 L CA 0.678 55.472 54.840 -0.076 0.000 0.807 32 L CB -0.092 41.927 42.059 -0.067 0.000 0.927 32 L HN 0.422 8.652 8.230 0.000 0.000 0.447 33 Q N 0.056 119.822 119.800 -0.056 0.000 2.123 33 Q HA -0.170 4.169 4.340 -0.001 0.000 0.199 33 Q C 1.991 177.965 176.000 -0.043 0.000 0.966 33 Q CA 1.169 56.946 55.803 -0.044 0.000 0.845 33 Q CB 0.017 28.732 28.738 -0.038 0.000 0.907 33 Q HN 0.493 8.763 8.270 0.000 0.000 0.439 34 K N -0.128 120.244 120.400 -0.048 0.000 2.098 34 K HA 0.030 4.349 4.320 -0.001 0.000 0.203 34 K C 0.839 177.408 176.600 -0.050 0.000 1.051 34 K CA 0.522 56.783 56.287 -0.042 0.000 0.957 34 K CB 0.264 32.741 32.500 -0.037 0.000 0.738 34 K HN -0.017 8.233 8.250 0.000 0.000 0.447 35 M N 2.105 121.666 119.600 -0.064 0.000 2.386 35 M HA 0.254 4.734 4.480 -0.001 0.000 0.245 35 M C -2.699 173.546 176.300 -0.092 0.000 0.982 35 M CA -2.958 52.296 55.300 -0.077 0.000 0.860 35 M CB 1.048 33.599 32.600 -0.082 0.000 1.371 35 M HN -0.216 8.074 8.290 0.000 0.000 0.425 36 P HA 0.080 4.500 4.420 0.000 0.000 0.274 36 P C 0.874 178.069 177.300 -0.175 0.000 1.256 36 P CA -0.309 62.724 63.100 -0.112 0.000 0.795 36 P CB 1.063 32.710 31.700 -0.088 0.000 1.038 37 L N 0.605 121.677 121.223 -0.252 0.000 1.990 37 L HA -0.172 4.167 4.340 -0.001 0.000 0.213 37 L C 2.635 179.152 176.870 -0.589 0.000 1.072 37 L CA 2.399 56.956 54.840 -0.472 0.000 0.755 37 L CB -1.371 40.275 42.059 -0.688 0.000 0.889 37 L HN 0.563 8.793 8.230 0.000 0.000 0.432 38 G N -0.979 107.538 108.800 -0.471 0.000 2.586 38 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.215 38 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.215 38 G C 1.579 176.417 174.900 -0.102 0.000 1.128 38 G CA 0.652 45.625 45.100 -0.211 0.000 0.774 38 G HN 0.267 8.557 8.290 0.000 0.000 0.543 39 K N -0.429 119.895 120.400 -0.126 0.000 2.361 39 K HA 0.286 4.605 4.320 -0.001 0.000 0.194 39 K C 0.834 177.387 176.600 -0.079 0.000 1.032 39 K CA -0.353 55.886 56.287 -0.079 0.000 1.048 39 K CB -0.078 32.379 32.500 -0.072 0.000 0.842 39 K HN 0.171 8.421 8.250 0.000 0.000 0.526 40 L N 1.728 122.886 121.223 -0.108 0.000 2.499 40 L HA 0.006 4.345 4.340 -0.001 0.000 0.273 40 L C 0.112 176.952 176.870 -0.049 0.000 1.195 40 L CA -0.008 54.780 54.840 -0.087 0.000 0.882 40 L CB 0.830 42.829 42.059 -0.100 0.000 1.133 40 L HN 0.127 8.357 8.230 0.000 0.000 0.483 41 S N 2.538 118.210 115.700 -0.047 0.000 2.536 41 S HA 0.320 4.790 4.470 -0.001 0.000 0.287 41 S C 0.502 175.086 174.600 -0.026 0.000 1.101 41 S CA -0.871 57.313 58.200 -0.027 0.000 0.950 41 S CB 2.035 65.218 63.200 -0.027 0.000 1.056 41 S HN 0.663 8.973 8.310 0.000 0.000 0.481 42 K N 1.672 122.069 120.400 -0.005 0.000 2.025 42 K HA 0.016 4.335 4.320 -0.001 0.000 0.207 42 K C 2.001 178.604 176.600 0.006 0.000 1.049 42 K CA 1.166 57.457 56.287 0.006 0.000 0.933 42 K CB -0.131 32.382 32.500 0.023 0.000 0.714 42 K HN 0.432 8.682 8.250 0.000 0.000 0.438 43 R N 0.979 121.481 120.500 0.004 0.000 2.091 43 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 43 R C 2.208 178.502 176.300 -0.010 0.000 1.136 43 R CA 1.578 57.681 56.100 0.005 0.000 0.959 43 R CB -0.413 29.889 30.300 0.003 0.000 0.856 43 R HN 0.392 8.662 8.270 0.000 0.000 0.437 44 Q N 0.047 119.828 119.800 -0.033 0.000 2.167 44 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 44 Q C 1.770 177.713 176.000 -0.094 0.000 0.970 44 Q CA 1.495 57.261 55.803 -0.062 0.000 0.855 44 Q CB -0.079 28.614 28.738 -0.074 0.000 0.911 44 Q HN 0.392 8.662 8.270 0.000 0.000 0.438 45 I N 0.842 121.355 120.570 -0.096 0.000 2.353 45 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 45 I C 2.569 178.613 176.117 -0.122 0.000 1.119 45 I CA 0.994 62.190 61.300 -0.173 0.000 1.417 45 I CB -0.158 37.735 38.000 -0.180 0.000 1.078 45 I HN 0.240 8.450 8.210 0.000 0.000 0.421 46 Q N 0.605 120.425 119.800 0.033 0.000 2.061 46 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 46 Q C 2.499 178.574 176.000 0.125 0.000 0.984 46 Q CA 1.900 57.800 55.803 0.162 0.000 0.846 46 Q CB -0.362 28.442 28.738 0.111 0.000 0.902 46 Q HN 0.592 8.862 8.270 0.000 0.000 0.421 47 A N 1.036 123.883 122.820 0.045 0.000 1.940 47 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 47 A C 2.277 179.880 177.584 0.033 0.000 1.176 47 A CA 1.672 53.728 52.037 0.031 0.000 0.631 47 A CB -0.750 18.248 19.000 -0.003 0.000 0.814 47 A HN 0.419 8.569 8.150 0.000 0.000 0.446 48 A N -1.634 121.171 122.820 -0.025 0.000 1.930 48 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 48 A C 2.071 179.730 177.584 0.126 0.000 1.175 48 A CA 1.482 53.501 52.037 -0.029 0.000 0.627 48 A CB -0.728 18.142 19.000 -0.217 0.000 0.815 48 A HN 0.527 8.677 8.150 0.000 0.000 0.443 49 Y N 0.470 120.814 120.300 0.073 0.000 2.181 49 Y HA -0.155 4.395 4.550 -0.001 0.000 0.288 49 Y C 3.094 179.027 175.900 0.054 0.000 1.146 49 Y CA 1.103 59.243 58.100 0.067 0.000 1.164 49 Y CB -0.763 37.721 38.460 0.040 0.000 0.982 49 Y HN 0.293 8.573 8.280 0.000 0.000 0.515 50 S N -0.040 115.790 115.700 0.216 0.000 2.370 50 S HA -0.189 4.281 4.470 -0.001 0.000 0.226 50 S C 2.126 176.786 174.600 0.101 0.000 1.033 50 S CA 1.534 59.808 58.200 0.123 0.000 1.011 50 S CB -0.553 62.699 63.200 0.087 0.000 0.852 50 S HN 0.363 8.673 8.310 0.000 0.000 0.457 51 I N 1.288 121.927 120.570 0.116 0.000 2.208 51 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 51 I C 2.119 178.280 176.117 0.073 0.000 1.097 51 I CA 1.047 62.409 61.300 0.104 0.000 1.363 51 I CB -0.384 37.710 38.000 0.157 0.000 1.051 51 I HN 0.250 8.460 8.210 0.000 0.000 0.413 52 L N -0.052 121.228 121.223 0.095 0.000 2.042 52 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 52 L C 2.708 179.588 176.870 0.016 0.000 1.076 52 L CA 1.492 56.334 54.840 0.004 0.000 0.749 52 L CB -0.549 41.541 42.059 0.052 0.000 0.893 52 L HN 0.248 8.478 8.230 0.000 0.000 0.432 53 S N -0.424 115.309 115.700 0.056 0.000 2.368 53 S HA -0.201 4.269 4.470 -0.001 0.000 0.225 53 S C 1.759 176.373 174.600 0.022 0.000 1.030 53 S CA 1.299 59.522 58.200 0.038 0.000 0.999 53 S CB -0.195 63.029 63.200 0.041 0.000 0.844 53 S HN 0.454 8.764 8.310 0.000 0.000 0.459 54 E N 0.573 120.787 120.200 0.024 0.000 2.153 54 E HA -0.097 4.253 4.350 -0.001 0.000 0.194 54 E C 2.029 178.630 176.600 0.002 0.000 0.988 54 E CA 1.020 57.429 56.400 0.016 0.000 0.811 54 E CB -0.183 29.530 29.700 0.021 0.000 0.746 54 E HN 0.263 8.623 8.360 0.000 0.000 0.466 55 V N 0.996 120.903 119.914 -0.012 0.000 2.358 55 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 55 V C 2.365 178.444 176.094 -0.025 0.000 1.047 55 V CA 1.704 63.985 62.300 -0.032 0.000 1.035 55 V CB -0.457 31.320 31.823 -0.077 0.000 0.658 55 V HN 0.191 8.381 8.190 0.000 0.000 0.452 56 Q N 0.454 120.243 119.800 -0.017 0.000 2.061 56 Q HA -0.259 4.080 4.340 -0.001 0.000 0.204 56 Q C 2.220 178.221 176.000 0.002 0.000 0.984 56 Q CA 2.077 57.877 55.803 -0.005 0.000 0.846 56 Q CB -0.459 28.285 28.738 0.011 0.000 0.902 56 Q HN 0.714 8.984 8.270 0.000 0.000 0.421 57 Q N -0.899 118.904 119.800 0.006 0.000 2.084 57 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 57 Q C 1.998 177.999 176.000 0.003 0.000 0.978 57 Q CA 1.629 57.437 55.803 0.008 0.000 0.844 57 Q CB -0.335 28.410 28.738 0.011 0.000 0.898 57 Q HN 0.491 8.761 8.270 0.000 0.000 0.426 58 A N 0.009 122.829 122.820 -0.001 0.000 1.972 58 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 58 A C 2.269 179.849 177.584 -0.006 0.000 1.169 58 A CA 1.245 53.280 52.037 -0.003 0.000 0.635 58 A CB -0.531 18.465 19.000 -0.006 0.000 0.810 58 A HN 0.230 8.380 8.150 0.000 0.000 0.446 59 V N 0.277 120.185 119.914 -0.010 0.000 2.379 59 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 59 V C 2.755 178.844 176.094 -0.007 0.000 1.044 59 V CA 2.229 64.522 62.300 -0.011 0.000 1.036 59 V CB -0.541 31.272 31.823 -0.017 0.000 0.664 59 V HN 0.643 8.833 8.190 0.000 0.000 0.453 60 S N -0.303 115.395 115.700 -0.003 0.000 2.406 60 S HA -0.241 4.228 4.470 -0.001 0.000 0.228 60 S C 1.876 176.475 174.600 -0.001 0.000 1.020 60 S CA 1.362 59.561 58.200 -0.001 0.000 0.965 60 S CB -0.271 62.932 63.200 0.005 0.000 0.798 60 S HN 0.572 8.882 8.310 0.000 0.000 0.488 61 Q N 1.387 121.187 119.800 -0.001 0.000 2.163 61 Q HA 0.230 4.569 4.340 -0.001 0.000 0.198 61 Q C 1.104 177.102 176.000 -0.002 0.000 0.954 61 Q CA 1.101 56.904 55.803 -0.001 0.000 0.851 61 Q CB -0.273 28.465 28.738 0.001 0.000 0.928 61 Q HN 0.604 8.874 8.270 0.000 0.000 0.459 62 G N 0.324 109.122 108.800 -0.004 0.000 2.270 62 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.224 62 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.224 62 G C -0.387 174.510 174.900 -0.004 0.000 1.079 62 G CA 0.116 45.213 45.100 -0.005 0.000 0.807 62 G HN 0.261 8.551 8.290 0.000 0.000 0.492 63 S N 0.159 115.857 115.700 -0.004 0.000 2.593 63 S HA 0.210 4.680 4.470 -0.001 0.000 0.300 63 S C 1.425 176.024 174.600 -0.003 0.000 1.267 63 S CA 0.630 58.828 58.200 -0.002 0.000 1.065 63 S CB 0.944 64.143 63.200 -0.002 0.000 0.807 63 S HN 0.707 9.017 8.310 0.000 0.000 0.499 64 S N 3.657 119.356 115.700 -0.001 0.000 3.397 64 S HA 0.005 4.475 4.470 -0.001 0.000 0.242 64 S C 0.410 175.009 174.600 -0.002 0.000 1.173 64 S CA -0.095 58.104 58.200 -0.002 0.000 1.225 64 S CB -1.122 62.078 63.200 -0.001 0.000 1.188 64 S HN 0.761 9.071 8.310 0.000 0.000 0.459 65 D N 1.112 121.511 120.400 -0.003 0.000 4.105 65 D HA -0.300 4.340 4.640 -0.001 0.000 0.289 65 D C 0.988 177.289 176.300 0.000 0.000 2.261 65 D CA 1.326 55.324 54.000 -0.002 0.000 1.093 65 D CB -1.145 39.653 40.800 -0.004 0.000 1.035 65 D HN 0.511 8.881 8.370 0.000 0.000 1.218 66 S N -0.917 114.784 115.700 0.002 0.000 1.885 66 S HA -0.474 3.995 4.470 -0.001 0.000 0.220 66 S C 1.575 176.179 174.600 0.008 0.000 0.988 66 S CA 3.363 61.566 58.200 0.005 0.000 1.627 66 S CB -1.294 61.909 63.200 0.004 0.000 2.182 66 S HN 0.797 9.107 8.310 0.000 0.000 0.556 67 Q N 1.253 121.057 119.800 0.006 0.000 2.123 67 Q HA 0.279 4.619 4.340 -0.001 0.000 0.199 67 Q C 2.028 178.032 176.000 0.007 0.000 0.966 67 Q CA 2.190 57.997 55.803 0.007 0.000 0.845 67 Q CB -0.634 28.108 28.738 0.005 0.000 0.907 67 Q HN 0.874 9.144 8.270 0.000 0.000 0.439 68 I N -0.121 120.451 120.570 0.003 0.000 2.493 68 I HA -0.179 3.990 4.170 -0.001 0.000 0.254 68 I C 1.862 177.983 176.117 0.008 0.000 1.160 68 I CA 0.432 61.731 61.300 -0.001 0.000 1.445 68 I CB -0.024 37.971 38.000 -0.007 0.000 1.086 68 I HN 0.281 8.491 8.210 0.000 0.000 0.433 69 L N 0.315 121.545 121.223 0.013 0.000 2.131 69 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 69 L C 1.956 178.848 176.870 0.037 0.000 1.087 69 L CA 1.836 56.690 54.840 0.024 0.000 0.767 69 L CB -0.431 41.637 42.059 0.016 0.000 0.917 69 L HN 0.158 8.388 8.230 0.000 0.000 0.441 70 D N -1.080 119.338 120.400 0.030 0.000 2.144 70 D HA -0.163 4.476 4.640 -0.001 0.000 0.200 70 D C 2.096 178.421 176.300 0.042 0.000 0.978 70 D CA 0.881 54.902 54.000 0.035 0.000 0.833 70 D CB 0.082 40.898 40.800 0.026 0.000 0.961 70 D HN 0.152 8.522 8.370 0.000 0.000 0.470 71 L N 0.501 121.743 121.223 0.032 0.000 1.989 71 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 71 L C 2.538 179.434 176.870 0.043 0.000 1.071 71 L CA 1.408 56.265 54.840 0.030 0.000 0.749 71 L CB -1.353 40.710 42.059 0.006 0.000 0.890 71 L HN 0.029 8.259 8.230 0.000 0.000 0.431 72 S N 0.033 115.757 115.700 0.041 0.000 2.359 72 S HA -0.176 4.293 4.470 -0.001 0.000 0.224 72 S C 1.705 176.421 174.600 0.193 0.000 1.035 72 S CA 1.339 59.584 58.200 0.076 0.000 1.018 72 S CB -0.356 62.909 63.200 0.107 0.000 0.876 72 S HN 0.487 8.797 8.310 0.000 0.000 0.448 73 N N 1.217 120.017 118.700 0.166 0.000 2.120 73 N HA -0.039 4.700 4.740 -0.001 0.000 0.188 73 N C 1.747 177.344 175.510 0.146 0.000 1.024 73 N CA 0.937 54.093 53.050 0.177 0.000 0.852 73 N CB -0.301 38.248 38.487 0.104 0.000 1.003 73 N HN 0.375 8.755 8.380 0.000 0.000 0.424 74 R N -0.404 120.155 120.500 0.099 0.000 2.096 74 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 74 R C 2.011 178.341 176.300 0.050 0.000 1.127 74 R CA 0.954 57.094 56.100 0.066 0.000 0.968 74 R CB -0.389 29.943 30.300 0.054 0.000 0.861 74 R HN 0.221 8.491 8.270 0.000 0.000 0.440 75 F N -0.243 119.639 119.950 -0.113 0.000 2.146 75 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 75 F C 1.378 177.030 175.800 -0.245 0.000 1.096 75 F CA 1.324 59.186 58.000 -0.230 0.000 1.275 75 F CB -0.041 38.728 39.000 -0.385 0.000 1.008 75 F HN -0.047 8.253 8.300 0.000 0.000 0.480 76 Y N -0.098 120.258 120.300 0.093 0.000 2.516 76 Y HA -0.060 4.489 4.550 -0.001 0.000 0.291 76 Y C 2.522 178.407 175.900 -0.024 0.000 1.131 76 Y CA 1.299 59.408 58.100 0.015 0.000 1.281 76 Y CB -1.144 37.394 38.460 0.129 0.000 1.013 76 Y HN -0.006 8.274 8.280 0.000 0.000 0.554 77 T N -0.127 114.480 114.554 0.089 0.000 2.896 77 T HA -0.084 4.265 4.350 -0.001 0.000 0.263 77 T C 1.881 176.561 174.700 -0.033 0.000 1.050 77 T CA 0.672 62.797 62.100 0.041 0.000 1.140 77 T CB -0.281 68.609 68.868 0.038 0.000 0.877 77 T HN 0.066 8.306 8.240 0.000 0.000 0.457 78 L N 1.041 122.193 121.223 -0.117 0.000 2.007 78 L HA 0.190 4.529 4.340 -0.001 0.000 0.205 78 L C 0.663 177.409 176.870 -0.208 0.000 1.073 78 L CA 1.560 56.294 54.840 -0.176 0.000 0.744 78 L CB -0.378 41.532 42.059 -0.248 0.000 0.898 78 L HN 0.195 8.425 8.230 0.000 0.000 0.435 79 I N 2.680 123.049 120.570 -0.335 0.000 2.361 79 I HA 0.204 4.374 4.170 -0.001 0.000 0.282 79 I C -2.199 173.967 176.117 0.083 0.000 1.075 79 I CA -2.008 59.166 61.300 -0.210 0.000 1.205 79 I CB 0.331 38.101 38.000 -0.384 0.000 1.406 79 I HN 0.079 8.289 8.210 0.000 0.000 0.481 80 P HA 0.058 4.478 4.420 0.000 0.000 0.264 80 P C -0.297 177.086 177.300 0.139 0.000 1.236 80 P CA 0.731 63.899 63.100 0.113 0.000 0.811 80 P CB -0.010 31.699 31.700 0.016 0.000 0.840 81 H N 1.601 120.617 119.070 -0.091 0.000 2.525 81 H HA 0.319 4.874 4.556 -0.001 0.000 0.340 81 H C -0.440 174.509 175.328 -0.630 0.000 1.168 81 H CA -0.604 55.206 56.048 -0.397 0.000 1.247 81 H CB 1.746 31.148 29.762 -0.600 0.000 1.568 81 H HN 0.308 8.588 8.280 0.000 0.000 0.536 82 D N 1.541 121.593 120.400 -0.581 0.000 2.440 82 D HA 0.136 4.775 4.640 -0.001 0.000 0.239 82 D C -0.526 175.475 176.300 -0.498 0.000 1.084 82 D CA -0.355 53.395 54.000 -0.416 0.000 0.843 82 D CB 0.378 41.056 40.800 -0.204 0.000 1.097 82 D HN 0.303 8.673 8.370 0.000 0.000 0.531 83 F N 1.544 121.499 119.950 0.010 0.000 2.602 83 F HA 0.339 4.865 4.527 -0.001 0.000 0.284 83 F C 2.165 177.958 175.800 -0.011 0.000 1.111 83 F CA 0.370 58.367 58.000 -0.005 0.000 1.405 83 F CB 0.177 39.150 39.000 -0.045 0.000 1.121 83 F HN 0.590 8.890 8.300 0.000 0.000 0.603 84 G N 0.736 109.618 108.800 0.137 0.000 4.391 84 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.210 84 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.210 84 G C 0.090 175.034 174.900 0.074 0.000 1.547 84 G CA 0.206 45.352 45.100 0.076 0.000 1.103 84 G HN 0.141 8.431 8.290 0.000 0.000 0.637 85 M N -1.550 118.094 119.600 0.075 0.000 3.213 85 M HA 0.841 5.320 4.480 -0.001 0.000 0.278 85 M C 0.559 176.868 176.300 0.014 0.000 1.332 85 M CA -0.094 55.229 55.300 0.039 0.000 0.810 85 M CB 1.554 34.167 32.600 0.021 0.000 1.676 85 M HN 0.274 8.564 8.290 0.000 0.000 0.463 86 K N -0.146 120.246 120.400 -0.013 0.000 3.610 86 K HA -0.170 4.150 4.320 -0.001 0.000 0.283 86 K C -1.158 175.389 176.600 -0.089 0.000 1.210 86 K CA 1.801 58.062 56.287 -0.043 0.000 1.026 86 K CB -0.876 31.598 32.500 -0.042 0.000 1.295 86 K HN 0.928 9.178 8.250 0.000 0.000 0.468 87 K N -1.393 118.949 120.400 -0.095 0.000 6.222 87 K HA -0.136 4.184 4.320 -0.001 0.000 0.588 87 K C -2.671 173.663 176.600 -0.442 0.000 2.571 87 K CA 0.528 56.709 56.287 -0.177 0.000 2.013 87 K CB -1.187 31.232 32.500 -0.134 0.000 2.494 87 K HN 0.084 8.334 8.250 0.000 0.000 0.241 88 P HA 0.159 4.579 4.420 0.000 0.000 0.269 88 P C -2.359 174.474 177.300 -0.778 0.000 1.215 88 P CA -0.971 61.211 63.100 -1.530 0.000 0.780 88 P CB -0.051 30.603 31.700 -1.744 0.000 0.898 89 P HA 0.114 4.534 4.420 0.000 0.000 0.269 89 P C -0.572 176.696 177.300 -0.054 0.000 1.215 89 P CA -0.058 62.907 63.100 -0.225 0.000 0.780 89 P CB 0.260 31.890 31.700 -0.116 0.000 0.898 90 L N 3.599 124.799 121.223 -0.037 0.000 2.260 90 L HA 0.190 4.530 4.340 -0.001 0.000 0.289 90 L C -0.218 176.646 176.870 -0.010 0.000 1.057 90 L CA 0.035 54.877 54.840 0.004 0.000 0.811 90 L CB -0.163 41.885 42.059 -0.019 0.000 1.184 90 L HN 0.209 8.439 8.230 0.000 0.000 0.429 91 L N 5.869 127.078 121.223 -0.023 0.000 2.451 91 L HA 0.173 4.512 4.340 -0.001 0.000 0.272 91 L C 0.608 177.436 176.870 -0.069 0.000 1.258 91 L CA 0.290 55.074 54.840 -0.094 0.000 1.132 91 L CB -0.942 40.990 42.059 -0.211 0.000 1.361 91 L HN 0.798 9.028 8.230 0.000 0.000 0.438 92 N N 1.743 120.414 118.700 -0.049 0.000 2.365 92 N HA 0.140 4.880 4.740 -0.001 0.000 0.257 92 N C -0.427 175.063 175.510 -0.033 0.000 1.287 92 N CA -0.696 52.332 53.050 -0.037 0.000 0.882 92 N CB 0.509 38.980 38.487 -0.026 0.000 1.250 92 N HN 0.681 9.061 8.380 0.000 0.000 0.507 93 N N -2.262 116.414 118.700 -0.040 0.000 2.859 93 N HA 0.340 5.079 4.740 -0.001 0.000 0.250 93 N C 0.215 175.704 175.510 -0.035 0.000 1.341 93 N CA -0.622 52.409 53.050 -0.031 0.000 0.881 93 N CB 0.984 39.456 38.487 -0.025 0.000 1.516 93 N HN -0.083 8.297 8.380 0.000 0.000 0.503 94 A N 0.340 123.146 122.820 -0.024 0.000 1.917 94 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 94 A C 1.668 179.238 177.584 -0.024 0.000 1.182 94 A CA 2.414 54.440 52.037 -0.019 0.000 0.633 94 A CB -1.303 17.693 19.000 -0.006 0.000 0.819 94 A HN 0.928 9.078 8.150 0.000 0.000 0.448 95 D N -0.550 119.837 120.400 -0.021 0.000 2.149 95 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 95 D C 2.038 178.322 176.300 -0.027 0.000 0.990 95 D CA 1.779 55.769 54.000 -0.018 0.000 0.839 95 D CB 0.000 40.794 40.800 -0.011 0.000 0.948 95 D HN 0.394 8.764 8.370 0.000 0.000 0.460 96 S N -0.346 115.329 115.700 -0.041 0.000 2.348 96 S HA -0.178 4.291 4.470 -0.001 0.000 0.221 96 S C 2.346 176.882 174.600 -0.106 0.000 1.033 96 S CA 1.448 59.609 58.200 -0.064 0.000 1.010 96 S CB -0.788 62.365 63.200 -0.077 0.000 0.891 96 S HN 0.440 8.750 8.310 0.000 0.000 0.442 97 V N 0.811 120.657 119.914 -0.114 0.000 2.407 97 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 97 V C 2.052 178.094 176.094 -0.087 0.000 1.055 97 V CA 1.841 64.060 62.300 -0.136 0.000 1.049 97 V CB -1.169 30.593 31.823 -0.102 0.000 0.662 97 V HN 0.351 8.541 8.190 0.000 0.000 0.455 98 Q N 0.742 120.509 119.800 -0.055 0.000 2.061 98 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 98 Q C 2.521 178.499 176.000 -0.037 0.000 0.984 98 Q CA 2.402 58.178 55.803 -0.045 0.000 0.846 98 Q CB -0.580 28.135 28.738 -0.039 0.000 0.902 98 Q HN 0.803 9.073 8.270 0.000 0.000 0.421 99 A N 1.007 123.811 122.820 -0.026 0.000 1.877 99 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 99 A C 1.925 179.499 177.584 -0.016 0.000 1.186 99 A CA 1.360 53.400 52.037 0.006 0.000 0.620 99 A CB -0.290 18.732 19.000 0.035 0.000 0.822 99 A HN 0.076 8.226 8.150 0.000 0.000 0.443 100 K N -0.000 120.357 120.400 -0.072 0.000 2.097 100 K HA -0.035 4.284 4.320 -0.001 0.000 0.206 100 K C 2.204 178.772 176.600 -0.053 0.000 1.049 100 K CA 1.326 57.552 56.287 -0.103 0.000 0.933 100 K CB -0.805 31.457 32.500 -0.396 0.000 0.717 100 K HN 0.466 8.716 8.250 0.000 0.000 0.442 101 A N 1.738 124.541 122.820 -0.028 0.000 1.930 101 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 101 A C 2.162 179.777 177.584 0.051 0.000 1.175 101 A CA 1.612 53.695 52.037 0.077 0.000 0.627 101 A CB -0.368 18.700 19.000 0.112 0.000 0.815 101 A HN 0.457 8.607 8.150 0.000 0.000 0.443 102 E N -0.173 120.023 120.200 -0.007 0.000 2.118 102 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 102 E C 1.981 178.546 176.600 -0.057 0.000 0.992 102 E CA 1.636 58.026 56.400 -0.016 0.000 0.804 102 E CB -0.283 29.415 29.700 -0.004 0.000 0.741 102 E HN 0.691 9.051 8.360 0.000 0.000 0.458 103 M N 0.477 119.968 119.600 -0.182 0.000 2.175 103 M HA -0.119 4.361 4.480 -0.001 0.000 0.264 103 M C 2.115 178.218 176.300 -0.328 0.000 1.063 103 M CA 1.108 56.088 55.300 -0.533 0.000 1.119 103 M CB -0.015 32.058 32.600 -0.879 0.000 1.377 103 M HN 0.161 8.451 8.290 0.000 0.000 0.415 104 L N 0.371 121.472 121.223 -0.204 0.000 2.046 104 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 104 L C 2.107 178.889 176.870 -0.148 0.000 1.077 104 L CA 1.217 55.899 54.840 -0.263 0.000 0.747 104 L CB -1.039 40.707 42.059 -0.522 0.000 0.896 104 L HN 0.339 8.569 8.230 0.000 0.000 0.432 105 D N -0.065 120.347 120.400 0.020 0.000 2.104 105 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 105 D C 1.856 178.179 176.300 0.039 0.000 0.994 105 D CA 1.415 55.480 54.000 0.109 0.000 0.830 105 D CB -0.375 40.496 40.800 0.119 0.000 0.959 105 D HN 0.255 8.625 8.370 0.000 0.000 0.452 106 N N 0.843 119.553 118.700 0.016 0.000 2.084 106 N HA -0.095 4.644 4.740 -0.001 0.000 0.190 106 N C 2.044 177.575 175.510 0.035 0.000 1.030 106 N CA 0.667 53.746 53.050 0.047 0.000 0.849 106 N CB -0.463 38.103 38.487 0.131 0.000 1.012 106 N HN 0.135 8.515 8.380 0.000 0.000 0.423 107 L N 0.182 121.396 121.223 -0.015 0.000 2.079 107 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 107 L C 2.386 179.243 176.870 -0.022 0.000 1.081 107 L CA 0.735 55.558 54.840 -0.029 0.000 0.752 107 L CB -0.453 41.545 42.059 -0.101 0.000 0.896 107 L HN 0.341 8.571 8.230 0.000 0.000 0.433 108 L N -0.240 120.969 121.223 -0.023 0.000 2.046 108 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 108 L C 2.087 178.972 176.870 0.025 0.000 1.077 108 L CA 1.888 56.731 54.840 0.005 0.000 0.747 108 L CB -0.546 41.538 42.059 0.042 0.000 0.896 108 L HN 0.353 8.583 8.230 0.000 0.000 0.432 109 D N -0.360 120.055 120.400 0.025 0.000 2.183 109 D HA -0.093 4.547 4.640 -0.001 0.000 0.203 109 D C 2.240 178.563 176.300 0.038 0.000 0.969 109 D CA 0.811 54.824 54.000 0.022 0.000 0.842 109 D CB 0.164 40.968 40.800 0.005 0.000 0.957 109 D HN 0.349 8.719 8.370 0.000 0.000 0.484 110 I N 0.982 121.580 120.570 0.046 0.000 2.315 110 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 110 I C 2.431 178.605 176.117 0.096 0.000 1.117 110 I CA 0.865 62.206 61.300 0.068 0.000 1.404 110 I CB 0.034 38.067 38.000 0.055 0.000 1.071 110 I HN -0.059 8.151 8.210 0.000 0.000 0.419 111 E N 0.948 121.185 120.200 0.063 0.000 2.072 111 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 111 E C 2.303 178.974 176.600 0.120 0.000 0.985 111 E CA 1.436 57.883 56.400 0.078 0.000 0.801 111 E CB 0.034 29.751 29.700 0.029 0.000 0.750 111 E HN 0.285 8.645 8.360 0.000 0.000 0.452 112 V N 1.572 121.538 119.914 0.086 0.000 2.295 112 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 112 V C 2.658 178.823 176.094 0.118 0.000 1.049 112 V CA 1.920 64.269 62.300 0.082 0.000 1.024 112 V CB -0.939 30.912 31.823 0.047 0.000 0.648 112 V HN 0.387 8.577 8.190 0.000 0.000 0.447 113 A N -1.353 121.542 122.820 0.125 0.000 1.933 113 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 113 A C 2.143 179.882 177.584 0.258 0.000 1.175 113 A CA 2.003 54.144 52.037 0.173 0.000 0.628 113 A CB -0.724 18.334 19.000 0.096 0.000 0.814 113 A HN 0.610 8.760 8.150 0.000 0.000 0.444 114 Y N 1.621 121.986 120.300 0.109 0.000 2.163 114 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 114 Y C 3.026 178.969 175.900 0.071 0.000 1.136 114 Y CA 2.099 60.253 58.100 0.091 0.000 1.147 114 Y CB -0.242 38.251 38.460 0.054 0.000 0.987 114 Y HN 0.447 8.727 8.280 0.000 0.000 0.509 115 S N -0.311 115.503 115.700 0.190 0.000 2.423 115 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 115 S C 2.049 176.667 174.600 0.030 0.000 1.014 115 S CA 1.194 59.451 58.200 0.096 0.000 0.965 115 S CB -0.823 62.441 63.200 0.107 0.000 0.785 115 S HN 0.517 8.827 8.310 0.000 0.000 0.495 116 L N 0.181 121.445 121.223 0.068 0.000 2.072 116 L HA 0.114 4.453 4.340 -0.001 0.000 0.205 116 L C 2.427 179.282 176.870 -0.025 0.000 1.079 116 L CA 1.231 56.110 54.840 0.065 0.000 0.752 116 L CB -0.381 41.785 42.059 0.178 0.000 0.906 116 L HN 0.407 8.637 8.230 0.000 0.000 0.436 117 L N -0.606 120.589 121.223 -0.047 0.000 2.551 117 L HA -0.076 4.263 4.340 -0.001 0.000 0.228 117 L C 2.333 179.042 176.870 -0.269 0.000 1.153 117 L CA 1.184 55.880 54.840 -0.240 0.000 0.851 117 L CB -0.431 41.529 42.059 -0.165 0.000 0.959 117 L HN 0.094 8.324 8.230 0.000 0.000 0.451 118 R N -0.597 119.763 120.500 -0.233 0.000 2.250 118 R HA 0.338 4.678 4.340 -0.001 0.000 0.194 118 R C 1.036 177.267 176.300 -0.116 0.000 0.927 118 R CA 0.593 56.567 56.100 -0.211 0.000 1.052 118 R CB -0.396 29.760 30.300 -0.241 0.000 1.055 118 R HN 0.384 8.654 8.270 0.000 0.000 0.537 119 G N 0.304 109.054 108.800 -0.083 0.000 2.606 119 G HA2 0.404 4.363 3.960 -0.001 0.000 0.252 119 G HA3 0.404 4.363 3.960 -0.001 0.000 0.252 119 G C 0.283 175.146 174.900 -0.061 0.000 1.206 119 G CA 0.538 45.607 45.100 -0.052 0.000 0.861 119 G HN 0.404 8.694 8.290 0.000 0.000 0.561 120 G N -0.788 107.985 108.800 -0.043 0.000 2.660 120 G HA2 0.021 3.981 3.960 -0.001 0.000 0.215 120 G HA3 0.021 3.981 3.960 -0.001 0.000 0.215 120 G C 0.022 174.896 174.900 -0.044 0.000 1.345 120 G CA -0.033 45.041 45.100 -0.043 0.000 0.877 120 G HN 1.357 9.647 8.290 0.000 0.000 0.549 121 S N 0.894 116.570 115.700 -0.041 0.000 2.473 121 S HA 0.415 4.884 4.470 -0.001 0.000 0.312 121 S C 0.058 174.630 174.600 -0.047 0.000 1.087 121 S CA -0.214 57.964 58.200 -0.037 0.000 1.077 121 S CB 1.073 64.257 63.200 -0.027 0.000 1.065 121 S HN 0.507 8.817 8.310 0.000 0.000 0.510 122 D N 2.804 123.173 120.400 -0.051 0.000 2.644 122 D HA -0.010 4.629 4.640 -0.001 0.000 0.252 122 D C 0.584 176.858 176.300 -0.043 0.000 1.254 122 D CA 0.261 54.227 54.000 -0.058 0.000 0.884 122 D CB -0.120 40.643 40.800 -0.061 0.000 1.034 122 D HN 0.595 8.965 8.370 0.000 0.000 0.473 123 D N -0.966 119.412 120.400 -0.036 0.000 2.283 123 D HA 0.040 4.680 4.640 -0.001 0.000 0.248 123 D C 0.186 176.470 176.300 -0.027 0.000 1.072 123 D CA -0.410 53.574 54.000 -0.028 0.000 0.929 123 D CB 1.287 42.073 40.800 -0.022 0.000 1.182 123 D HN -0.134 8.236 8.370 0.000 0.000 0.433 124 S N 0.933 116.619 115.700 -0.022 0.000 2.743 124 S HA -0.037 4.432 4.470 -0.001 0.000 0.230 124 S C 1.685 176.275 174.600 -0.017 0.000 0.950 124 S CA 0.034 58.222 58.200 -0.020 0.000 0.976 124 S CB -0.306 62.884 63.200 -0.017 0.000 0.779 124 S HN 0.598 8.908 8.310 0.000 0.000 0.487 125 S N 1.688 117.378 115.700 -0.016 0.000 2.355 125 S HA 0.001 4.471 4.470 -0.001 0.000 0.222 125 S C 0.740 175.331 174.600 -0.014 0.000 1.031 125 S CA 0.587 58.779 58.200 -0.013 0.000 0.993 125 S CB -0.103 63.089 63.200 -0.012 0.000 0.859 125 S HN 0.468 8.778 8.310 0.000 0.000 0.453 126 K N 1.709 122.100 120.400 -0.016 0.000 2.156 126 K HA 0.246 4.565 4.320 -0.001 0.000 0.250 126 K C -0.925 175.663 176.600 -0.020 0.000 0.955 126 K CA -0.769 55.508 56.287 -0.016 0.000 0.855 126 K CB 1.137 33.629 32.500 -0.014 0.000 1.101 126 K HN 0.390 8.640 8.250 0.000 0.000 0.434 127 D N 3.896 124.284 120.400 -0.019 0.000 2.425 127 D HA 0.026 4.665 4.640 -0.001 0.000 0.247 127 D C -1.733 174.551 176.300 -0.026 0.000 1.147 127 D CA -1.445 52.542 54.000 -0.021 0.000 0.879 127 D CB 1.348 42.136 40.800 -0.019 0.000 1.179 127 D HN 0.229 8.599 8.370 0.000 0.000 0.456 128 P HA -0.172 4.248 4.420 0.000 0.000 0.216 128 P C 1.753 179.024 177.300 -0.048 0.000 1.154 128 P CA 1.082 64.151 63.100 -0.053 0.000 0.865 128 P CB 0.175 31.844 31.700 -0.050 0.000 0.789 129 I N -0.375 120.184 120.570 -0.019 0.000 2.127 129 I HA -0.239 3.931 4.170 -0.001 0.000 0.241 129 I C 1.748 177.886 176.117 0.036 0.000 1.075 129 I CA 1.798 63.105 61.300 0.010 0.000 1.334 129 I CB -0.863 37.145 38.000 0.013 0.000 1.040 129 I HN -0.020 8.190 8.210 0.000 0.000 0.405 130 D N 0.518 120.923 120.400 0.009 0.000 2.178 130 D HA -0.098 4.542 4.640 -0.001 0.000 0.202 130 D C 2.317 178.660 176.300 0.073 0.000 0.974 130 D CA 0.916 54.931 54.000 0.024 0.000 0.841 130 D CB -0.077 40.711 40.800 -0.021 0.000 0.953 130 D HN 0.166 8.536 8.370 0.000 0.000 0.478 131 V N 1.627 121.548 119.914 0.013 0.000 2.307 131 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 131 V C 1.971 178.039 176.094 -0.043 0.000 1.045 131 V CA 1.323 63.614 62.300 -0.015 0.000 1.024 131 V CB -0.420 31.371 31.823 -0.054 0.000 0.651 131 V HN 0.133 8.323 8.190 0.000 0.000 0.449 132 N N -0.536 118.100 118.700 -0.106 0.000 2.309 132 N HA -0.165 4.574 4.740 -0.001 0.000 0.182 132 N C 1.695 177.210 175.510 0.008 0.000 1.018 132 N CA 1.326 54.220 53.050 -0.260 0.000 0.876 132 N CB -0.462 37.705 38.487 -0.534 0.000 0.972 132 N HN 0.690 9.070 8.380 0.000 0.000 0.434 133 Y N 1.887 122.185 120.300 -0.003 0.000 2.274 133 Y HA -0.132 4.417 4.550 -0.002 0.000 0.290 133 Y C 1.846 177.775 175.900 0.049 0.000 1.145 133 Y CA 1.512 59.647 58.100 0.057 0.000 1.203 133 Y CB 0.051 38.529 38.460 0.029 0.000 0.984 133 Y HN 0.100 8.380 8.280 0.000 0.000 0.533 134 E N 0.149 120.408 120.200 0.098 0.000 2.107 134 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 134 E C 1.926 178.502 176.600 -0.039 0.000 0.982 134 E CA 1.190 57.599 56.400 0.015 0.000 0.809 134 E CB -0.085 29.654 29.700 0.065 0.000 0.756 134 E HN 0.452 8.812 8.360 0.000 0.000 0.459 135 K N 0.696 121.088 120.400 -0.014 0.000 2.211 135 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 135 K C 1.941 178.566 176.600 0.042 0.000 1.047 135 K CA 0.790 57.084 56.287 0.012 0.000 0.935 135 K CB -0.064 32.438 32.500 0.002 0.000 0.728 135 K HN 0.136 8.386 8.250 0.000 0.000 0.452 136 L N 0.351 121.584 121.223 0.017 0.000 2.291 136 L HA -0.071 4.269 4.340 -0.001 0.000 0.214 136 L C 0.408 177.225 176.870 -0.088 0.000 1.120 136 L CA 0.406 55.231 54.840 -0.026 0.000 0.799 136 L CB -0.137 41.866 42.059 -0.093 0.000 0.925 136 L HN 0.085 8.315 8.230 0.000 0.000 0.446 137 K N 0.656 120.987 120.400 -0.116 0.000 3.069 137 K HA -0.150 4.170 4.320 -0.001 0.000 0.267 137 K C -0.453 176.079 176.600 -0.113 0.000 1.082 137 K CA 0.698 56.929 56.287 -0.093 0.000 0.782 137 K CB -1.911 30.561 32.500 -0.046 0.000 1.230 137 K HN 0.249 8.499 8.250 0.000 0.000 0.488 138 T N -0.087 114.350 114.554 -0.197 0.000 2.886 138 T HA 0.257 4.607 4.350 -0.001 0.000 0.292 138 T C -1.029 173.557 174.700 -0.189 0.000 1.012 138 T CA -0.859 61.145 62.100 -0.160 0.000 0.982 138 T CB 1.904 70.692 68.868 -0.133 0.000 1.018 138 T HN 0.129 8.369 8.240 0.000 0.000 0.451 139 D N 2.717 123.086 120.400 -0.050 0.000 2.295 139 D HA 0.355 4.995 4.640 -0.001 0.000 0.248 139 D C -0.547 175.811 176.300 0.096 0.000 1.154 139 D CA -0.303 53.736 54.000 0.064 0.000 0.857 139 D CB 0.338 41.180 40.800 0.070 0.000 1.117 139 D HN 0.381 8.751 8.370 0.000 0.000 0.468 140 I N 3.690 124.393 120.570 0.221 0.000 2.418 140 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 140 I C -0.025 176.241 176.117 0.248 0.000 1.008 140 I CA -0.889 60.539 61.300 0.213 0.000 1.104 140 I CB 1.575 39.683 38.000 0.179 0.000 1.264 140 I HN 0.134 8.344 8.210 0.000 0.000 0.438 141 K N 4.714 125.261 120.400 0.245 0.000 2.375 141 K HA 0.639 4.958 4.320 -0.001 0.000 0.249 141 K C -0.993 175.778 176.600 0.285 0.000 0.942 141 K CA -0.835 55.584 56.287 0.221 0.000 0.806 141 K CB 3.006 35.592 32.500 0.144 0.000 1.227 141 K HN 0.216 8.466 8.250 0.000 0.000 0.430 142 V N 2.154 122.191 119.914 0.206 0.000 2.649 142 V HA 0.144 4.264 4.120 -0.001 0.000 0.292 142 V C -0.189 175.920 176.094 0.025 0.000 1.055 142 V CA -0.685 61.662 62.300 0.078 0.000 1.023 142 V CB 1.350 33.194 31.823 0.035 0.000 0.992 142 V HN 0.442 8.632 8.190 0.000 0.000 0.480 143 V N 4.056 123.940 119.914 -0.049 0.000 2.370 143 V HA 0.280 4.400 4.120 -0.001 0.000 0.279 143 V C -0.279 175.778 176.094 -0.062 0.000 1.029 143 V CA -0.896 61.393 62.300 -0.018 0.000 0.870 143 V CB 1.523 33.346 31.823 -0.000 0.000 0.984 143 V HN 0.891 9.081 8.190 0.000 0.000 0.451 144 D N 3.622 124.002 120.400 -0.032 0.000 2.455 144 D HA 0.084 4.724 4.640 -0.001 0.000 0.241 144 D C 1.089 177.361 176.300 -0.047 0.000 1.138 144 D CA -0.005 53.972 54.000 -0.037 0.000 0.877 144 D CB 0.790 41.579 40.800 -0.018 0.000 1.187 144 D HN 0.395 8.765 8.370 0.000 0.000 0.451 145 R N 1.004 121.474 120.500 -0.051 0.000 2.112 145 R HA -0.190 4.150 4.340 -0.001 0.000 0.242 145 R C -0.024 176.254 176.300 -0.037 0.000 1.137 145 R CA 1.551 57.621 56.100 -0.049 0.000 0.944 145 R CB -0.003 30.271 30.300 -0.043 0.000 0.857 145 R HN 0.462 8.732 8.270 0.000 0.000 0.435 146 D N 0.171 120.555 120.400 -0.027 0.000 3.038 146 D HA 0.038 4.678 4.640 -0.001 0.000 0.243 146 D C -0.498 175.791 176.300 -0.018 0.000 1.245 146 D CA -0.005 53.983 54.000 -0.020 0.000 0.871 146 D CB 0.568 41.359 40.800 -0.015 0.000 1.089 146 D HN 0.171 8.541 8.370 0.000 0.000 0.464 147 S N -1.512 114.175 115.700 -0.023 0.000 2.607 147 S HA 0.320 4.790 4.470 -0.001 0.000 0.303 147 S C 0.952 175.538 174.600 -0.023 0.000 1.086 147 S CA -0.883 57.306 58.200 -0.018 0.000 0.995 147 S CB 2.427 65.618 63.200 -0.014 0.000 1.084 147 S HN 0.038 8.348 8.310 0.000 0.000 0.507 148 E N 0.715 120.905 120.200 -0.017 0.000 2.153 148 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 148 E C 1.615 178.193 176.600 -0.037 0.000 0.988 148 E CA 1.367 57.755 56.400 -0.021 0.000 0.811 148 E CB -0.056 29.636 29.700 -0.012 0.000 0.746 148 E HN 0.816 9.176 8.360 0.000 0.000 0.466 149 E N 0.032 120.207 120.200 -0.041 0.000 2.023 149 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 149 E C 2.011 178.530 176.600 -0.134 0.000 1.003 149 E CA 1.175 57.523 56.400 -0.088 0.000 0.809 149 E CB -0.118 29.547 29.700 -0.057 0.000 0.755 149 E HN 0.265 8.625 8.360 0.000 0.000 0.449 150 A N 0.967 123.726 122.820 -0.100 0.000 1.908 150 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 150 A C 1.940 179.487 177.584 -0.062 0.000 1.181 150 A CA 1.846 53.826 52.037 -0.094 0.000 0.627 150 A CB -0.573 18.385 19.000 -0.071 0.000 0.818 150 A HN 0.239 8.389 8.150 0.000 0.000 0.445 151 E N -0.409 119.764 120.200 -0.045 0.000 2.051 151 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 151 E C 1.959 178.550 176.600 -0.015 0.000 0.991 151 E CA 1.210 57.595 56.400 -0.024 0.000 0.799 151 E CB -0.227 29.461 29.700 -0.020 0.000 0.748 151 E HN 0.581 8.941 8.360 0.000 0.000 0.449 152 I N 0.956 121.506 120.570 -0.033 0.000 2.142 152 I HA -0.270 3.899 4.170 -0.001 0.000 0.240 152 I C 2.486 178.613 176.117 0.016 0.000 1.078 152 I CA 1.348 62.631 61.300 -0.028 0.000 1.343 152 I CB -0.857 37.105 38.000 -0.063 0.000 1.046 152 I HN 0.166 8.376 8.210 0.000 0.000 0.405 153 I N 0.451 121.006 120.570 -0.026 0.000 2.127 153 I HA -0.314 3.856 4.170 -0.001 0.000 0.241 153 I C 2.865 179.064 176.117 0.137 0.000 1.075 153 I CA 1.409 62.729 61.300 0.034 0.000 1.334 153 I CB -0.415 37.512 38.000 -0.122 0.000 1.040 153 I HN 0.169 8.379 8.210 0.000 0.000 0.405 154 R N 0.543 121.078 120.500 0.059 0.000 2.105 154 R HA -0.245 4.095 4.340 -0.001 0.000 0.239 154 R C 2.329 178.687 176.300 0.097 0.000 1.135 154 R CA 1.704 57.839 56.100 0.058 0.000 0.967 154 R CB -0.246 30.061 30.300 0.011 0.000 0.861 154 R HN 0.256 8.526 8.270 0.000 0.000 0.442 155 K N -0.393 120.069 120.400 0.104 0.000 2.097 155 K HA -0.193 4.126 4.320 -0.001 0.000 0.205 155 K C 2.013 178.745 176.600 0.220 0.000 1.050 155 K CA 1.155 57.512 56.287 0.116 0.000 0.938 155 K CB -0.248 32.295 32.500 0.072 0.000 0.718 155 K HN 0.077 8.327 8.250 0.000 0.000 0.442 156 Y N 0.930 121.299 120.300 0.114 0.000 2.165 156 Y HA -0.175 4.375 4.550 0.000 0.000 0.286 156 Y C 1.899 177.975 175.900 0.294 0.000 1.155 156 Y CA 0.977 59.207 58.100 0.216 0.000 1.164 156 Y CB -0.450 38.145 38.460 0.226 0.000 0.978 156 Y HN -0.115 8.165 8.280 0.000 0.000 0.513 157 V N -0.016 120.101 119.914 0.337 0.000 2.427 157 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 157 V C 2.436 178.555 176.094 0.041 0.000 1.051 157 V CA 1.931 64.267 62.300 0.061 0.000 1.048 157 V CB -0.458 31.357 31.823 -0.013 0.000 0.666 157 V HN 0.216 8.406 8.190 0.000 0.000 0.456 158 K N 0.182 120.639 120.400 0.095 0.000 1.991 158 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 158 K C 2.038 178.714 176.600 0.126 0.000 1.045 158 K CA 1.808 58.151 56.287 0.093 0.000 0.937 158 K CB -0.282 32.261 32.500 0.073 0.000 0.720 158 K HN 0.548 8.798 8.250 0.000 0.000 0.438 159 N N -0.118 118.670 118.700 0.146 0.000 2.069 159 N HA -0.149 4.591 4.740 -0.001 0.000 0.191 159 N C 1.556 177.159 175.510 0.156 0.000 1.031 159 N CA 1.810 54.946 53.050 0.143 0.000 0.852 159 N CB -0.108 38.471 38.487 0.154 0.000 1.018 159 N HN 0.301 8.681 8.380 0.000 0.000 0.423 160 T N -2.285 112.389 114.554 0.200 0.000 3.160 160 T HA -0.067 4.283 4.350 -0.001 0.000 0.257 160 T C 0.302 175.042 174.700 0.067 0.000 1.147 160 T CA 0.276 62.470 62.100 0.156 0.000 1.064 160 T CB -0.294 68.710 68.868 0.226 0.000 0.949 160 T HN 0.182 8.422 8.240 0.000 0.000 0.526 161 H N 0.884 119.932 119.070 -0.037 0.000 2.517 161 H HA 0.737 5.291 4.556 -0.002 0.000 0.317 161 H C 0.239 175.564 175.328 -0.005 0.000 1.080 161 H CA -0.480 55.526 56.048 -0.071 0.000 1.301 161 H CB 1.011 30.716 29.762 -0.094 0.000 1.425 161 H HN 0.224 8.504 8.280 0.000 0.000 0.471 162 A N 2.953 125.555 122.820 -0.364 0.000 3.774 162 A HA 0.442 4.761 4.320 -0.001 0.000 0.171 162 A C 0.648 178.044 177.584 -0.313 0.000 1.655 162 A CA 0.599 52.526 52.037 -0.183 0.000 1.543 162 A CB 0.086 19.181 19.000 0.158 0.000 1.659 162 A HN 0.742 8.892 8.150 0.000 0.000 0.636 163 T N -2.551 111.940 114.554 -0.105 0.000 3.304 163 T HA 0.067 4.417 4.350 -0.001 0.000 0.269 163 T C 1.429 176.022 174.700 -0.178 0.000 0.895 163 T CA 0.713 62.718 62.100 -0.158 0.000 0.948 163 T CB -0.200 68.601 68.868 -0.112 0.000 1.242 163 T HN 0.398 8.638 8.240 0.000 0.000 0.522 164 T N 1.716 116.116 114.554 -0.258 0.000 3.155 164 T HA -0.034 4.316 4.350 -0.001 0.000 0.264 164 T C 0.227 174.480 174.700 -0.745 0.000 1.160 164 T CA 0.952 62.749 62.100 -0.506 0.000 1.075 164 T CB -0.203 68.332 68.868 -0.555 0.000 0.921 164 T HN 0.504 8.744 8.240 0.000 0.000 0.533 165 H N -0.400 118.614 119.070 -0.094 0.000 2.637 165 H HA 0.373 4.929 4.556 -0.001 0.000 0.245 165 H C 0.116 175.276 175.328 -0.281 0.000 1.190 165 H CA -0.579 55.414 56.048 -0.092 0.000 0.934 165 H CB -0.222 29.558 29.762 0.030 0.000 1.950 165 H HN 0.040 8.320 8.280 0.000 0.000 0.614 166 N N 1.516 120.092 118.700 -0.206 0.000 3.271 166 N HA 0.235 4.974 4.740 -0.001 0.000 0.303 166 N C 0.508 175.919 175.510 -0.166 0.000 1.415 166 N CA 0.049 52.941 53.050 -0.262 0.000 1.159 166 N CB 0.649 39.015 38.487 -0.202 0.000 1.432 166 N HN 0.468 8.848 8.380 0.000 0.000 0.521 167 A N 0.992 123.704 122.820 -0.181 0.000 2.178 167 A HA 0.074 4.393 4.320 -0.001 0.000 0.211 167 A C -0.016 177.698 177.584 0.217 0.000 1.157 167 A CA 0.684 52.774 52.037 0.088 0.000 0.780 167 A CB -0.039 19.109 19.000 0.248 0.000 0.828 167 A HN 0.580 8.730 8.150 0.000 0.000 0.476 168 Y N -3.813 116.557 120.300 0.116 0.000 2.689 168 Y HA 0.735 5.284 4.550 -0.002 0.000 0.333 168 Y C -1.571 174.323 175.900 -0.010 0.000 1.208 168 Y CA -2.304 55.757 58.100 -0.066 0.000 1.055 168 Y CB 0.425 38.634 38.460 -0.418 0.000 1.304 168 Y HN -0.084 8.196 8.280 0.000 0.000 0.455 169 D N 0.722 121.200 120.400 0.130 0.000 2.419 169 D HA 0.518 5.157 4.640 -0.001 0.000 0.234 169 D C -1.536 174.642 176.300 -0.203 0.000 1.014 169 D CA -0.326 53.688 54.000 0.023 0.000 0.919 169 D CB 2.833 43.645 40.800 0.020 0.000 1.366 169 D HN 0.386 8.756 8.370 0.000 0.000 0.490 170 L N 1.245 122.218 121.223 -0.416 0.000 2.329 170 L HA 0.345 4.684 4.340 -0.001 0.000 0.279 170 L C -0.108 176.573 176.870 -0.316 0.000 1.014 170 L CA -0.293 54.237 54.840 -0.517 0.000 0.814 170 L CB 1.391 43.040 42.059 -0.683 0.000 1.257 170 L HN 0.313 8.543 8.230 0.000 0.000 0.424 171 E N 1.974 122.007 120.200 -0.277 0.000 2.218 171 E HA 0.409 4.758 4.350 -0.001 0.000 0.263 171 E C -1.297 175.214 176.600 -0.148 0.000 0.879 171 E CA -0.602 55.699 56.400 -0.165 0.000 0.762 171 E CB 2.134 31.767 29.700 -0.112 0.000 1.166 171 E HN 0.270 8.630 8.360 0.000 0.000 0.415 172 V N 6.436 126.281 119.914 -0.115 0.000 2.405 172 V HA 0.079 4.199 4.120 -0.001 0.000 0.264 172 V C 1.081 177.133 176.094 -0.070 0.000 1.048 172 V CA 0.380 62.628 62.300 -0.087 0.000 0.966 172 V CB 0.427 32.210 31.823 -0.067 0.000 1.015 172 V HN 0.756 8.946 8.190 0.000 0.000 0.477 173 I N 2.259 122.795 120.570 -0.057 0.000 2.585 173 I HA 0.142 4.311 4.170 -0.001 0.000 0.254 173 I C 0.281 176.352 176.117 -0.076 0.000 1.129 173 I CA 1.010 62.283 61.300 -0.046 0.000 1.455 173 I CB 0.267 38.258 38.000 -0.014 0.000 1.111 173 I HN 0.547 8.757 8.210 0.000 0.000 0.433 174 D N 0.104 120.438 120.400 -0.110 0.000 2.837 174 D HA 0.504 5.143 4.640 -0.001 0.000 0.220 174 D C -0.899 175.176 176.300 -0.376 0.000 1.236 174 D CA -0.292 53.533 54.000 -0.291 0.000 0.838 174 D CB 2.942 43.528 40.800 -0.357 0.000 1.647 174 D HN -0.140 8.230 8.370 0.000 0.000 0.486 175 I N 1.348 121.612 120.570 -0.510 0.000 2.465 175 I HA 0.452 4.622 4.170 -0.001 0.000 0.291 175 I C -0.881 174.952 176.117 -0.473 0.000 1.014 175 I CA -0.735 60.372 61.300 -0.323 0.000 1.093 175 I CB 1.253 39.154 38.000 -0.166 0.000 1.267 175 I HN 0.117 8.327 8.210 0.000 0.000 0.431 176 F N 4.650 124.685 119.950 0.142 0.000 2.520 176 F HA 0.489 5.017 4.527 0.002 0.000 0.322 176 F C 0.141 176.085 175.800 0.241 0.000 1.103 176 F CA -0.958 57.136 58.000 0.156 0.000 0.926 176 F CB 1.464 40.534 39.000 0.117 0.000 1.154 176 F HN 0.226 8.526 8.300 0.000 0.000 0.453 177 K N 4.461 125.077 120.400 0.360 0.000 2.201 177 K HA 0.578 4.898 4.320 -0.001 0.000 0.278 177 K C -0.950 175.704 176.600 0.089 0.000 1.027 177 K CA -0.465 55.922 56.287 0.168 0.000 0.909 177 K CB 0.643 33.216 32.500 0.121 0.000 1.062 177 K HN 0.744 8.994 8.250 0.000 0.000 0.465 178 I N 0.409 120.957 120.570 -0.036 0.000 2.689 178 I HA 0.553 4.722 4.170 -0.001 0.000 0.299 178 I C -0.729 175.343 176.117 -0.074 0.000 1.059 178 I CA -0.551 60.740 61.300 -0.015 0.000 1.055 178 I CB 2.347 40.360 38.000 0.021 0.000 1.243 178 I HN 0.504 8.714 8.210 0.000 0.000 0.425 179 E N 4.983 125.156 120.200 -0.045 0.000 2.502 179 E HA 0.365 4.715 4.350 -0.001 0.000 0.261 179 E C -1.243 175.330 176.600 -0.045 0.000 0.974 179 E CA -0.792 55.576 56.400 -0.054 0.000 0.795 179 E CB 1.323 31.001 29.700 -0.037 0.000 1.385 179 E HN 0.613 8.973 8.360 0.000 0.000 0.400 180 R N 2.135 122.603 120.500 -0.054 0.000 2.449 180 R HA 0.011 4.350 4.340 -0.001 0.000 0.296 180 R C 0.382 176.660 176.300 -0.036 0.000 1.047 180 R CA 0.041 56.110 56.100 -0.050 0.000 1.018 180 R CB 0.750 31.018 30.300 -0.054 0.000 0.962 180 R HN 0.627 8.897 8.270 0.000 0.000 0.428 181 E N 2.595 122.775 120.200 -0.033 0.000 2.383 181 E HA 0.031 4.381 4.350 -0.001 0.000 0.257 181 E C 0.549 177.142 176.600 -0.013 0.000 1.079 181 E CA 0.658 57.047 56.400 -0.019 0.000 0.934 181 E CB 0.220 29.909 29.700 -0.018 0.000 0.978 181 E HN 0.790 9.150 8.360 0.000 0.000 0.462 182 G N 4.621 113.419 108.800 -0.004 0.000 2.882 182 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.198 182 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.198 182 G C 0.031 174.937 174.900 0.011 0.000 1.977 182 G CA -0.122 44.981 45.100 0.004 0.000 1.541 182 G HN 0.710 9.000 8.290 0.000 0.000 0.567 183 E N 1.565 121.763 120.200 -0.002 0.000 2.351 183 E HA 0.273 4.622 4.350 -0.001 0.000 0.241 183 E C 1.041 177.646 176.600 0.009 0.000 1.243 183 E CA 1.065 57.465 56.400 -0.001 0.000 0.963 183 E CB -0.979 28.697 29.700 -0.040 0.000 1.042 183 E HN 1.364 9.724 8.360 0.000 0.000 0.468 184 C N 1.763 121.097 119.300 0.057 0.000 5.878 184 C HA 0.041 4.501 4.460 -0.001 0.000 0.317 184 C C 1.322 176.370 174.990 0.097 0.000 0.845 184 C CA -0.312 58.749 59.018 0.072 0.000 2.348 184 C CB -0.114 27.645 27.740 0.031 0.000 2.017 184 C HN 0.610 8.840 8.230 0.000 0.000 0.376 185 Q N 1.183 121.031 119.800 0.078 0.000 2.378 185 Q HA 0.172 4.512 4.340 -0.001 0.000 0.229 185 Q C 2.113 178.171 176.000 0.096 0.000 0.882 185 Q CA 0.379 56.223 55.803 0.068 0.000 0.936 185 Q CB 0.158 28.922 28.738 0.044 0.000 1.092 185 Q HN 0.792 9.062 8.270 0.000 0.000 0.535 186 R N -0.111 120.460 120.500 0.117 0.000 2.115 186 R HA -0.115 4.225 4.340 -0.001 0.000 0.226 186 R C 1.649 178.105 176.300 0.260 0.000 1.100 186 R CA 0.951 57.143 56.100 0.153 0.000 0.980 186 R CB 0.080 30.438 30.300 0.097 0.000 0.875 186 R HN 0.149 8.419 8.270 0.000 0.000 0.445 187 Y N 0.870 121.227 120.300 0.096 0.000 2.490 187 Y HA 0.091 4.640 4.550 -0.002 0.000 0.285 187 Y C 1.907 177.904 175.900 0.163 0.000 1.117 187 Y CA 0.726 58.900 58.100 0.124 0.000 1.262 187 Y CB 0.153 38.620 38.460 0.011 0.000 1.043 187 Y HN -0.107 8.173 8.280 0.000 0.000 0.553 188 K N 0.391 120.826 120.400 0.058 0.000 2.052 188 K HA -0.216 4.103 4.320 -0.001 0.000 0.215 188 K C -0.801 175.709 176.600 -0.150 0.000 1.053 188 K CA 2.437 58.692 56.287 -0.054 0.000 0.934 188 K CB -1.005 31.496 32.500 0.001 0.000 0.717 188 K HN 0.275 8.525 8.250 0.000 0.000 0.450 189 P HA -0.133 4.287 4.420 0.000 0.000 0.215 189 P C 0.726 177.797 177.300 -0.382 0.000 1.157 189 P CA 1.323 64.265 63.100 -0.263 0.000 0.863 189 P CB -0.031 31.464 31.700 -0.342 0.000 0.787 190 F N -0.304 119.459 119.950 -0.312 0.000 2.583 190 F HA -0.049 4.478 4.527 -0.002 0.000 0.297 190 F C 2.134 177.645 175.800 -0.482 0.000 1.131 190 F CA 0.970 58.756 58.000 -0.356 0.000 1.467 190 F CB -0.741 38.085 39.000 -0.289 0.000 1.097 190 F HN -0.113 8.187 8.300 0.000 0.000 0.586 191 K N 0.237 120.382 120.400 -0.426 0.000 2.148 191 K HA -0.101 4.218 4.320 -0.001 0.000 0.204 191 K C 1.421 177.910 176.600 -0.184 0.000 1.050 191 K CA 0.699 56.770 56.287 -0.360 0.000 0.942 191 K CB -0.011 32.318 32.500 -0.286 0.000 0.724 191 K HN 0.204 8.454 8.250 0.000 0.000 0.446 192 Q N 0.733 120.425 119.800 -0.181 0.000 2.319 192 Q HA -0.011 4.328 4.340 -0.001 0.000 0.217 192 Q C -0.704 175.228 176.000 -0.113 0.000 0.924 192 Q CA 0.511 56.238 55.803 -0.127 0.000 0.964 192 Q CB -0.272 28.383 28.738 -0.139 0.000 1.025 192 Q HN 0.111 8.381 8.270 0.000 0.000 0.465 193 L N 1.975 123.131 121.223 -0.111 0.000 2.372 193 L HA 0.190 4.530 4.340 -0.001 0.000 0.274 193 L C 0.585 177.418 176.870 -0.062 0.000 0.988 193 L CA -0.665 54.111 54.840 -0.107 0.000 0.833 193 L CB 1.061 43.031 42.059 -0.148 0.000 1.236 193 L HN 0.248 8.478 8.230 0.000 0.000 0.410 194 H N 2.139 121.189 119.070 -0.033 0.000 2.190 194 H HA 0.054 4.609 4.556 -0.002 0.000 0.357 194 H C 0.246 175.576 175.328 0.003 0.000 1.993 194 H CA 0.119 56.160 56.048 -0.012 0.000 1.395 194 H CB 0.240 30.001 29.762 -0.002 0.000 1.620 194 H HN 0.652 8.932 8.280 0.000 0.000 0.530 195 N N -0.315 118.396 118.700 0.019 0.000 2.696 195 N HA -0.211 4.528 4.740 -0.001 0.000 0.256 195 N C -1.176 174.284 175.510 -0.084 0.000 1.031 195 N CA 0.592 53.611 53.050 -0.051 0.000 0.730 195 N CB -0.952 37.442 38.487 -0.155 0.000 0.894 195 N HN 0.580 8.960 8.380 0.000 0.000 0.544 196 R N 1.214 121.688 120.500 -0.043 0.000 2.312 196 R HA 0.516 4.855 4.340 -0.001 0.000 0.311 196 R C 0.126 176.370 176.300 -0.093 0.000 1.004 196 R CA -0.352 55.719 56.100 -0.048 0.000 0.902 196 R CB 0.981 31.290 30.300 0.015 0.000 1.073 196 R HN 0.271 8.541 8.270 0.000 0.000 0.457 197 R N 2.457 122.858 120.500 -0.166 0.000 2.795 197 R HA 0.366 4.706 4.340 -0.001 0.000 0.275 197 R C -1.278 174.875 176.300 -0.245 0.000 0.981 197 R CA -1.314 54.657 56.100 -0.214 0.000 0.917 197 R CB 1.602 31.718 30.300 -0.307 0.000 1.202 197 R HN 0.216 8.486 8.270 0.000 0.000 0.469 198 L N 3.391 124.493 121.223 -0.201 0.000 2.270 198 L HA 0.380 4.720 4.340 -0.001 0.000 0.286 198 L C -1.150 175.615 176.870 -0.176 0.000 1.059 198 L CA 0.056 54.786 54.840 -0.183 0.000 0.839 198 L CB 0.334 42.324 42.059 -0.114 0.000 1.221 198 L HN 0.442 8.672 8.230 0.000 0.000 0.431 199 L N 2.948 124.009 121.223 -0.270 0.000 2.313 199 L HA 0.541 4.880 4.340 -0.001 0.000 0.268 199 L C -0.786 176.029 176.870 -0.092 0.000 1.010 199 L CA -0.800 53.937 54.840 -0.173 0.000 0.814 199 L CB 1.290 43.242 42.059 -0.178 0.000 1.304 199 L HN 0.435 8.665 8.230 0.000 0.000 0.441 200 W N 0.022 121.438 121.300 0.193 0.000 2.313 200 W HA 0.397 5.055 4.660 -0.004 0.000 0.328 200 W C 0.125 176.877 176.519 0.389 0.000 1.197 200 W CA -0.018 57.444 57.345 0.195 0.000 1.235 200 W CB 0.562 30.043 29.460 0.035 0.000 1.158 200 W HN 0.295 8.475 8.180 0.000 0.000 0.578 201 H N 1.006 120.383 119.070 0.511 0.000 3.181 201 H HA 0.339 4.894 4.556 -0.002 0.000 0.331 201 H C -0.472 175.016 175.328 0.267 0.000 0.988 201 H CA -0.342 55.875 56.048 0.281 0.000 1.449 201 H CB 0.928 30.780 29.762 0.150 0.000 1.749 201 H HN 0.661 8.941 8.280 0.000 0.000 0.501 202 G N 2.074 110.826 108.800 -0.080 0.000 2.410 202 G HA2 0.490 4.450 3.960 -0.001 0.000 0.330 202 G HA3 0.490 4.450 3.960 -0.001 0.000 0.330 202 G C -0.936 173.976 174.900 0.020 0.000 1.142 202 G CA -0.439 44.734 45.100 0.121 0.000 0.902 202 G HN 0.505 8.795 8.290 0.000 0.000 0.491 203 S N -0.869 114.980 115.700 0.249 0.000 2.611 203 S HA 0.475 4.944 4.470 -0.001 0.000 0.268 203 S C -0.582 174.208 174.600 0.316 0.000 1.156 203 S CA -0.899 57.419 58.200 0.197 0.000 0.817 203 S CB 1.043 64.270 63.200 0.045 0.000 1.122 203 S HN 0.687 8.997 8.310 0.000 0.000 0.466 204 R N 1.071 121.691 120.500 0.200 0.000 2.694 204 R HA 0.186 4.525 4.340 -0.001 0.000 0.268 204 R C 1.015 177.497 176.300 0.303 0.000 1.061 204 R CA 0.002 56.210 56.100 0.180 0.000 1.133 204 R CB -0.469 29.878 30.300 0.078 0.000 1.020 204 R HN 0.733 9.003 8.270 0.000 0.000 0.475 205 T N 1.107 115.783 114.554 0.203 0.000 2.788 205 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 205 T C 1.798 176.620 174.700 0.204 0.000 1.044 205 T CA 2.251 64.459 62.100 0.180 0.000 1.139 205 T CB -0.255 68.625 68.868 0.020 0.000 0.867 205 T HN 0.799 9.039 8.240 0.000 0.000 0.454 206 T N 0.856 115.482 114.554 0.121 0.000 2.977 206 T HA -0.076 4.273 4.350 -0.001 0.000 0.271 206 T C 1.586 176.329 174.700 0.072 0.000 1.105 206 T CA 0.845 62.992 62.100 0.078 0.000 1.116 206 T CB -0.265 68.638 68.868 0.057 0.000 0.878 206 T HN 0.246 8.486 8.240 0.000 0.000 0.509 207 N N 0.063 118.820 118.700 0.095 0.000 2.353 207 N HA 0.219 4.958 4.740 -0.001 0.000 0.185 207 N C 0.836 176.286 175.510 -0.100 0.000 1.098 207 N CA 0.069 53.112 53.050 -0.010 0.000 0.872 207 N CB -0.328 38.123 38.487 -0.060 0.000 0.970 207 N HN 0.399 8.779 8.380 0.000 0.000 0.467 208 F N 1.635 121.547 119.950 -0.065 0.000 2.234 208 F HA 0.000 4.527 4.527 -0.001 0.000 0.299 208 F C 2.312 178.013 175.800 -0.165 0.000 1.087 208 F CA 0.628 58.572 58.000 -0.093 0.000 1.340 208 F CB -0.255 38.695 39.000 -0.083 0.000 1.031 208 F HN 0.023 8.323 8.300 0.000 0.000 0.500 209 A N 0.106 122.851 122.820 -0.125 0.000 1.877 209 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 209 A C 2.574 180.088 177.584 -0.116 0.000 1.186 209 A CA 1.765 53.640 52.037 -0.269 0.000 0.620 209 A CB -1.549 17.173 19.000 -0.462 0.000 0.822 209 A HN 0.384 8.534 8.150 0.000 0.000 0.443 210 G N -0.146 108.602 108.800 -0.086 0.000 2.408 210 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.217 210 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.217 210 G C 1.531 176.375 174.900 -0.094 0.000 1.150 210 G CA 1.071 46.134 45.100 -0.062 0.000 0.776 210 G HN 0.469 8.759 8.290 0.000 0.000 0.542 211 I N 0.291 120.766 120.570 -0.159 0.000 2.163 211 I HA -0.101 4.069 4.170 -0.001 0.000 0.240 211 I C 2.696 178.734 176.117 -0.131 0.000 1.081 211 I CA 0.766 61.944 61.300 -0.204 0.000 1.353 211 I CB -0.217 37.539 38.000 -0.408 0.000 1.054 211 I HN 0.109 8.319 8.210 0.000 0.000 0.407 212 L N 0.118 121.288 121.223 -0.088 0.000 2.093 212 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 212 L C 2.795 179.632 176.870 -0.055 0.000 1.085 212 L CA 1.605 56.415 54.840 -0.049 0.000 0.755 212 L CB -0.617 41.429 42.059 -0.022 0.000 0.904 212 L HN 0.359 8.589 8.230 0.000 0.000 0.435 213 S N -0.258 115.413 115.700 -0.049 0.000 2.371 213 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 213 S C 1.728 176.309 174.600 -0.031 0.000 1.029 213 S CA 0.852 59.036 58.200 -0.028 0.000 0.978 213 S CB 0.016 63.218 63.200 0.004 0.000 0.833 213 S HN 0.530 8.840 8.310 0.000 0.000 0.466 214 Q N 0.354 120.129 119.800 -0.042 0.000 2.281 214 Q HA 0.405 4.745 4.340 -0.001 0.000 0.215 214 Q C 0.950 176.916 176.000 -0.057 0.000 0.867 214 Q CA 0.145 55.924 55.803 -0.040 0.000 0.940 214 Q CB 0.901 29.620 28.738 -0.031 0.000 1.111 214 Q HN 0.671 8.941 8.270 0.000 0.000 0.513 215 G N 1.672 110.426 108.800 -0.077 0.000 2.795 215 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.664 215 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.664 215 G C -0.658 174.168 174.900 -0.124 0.000 1.381 215 G CA -0.918 44.125 45.100 -0.095 0.000 0.853 215 G HN 0.167 8.457 8.290 0.000 0.000 0.545 216 L N 0.622 121.753 121.223 -0.155 0.000 2.455 216 L HA 0.372 4.711 4.340 -0.001 0.000 0.272 216 L C 1.411 178.197 176.870 -0.141 0.000 1.174 216 L CA 0.181 54.897 54.840 -0.207 0.000 0.869 216 L CB 0.356 42.233 42.059 -0.304 0.000 1.130 216 L HN 0.600 8.830 8.230 0.000 0.000 0.474 217 R N 3.384 123.812 120.500 -0.121 0.000 2.873 217 R HA 0.670 5.010 4.340 -0.001 0.000 0.264 217 R C -0.948 175.311 176.300 -0.067 0.000 1.026 217 R CA -1.000 55.053 56.100 -0.078 0.000 1.002 217 R CB 2.079 32.347 30.300 -0.054 0.000 1.174 217 R HN 0.460 8.730 8.270 0.000 0.000 0.488 218 I N 1.616 122.152 120.570 -0.057 0.000 2.377 218 I HA 0.283 4.452 4.170 -0.001 0.000 0.293 218 I C 0.414 176.479 176.117 -0.087 0.000 0.987 218 I CA -0.681 60.578 61.300 -0.067 0.000 1.185 218 I CB 1.824 39.793 38.000 -0.052 0.000 1.341 218 I HN 0.689 8.899 8.210 0.000 0.000 0.455 219 A N 8.923 131.665 122.820 -0.130 0.000 2.587 219 A HA 0.198 4.517 4.320 -0.001 0.000 0.233 219 A C -2.173 175.297 177.584 -0.190 0.000 1.049 219 A CA -0.458 51.481 52.037 -0.163 0.000 0.754 219 A CB -0.744 18.123 19.000 -0.222 0.000 0.977 219 A HN 0.480 8.630 8.150 0.000 0.000 0.509 220 P HA 0.247 4.667 4.420 0.000 0.000 0.276 220 P C -2.244 174.938 177.300 -0.197 0.000 1.252 220 P CA -1.596 61.402 63.100 -0.170 0.000 0.802 220 P CB 0.063 31.680 31.700 -0.138 0.000 1.035 221 P HA -0.185 4.235 4.420 0.000 0.000 0.216 221 P C 1.060 178.302 177.300 -0.097 0.000 1.150 221 P CA 1.724 64.767 63.100 -0.095 0.000 0.843 221 P CB -0.105 31.563 31.700 -0.053 0.000 0.787 222 E N -0.182 119.960 120.200 -0.097 0.000 2.268 222 E HA 0.041 4.390 4.350 -0.001 0.000 0.195 222 E C 1.003 177.539 176.600 -0.107 0.000 0.995 222 E CA 0.421 56.790 56.400 -0.052 0.000 0.836 222 E CB -0.941 28.775 29.700 0.027 0.000 0.763 222 E HN 0.184 8.544 8.360 0.000 0.000 0.491 223 A N 2.857 125.475 122.820 -0.336 0.000 2.511 223 A HA 0.214 4.533 4.320 -0.001 0.000 0.242 223 A C -2.074 175.437 177.584 -0.122 0.000 1.069 223 A CA -1.224 50.544 52.037 -0.448 0.000 0.763 223 A CB -0.170 18.396 19.000 -0.723 0.000 1.001 223 A HN -0.036 8.114 8.150 0.000 0.000 0.498 224 P HA 0.050 4.470 4.420 0.000 0.000 0.272 224 P C 0.616 177.957 177.300 0.069 0.000 1.240 224 P CA -0.180 62.942 63.100 0.037 0.000 0.791 224 P CB 1.005 32.740 31.700 0.058 0.000 0.978 225 V N 0.372 120.322 119.914 0.060 0.000 3.647 225 V HA 0.016 4.135 4.120 -0.001 0.000 0.279 225 V C 0.276 176.449 176.094 0.133 0.000 1.314 225 V CA 0.615 62.958 62.300 0.071 0.000 1.125 225 V CB -0.855 30.909 31.823 -0.097 0.000 0.907 225 V HN 0.578 8.768 8.190 0.000 0.000 0.434 226 T N 0.683 115.307 114.554 0.117 0.000 2.928 226 T HA 0.442 4.791 4.350 -0.001 0.000 0.305 226 T C 1.243 175.954 174.700 0.017 0.000 1.035 226 T CA 0.528 62.687 62.100 0.098 0.000 1.145 226 T CB 0.813 69.713 68.868 0.054 0.000 0.963 226 T HN 0.853 9.093 8.240 0.000 0.000 0.545 227 G N 1.539 110.333 108.800 -0.011 0.000 2.213 227 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.226 227 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.226 227 G C -0.147 174.583 174.900 -0.285 0.000 0.992 227 G CA -0.572 44.430 45.100 -0.164 0.000 0.632 227 G HN 0.743 9.033 8.290 0.000 0.000 0.511 228 Y N 0.995 121.271 120.300 -0.039 0.000 2.593 228 Y HA 0.598 5.147 4.550 -0.001 0.000 0.331 228 Y C 1.877 177.828 175.900 0.085 0.000 0.986 228 Y CA -0.634 57.446 58.100 -0.033 0.000 1.262 228 Y CB 1.028 39.448 38.460 -0.067 0.000 1.098 228 Y HN 0.106 8.386 8.280 0.000 0.000 0.506 229 M N 1.325 121.053 119.600 0.214 0.000 2.195 229 M HA -0.196 4.283 4.480 -0.001 0.000 0.260 229 M C 0.037 176.167 176.300 -0.283 0.000 1.066 229 M CA 2.129 57.384 55.300 -0.074 0.000 1.089 229 M CB -0.044 32.380 32.600 -0.293 0.000 1.377 229 M HN 0.609 8.899 8.290 0.000 0.000 0.411 230 F N -0.074 120.164 119.950 0.480 0.000 2.850 230 F HA 0.476 5.002 4.527 -0.000 0.000 0.329 230 F C 0.903 176.942 175.800 0.399 0.000 1.182 230 F CA -0.173 58.056 58.000 0.383 0.000 1.270 230 F CB 0.009 39.146 39.000 0.229 0.000 0.979 230 F HN 0.195 8.495 8.300 0.000 0.000 0.506 231 G N 1.041 110.063 108.800 0.369 0.000 2.795 231 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.664 231 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.664 231 G C -0.548 174.436 174.900 0.139 0.000 1.381 231 G CA -1.209 43.980 45.100 0.148 0.000 0.853 231 G HN 0.216 8.506 8.290 0.000 0.000 0.545 232 K N 1.107 121.405 120.400 -0.170 0.000 2.336 232 K HA 0.495 4.814 4.320 -0.001 0.000 0.290 232 K C 0.911 177.512 176.600 0.001 0.000 1.067 232 K CA 0.728 56.769 56.287 -0.409 0.000 0.962 232 K CB 0.597 32.828 32.500 -0.449 0.000 1.008 232 K HN 1.098 9.348 8.250 0.000 0.000 0.467 233 G N 2.369 111.200 108.800 0.052 0.000 2.753 233 G HA2 0.472 4.431 3.960 -0.001 0.000 0.303 233 G HA3 0.472 4.431 3.960 -0.001 0.000 0.303 233 G C -1.202 173.725 174.900 0.045 0.000 1.242 233 G CA -0.845 44.210 45.100 -0.075 0.000 0.810 233 G HN 0.385 8.675 8.290 0.000 0.000 0.515 234 I N 0.870 121.387 120.570 -0.088 0.000 2.362 234 I HA 0.381 4.551 4.170 -0.001 0.000 0.289 234 I C -1.171 174.877 176.117 -0.114 0.000 0.994 234 I CA -0.642 60.608 61.300 -0.084 0.000 1.158 234 I CB 1.393 39.294 38.000 -0.166 0.000 1.315 234 I HN 0.238 8.448 8.210 0.000 0.000 0.451 235 Y N 5.781 125.890 120.300 -0.319 0.000 2.334 235 Y HA 0.598 5.147 4.550 -0.001 0.000 0.328 235 Y C -0.285 175.383 175.900 -0.386 0.000 1.130 235 Y CA -0.681 57.296 58.100 -0.205 0.000 1.163 235 Y CB 1.250 39.650 38.460 -0.100 0.000 1.207 235 Y HN 0.329 8.609 8.280 0.000 0.000 0.471 236 F N 0.327 120.443 119.950 0.276 0.000 2.629 236 F HA 0.822 5.349 4.527 -0.000 0.000 0.316 236 F C -0.236 175.767 175.800 0.338 0.000 1.081 236 F CA -1.173 57.001 58.000 0.291 0.000 0.954 236 F CB 1.753 40.885 39.000 0.219 0.000 1.337 236 F HN 0.478 8.778 8.300 0.000 0.000 0.474 237 A N 0.150 123.306 122.820 0.560 0.000 2.479 237 A HA 0.634 4.953 4.320 -0.001 0.000 0.296 237 A C -1.021 176.894 177.584 0.552 0.000 1.121 237 A CA -0.553 51.772 52.037 0.481 0.000 0.743 237 A CB 1.174 20.346 19.000 0.286 0.000 1.323 237 A HN 0.769 8.919 8.150 0.000 0.000 0.415 238 D N -0.672 120.047 120.400 0.532 0.000 2.440 238 D HA 0.240 4.880 4.640 -0.001 0.000 0.216 238 D C -0.258 176.372 176.300 0.550 0.000 1.150 238 D CA 0.261 54.599 54.000 0.563 0.000 0.832 238 D CB 0.078 41.175 40.800 0.495 0.000 0.992 238 D HN 0.333 8.703 8.370 0.000 0.000 0.502 239 M N 0.916 120.707 119.600 0.319 0.000 2.124 239 M HA 0.154 4.633 4.480 -0.001 0.000 0.280 239 M C 0.498 176.596 176.300 -0.337 0.000 0.954 239 M CA -0.727 54.593 55.300 0.032 0.000 0.958 239 M CB 3.047 35.609 32.600 -0.064 0.000 1.611 239 M HN -0.215 8.075 8.290 0.000 0.000 0.449 240 V N 2.368 121.853 119.914 -0.715 0.000 2.636 240 V HA -0.270 3.849 4.120 -0.001 0.000 0.258 240 V C 1.796 177.562 176.094 -0.547 0.000 1.092 240 V CA 2.881 64.497 62.300 -1.140 0.000 1.110 240 V CB -0.027 30.894 31.823 -1.504 0.000 0.685 240 V HN 0.983 9.173 8.190 0.000 0.000 0.481 241 S N -0.132 115.328 115.700 -0.401 0.000 2.383 241 S HA -0.199 4.271 4.470 -0.001 0.000 0.227 241 S C 1.902 176.307 174.600 -0.326 0.000 1.026 241 S CA 1.552 59.592 58.200 -0.267 0.000 0.981 241 S CB -0.357 62.654 63.200 -0.315 0.000 0.818 241 S HN 0.620 8.930 8.310 0.000 0.000 0.472 242 K N 2.108 122.154 120.400 -0.589 0.000 2.025 242 K HA 0.112 4.431 4.320 -0.001 0.000 0.207 242 K C 2.195 178.840 176.600 0.076 0.000 1.049 242 K CA 1.596 57.702 56.287 -0.302 0.000 0.933 242 K CB -0.759 31.558 32.500 -0.305 0.000 0.714 242 K HN 0.211 8.461 8.250 0.000 0.000 0.438 243 S N 0.286 116.004 115.700 0.030 0.000 2.357 243 S HA -0.024 4.445 4.470 -0.001 0.000 0.221 243 S C 1.986 176.702 174.600 0.194 0.000 1.031 243 S CA 0.993 59.295 58.200 0.169 0.000 0.982 243 S CB -0.520 62.734 63.200 0.089 0.000 0.853 243 S HN 0.511 8.821 8.310 0.000 0.000 0.458 244 A N 2.529 125.371 122.820 0.037 0.000 2.084 244 A HA -0.182 4.137 4.320 -0.001 0.000 0.221 244 A C 1.704 179.390 177.584 0.171 0.000 1.161 244 A CA 1.501 53.618 52.037 0.134 0.000 0.653 244 A CB -0.651 18.378 19.000 0.048 0.000 0.802 244 A HN 0.443 8.593 8.150 0.000 0.000 0.457 245 N N -1.341 117.407 118.700 0.081 0.000 2.453 245 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 245 N C 0.514 175.885 175.510 -0.232 0.000 1.041 245 N CA 1.034 54.019 53.050 -0.108 0.000 0.900 245 N CB -0.385 37.962 38.487 -0.233 0.000 0.961 245 N HN 0.724 9.104 8.380 0.000 0.000 0.443 246 Y N -1.048 119.314 120.300 0.104 0.000 2.457 246 Y HA 0.171 4.720 4.550 -0.002 0.000 0.263 246 Y C 1.738 177.756 175.900 0.196 0.000 1.164 246 Y CA -0.323 57.878 58.100 0.167 0.000 1.274 246 Y CB -0.032 38.443 38.460 0.025 0.000 1.097 246 Y HN 0.034 8.314 8.280 0.000 0.000 0.523 247 C N -1.283 118.150 119.300 0.222 0.000 2.539 247 C HA 0.010 4.469 4.460 -0.001 0.000 0.268 247 C C 0.326 175.358 174.990 0.071 0.000 1.395 247 C CA 0.126 59.223 59.018 0.131 0.000 1.757 247 C CB -1.632 26.136 27.740 0.045 0.000 1.851 247 C HN 0.606 8.836 8.230 0.000 0.000 0.545 248 H N 1.836 120.827 119.070 -0.130 0.000 2.496 248 H HA -0.140 4.415 4.556 -0.001 0.000 0.323 248 H C 0.684 175.885 175.328 -0.213 0.000 1.054 248 H CA 1.060 57.020 56.048 -0.147 0.000 1.095 248 H CB -1.368 28.350 29.762 -0.075 0.000 1.595 248 H HN 0.652 8.932 8.280 0.000 0.000 0.388 249 T N -2.200 112.149 114.554 -0.342 0.000 2.923 249 T HA 0.819 5.168 4.350 -0.001 0.000 0.281 249 T C 0.557 175.151 174.700 -0.177 0.000 0.995 249 T CA -0.269 61.625 62.100 -0.345 0.000 0.985 249 T CB 2.854 71.250 68.868 -0.788 0.000 1.114 249 T HN 0.643 8.883 8.240 0.000 0.000 0.548 250 S N -0.517 115.129 115.700 -0.091 0.000 2.636 250 S HA 0.298 4.768 4.470 -0.001 0.000 0.268 250 S C 0.659 175.171 174.600 -0.146 0.000 1.159 250 S CA -0.743 57.285 58.200 -0.287 0.000 0.815 250 S CB 1.461 64.502 63.200 -0.264 0.000 1.130 250 S HN 0.718 9.028 8.310 0.000 0.000 0.471 251 Q N 0.698 120.267 119.800 -0.384 0.000 2.248 251 Q HA 0.034 4.373 4.340 -0.001 0.000 0.208 251 Q C 1.829 177.821 176.000 -0.013 0.000 0.984 251 Q CA 2.563 58.314 55.803 -0.087 0.000 0.875 251 Q CB -1.038 27.615 28.738 -0.142 0.000 0.910 251 Q HN 0.904 9.174 8.270 0.000 0.000 0.433 252 G N -0.543 108.220 108.800 -0.062 0.000 2.434 252 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.214 252 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.214 252 G C 0.061 174.955 174.900 -0.010 0.000 1.202 252 G CA 0.722 45.800 45.100 -0.037 0.000 0.788 252 G HN 0.351 8.641 8.290 0.000 0.000 0.539 253 D N -0.250 120.141 120.400 -0.016 0.000 2.420 253 D HA 0.331 4.971 4.640 -0.001 0.000 0.255 253 D C -1.884 174.425 176.300 0.016 0.000 1.185 253 D CA -2.184 51.815 54.000 -0.003 0.000 0.904 253 D CB 2.066 42.851 40.800 -0.025 0.000 1.102 253 D HN 0.051 8.421 8.370 0.000 0.000 0.534 254 P HA 0.126 4.546 4.420 0.000 0.000 0.249 254 P C 0.632 177.997 177.300 0.110 0.000 1.229 254 P CA -0.084 63.106 63.100 0.151 0.000 0.788 254 P CB 0.089 31.909 31.700 0.201 0.000 1.072 255 I N -1.327 119.277 120.570 0.057 0.000 2.392 255 I HA 0.774 4.943 4.170 -0.001 0.000 0.295 255 I C -0.434 175.700 176.117 0.028 0.000 0.985 255 I CA -0.681 60.669 61.300 0.082 0.000 1.221 255 I CB 1.797 39.829 38.000 0.054 0.000 1.366 255 I HN -0.166 8.044 8.210 0.000 0.000 0.467 256 G N 6.649 115.516 108.800 0.112 0.000 2.733 256 G HA2 0.677 4.636 3.960 -0.001 0.000 0.288 256 G HA3 0.677 4.636 3.960 -0.001 0.000 0.288 256 G C -1.643 173.277 174.900 0.034 0.000 1.373 256 G CA -0.960 44.175 45.100 0.059 0.000 0.895 256 G HN 0.661 8.951 8.290 0.000 0.000 0.479 257 L N 0.163 121.348 121.223 -0.064 0.000 2.362 257 L HA 0.730 5.069 4.340 -0.001 0.000 0.271 257 L C -0.776 176.120 176.870 0.043 0.000 1.002 257 L CA -0.851 53.845 54.840 -0.239 0.000 0.818 257 L CB 2.239 43.681 42.059 -1.028 0.000 1.298 257 L HN 0.482 8.712 8.230 0.000 0.000 0.420 258 I N 2.259 122.931 120.570 0.170 0.000 2.722 258 I HA 0.458 4.627 4.170 -0.001 0.000 0.295 258 I C -1.363 175.033 176.117 0.466 0.000 1.161 258 I CA -0.401 61.127 61.300 0.380 0.000 1.032 258 I CB 2.135 40.306 38.000 0.285 0.000 1.244 258 I HN 0.466 8.676 8.210 0.000 0.000 0.421 259 L N 6.623 128.169 121.223 0.538 0.000 2.352 259 L HA 0.577 4.916 4.340 -0.001 0.000 0.269 259 L C -0.998 176.091 176.870 0.366 0.000 1.034 259 L CA -0.785 54.321 54.840 0.444 0.000 0.806 259 L CB 1.633 43.931 42.059 0.399 0.000 1.244 259 L HN 0.452 8.682 8.230 0.000 0.000 0.447 260 L N 1.015 122.356 121.223 0.198 0.000 2.404 260 L HA 0.660 4.999 4.340 -0.001 0.000 0.272 260 L C -0.270 176.608 176.870 0.012 0.000 0.980 260 L CA -0.288 54.541 54.840 -0.018 0.000 0.836 260 L CB 1.786 43.787 42.059 -0.096 0.000 1.238 260 L HN 0.697 8.927 8.230 0.000 0.000 0.408 261 G N 1.791 110.549 108.800 -0.069 0.000 2.519 261 G HA2 0.456 4.415 3.960 -0.001 0.000 0.307 261 G HA3 0.456 4.415 3.960 -0.001 0.000 0.307 261 G C -1.428 173.278 174.900 -0.324 0.000 1.266 261 G CA -0.381 44.613 45.100 -0.176 0.000 0.970 261 G HN 0.557 8.847 8.290 0.000 0.000 0.481 262 E N 0.320 120.312 120.200 -0.348 0.000 2.146 262 E HA 0.430 4.780 4.350 -0.001 0.000 0.282 262 E C -0.827 175.522 176.600 -0.418 0.000 0.989 262 E CA -0.714 55.482 56.400 -0.341 0.000 0.799 262 E CB 1.690 31.224 29.700 -0.278 0.000 1.088 262 E HN 0.403 8.763 8.360 0.000 0.000 0.397 263 V N 3.128 122.815 119.914 -0.379 0.000 2.448 263 V HA 0.699 4.819 4.120 -0.001 0.000 0.295 263 V C -0.400 175.641 176.094 -0.088 0.000 1.025 263 V CA -0.356 61.763 62.300 -0.301 0.000 0.859 263 V CB 1.173 32.656 31.823 -0.566 0.000 0.988 263 V HN 0.790 8.980 8.190 0.000 0.000 0.431 264 A N 6.485 129.373 122.820 0.113 0.000 2.671 264 A HA 0.480 4.800 4.320 -0.001 0.000 0.306 264 A C 0.845 178.432 177.584 0.006 0.000 1.473 264 A CA -0.282 51.802 52.037 0.078 0.000 1.155 264 A CB -0.276 18.785 19.000 0.101 0.000 1.123 264 A HN 1.070 9.220 8.150 0.000 0.000 0.545 265 L N 2.614 123.806 121.223 -0.052 0.000 2.109 265 L HA 0.121 4.460 4.340 -0.001 0.000 0.207 265 L C 1.904 178.767 176.870 -0.011 0.000 1.086 265 L CA 1.073 55.900 54.840 -0.022 0.000 0.760 265 L CB -0.894 41.144 42.059 -0.036 0.000 0.910 265 L HN 0.963 9.193 8.230 0.000 0.000 0.437 266 G N 0.149 108.847 108.800 -0.170 0.000 2.539 266 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.256 266 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.256 266 G C -0.220 174.554 174.900 -0.211 0.000 1.233 266 G CA -0.300 44.645 45.100 -0.258 0.000 0.936 266 G HN 0.269 8.559 8.290 0.000 0.000 0.571 267 N N 1.153 119.897 118.700 0.073 0.000 2.458 267 N HA 0.429 5.169 4.740 -0.001 0.000 0.270 267 N C 0.337 175.921 175.510 0.122 0.000 1.102 267 N CA 0.206 53.342 53.050 0.144 0.000 0.967 267 N CB 0.755 39.359 38.487 0.194 0.000 1.078 267 N HN 0.473 8.853 8.380 0.000 0.000 0.471 268 M N 2.290 121.968 119.600 0.131 0.000 2.188 268 M HA 0.145 4.624 4.480 -0.001 0.000 0.357 268 M C -0.407 176.002 176.300 0.182 0.000 1.204 268 M CA -0.671 54.716 55.300 0.144 0.000 1.095 268 M CB 0.809 33.492 32.600 0.137 0.000 1.604 268 M HN 0.342 8.632 8.290 0.000 0.000 0.464 269 Y N 3.848 124.159 120.300 0.018 0.000 2.452 269 Y HA 0.243 4.792 4.550 -0.001 0.000 0.348 269 Y C -0.454 175.431 175.900 -0.025 0.000 0.985 269 Y CA -0.953 57.149 58.100 0.003 0.000 1.214 269 Y CB 0.230 38.695 38.460 0.008 0.000 1.136 269 Y HN 0.611 8.891 8.280 0.000 0.000 0.523 270 E N 7.029 127.217 120.200 -0.019 0.000 2.227 270 E HA 0.557 4.906 4.350 -0.001 0.000 0.282 270 E C -1.124 175.310 176.600 -0.277 0.000 1.015 270 E CA -0.540 55.767 56.400 -0.156 0.000 0.823 270 E CB 1.595 31.262 29.700 -0.055 0.000 1.081 270 E HN 0.576 8.936 8.360 0.000 0.000 0.396 271 L N 2.086 123.148 121.223 -0.269 0.000 2.424 271 L HA 0.371 4.711 4.340 -0.001 0.000 0.258 271 L C 0.325 177.137 176.870 -0.096 0.000 0.995 271 L CA -0.822 53.908 54.840 -0.183 0.000 0.821 271 L CB 1.887 43.884 42.059 -0.103 0.000 1.383 271 L HN 0.445 8.675 8.230 0.000 0.000 0.410 272 K N -0.626 119.679 120.400 -0.159 0.000 2.360 272 K HA 0.312 4.631 4.320 -0.001 0.000 0.196 272 K C -0.200 176.219 176.600 -0.303 0.000 1.049 272 K CA -0.042 56.083 56.287 -0.270 0.000 1.049 272 K CB 0.414 32.648 32.500 -0.444 0.000 0.881 272 K HN 0.382 8.632 8.250 0.000 0.000 0.542 273 H N -0.090 119.057 119.070 0.129 0.000 2.928 273 H HA 0.427 4.983 4.556 -0.001 0.000 0.371 273 H C -0.627 174.692 175.328 -0.014 0.000 1.186 273 H CA -1.645 54.439 56.048 0.060 0.000 1.134 273 H CB 1.323 31.093 29.762 0.013 0.000 1.824 273 H HN 0.070 8.350 8.280 0.000 0.000 0.554 274 A N 1.240 124.019 122.820 -0.068 0.000 2.561 274 A HA 0.345 4.665 4.320 -0.001 0.000 0.234 274 A C 0.419 177.889 177.584 -0.191 0.000 1.055 274 A CA 0.833 52.638 52.037 -0.388 0.000 0.756 274 A CB -0.028 18.815 19.000 -0.261 0.000 0.986 274 A HN 0.559 8.709 8.150 0.000 0.000 0.505 275 S N 1.178 116.777 115.700 -0.168 0.000 2.584 275 S HA 0.397 4.866 4.470 -0.001 0.000 0.280 275 S C -1.315 173.425 174.600 0.234 0.000 1.162 275 S CA -0.766 57.452 58.200 0.030 0.000 0.951 275 S CB 0.341 63.620 63.200 0.133 0.000 1.108 275 S HN 0.699 9.009 8.310 0.000 0.000 0.464 276 H N 5.472 124.585 119.070 0.073 0.000 3.118 276 H HA 0.332 4.888 4.556 -0.001 0.000 0.266 276 H C 1.040 176.424 175.328 0.093 0.000 1.465 276 H CA -0.391 55.716 56.048 0.098 0.000 1.460 276 H CB -0.655 29.147 29.762 0.067 0.000 1.661 276 H HN 0.512 8.792 8.280 0.000 0.000 0.516 277 I N 0.814 121.529 120.570 0.243 0.000 2.209 277 I HA -0.271 3.899 4.170 -0.001 0.000 0.220 277 I C 1.581 177.668 176.117 -0.050 0.000 1.056 277 I CA 1.335 62.701 61.300 0.109 0.000 1.354 277 I CB -0.296 37.773 38.000 0.116 0.000 1.145 277 I HN 0.580 8.790 8.210 0.000 0.000 0.396 278 S N -1.363 114.156 115.700 -0.301 0.000 1.356 278 S HA -0.174 4.296 4.470 -0.001 0.000 0.247 278 S C 0.319 174.689 174.600 -0.384 0.000 0.644 278 S CA 1.253 59.220 58.200 -0.388 0.000 1.137 278 S CB -1.495 61.627 63.200 -0.130 0.000 1.260 278 S HN 0.505 8.815 8.310 0.000 0.000 0.500 279 K N 2.865 123.144 120.400 -0.202 0.000 2.257 279 K HA 0.598 4.918 4.320 -0.001 0.000 0.270 279 K C -0.578 175.938 176.600 -0.140 0.000 1.098 279 K CA -0.528 55.672 56.287 -0.144 0.000 0.943 279 K CB 0.605 33.057 32.500 -0.079 0.000 1.316 279 K HN 0.247 8.497 8.250 0.000 0.000 0.447 280 L N 3.478 124.601 121.223 -0.166 0.000 2.483 280 L HA 0.210 4.549 4.340 -0.001 0.000 0.275 280 L C -1.844 174.903 176.870 -0.204 0.000 1.220 280 L CA -1.767 52.983 54.840 -0.150 0.000 0.833 280 L CB -0.741 41.255 42.059 -0.104 0.000 1.102 280 L HN 0.448 8.678 8.230 0.000 0.000 0.490 281 P HA 0.115 4.535 4.420 0.000 0.000 0.272 281 P C -0.739 176.412 177.300 -0.249 0.000 1.230 281 P CA -0.610 62.292 63.100 -0.330 0.000 0.788 281 P CB 0.408 31.777 31.700 -0.552 0.000 0.949 282 K N 1.310 121.603 120.400 -0.179 0.000 2.511 282 K HA 0.279 4.598 4.320 -0.001 0.000 0.280 282 K C 1.460 177.967 176.600 -0.155 0.000 1.008 282 K CA 1.698 57.900 56.287 -0.142 0.000 1.050 282 K CB -0.977 31.469 32.500 -0.089 0.000 0.889 282 K HN 0.741 8.991 8.250 0.000 0.000 0.484 283 G N 2.510 111.200 108.800 -0.184 0.000 2.258 283 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.233 283 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.233 283 G C -0.245 174.485 174.900 -0.283 0.000 1.006 283 G CA -0.142 44.869 45.100 -0.149 0.000 0.620 283 G HN 0.449 8.739 8.290 0.000 0.000 0.511 284 K N 0.793 120.984 120.400 -0.348 0.000 2.143 284 K HA 0.587 4.906 4.320 -0.001 0.000 0.272 284 K C 0.058 176.369 176.600 -0.480 0.000 1.001 284 K CA -0.487 55.635 56.287 -0.274 0.000 0.915 284 K CB 0.934 33.343 32.500 -0.150 0.000 1.047 284 K HN 0.469 8.719 8.250 0.000 0.000 0.458 285 H N -0.666 118.450 119.070 0.077 0.000 2.767 285 H HA 0.149 4.705 4.556 -0.001 0.000 0.260 285 H C -0.032 175.381 175.328 0.142 0.000 1.172 285 H CA -0.171 55.939 56.048 0.104 0.000 1.048 285 H CB 0.824 30.634 29.762 0.080 0.000 1.697 285 H HN 0.713 8.993 8.280 0.000 0.000 0.606 286 S N -0.578 115.255 115.700 0.221 0.000 2.633 286 S HA 0.379 4.848 4.470 -0.001 0.000 0.271 286 S C -1.400 173.327 174.600 0.211 0.000 1.112 286 S CA -0.783 57.550 58.200 0.222 0.000 0.828 286 S CB 1.886 65.181 63.200 0.159 0.000 1.086 286 S HN -0.093 8.217 8.310 0.000 0.000 0.461 287 V N 1.515 121.521 119.914 0.154 0.000 2.628 287 V HA 0.766 4.885 4.120 -0.001 0.000 0.306 287 V C -0.359 175.636 176.094 -0.166 0.000 1.045 287 V CA -0.617 61.690 62.300 0.012 0.000 0.905 287 V CB 1.854 33.660 31.823 -0.027 0.000 0.997 287 V HN 1.037 9.227 8.190 0.000 0.000 0.436 288 K N 2.962 123.210 120.400 -0.254 0.000 2.450 288 K HA 0.661 4.981 4.320 -0.001 0.000 0.257 288 K C -0.089 176.220 176.600 -0.484 0.000 0.953 288 K CA -0.367 55.693 56.287 -0.378 0.000 0.844 288 K CB 1.487 33.851 32.500 -0.226 0.000 1.103 288 K HN 0.836 9.086 8.250 0.000 0.000 0.429 289 G N 5.087 113.538 108.800 -0.582 0.000 2.338 289 G HA2 0.311 4.270 3.960 -0.001 0.000 0.295 289 G HA3 0.311 4.270 3.960 -0.001 0.000 0.295 289 G C -0.341 174.450 174.900 -0.183 0.000 1.132 289 G CA -0.700 44.169 45.100 -0.384 0.000 0.922 289 G HN 0.583 8.873 8.290 0.000 0.000 0.427 290 L N 3.016 124.173 121.223 -0.111 0.000 2.361 290 L HA 0.417 4.756 4.340 -0.001 0.000 0.278 290 L C 1.208 178.072 176.870 -0.009 0.000 1.113 290 L CA -0.400 54.399 54.840 -0.069 0.000 0.849 290 L CB 0.786 42.804 42.059 -0.068 0.000 1.155 290 L HN 0.558 8.788 8.230 0.000 0.000 0.452 291 G N 2.198 111.006 108.800 0.013 0.000 2.521 291 G HA2 0.356 4.315 3.960 -0.001 0.000 0.323 291 G HA3 0.356 4.315 3.960 -0.001 0.000 0.323 291 G C 0.378 175.284 174.900 0.011 0.000 1.211 291 G CA -0.570 44.551 45.100 0.035 0.000 0.979 291 G HN 0.666 8.956 8.290 0.000 0.000 0.490 292 K N -1.000 119.390 120.400 -0.017 0.000 2.228 292 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 292 K C 0.619 177.207 176.600 -0.019 0.000 1.051 292 K CA 0.888 57.162 56.287 -0.022 0.000 0.960 292 K CB 0.086 32.565 32.500 -0.036 0.000 0.743 292 K HN 0.385 8.635 8.250 0.000 0.000 0.458 293 T N 0.193 114.723 114.554 -0.041 0.000 2.895 293 T HA 0.330 4.680 4.350 -0.001 0.000 0.283 293 T C -0.387 174.374 174.700 0.103 0.000 1.014 293 T CA -0.561 61.545 62.100 0.009 0.000 1.037 293 T CB 2.081 70.913 68.868 -0.060 0.000 1.006 293 T HN -0.095 8.145 8.240 0.000 0.000 0.468 294 T N 2.306 116.932 114.554 0.121 0.000 2.889 294 T HA 0.545 4.894 4.350 -0.001 0.000 0.315 294 T C -2.992 171.798 174.700 0.149 0.000 1.291 294 T CA -1.701 60.489 62.100 0.150 0.000 1.028 294 T CB 1.652 70.588 68.868 0.113 0.000 1.235 294 T HN 0.203 8.443 8.240 0.000 0.000 0.491 295 P HA 0.255 4.675 4.420 0.000 0.000 0.279 295 P C -0.775 176.588 177.300 0.106 0.000 1.239 295 P CA -0.406 62.784 63.100 0.151 0.000 0.789 295 P CB 0.372 32.182 31.700 0.183 0.000 0.933 296 D N 4.308 124.759 120.400 0.084 0.000 2.570 296 D HA -0.063 4.576 4.640 -0.001 0.000 0.243 296 D C -1.278 175.052 176.300 0.050 0.000 1.171 296 D CA -0.839 53.197 54.000 0.060 0.000 0.879 296 D CB 0.370 41.200 40.800 0.049 0.000 1.143 296 D HN 0.176 8.546 8.370 0.000 0.000 0.511 297 P HA -0.155 4.265 4.420 0.000 0.000 0.218 297 P C 1.428 178.743 177.300 0.025 0.000 1.148 297 P CA 1.174 64.297 63.100 0.039 0.000 0.822 297 P CB 0.098 31.822 31.700 0.041 0.000 0.784 298 S N -0.309 115.405 115.700 0.023 0.000 2.399 298 S HA -0.105 4.364 4.470 -0.001 0.000 0.231 298 S C 1.998 176.603 174.600 0.009 0.000 1.022 298 S CA 1.170 59.379 58.200 0.015 0.000 0.983 298 S CB -1.372 61.837 63.200 0.016 0.000 0.803 298 S HN 0.124 8.434 8.310 0.000 0.000 0.480 299 A N 1.512 124.339 122.820 0.011 0.000 2.238 299 A HA 0.238 4.558 4.320 -0.001 0.000 0.208 299 A C 0.698 178.271 177.584 -0.017 0.000 1.177 299 A CA -0.362 51.676 52.037 0.002 0.000 0.804 299 A CB -0.816 18.192 19.000 0.013 0.000 0.823 299 A HN 0.667 8.817 8.150 0.000 0.000 0.482 300 N N -0.462 118.228 118.700 -0.018 0.000 2.353 300 N HA 0.264 5.004 4.740 -0.001 0.000 0.248 300 N C -0.692 174.787 175.510 -0.051 0.000 1.240 300 N CA 0.239 53.264 53.050 -0.043 0.000 0.862 300 N CB 0.423 38.895 38.487 -0.026 0.000 1.086 300 N HN 0.271 8.651 8.380 0.000 0.000 0.453 301 I N 0.182 120.704 120.570 -0.081 0.000 3.206 301 I HA 0.378 4.547 4.170 -0.001 0.000 0.313 301 I C -0.136 175.937 176.117 -0.072 0.000 1.103 301 I CA -0.260 60.998 61.300 -0.071 0.000 0.985 301 I CB 2.217 40.169 38.000 -0.079 0.000 1.240 301 I HN 0.436 8.646 8.210 0.000 0.000 0.464 302 S N 2.188 117.855 115.700 -0.055 0.000 2.810 302 S HA 0.819 5.288 4.470 -0.001 0.000 0.315 302 S C -1.574 173.003 174.600 -0.038 0.000 1.138 302 S CA -0.621 57.551 58.200 -0.046 0.000 0.889 302 S CB 2.120 65.302 63.200 -0.028 0.000 1.236 302 S HN 0.623 8.933 8.310 0.000 0.000 0.548 303 L N 2.149 123.356 121.223 -0.026 0.000 4.058 303 L HA 0.190 4.529 4.340 -0.001 0.000 0.252 303 L C -1.487 175.380 176.870 -0.005 0.000 1.030 303 L CA 0.020 54.852 54.840 -0.013 0.000 1.351 303 L CB 0.382 42.433 42.059 -0.012 0.000 1.996 303 L HN 0.894 9.124 8.230 0.000 0.000 0.692 304 D N 3.815 124.215 120.400 0.000 0.000 2.686 304 D HA -0.175 4.464 4.640 -0.001 0.000 0.235 304 D C 1.243 177.548 176.300 0.007 0.000 1.160 304 D CA 2.260 56.263 54.000 0.006 0.000 0.645 304 D CB -0.557 40.250 40.800 0.012 0.000 1.039 304 D HN 1.469 9.839 8.370 0.000 0.000 0.423 305 G N -1.603 107.198 108.800 0.002 0.000 2.184 305 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.264 305 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.264 305 G C 0.398 175.297 174.900 -0.001 0.000 0.975 305 G CA 0.360 45.464 45.100 0.005 0.000 0.642 305 G HN 0.700 8.990 8.290 0.000 0.000 0.536 306 V N 1.247 121.154 119.914 -0.012 0.000 2.364 306 V HA 0.478 4.597 4.120 -0.001 0.000 0.272 306 V C 0.284 176.343 176.094 -0.058 0.000 1.036 306 V CA -0.395 61.884 62.300 -0.034 0.000 0.880 306 V CB 1.536 33.339 31.823 -0.033 0.000 0.991 306 V HN 0.400 8.590 8.190 0.000 0.000 0.460 307 D N 4.498 124.854 120.400 -0.073 0.000 2.351 307 D HA 0.333 4.972 4.640 -0.001 0.000 0.251 307 D C -0.471 175.742 176.300 -0.146 0.000 1.137 307 D CA -0.011 53.935 54.000 -0.090 0.000 0.879 307 D CB 1.432 42.190 40.800 -0.071 0.000 1.181 307 D HN 0.302 8.672 8.370 0.000 0.000 0.448 308 V N 6.597 126.400 119.914 -0.184 0.000 2.305 308 V HA 0.321 4.440 4.120 -0.001 0.000 0.275 308 V C -2.025 173.844 176.094 -0.375 0.000 1.020 308 V CA -1.414 60.684 62.300 -0.338 0.000 0.811 308 V CB 1.237 32.853 31.823 -0.345 0.000 1.031 308 V HN 0.593 8.783 8.190 0.000 0.000 0.439 309 P HA 0.122 4.542 4.420 0.000 0.000 0.230 309 P C 0.368 177.546 177.300 -0.204 0.000 1.791 309 P CA -0.203 62.799 63.100 -0.164 0.000 1.020 309 P CB 0.251 31.956 31.700 0.009 0.000 1.977 310 L N -1.201 119.846 121.223 -0.293 0.000 2.629 310 L HA 0.417 4.756 4.340 -0.001 0.000 0.230 310 L C 1.053 177.952 176.870 0.049 0.000 1.151 310 L CA -0.400 54.364 54.840 -0.128 0.000 0.924 310 L CB -1.221 40.727 42.059 -0.184 0.000 1.137 310 L HN -0.025 8.205 8.230 0.000 0.000 0.457 311 G N -0.198 108.626 108.800 0.039 0.000 2.554 311 G HA2 0.233 4.193 3.960 -0.001 0.000 0.238 311 G HA3 0.233 4.193 3.960 -0.001 0.000 0.238 311 G C -0.094 174.866 174.900 0.100 0.000 1.259 311 G CA -0.135 45.001 45.100 0.060 0.000 0.843 311 G HN 0.146 8.436 8.290 0.000 0.000 0.582 312 T N 0.317 114.921 114.554 0.084 0.000 2.926 312 T HA 0.401 4.751 4.350 -0.001 0.000 0.307 312 T C 1.221 175.979 174.700 0.096 0.000 1.059 312 T CA 0.542 62.696 62.100 0.090 0.000 1.122 312 T CB 0.214 69.121 68.868 0.065 0.000 0.972 312 T HN 0.772 9.012 8.240 0.000 0.000 0.545 313 G N 3.623 112.487 108.800 0.108 0.000 2.340 313 G HA2 0.468 4.427 3.960 -0.001 0.000 0.245 313 G HA3 0.468 4.427 3.960 -0.001 0.000 0.245 313 G C -0.137 174.814 174.900 0.085 0.000 1.294 313 G CA -0.255 44.915 45.100 0.116 0.000 0.896 313 G HN 0.887 9.177 8.290 0.000 0.000 0.522 314 I N -0.842 119.776 120.570 0.080 0.000 3.264 314 I HA 0.700 4.870 4.170 -0.001 0.000 0.315 314 I C 0.028 176.175 176.117 0.049 0.000 1.154 314 I CA -1.302 60.032 61.300 0.056 0.000 0.962 314 I CB 2.090 40.120 38.000 0.050 0.000 1.265 314 I HN 0.406 8.616 8.210 0.000 0.000 0.463 315 S N 1.830 117.551 115.700 0.034 0.000 2.528 315 S HA 0.375 4.844 4.470 -0.001 0.000 0.277 315 S C 0.210 174.827 174.600 0.029 0.000 1.297 315 S CA -0.153 58.062 58.200 0.024 0.000 1.052 315 S CB 0.150 63.359 63.200 0.016 0.000 0.917 315 S HN 0.861 9.171 8.310 0.000 0.000 0.492 316 S N 4.100 119.816 115.700 0.027 0.000 2.661 316 S HA 0.505 4.974 4.470 -0.001 0.000 0.265 316 S C 1.603 176.215 174.600 0.021 0.000 1.225 316 S CA -0.308 57.909 58.200 0.029 0.000 0.986 316 S CB 0.228 63.446 63.200 0.030 0.000 1.008 316 S HN 0.907 9.217 8.310 0.000 0.000 0.565 317 G N 0.140 108.952 108.800 0.020 0.000 2.511 317 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.216 317 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.216 317 G C 0.643 175.550 174.900 0.011 0.000 1.218 317 G CA 1.207 46.316 45.100 0.016 0.000 0.788 317 G HN 1.359 9.649 8.290 0.000 0.000 0.560 318 V N -0.566 119.352 119.914 0.006 0.000 2.607 318 V HA 0.571 4.691 4.120 -0.001 0.000 0.289 318 V C 0.224 176.319 176.094 0.003 0.000 1.053 318 V CA -0.108 62.193 62.300 0.002 0.000 0.996 318 V CB 1.542 33.359 31.823 -0.010 0.000 0.995 318 V HN 0.492 8.682 8.190 0.000 0.000 0.476 319 N N 0.570 119.275 118.700 0.008 0.000 2.143 319 N HA 0.062 4.802 4.740 -0.001 0.000 0.222 319 N C 0.469 175.994 175.510 0.025 0.000 1.264 319 N CA 0.131 53.188 53.050 0.012 0.000 0.897 319 N CB 0.108 38.601 38.487 0.010 0.000 1.092 319 N HN 0.778 9.158 8.380 0.000 0.000 0.516 320 D N 0.328 120.744 120.400 0.027 0.000 2.395 320 D HA -0.059 4.580 4.640 -0.001 0.000 0.250 320 D C -0.063 176.286 176.300 0.081 0.000 1.203 320 D CA 0.291 54.325 54.000 0.056 0.000 0.872 320 D CB -0.050 40.776 40.800 0.044 0.000 0.941 320 D HN 0.248 8.618 8.370 0.000 0.000 0.504 321 T N -0.595 113.993 114.554 0.056 0.000 2.945 321 T HA 0.258 4.607 4.350 -0.001 0.000 0.286 321 T C 0.928 175.718 174.700 0.151 0.000 1.025 321 T CA -0.684 61.446 62.100 0.049 0.000 1.039 321 T CB 1.772 70.632 68.868 -0.013 0.000 1.068 321 T HN -0.027 8.213 8.240 0.000 0.000 0.497 322 S N 2.696 118.538 115.700 0.236 0.000 2.660 322 S HA 0.334 4.803 4.470 -0.001 0.000 0.227 322 S C -0.213 174.472 174.600 0.142 0.000 0.948 322 S CA -0.550 57.766 58.200 0.194 0.000 0.948 322 S CB -0.400 62.941 63.200 0.234 0.000 0.779 322 S HN 0.425 8.735 8.310 0.000 0.000 0.487 323 L N 1.758 123.053 121.223 0.120 0.000 2.362 323 L HA 0.511 4.850 4.340 -0.001 0.000 0.275 323 L C 0.551 177.451 176.870 0.050 0.000 0.998 323 L CA -0.717 54.194 54.840 0.118 0.000 0.820 323 L CB 1.513 43.664 42.059 0.154 0.000 1.270 323 L HN 0.126 8.356 8.230 0.000 0.000 0.415 324 L N 3.630 124.862 121.223 0.015 0.000 2.179 324 L HA 0.184 4.524 4.340 -0.001 0.000 0.208 324 L C -0.362 176.309 176.870 -0.332 0.000 1.096 324 L CA 1.544 56.280 54.840 -0.174 0.000 0.779 324 L CB -0.225 41.690 42.059 -0.240 0.000 0.922 324 L HN 0.464 8.694 8.230 0.000 0.000 0.443 325 Y N -1.095 119.257 120.300 0.087 0.000 2.633 325 Y HA 0.437 4.986 4.550 -0.002 0.000 0.339 325 Y C 0.343 176.283 175.900 0.066 0.000 1.045 325 Y CA -1.563 56.581 58.100 0.073 0.000 1.098 325 Y CB 0.619 39.125 38.460 0.078 0.000 1.296 325 Y HN -0.172 8.108 8.280 0.000 0.000 0.494 326 N N 1.839 120.681 118.700 0.237 0.000 2.513 326 N HA 0.261 5.001 4.740 -0.001 0.000 0.274 326 N C -1.032 174.485 175.510 0.013 0.000 1.189 326 N CA -0.337 52.728 53.050 0.025 0.000 0.975 326 N CB 0.732 39.184 38.487 -0.058 0.000 1.157 326 N HN 0.646 9.026 8.380 0.000 0.000 0.465 327 E N 0.512 120.598 120.200 -0.190 0.000 2.356 327 E HA 0.393 4.742 4.350 -0.001 0.000 0.275 327 E C -1.401 174.967 176.600 -0.386 0.000 0.904 327 E CA -0.742 55.606 56.400 -0.088 0.000 0.757 327 E CB 1.379 31.157 29.700 0.128 0.000 1.232 327 E HN 0.387 8.747 8.360 0.000 0.000 0.442 328 Y N 0.955 121.269 120.300 0.023 0.000 2.376 328 Y HA 0.488 5.038 4.550 -0.001 0.000 0.340 328 Y C -0.538 175.301 175.900 -0.102 0.000 0.965 328 Y CA -0.989 57.093 58.100 -0.029 0.000 1.078 328 Y CB 1.471 39.974 38.460 0.071 0.000 1.193 328 Y HN 0.401 8.681 8.280 0.000 0.000 0.452 329 I N 4.167 124.656 120.570 -0.135 0.000 2.465 329 I HA 0.576 4.746 4.170 -0.001 0.000 0.291 329 I C -0.615 175.299 176.117 -0.338 0.000 1.014 329 I CA -0.930 60.136 61.300 -0.390 0.000 1.093 329 I CB 1.817 39.387 38.000 -0.717 0.000 1.267 329 I HN 0.381 8.591 8.210 0.000 0.000 0.431 330 V N 2.769 122.472 119.914 -0.353 0.000 2.715 330 V HA 0.513 4.633 4.120 -0.001 0.000 0.310 330 V C -0.745 175.045 176.094 -0.507 0.000 1.054 330 V CA -0.395 61.749 62.300 -0.260 0.000 0.928 330 V CB 1.596 33.414 31.823 -0.008 0.000 1.007 330 V HN 0.666 8.856 8.190 0.000 0.000 0.437 331 Y N 0.797 121.126 120.300 0.049 0.000 2.555 331 Y HA 0.514 5.064 4.550 -0.001 0.000 0.259 331 Y C 0.526 176.435 175.900 0.014 0.000 1.179 331 Y CA -0.479 57.640 58.100 0.031 0.000 1.230 331 Y CB 0.577 39.060 38.460 0.039 0.000 1.146 331 Y HN 0.741 9.021 8.280 0.000 0.000 0.526 332 D N 0.874 121.306 120.400 0.054 0.000 2.620 332 D HA 0.186 4.825 4.640 -0.001 0.000 0.252 332 D C 1.084 177.306 176.300 -0.129 0.000 1.207 332 D CA -0.332 53.653 54.000 -0.025 0.000 0.884 332 D CB 1.306 42.083 40.800 -0.039 0.000 1.262 332 D HN 0.308 8.678 8.370 0.000 0.000 0.552 333 I N 1.356 121.865 120.570 -0.102 0.000 2.315 333 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 333 I C 1.746 177.756 176.117 -0.179 0.000 1.125 333 I CA 1.361 62.594 61.300 -0.110 0.000 1.392 333 I CB -0.238 37.718 38.000 -0.075 0.000 1.065 333 I HN 0.255 8.465 8.210 0.000 0.000 0.424 334 A N 0.434 123.067 122.820 -0.312 0.000 2.168 334 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 334 A C 2.168 179.353 177.584 -0.665 0.000 1.152 334 A CA 0.956 52.712 52.037 -0.468 0.000 0.716 334 A CB -0.611 18.080 19.000 -0.515 0.000 0.794 334 A HN 0.665 8.815 8.150 0.000 0.000 0.465 335 Q N -0.540 118.903 119.800 -0.596 0.000 2.444 335 Q HA 0.139 4.478 4.340 -0.001 0.000 0.206 335 Q C -0.705 175.295 176.000 -0.001 0.000 0.948 335 Q CA 0.041 55.676 55.803 -0.281 0.000 0.946 335 Q CB 0.301 28.929 28.738 -0.184 0.000 1.027 335 Q HN 0.423 8.693 8.270 0.000 0.000 0.513 336 V N 1.085 120.946 119.914 -0.088 0.000 2.495 336 V HA 0.244 4.363 4.120 -0.001 0.000 0.298 336 V C -0.549 175.335 176.094 -0.351 0.000 1.031 336 V CA -0.816 61.372 62.300 -0.187 0.000 0.871 336 V CB 1.755 33.558 31.823 -0.033 0.000 0.988 336 V HN 0.148 8.338 8.190 0.000 0.000 0.432 337 N N 4.350 122.705 118.700 -0.575 0.000 2.682 337 N HA 0.427 5.166 4.740 -0.001 0.000 0.252 337 N C -0.779 174.516 175.510 -0.357 0.000 1.081 337 N CA -0.625 52.076 53.050 -0.583 0.000 0.844 337 N CB 0.719 38.562 38.487 -1.073 0.000 1.167 337 N HN 0.638 9.018 8.380 0.000 0.000 0.523 338 L N 3.520 124.613 121.223 -0.216 0.000 2.584 338 L HA 0.002 4.341 4.340 -0.001 0.000 0.272 338 L C 1.293 178.056 176.870 -0.179 0.000 1.195 338 L CA 0.274 55.033 54.840 -0.135 0.000 0.920 338 L CB 0.433 42.451 42.059 -0.068 0.000 1.173 338 L HN 0.505 8.735 8.230 0.000 0.000 0.489 339 K N 3.071 123.347 120.400 -0.206 0.000 2.367 339 K HA 0.208 4.527 4.320 -0.001 0.000 0.198 339 K C -0.372 175.874 176.600 -0.590 0.000 1.132 339 K CA 0.621 56.651 56.287 -0.429 0.000 0.941 339 K CB 0.615 32.815 32.500 -0.500 0.000 1.052 339 K HN 0.316 8.566 8.250 0.000 0.000 0.507 340 Y N -0.150 120.163 120.300 0.022 0.000 2.553 340 Y HA 0.535 5.085 4.550 0.001 0.000 0.347 340 Y C -0.787 175.198 175.900 0.142 0.000 1.019 340 Y CA -1.006 57.140 58.100 0.076 0.000 1.032 340 Y CB 2.048 40.529 38.460 0.036 0.000 1.284 340 Y HN -0.195 8.085 8.280 0.000 0.000 0.466 341 L N 2.945 124.402 121.223 0.390 0.000 2.385 341 L HA 0.703 5.043 4.340 -0.001 0.000 0.273 341 L C -1.948 175.151 176.870 0.383 0.000 0.990 341 L CA -0.763 54.290 54.840 0.356 0.000 0.821 341 L CB 1.284 43.519 42.059 0.293 0.000 1.279 341 L HN 0.559 8.789 8.230 0.000 0.000 0.412 342 L N 4.282 125.678 121.223 0.289 0.000 2.346 342 L HA 0.513 4.852 4.340 -0.001 0.000 0.276 342 L C -0.511 176.452 176.870 0.154 0.000 1.006 342 L CA -0.301 54.667 54.840 0.212 0.000 0.817 342 L CB 1.803 43.978 42.059 0.195 0.000 1.272 342 L HN 0.442 8.672 8.230 0.000 0.000 0.421 343 K N 3.337 123.822 120.400 0.140 0.000 2.263 343 K HA 0.725 5.044 4.320 -0.001 0.000 0.272 343 K C -1.503 175.117 176.600 0.034 0.000 1.033 343 K CA -0.185 56.161 56.287 0.099 0.000 0.884 343 K CB 0.501 33.101 32.500 0.166 0.000 1.107 343 K HN 0.517 8.767 8.250 0.000 0.000 0.460 344 L N 3.572 124.810 121.223 0.026 0.000 2.342 344 L HA 0.514 4.853 4.340 -0.001 0.000 0.271 344 L C -0.684 176.196 176.870 0.016 0.000 1.008 344 L CA -1.014 53.800 54.840 -0.044 0.000 0.818 344 L CB 1.933 43.895 42.059 -0.160 0.000 1.296 344 L HN 0.543 8.773 8.230 0.000 0.000 0.427 345 K N 1.769 122.128 120.400 -0.067 0.000 2.235 345 K HA 0.525 4.844 4.320 -0.001 0.000 0.266 345 K C -1.468 175.059 176.600 -0.121 0.000 0.980 345 K CA -0.226 56.061 56.287 -0.000 0.000 0.849 345 K CB 0.818 33.308 32.500 -0.017 0.000 1.098 345 K HN 0.209 8.459 8.250 0.000 0.000 0.445 346 F N 3.076 122.853 119.950 -0.288 0.000 2.405 346 F HA 0.332 4.860 4.527 0.001 0.000 0.355 346 F C 0.026 175.534 175.800 -0.486 0.000 1.121 346 F CA -0.710 56.964 58.000 -0.543 0.000 1.112 346 F CB 1.140 39.626 39.000 -0.856 0.000 1.126 346 F HN 0.484 8.784 8.300 0.000 0.000 0.481 347 N N 4.751 123.299 118.700 -0.254 0.000 2.609 347 N HA 0.241 4.980 4.740 -0.001 0.000 0.234 347 N C -0.827 174.638 175.510 -0.075 0.000 1.001 347 N CA -0.386 52.605 53.050 -0.098 0.000 0.926 347 N CB 0.343 38.809 38.487 -0.034 0.000 1.130 347 N HN 0.243 8.623 8.380 0.000 0.000 0.510 348 F N 0.719 120.773 119.950 0.172 0.000 2.450 348 F HA 0.263 4.791 4.527 0.001 0.000 0.339 348 F C 1.480 177.345 175.800 0.109 0.000 1.146 348 F CA 0.050 58.157 58.000 0.178 0.000 1.267 348 F CB 0.958 40.042 39.000 0.141 0.000 1.178 348 F HN 0.011 8.311 8.300 0.000 0.000 0.585 349 K N 0.000 120.566 120.400 0.277 0.000 2.780 349 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 349 K CA 0.000 56.379 56.287 0.154 0.000 0.838 349 K CB 0.000 32.559 32.500 0.098 0.000 1.064 349 K HN 0.000 8.250 8.250 0.000 0.000 0.543