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 1qun_1_P DATA FIRST_RESID 1 DATA SEQUENCE FAcKTANGTA IPIGGGSANV YVNLAPVVNV GQNLVVDLST QIFcHNDYPE DATA SEQUENCE TITDYVTLQR GSAYGGVLSN FSGTVKYSGS SYPFPTTSET PRVVYNSRTD DATA SEQUENCE KPWPVALYLT PVSSAGGVAI KAGSLIAVLI LRQTNNYNSD DFQFVWNIYA DATA SEQUENCE NNDVVVPTGG cDVSARDVTV TLPDYPGSVP IPLTVYcAKS QNLGYYLSGT DATA SEQUENCE TADAGNSIFT NTASFSPAQG VGVQLTRNGT IIPANNTVSL GAVGTSAVSL DATA SEQUENCE GLTANYARTG GQVTAGNVQS IIGVTFVYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1 F C 0.000 175.722 175.800 -0.130 0.000 0.967 1 F CA 0.000 57.929 58.000 -0.118 0.000 1.383 1 F CB 0.000 38.953 39.000 -0.079 0.000 1.145 2 A N 2.916 125.090 122.820 -1.077 0.000 2.609 2 A HA 0.918 5.238 4.320 0.001 0.000 0.291 2 A C -1.677 175.381 177.584 -0.876 0.000 1.096 2 A CA -0.513 51.121 52.037 -0.672 0.000 0.684 2 A CB 1.391 20.202 19.000 -0.315 0.000 1.282 2 A HN 1.243 9.393 8.150 -0.000 0.000 0.412 3 c N 0.209 118.609 118.600 -0.333 0.000 3.241 3 c HA 0.909 5.480 4.570 0.001 0.000 0.312 3 c C -0.548 173.621 174.090 0.131 0.000 1.350 3 c CA -0.813 55.412 56.329 -0.174 0.000 1.415 3 c CB 2.041 44.499 42.510 -0.086 0.000 1.770 3 c HN 1.136 9.366 8.230 -0.000 0.000 0.466 4 K N -0.252 120.248 120.400 0.167 0.000 2.495 4 K HA 0.781 5.101 4.320 0.001 0.000 0.268 4 K C -1.325 175.416 176.600 0.234 0.000 1.008 4 K CA -0.216 56.211 56.287 0.232 0.000 0.882 4 K CB 1.605 34.201 32.500 0.160 0.000 1.443 4 K HN 0.602 8.852 8.250 -0.000 0.000 0.447 5 T N 0.478 115.182 114.554 0.250 0.000 2.925 5 T HA 0.384 4.734 4.350 0.001 0.000 0.285 5 T C 1.158 176.001 174.700 0.239 0.000 1.021 5 T CA -0.170 62.060 62.100 0.217 0.000 1.042 5 T CB 1.594 70.606 68.868 0.239 0.000 1.037 5 T HN 0.671 8.911 8.240 -0.000 0.000 0.481 6 A N 1.786 124.763 122.820 0.262 0.000 2.076 6 A HA -0.115 4.206 4.320 0.001 0.000 0.220 6 A C 1.889 179.563 177.584 0.150 0.000 1.160 6 A CA 1.704 53.879 52.037 0.230 0.000 0.653 6 A CB -0.824 18.325 19.000 0.248 0.000 0.801 6 A HN 0.802 8.952 8.150 -0.000 0.000 0.455 7 N N -0.804 117.990 118.700 0.157 0.000 2.515 7 N HA 0.178 4.918 4.740 0.001 0.000 0.191 7 N C 1.094 176.674 175.510 0.117 0.000 1.182 7 N CA 1.231 54.363 53.050 0.135 0.000 0.879 7 N CB -0.300 38.297 38.487 0.183 0.000 0.984 7 N HN 0.525 8.905 8.380 -0.000 0.000 0.453 8 G N -1.067 107.804 108.800 0.118 0.000 2.220 8 G HA2 -0.328 3.632 3.960 0.001 0.000 0.269 8 G HA3 -0.328 3.632 3.960 0.001 0.000 0.269 8 G C 0.347 175.309 174.900 0.104 0.000 0.977 8 G CA 0.957 46.115 45.100 0.096 0.000 0.634 8 G HN 0.458 8.748 8.290 -0.000 0.000 0.539 9 T N 1.339 115.969 114.554 0.127 0.000 2.940 9 T HA 0.534 4.884 4.350 0.001 0.000 0.309 9 T C 0.618 175.395 174.700 0.129 0.000 1.056 9 T CA 0.641 62.809 62.100 0.113 0.000 1.137 9 T CB 1.647 70.592 68.868 0.128 0.000 0.976 9 T HN 1.410 9.650 8.240 -0.000 0.000 0.547 10 A N 2.780 125.649 122.820 0.081 0.000 2.322 10 A HA 0.853 5.174 4.320 0.001 0.000 0.327 10 A C -0.526 177.066 177.584 0.013 0.000 1.134 10 A CA -0.940 51.140 52.037 0.072 0.000 0.831 10 A CB 0.898 19.923 19.000 0.041 0.000 1.288 10 A HN 0.840 8.990 8.150 -0.000 0.000 0.472 11 I N 1.980 122.558 120.570 0.013 0.000 2.529 11 I HA 0.318 4.489 4.170 0.001 0.000 0.284 11 I C -2.434 173.680 176.117 -0.006 0.000 1.088 11 I CA -1.681 59.574 61.300 -0.074 0.000 1.062 11 I CB 2.323 40.221 38.000 -0.171 0.000 1.218 11 I HN 0.528 8.738 8.210 -0.000 0.000 0.442 12 P HA 0.287 4.707 4.420 -0.000 0.000 0.312 12 P C 0.140 177.385 177.300 -0.092 0.000 1.308 12 P CA -0.436 62.621 63.100 -0.072 0.000 0.743 12 P CB 1.107 32.747 31.700 -0.100 0.000 1.364 13 I N -0.185 120.335 120.570 -0.082 0.000 2.821 13 I HA -0.056 4.114 4.170 0.001 0.000 0.294 13 I C 1.638 177.533 176.117 -0.370 0.000 1.210 13 I CA 1.516 62.760 61.300 -0.094 0.000 1.430 13 I CB -1.029 36.950 38.000 -0.035 0.000 1.356 13 I HN 0.768 8.978 8.210 -0.000 0.000 0.563 14 G N 4.498 112.895 108.800 -0.671 0.000 2.187 14 G HA2 -0.218 3.743 3.960 0.001 0.000 0.261 14 G HA3 -0.218 3.743 3.960 0.001 0.000 0.261 14 G C 0.574 174.725 174.900 -1.247 0.000 1.000 14 G CA 0.134 44.079 45.100 -1.925 0.000 0.718 14 G HN 1.046 9.336 8.290 -0.000 0.000 0.519 15 G N -0.697 107.461 108.800 -1.071 0.000 2.527 15 G HA2 0.614 4.574 3.960 0.001 0.000 0.248 15 G HA3 0.614 4.574 3.960 0.001 0.000 0.248 15 G C 1.076 175.346 174.900 -1.050 0.000 1.231 15 G CA 0.285 44.806 45.100 -0.965 0.000 0.838 15 G HN 0.982 9.272 8.290 -0.000 0.000 0.570 16 G N 0.272 108.696 108.800 -0.627 0.000 2.832 16 G HA2 0.414 4.375 3.960 0.001 0.000 0.187 16 G HA3 0.414 4.375 3.960 0.001 0.000 0.187 16 G C 0.511 175.135 174.900 -0.460 0.000 1.817 16 G CA 0.967 45.786 45.100 -0.467 0.000 0.896 16 G HN 1.194 9.484 8.290 -0.000 0.000 0.453 17 S N -1.733 113.747 115.700 -0.366 0.000 2.632 17 S HA 0.828 5.299 4.470 0.001 0.000 0.289 17 S C -0.702 173.708 174.600 -0.317 0.000 1.115 17 S CA -0.115 57.854 58.200 -0.386 0.000 0.889 17 S CB 2.114 65.167 63.200 -0.244 0.000 1.116 17 S HN 1.595 9.905 8.310 -0.000 0.000 0.486 18 A N 0.978 123.616 122.820 -0.304 0.000 2.604 18 A HA 0.752 5.072 4.320 0.001 0.000 0.295 18 A C -1.625 175.960 177.584 0.002 0.000 1.067 18 A CA -0.922 51.036 52.037 -0.131 0.000 0.683 18 A CB 0.953 19.893 19.000 -0.101 0.000 1.281 18 A HN 0.647 8.797 8.150 -0.000 0.000 0.407 19 N N -0.039 118.674 118.700 0.023 0.000 2.499 19 N HA 0.555 5.296 4.740 0.001 0.000 0.281 19 N C -0.813 174.621 175.510 -0.126 0.000 1.098 19 N CA -0.116 52.901 53.050 -0.056 0.000 0.979 19 N CB 1.609 39.977 38.487 -0.198 0.000 1.121 19 N HN 0.400 8.780 8.380 -0.000 0.000 0.466 20 V N 2.886 122.716 119.914 -0.141 0.000 2.448 20 V HA 0.378 4.499 4.120 0.001 0.000 0.295 20 V C -0.988 174.963 176.094 -0.237 0.000 1.025 20 V CA -0.748 61.518 62.300 -0.057 0.000 0.859 20 V CB 0.663 32.548 31.823 0.104 0.000 0.988 20 V HN 0.505 8.695 8.190 -0.000 0.000 0.431 21 Y N 3.702 124.098 120.300 0.159 0.000 2.334 21 Y HA 0.656 5.206 4.550 0.001 0.000 0.336 21 Y C 0.201 176.160 175.900 0.098 0.000 0.960 21 Y CA -0.900 57.283 58.100 0.138 0.000 1.164 21 Y CB 1.993 40.501 38.460 0.081 0.000 1.155 21 Y HN 0.566 8.846 8.280 -0.000 0.000 0.478 22 V N 0.069 120.098 119.914 0.193 0.000 2.815 22 V HA 0.616 4.736 4.120 0.001 0.000 0.314 22 V C -0.676 175.471 176.094 0.088 0.000 1.064 22 V CA -1.159 61.205 62.300 0.106 0.000 0.952 22 V CB 1.995 33.845 31.823 0.044 0.000 1.020 22 V HN 0.635 8.825 8.190 -0.000 0.000 0.439 23 N N 2.802 121.536 118.700 0.056 0.000 2.455 23 N HA 0.625 5.365 4.740 0.001 0.000 0.280 23 N C -0.863 174.658 175.510 0.019 0.000 1.055 23 N CA -0.206 52.871 53.050 0.045 0.000 0.961 23 N CB 1.779 40.287 38.487 0.036 0.000 1.121 23 N HN 0.699 9.079 8.380 -0.000 0.000 0.476 24 L N 1.055 122.291 121.223 0.020 0.000 2.329 24 L HA 0.539 4.879 4.340 0.001 0.000 0.279 24 L C 0.639 177.514 176.870 0.008 0.000 1.014 24 L CA -1.293 53.547 54.840 0.000 0.000 0.814 24 L CB 1.446 43.503 42.059 -0.003 0.000 1.257 24 L HN 0.442 8.672 8.230 -0.000 0.000 0.424 25 A N 3.793 126.612 122.820 -0.003 0.000 2.573 25 A HA 0.146 4.466 4.320 0.001 0.000 0.250 25 A C -1.661 175.940 177.584 0.029 0.000 1.049 25 A CA -0.594 51.449 52.037 0.011 0.000 0.767 25 A CB -0.374 18.630 19.000 0.007 0.000 0.965 25 A HN 0.631 8.781 8.150 -0.000 0.000 0.514 26 P HA 0.019 4.439 4.420 -0.000 0.000 0.223 26 P C -0.173 177.155 177.300 0.047 0.000 1.151 26 P CA 0.840 63.964 63.100 0.039 0.000 0.787 26 P CB 0.218 31.937 31.700 0.032 0.000 0.788 27 V N 0.144 120.085 119.914 0.044 0.000 2.524 27 V HA 0.233 4.353 4.120 0.001 0.000 0.297 27 V C -0.567 175.559 176.094 0.053 0.000 1.035 27 V CA -0.746 61.582 62.300 0.047 0.000 0.867 27 V CB 2.646 34.488 31.823 0.033 0.000 1.004 27 V HN -0.336 7.854 8.190 -0.000 0.000 0.426 28 V N 4.184 124.143 119.914 0.074 0.000 2.604 28 V HA 0.606 4.726 4.120 0.001 0.000 0.305 28 V C -0.022 176.106 176.094 0.057 0.000 1.043 28 V CA -0.866 61.485 62.300 0.086 0.000 0.888 28 V CB 1.897 33.819 31.823 0.164 0.000 0.995 28 V HN 0.761 8.951 8.190 -0.000 0.000 0.429 29 N N 1.066 119.789 118.700 0.039 0.000 2.476 29 N HA 0.479 5.220 4.740 0.001 0.000 0.287 29 N C -0.489 175.022 175.510 0.000 0.000 1.262 29 N CA -0.484 52.572 53.050 0.011 0.000 0.980 29 N CB 1.798 40.286 38.487 0.001 0.000 1.163 29 N HN 0.452 8.832 8.380 -0.000 0.000 0.592 30 V N 0.777 120.677 119.914 -0.023 0.000 2.529 30 V HA 0.230 4.351 4.120 0.001 0.000 0.292 30 V C 1.341 177.427 176.094 -0.012 0.000 1.028 30 V CA 1.212 63.490 62.300 -0.036 0.000 1.074 30 V CB 0.158 31.950 31.823 -0.051 0.000 0.958 30 V HN 0.992 9.182 8.190 -0.000 0.000 0.481 31 G N 4.076 112.876 108.800 0.001 0.000 2.179 31 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 31 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 31 G C 0.099 175.023 174.900 0.040 0.000 0.977 31 G CA 0.276 45.388 45.100 0.020 0.000 0.641 31 G HN 0.653 8.943 8.290 -0.000 0.000 0.533 32 Q N -0.062 119.770 119.800 0.053 0.000 2.214 32 Q HA 0.581 4.922 4.340 0.001 0.000 0.251 32 Q C 0.120 176.182 176.000 0.104 0.000 0.936 32 Q CA -0.603 55.239 55.803 0.065 0.000 0.894 32 Q CB 0.777 29.548 28.738 0.055 0.000 1.252 32 Q HN 0.420 8.690 8.270 -0.000 0.000 0.448 33 N N 0.494 119.254 118.700 0.101 0.000 2.518 33 N HA 0.287 5.027 4.740 0.001 0.000 0.283 33 N C -1.428 174.128 175.510 0.077 0.000 1.119 33 N CA -0.413 52.709 53.050 0.121 0.000 0.983 33 N CB 0.613 39.196 38.487 0.160 0.000 1.139 33 N HN 0.265 8.645 8.380 -0.000 0.000 0.465 34 L N 3.949 125.204 121.223 0.053 0.000 2.264 34 L HA 0.380 4.721 4.340 0.001 0.000 0.287 34 L C -1.184 175.595 176.870 -0.153 0.000 1.039 34 L CA -0.540 54.280 54.840 -0.033 0.000 0.829 34 L CB 0.647 42.653 42.059 -0.089 0.000 1.211 34 L HN 0.254 8.484 8.230 -0.000 0.000 0.427 35 V N 5.958 125.756 119.914 -0.192 0.000 2.406 35 V HA 0.303 4.424 4.120 0.001 0.000 0.272 35 V C -0.052 175.862 176.094 -0.299 0.000 1.043 35 V CA -0.630 61.445 62.300 -0.374 0.000 0.915 35 V CB 1.368 32.910 31.823 -0.468 0.000 0.988 35 V HN 0.461 8.651 8.190 -0.000 0.000 0.466 36 V N 3.528 123.238 119.914 -0.340 0.000 2.294 36 V HA 0.309 4.429 4.120 0.001 0.000 0.272 36 V C -0.023 175.909 176.094 -0.270 0.000 1.027 36 V CA -0.583 61.566 62.300 -0.253 0.000 0.823 36 V CB 1.114 32.800 31.823 -0.229 0.000 1.030 36 V HN 0.816 9.006 8.190 -0.000 0.000 0.457 37 D N 4.032 124.300 120.400 -0.220 0.000 2.339 37 D HA 0.298 4.939 4.640 0.001 0.000 0.241 37 D C 0.583 176.780 176.300 -0.171 0.000 1.183 37 D CA -0.052 53.827 54.000 -0.203 0.000 0.859 37 D CB 1.649 42.355 40.800 -0.156 0.000 1.067 37 D HN 0.446 8.816 8.370 -0.000 0.000 0.484 38 L N 2.721 123.824 121.223 -0.200 0.000 2.567 38 L HA -0.007 4.334 4.340 0.001 0.000 0.225 38 L C 2.224 178.957 176.870 -0.229 0.000 1.119 38 L CA 0.145 54.879 54.840 -0.178 0.000 0.871 38 L CB 0.007 41.973 42.059 -0.155 0.000 1.036 38 L HN 0.354 8.584 8.230 -0.000 0.000 0.459 39 S N -2.561 112.991 115.700 -0.247 0.000 2.603 39 S HA -0.094 4.377 4.470 0.001 0.000 0.229 39 S C 1.604 175.968 174.600 -0.393 0.000 0.972 39 S CA 1.187 59.211 58.200 -0.293 0.000 0.935 39 S CB -0.188 62.892 63.200 -0.200 0.000 0.769 39 S HN 0.300 8.610 8.310 -0.000 0.000 0.536 40 T N 0.375 114.762 114.554 -0.279 0.000 3.010 40 T HA 0.274 4.625 4.350 0.001 0.000 0.257 40 T C 1.405 176.078 174.700 -0.044 0.000 1.020 40 T CA -0.050 62.013 62.100 -0.063 0.000 0.938 40 T CB 0.160 69.022 68.868 -0.010 0.000 1.049 40 T HN 0.333 8.573 8.240 -0.000 0.000 0.522 41 Q N -0.128 119.519 119.800 -0.255 0.000 2.422 41 Q HA 0.389 4.729 4.340 0.001 0.000 0.255 41 Q C 0.254 176.092 176.000 -0.271 0.000 0.864 41 Q CA 0.365 56.094 55.803 -0.124 0.000 0.968 41 Q CB 1.423 30.116 28.738 -0.075 0.000 1.130 41 Q HN 0.436 8.706 8.270 -0.000 0.000 0.556 42 I N 1.498 121.739 120.570 -0.549 0.000 2.355 42 I HA 0.339 4.509 4.170 0.001 0.000 0.288 42 I C -1.062 174.692 176.117 -0.604 0.000 0.999 42 I CA -0.549 60.382 61.300 -0.615 0.000 1.163 42 I CB 0.808 38.251 38.000 -0.929 0.000 1.316 42 I HN -0.182 8.028 8.210 -0.000 0.000 0.454 43 F N 4.815 124.683 119.950 -0.137 0.000 2.520 43 F HA 0.614 5.142 4.527 0.001 0.000 0.322 43 F C 0.043 175.798 175.800 -0.075 0.000 1.103 43 F CA -0.562 57.425 58.000 -0.021 0.000 0.926 43 F CB 1.680 40.697 39.000 0.027 0.000 1.154 43 F HN 0.354 8.654 8.300 -0.000 0.000 0.453 44 c N 1.710 120.389 118.600 0.133 0.000 3.044 44 c HA 0.764 5.334 4.570 0.001 0.000 0.315 44 c C -0.724 173.373 174.090 0.012 0.000 1.320 44 c CA -0.695 55.503 56.329 -0.218 0.000 1.582 44 c CB 2.284 44.380 42.510 -0.691 0.000 2.039 44 c HN 0.972 9.202 8.230 -0.000 0.000 0.466 45 H N -0.169 118.755 119.070 -0.243 0.000 2.990 45 H HA 0.444 5.000 4.556 0.001 0.000 0.336 45 H C -1.617 173.721 175.328 0.016 0.000 1.306 45 H CA -0.496 55.559 56.048 0.011 0.000 1.118 45 H CB 0.967 30.730 29.762 0.001 0.000 1.856 45 H HN 0.563 8.843 8.280 -0.000 0.000 0.538 46 N N 0.703 119.608 118.700 0.342 0.000 2.444 46 N HA 0.006 4.746 4.740 0.001 0.000 0.271 46 N C 0.230 175.855 175.510 0.191 0.000 1.069 46 N CA 0.075 53.287 53.050 0.270 0.000 0.965 46 N CB 0.982 39.596 38.487 0.211 0.000 1.092 46 N HN 0.541 8.921 8.380 -0.000 0.000 0.476 47 D N 2.358 122.774 120.400 0.026 0.000 2.162 47 D HA -0.112 4.529 4.640 0.001 0.000 0.203 47 D C -0.220 175.725 176.300 -0.592 0.000 0.967 47 D CA 1.416 55.240 54.000 -0.295 0.000 0.840 47 D CB 0.302 40.791 40.800 -0.518 0.000 0.972 47 D HN 0.599 8.969 8.370 -0.000 0.000 0.482 48 Y N -0.174 120.161 120.300 0.058 0.000 2.658 48 Y HA 0.232 4.782 4.550 0.001 0.000 0.362 48 Y C -1.736 174.172 175.900 0.015 0.000 1.017 48 Y CA -1.686 56.420 58.100 0.011 0.000 1.134 48 Y CB 1.560 39.989 38.460 -0.052 0.000 1.144 48 Y HN -0.072 8.208 8.280 -0.000 0.000 0.655 49 P HA -0.112 4.308 4.420 -0.000 0.000 0.221 49 P C 0.559 177.910 177.300 0.085 0.000 1.150 49 P CA 1.240 64.397 63.100 0.096 0.000 0.800 49 P CB 0.498 32.248 31.700 0.084 0.000 0.787 50 E N -0.603 119.653 120.200 0.093 0.000 2.338 50 E HA -0.064 4.286 4.350 0.001 0.000 0.197 50 E C 1.158 177.798 176.600 0.068 0.000 1.007 50 E CA 1.522 57.965 56.400 0.072 0.000 0.849 50 E CB -0.632 29.108 29.700 0.068 0.000 0.774 50 E HN 0.367 8.727 8.360 -0.000 0.000 0.506 51 T N -1.664 112.936 114.554 0.078 0.000 2.966 51 T HA 0.325 4.676 4.350 0.001 0.000 0.254 51 T C 0.571 175.320 174.700 0.082 0.000 0.961 51 T CA -0.251 61.892 62.100 0.073 0.000 0.915 51 T CB 0.620 69.523 68.868 0.060 0.000 1.186 51 T HN -0.086 8.154 8.240 -0.000 0.000 0.505 52 I N 1.619 122.231 120.570 0.069 0.000 2.509 52 I HA 0.446 4.616 4.170 0.001 0.000 0.293 52 I C -0.678 175.438 176.117 -0.001 0.000 1.020 52 I CA -0.813 60.517 61.300 0.049 0.000 1.088 52 I CB 2.287 40.300 38.000 0.021 0.000 1.267 52 I HN -0.154 8.056 8.210 -0.000 0.000 0.430 53 T N 3.950 118.452 114.554 -0.088 0.000 2.749 53 T HA 0.246 4.597 4.350 0.001 0.000 0.287 53 T C -0.600 173.819 174.700 -0.469 0.000 0.970 53 T CA -0.386 61.571 62.100 -0.239 0.000 0.980 53 T CB 0.570 69.280 68.868 -0.263 0.000 0.924 53 T HN 0.384 8.624 8.240 -0.000 0.000 0.456 54 D N 2.367 122.593 120.400 -0.290 0.000 2.177 54 D HA 0.302 4.943 4.640 0.001 0.000 0.247 54 D C -0.730 175.412 176.300 -0.264 0.000 1.063 54 D CA 0.008 53.835 54.000 -0.288 0.000 0.867 54 D CB 1.006 41.714 40.800 -0.154 0.000 1.168 54 D HN 0.526 8.896 8.370 -0.000 0.000 0.445 55 Y N 0.591 120.844 120.300 -0.079 0.000 2.326 55 Y HA 0.431 4.981 4.550 0.001 0.000 0.331 55 Y C -0.208 175.649 175.900 -0.072 0.000 0.962 55 Y CA -0.992 57.102 58.100 -0.010 0.000 1.167 55 Y CB 1.742 40.202 38.460 -0.001 0.000 1.148 55 Y HN -0.035 8.245 8.280 -0.000 0.000 0.463 56 V N 3.255 123.309 119.914 0.233 0.000 2.487 56 V HA 0.426 4.547 4.120 0.001 0.000 0.298 56 V C -0.113 176.199 176.094 0.365 0.000 1.028 56 V CA -0.551 61.863 62.300 0.190 0.000 0.860 56 V CB 1.906 33.837 31.823 0.180 0.000 0.991 56 V HN 0.769 8.959 8.190 -0.000 0.000 0.427 57 T N 4.455 119.154 114.554 0.243 0.000 2.940 57 T HA 0.622 4.973 4.350 0.001 0.000 0.288 57 T C -0.727 174.014 174.700 0.068 0.000 1.033 57 T CA -0.346 61.816 62.100 0.103 0.000 1.033 57 T CB 1.480 70.372 68.868 0.040 0.000 1.079 57 T HN 0.535 8.775 8.240 -0.000 0.000 0.496 58 L N 3.361 124.350 121.223 -0.391 0.000 2.321 58 L HA 0.421 4.762 4.340 0.001 0.000 0.272 58 L C 1.328 178.120 176.870 -0.130 0.000 1.050 58 L CA 0.049 54.765 54.840 -0.207 0.000 0.893 58 L CB 0.663 42.413 42.059 -0.515 0.000 1.272 58 L HN 0.616 8.846 8.230 -0.000 0.000 0.435 59 Q N 2.665 122.484 119.800 0.031 0.000 2.123 59 Q HA -0.031 4.309 4.340 0.001 0.000 0.199 59 Q C 0.088 176.096 176.000 0.013 0.000 0.966 59 Q CA 0.949 56.757 55.803 0.008 0.000 0.845 59 Q CB 0.404 29.176 28.738 0.056 0.000 0.907 59 Q HN 0.723 8.993 8.270 -0.000 0.000 0.439 60 R N -1.586 118.956 120.500 0.070 0.000 2.563 60 R HA 0.432 4.773 4.340 0.001 0.000 0.262 60 R C -1.499 174.891 176.300 0.150 0.000 1.128 60 R CA 0.061 56.204 56.100 0.071 0.000 0.969 60 R CB 1.512 31.842 30.300 0.051 0.000 1.251 60 R HN 0.101 8.371 8.270 -0.000 0.000 0.442 61 G N 1.448 110.353 108.800 0.174 0.000 2.470 61 G HA2 0.577 4.538 3.960 0.001 0.000 0.320 61 G HA3 0.577 4.538 3.960 0.001 0.000 0.320 61 G C -1.210 173.725 174.900 0.057 0.000 1.245 61 G CA -0.461 44.849 45.100 0.350 0.000 0.935 61 G HN 0.480 8.770 8.290 -0.000 0.000 0.476 62 S N -0.348 115.398 115.700 0.075 0.000 2.526 62 S HA 0.805 5.276 4.470 0.001 0.000 0.293 62 S C 0.019 174.486 174.600 -0.222 0.000 1.092 62 S CA -0.475 57.590 58.200 -0.225 0.000 0.980 62 S CB 1.955 65.064 63.200 -0.151 0.000 1.048 62 S HN 1.133 9.443 8.310 -0.000 0.000 0.483 63 A N 1.948 124.452 122.820 -0.527 0.000 2.320 63 A HA 0.903 5.224 4.320 0.001 0.000 0.334 63 A C -1.509 175.798 177.584 -0.462 0.000 1.147 63 A CA -0.447 51.418 52.037 -0.287 0.000 0.820 63 A CB 0.526 19.344 19.000 -0.304 0.000 1.218 63 A HN 0.769 8.919 8.150 -0.000 0.000 0.482 64 Y N -0.483 119.827 120.300 0.016 0.000 2.638 64 Y HA 0.509 5.059 4.550 0.001 0.000 0.335 64 Y C 1.247 177.165 175.900 0.029 0.000 1.155 64 Y CA 0.136 58.240 58.100 0.006 0.000 1.046 64 Y CB 1.526 39.975 38.460 -0.018 0.000 1.303 64 Y HN 1.368 9.648 8.280 -0.000 0.000 0.460 65 G N 1.165 110.099 108.800 0.222 0.000 2.700 65 G HA2 -0.407 3.554 3.960 0.001 0.000 0.350 65 G HA3 -0.407 3.554 3.960 0.001 0.000 0.350 65 G C 1.446 176.431 174.900 0.141 0.000 1.250 65 G CA 1.238 46.428 45.100 0.152 0.000 0.978 65 G HN 1.443 9.733 8.290 -0.000 0.000 0.551 66 G N -0.865 108.029 108.800 0.157 0.000 2.422 66 G HA2 0.064 4.025 3.960 0.001 0.000 0.218 66 G HA3 0.064 4.025 3.960 0.001 0.000 0.218 66 G C 1.856 176.949 174.900 0.322 0.000 1.146 66 G CA 2.262 47.490 45.100 0.213 0.000 0.769 66 G HN 1.024 9.314 8.290 -0.000 0.000 0.547 67 V N 0.676 120.730 119.914 0.233 0.000 2.270 67 V HA -0.122 3.998 4.120 0.001 0.000 0.245 67 V C 2.657 178.896 176.094 0.241 0.000 1.043 67 V CA 1.584 64.028 62.300 0.241 0.000 1.014 67 V CB -0.559 31.333 31.823 0.115 0.000 0.645 67 V HN 0.340 8.530 8.190 -0.000 0.000 0.447 68 L N -0.026 121.268 121.223 0.118 0.000 2.127 68 L HA -0.146 4.195 4.340 0.001 0.000 0.211 68 L C 2.381 179.285 176.870 0.056 0.000 1.089 68 L CA 2.159 57.019 54.840 0.034 0.000 0.757 68 L CB -0.440 41.601 42.059 -0.029 0.000 0.899 68 L HN 0.297 8.527 8.230 -0.000 0.000 0.434 69 S N 0.058 115.811 115.700 0.089 0.000 2.387 69 S HA 0.049 4.520 4.470 0.001 0.000 0.221 69 S C 1.008 175.633 174.600 0.042 0.000 1.041 69 S CA 0.964 59.200 58.200 0.059 0.000 0.959 69 S CB -0.207 63.027 63.200 0.057 0.000 0.843 69 S HN 0.750 9.060 8.310 -0.000 0.000 0.488 70 N N -0.396 118.337 118.700 0.056 0.000 2.536 70 N HA 0.282 5.023 4.740 0.001 0.000 0.286 70 N C -1.304 173.980 175.510 -0.378 0.000 1.577 70 N CA -0.126 52.853 53.050 -0.119 0.000 0.883 70 N CB 0.346 38.758 38.487 -0.124 0.000 1.390 70 N HN 0.208 8.588 8.380 -0.000 0.000 0.491 71 F N 0.788 120.760 119.950 0.036 0.000 2.628 71 F HA 0.430 4.958 4.527 0.001 0.000 0.309 71 F C -0.170 175.660 175.800 0.050 0.000 1.108 71 F CA -0.793 57.236 58.000 0.048 0.000 0.971 71 F CB 2.218 41.259 39.000 0.069 0.000 1.279 71 F HN 0.028 8.328 8.300 -0.000 0.000 0.441 72 S N 1.531 117.389 115.700 0.264 0.000 2.568 72 S HA 1.006 5.477 4.470 0.001 0.000 0.293 72 S C -0.570 174.159 174.600 0.216 0.000 1.089 72 S CA 0.170 58.483 58.200 0.189 0.000 0.945 72 S CB 2.138 65.402 63.200 0.107 0.000 1.077 72 S HN 1.402 9.712 8.310 -0.000 0.000 0.485 73 G N 1.070 109.990 108.800 0.200 0.000 2.364 73 G HA2 0.552 4.512 3.960 0.001 0.000 0.286 73 G HA3 0.552 4.512 3.960 0.001 0.000 0.286 73 G C -0.884 174.150 174.900 0.223 0.000 1.241 73 G CA 0.036 45.260 45.100 0.207 0.000 0.887 73 G HN 1.534 9.824 8.290 -0.000 0.000 0.484 74 T N -2.635 112.053 114.554 0.222 0.000 2.906 74 T HA 0.713 5.064 4.350 0.001 0.000 0.295 74 T C -1.048 173.771 174.700 0.199 0.000 1.061 74 T CA -0.580 61.644 62.100 0.207 0.000 1.000 74 T CB 1.888 70.812 68.868 0.094 0.000 1.103 74 T HN 1.628 9.868 8.240 -0.000 0.000 0.486 75 V N 1.394 121.426 119.914 0.197 0.000 2.435 75 V HA 0.625 4.746 4.120 0.001 0.000 0.290 75 V C -0.292 175.913 176.094 0.184 0.000 1.030 75 V CA -0.827 61.538 62.300 0.108 0.000 0.881 75 V CB 1.192 33.057 31.823 0.070 0.000 0.983 75 V HN 1.002 9.192 8.190 -0.000 0.000 0.445 76 K N 5.874 126.376 120.400 0.170 0.000 2.264 76 K HA 0.347 4.668 4.320 0.001 0.000 0.277 76 K C -1.686 174.994 176.600 0.132 0.000 1.067 76 K CA -0.532 55.839 56.287 0.139 0.000 0.900 76 K CB 0.709 33.321 32.500 0.187 0.000 1.124 76 K HN 0.759 9.009 8.250 -0.000 0.000 0.469 77 Y N 3.437 123.783 120.300 0.077 0.000 2.328 77 Y HA 0.162 4.713 4.550 0.001 0.000 0.333 77 Y C 0.027 175.942 175.900 0.026 0.000 0.958 77 Y CA -0.296 57.807 58.100 0.005 0.000 1.167 77 Y CB 1.498 39.982 38.460 0.039 0.000 1.151 77 Y HN 0.811 9.091 8.280 -0.000 0.000 0.470 78 S N 4.455 119.818 115.700 -0.562 0.000 3.550 78 S HA -0.207 4.264 4.470 0.001 0.000 0.372 78 S C 1.129 175.644 174.600 -0.141 0.000 0.966 78 S CA 1.648 59.632 58.200 -0.360 0.000 1.229 78 S CB -1.698 61.298 63.200 -0.340 0.000 0.917 78 S HN 2.274 10.584 8.310 -0.000 0.000 0.496 79 G N -0.750 107.980 108.800 -0.115 0.000 2.189 79 G HA2 -0.270 3.691 3.960 0.001 0.000 0.267 79 G HA3 -0.270 3.691 3.960 0.001 0.000 0.267 79 G C 0.082 174.932 174.900 -0.083 0.000 0.975 79 G CA 0.599 45.648 45.100 -0.084 0.000 0.644 79 G HN 1.490 9.780 8.290 -0.000 0.000 0.537 80 S N -0.320 115.344 115.700 -0.061 0.000 2.532 80 S HA 0.699 5.170 4.470 0.001 0.000 0.299 80 S C 0.102 174.512 174.600 -0.317 0.000 1.105 80 S CA -0.061 58.025 58.200 -0.190 0.000 1.018 80 S CB 1.677 64.789 63.200 -0.146 0.000 1.021 80 S HN 0.471 8.781 8.310 -0.000 0.000 0.483 81 S N 2.749 118.192 115.700 -0.428 0.000 2.562 81 S HA 0.658 5.128 4.470 0.001 0.000 0.275 81 S C -1.325 172.883 174.600 -0.653 0.000 1.281 81 S CA -0.302 57.667 58.200 -0.384 0.000 1.045 81 S CB 0.295 63.341 63.200 -0.258 0.000 0.962 81 S HN 0.597 8.907 8.310 -0.000 0.000 0.503 82 Y N 0.257 120.579 120.300 0.037 0.000 2.562 82 Y HA 0.424 4.974 4.550 0.001 0.000 0.345 82 Y C -2.581 173.367 175.900 0.080 0.000 1.045 82 Y CA -2.642 55.487 58.100 0.049 0.000 1.028 82 Y CB 0.530 39.023 38.460 0.054 0.000 1.297 82 Y HN 0.422 8.702 8.280 -0.000 0.000 0.463 83 P HA -0.070 4.350 4.420 -0.000 0.000 0.266 83 P C -1.061 176.392 177.300 0.254 0.000 1.186 83 P CA 0.627 63.831 63.100 0.173 0.000 0.767 83 P CB 0.340 32.107 31.700 0.112 0.000 0.820 84 F N 3.667 123.657 119.950 0.067 0.000 2.671 84 F HA 0.442 4.970 4.527 0.001 0.000 0.332 84 F C -2.628 173.190 175.800 0.030 0.000 1.189 84 F CA -2.798 55.232 58.000 0.050 0.000 0.988 84 F CB 1.299 40.333 39.000 0.056 0.000 1.258 84 F HN 0.184 8.484 8.300 -0.000 0.000 0.471 85 P HA 0.125 4.545 4.420 -0.000 0.000 0.266 85 P C -0.399 176.775 177.300 -0.210 0.000 1.195 85 P CA 0.076 62.778 63.100 -0.664 0.000 0.768 85 P CB 0.556 31.983 31.700 -0.455 0.000 0.838 86 T N -1.391 113.103 114.554 -0.100 0.000 2.802 86 T HA 0.262 4.613 4.350 0.001 0.000 0.305 86 T C 0.909 175.595 174.700 -0.024 0.000 1.053 86 T CA 0.266 62.375 62.100 0.015 0.000 1.058 86 T CB 0.201 69.100 68.868 0.052 0.000 0.988 86 T HN 0.538 8.778 8.240 -0.000 0.000 0.539 87 T N -3.190 111.363 114.554 -0.001 0.000 3.087 87 T HA 0.425 4.776 4.350 0.001 0.000 0.283 87 T C 0.418 175.110 174.700 -0.014 0.000 0.956 87 T CA 0.106 62.201 62.100 -0.009 0.000 0.894 87 T CB -0.248 68.622 68.868 0.003 0.000 1.160 87 T HN 1.192 9.432 8.240 -0.000 0.000 0.532 88 S N 0.208 115.890 115.700 -0.030 0.000 2.615 88 S HA 0.474 4.945 4.470 0.001 0.000 0.268 88 S C -1.460 173.081 174.600 -0.097 0.000 1.146 88 S CA -1.018 57.153 58.200 -0.048 0.000 0.818 88 S CB 1.676 64.856 63.200 -0.033 0.000 1.111 88 S HN 0.432 8.742 8.310 -0.000 0.000 0.465 89 E N 0.868 121.011 120.200 -0.095 0.000 2.338 89 E HA 0.376 4.727 4.350 0.001 0.000 0.272 89 E C -0.121 176.351 176.600 -0.212 0.000 1.029 89 E CA -0.305 56.016 56.400 -0.132 0.000 0.872 89 E CB 0.868 30.521 29.700 -0.079 0.000 1.015 89 E HN 0.599 8.959 8.360 -0.000 0.000 0.417 90 T N 4.422 118.777 114.554 -0.332 0.000 2.855 90 T HA 0.163 4.514 4.350 0.001 0.000 0.314 90 T C -2.185 172.410 174.700 -0.174 0.000 1.077 90 T CA -1.102 60.745 62.100 -0.422 0.000 1.095 90 T CB 0.587 69.089 68.868 -0.610 0.000 0.987 90 T HN 0.493 8.733 8.240 -0.000 0.000 0.546 91 P HA 0.278 4.698 4.420 -0.000 0.000 0.276 91 P C -0.678 176.684 177.300 0.104 0.000 1.261 91 P CA -0.728 62.390 63.100 0.029 0.000 0.800 91 P CB 0.389 32.130 31.700 0.068 0.000 1.066 92 R N -0.316 120.237 120.500 0.088 0.000 2.643 92 R HA 0.410 4.751 4.340 0.001 0.000 0.270 92 R C -0.994 175.449 176.300 0.237 0.000 1.061 92 R CA -0.485 55.704 56.100 0.147 0.000 1.107 92 R CB -0.140 30.180 30.300 0.033 0.000 0.999 92 R HN 0.170 8.440 8.270 -0.000 0.000 0.460 93 V N 3.963 124.079 119.914 0.336 0.000 2.495 93 V HA 0.244 4.365 4.120 0.001 0.000 0.298 93 V C -0.344 175.950 176.094 0.332 0.000 1.031 93 V CA -0.909 61.556 62.300 0.274 0.000 0.871 93 V CB 1.785 33.740 31.823 0.220 0.000 0.988 93 V HN 0.694 8.884 8.190 -0.000 0.000 0.432 94 V N 6.227 126.262 119.914 0.201 0.000 2.465 94 V HA 0.551 4.672 4.120 0.001 0.000 0.279 94 V C -1.296 174.850 176.094 0.087 0.000 1.045 94 V CA -0.024 62.413 62.300 0.227 0.000 0.938 94 V CB 1.026 32.976 31.823 0.212 0.000 0.986 94 V HN 0.712 8.902 8.190 -0.000 0.000 0.467 95 Y N 6.255 126.605 120.300 0.082 0.000 2.356 95 Y HA 0.459 5.009 4.550 0.001 0.000 0.334 95 Y C 0.977 176.920 175.900 0.071 0.000 0.958 95 Y CA -0.752 57.413 58.100 0.108 0.000 1.196 95 Y CB 1.307 39.885 38.460 0.195 0.000 1.137 95 Y HN 0.822 9.102 8.280 -0.000 0.000 0.485 96 N N 1.613 120.405 118.700 0.152 0.000 2.735 96 N HA 0.358 5.099 4.740 0.001 0.000 0.312 96 N C -0.851 174.723 175.510 0.106 0.000 1.843 96 N CA -0.315 52.799 53.050 0.107 0.000 0.945 96 N CB 1.172 39.696 38.487 0.061 0.000 1.299 96 N HN 0.331 8.711 8.380 -0.000 0.000 0.489 97 S N 0.022 115.814 115.700 0.153 0.000 2.558 97 S HA 0.258 4.729 4.470 0.001 0.000 0.277 97 S C -0.018 174.672 174.600 0.150 0.000 1.143 97 S CA -0.635 57.637 58.200 0.121 0.000 0.865 97 S CB 1.878 65.133 63.200 0.091 0.000 1.102 97 S HN 0.388 8.698 8.310 -0.000 0.000 0.454 98 R N 0.857 121.393 120.500 0.059 0.000 2.246 98 R HA 0.133 4.473 4.340 0.001 0.000 0.199 98 R C 0.104 176.327 176.300 -0.128 0.000 0.984 98 R CA 0.564 56.634 56.100 -0.051 0.000 1.015 98 R CB -0.013 30.226 30.300 -0.100 0.000 0.930 98 R HN 0.588 8.858 8.270 -0.000 0.000 0.475 99 T N 1.646 116.188 114.554 -0.020 0.000 2.814 99 T HA 0.019 4.369 4.350 0.001 0.000 0.297 99 T C -0.429 174.314 174.700 0.071 0.000 0.956 99 T CA -0.149 61.938 62.100 -0.021 0.000 1.123 99 T CB 0.787 69.650 68.868 -0.008 0.000 0.902 99 T HN 0.052 8.292 8.240 -0.000 0.000 0.528 100 D N 3.612 124.046 120.400 0.057 0.000 2.533 100 D HA 0.028 4.668 4.640 0.001 0.000 0.236 100 D C 0.256 176.692 176.300 0.227 0.000 1.137 100 D CA 0.845 54.956 54.000 0.185 0.000 0.867 100 D CB 0.595 41.461 40.800 0.110 0.000 1.170 100 D HN 0.366 8.736 8.370 -0.000 0.000 0.474 101 K N 3.440 124.060 120.400 0.367 0.000 2.426 101 K HA 0.401 4.722 4.320 0.001 0.000 0.251 101 K C -2.985 173.904 176.600 0.482 0.000 0.941 101 K CA -2.032 54.479 56.287 0.373 0.000 0.808 101 K CB 2.121 34.752 32.500 0.219 0.000 1.265 101 K HN -0.050 8.200 8.250 -0.000 0.000 0.432 102 P HA -0.106 4.314 4.420 -0.000 0.000 0.261 102 P C -0.882 176.547 177.300 0.215 0.000 1.173 102 P CA 0.169 63.350 63.100 0.134 0.000 0.760 102 P CB 0.156 31.893 31.700 0.062 0.000 0.783 103 W N 7.773 129.016 121.300 -0.096 0.000 2.481 103 W HA 0.206 4.866 4.660 0.001 0.000 0.320 103 W C -2.339 174.115 176.519 -0.108 0.000 1.209 103 W CA -2.628 54.709 57.345 -0.013 0.000 1.400 103 W CB 0.987 30.326 29.460 -0.201 0.000 1.361 103 W HN 0.338 8.518 8.180 -0.000 0.000 0.456 104 P HA 0.102 4.522 4.420 -0.000 0.000 0.219 104 P C -0.665 176.308 177.300 -0.545 0.000 1.832 104 P CA 0.153 63.001 63.100 -0.420 0.000 1.014 104 P CB 0.499 31.958 31.700 -0.402 0.000 1.939 105 V N 1.346 120.908 119.914 -0.587 0.000 2.581 105 V HA 0.847 4.968 4.120 0.001 0.000 0.303 105 V C 0.122 176.032 176.094 -0.307 0.000 1.041 105 V CA -0.762 61.261 62.300 -0.461 0.000 0.907 105 V CB 1.863 33.221 31.823 -0.775 0.000 0.994 105 V HN 0.460 8.650 8.190 -0.000 0.000 0.442 106 A N 4.612 127.310 122.820 -0.203 0.000 2.540 106 A HA 0.799 5.119 4.320 0.001 0.000 0.297 106 A C -1.839 175.611 177.584 -0.224 0.000 1.056 106 A CA -0.478 51.424 52.037 -0.226 0.000 0.700 106 A CB 1.357 20.236 19.000 -0.202 0.000 1.280 106 A HN 0.543 8.693 8.150 -0.000 0.000 0.398 107 L N 1.864 122.871 121.223 -0.361 0.000 2.295 107 L HA 0.463 4.804 4.340 0.001 0.000 0.285 107 L C -0.991 175.650 176.870 -0.381 0.000 1.035 107 L CA -0.387 54.243 54.840 -0.351 0.000 0.806 107 L CB 0.292 42.063 42.059 -0.480 0.000 1.214 107 L HN 0.650 8.880 8.230 -0.000 0.000 0.426 108 Y N 4.323 124.557 120.300 -0.110 0.000 2.721 108 Y HA 0.503 5.054 4.550 0.001 0.000 0.328 108 Y C -0.230 175.672 175.900 0.003 0.000 1.003 108 Y CA -0.396 57.675 58.100 -0.047 0.000 1.275 108 Y CB 0.735 39.178 38.460 -0.030 0.000 1.097 108 Y HN 0.342 8.622 8.280 -0.000 0.000 0.514 109 L N 3.587 124.848 121.223 0.063 0.000 2.287 109 L HA 0.625 4.966 4.340 0.001 0.000 0.287 109 L C -0.244 176.802 176.870 0.294 0.000 1.022 109 L CA -0.615 54.302 54.840 0.128 0.000 0.814 109 L CB 1.552 43.537 42.059 -0.124 0.000 1.217 109 L HN 0.407 8.637 8.230 -0.000 0.000 0.420 110 T N 1.713 116.479 114.554 0.354 0.000 2.786 110 T HA 0.451 4.802 4.350 0.001 0.000 0.283 110 T C -2.646 172.191 174.700 0.229 0.000 0.992 110 T CA -1.864 60.399 62.100 0.271 0.000 0.954 110 T CB 1.460 70.415 68.868 0.146 0.000 0.934 110 T HN 0.266 8.506 8.240 -0.000 0.000 0.440 111 P HA 0.239 4.659 4.420 -0.000 0.000 0.275 111 P C -0.022 177.169 177.300 -0.183 0.000 1.228 111 P CA -0.510 62.330 63.100 -0.433 0.000 0.786 111 P CB 0.750 32.114 31.700 -0.561 0.000 0.927 112 V N 0.117 119.919 119.914 -0.187 0.000 2.509 112 V HA 0.224 4.345 4.120 0.001 0.000 0.284 112 V C 1.689 177.724 176.094 -0.098 0.000 1.047 112 V CA 0.203 62.445 62.300 -0.096 0.000 0.952 112 V CB 0.409 32.190 31.823 -0.071 0.000 0.988 112 V HN 0.684 8.874 8.190 -0.000 0.000 0.469 113 S N 2.658 118.321 115.700 -0.060 0.000 2.428 113 S HA -0.241 4.229 4.470 0.001 0.000 0.240 113 S C 1.690 176.259 174.600 -0.050 0.000 1.036 113 S CA 1.860 60.028 58.200 -0.053 0.000 1.009 113 S CB -1.050 62.132 63.200 -0.031 0.000 0.803 113 S HN 1.770 10.080 8.310 -0.000 0.000 0.486 114 S N 1.032 116.706 115.700 -0.044 0.000 2.603 114 S HA 0.584 5.054 4.470 0.001 0.000 0.220 114 S C 0.606 175.175 174.600 -0.050 0.000 0.967 114 S CA -0.142 58.039 58.200 -0.033 0.000 0.920 114 S CB -0.494 62.696 63.200 -0.016 0.000 0.773 114 S HN 0.846 9.156 8.310 -0.000 0.000 0.529 115 A N -0.102 122.665 122.820 -0.089 0.000 2.264 115 A HA 0.780 5.100 4.320 0.001 0.000 0.304 115 A C 1.050 178.582 177.584 -0.086 0.000 1.100 115 A CA -0.232 51.734 52.037 -0.118 0.000 0.839 115 A CB 0.598 19.452 19.000 -0.244 0.000 1.121 115 A HN 1.090 9.240 8.150 -0.000 0.000 0.496 116 G N -1.366 107.397 108.800 -0.063 0.000 4.080 116 G HA2 0.283 4.244 3.960 0.001 0.000 0.219 116 G HA3 0.283 4.244 3.960 0.001 0.000 0.219 116 G C 0.583 175.477 174.900 -0.010 0.000 0.843 116 G CA 0.734 45.812 45.100 -0.036 0.000 0.856 116 G HN 1.417 9.707 8.290 -0.000 0.000 0.616 117 G N 0.174 108.974 108.800 0.000 0.000 2.992 117 G HA2 0.427 4.388 3.960 0.001 0.000 0.201 117 G HA3 0.427 4.388 3.960 0.001 0.000 0.201 117 G C -0.101 174.817 174.900 0.031 0.000 2.057 117 G CA 0.490 45.601 45.100 0.018 0.000 0.800 117 G HN 0.614 8.904 8.290 -0.000 0.000 0.700 118 V N 2.182 122.121 119.914 0.042 0.000 2.258 118 V HA 0.441 4.562 4.120 0.001 0.000 0.258 118 V C 1.468 177.611 176.094 0.081 0.000 1.121 118 V CA 0.032 62.369 62.300 0.062 0.000 0.942 118 V CB 0.100 31.959 31.823 0.061 0.000 1.170 118 V HN 0.724 8.914 8.190 -0.000 0.000 0.487 119 A N 5.303 128.179 122.820 0.094 0.000 1.873 119 A HA -0.068 4.253 4.320 0.001 0.000 0.218 119 A C 0.934 178.656 177.584 0.232 0.000 1.193 119 A CA 1.573 53.697 52.037 0.146 0.000 0.629 119 A CB -0.138 18.948 19.000 0.142 0.000 0.826 119 A HN 0.595 8.745 8.150 -0.000 0.000 0.447 120 I N -0.930 119.775 120.570 0.224 0.000 2.406 120 I HA 0.268 4.438 4.170 0.001 0.000 0.290 120 I C -0.215 175.976 176.117 0.124 0.000 0.999 120 I CA -0.524 60.879 61.300 0.172 0.000 1.124 120 I CB 1.955 40.044 38.000 0.148 0.000 1.289 120 I HN 0.061 8.271 8.210 -0.000 0.000 0.441 121 K N 5.634 126.101 120.400 0.113 0.000 2.316 121 K HA 0.521 4.842 4.320 0.001 0.000 0.289 121 K C -0.001 176.661 176.600 0.103 0.000 1.070 121 K CA -0.266 56.080 56.287 0.098 0.000 0.928 121 K CB 0.775 33.331 32.500 0.092 0.000 1.039 121 K HN 0.676 8.926 8.250 -0.000 0.000 0.480 122 A N 3.421 126.295 122.820 0.090 0.000 2.598 122 A HA 0.297 4.617 4.320 0.001 0.000 0.239 122 A C 1.331 178.982 177.584 0.112 0.000 1.032 122 A CA 1.085 53.178 52.037 0.094 0.000 0.760 122 A CB -0.721 18.323 19.000 0.073 0.000 0.946 122 A HN 1.142 9.292 8.150 -0.000 0.000 0.512 123 G N 1.251 110.141 108.800 0.149 0.000 2.217 123 G HA2 -0.157 3.804 3.960 0.001 0.000 0.246 123 G HA3 -0.157 3.804 3.960 0.001 0.000 0.246 123 G C 0.578 175.646 174.900 0.280 0.000 0.990 123 G CA 0.831 46.043 45.100 0.186 0.000 0.627 123 G HN 2.273 10.563 8.290 -0.000 0.000 0.522 124 S N 0.632 116.475 115.700 0.238 0.000 2.584 124 S HA 0.670 5.141 4.470 0.001 0.000 0.273 124 S C 0.404 175.089 174.600 0.142 0.000 1.311 124 S CA -0.544 57.785 58.200 0.216 0.000 1.034 124 S CB 2.080 65.359 63.200 0.131 0.000 0.939 124 S HN 1.323 9.633 8.310 -0.000 0.000 0.513 125 L N 3.422 124.621 121.223 -0.040 0.000 2.700 125 L HA 0.100 4.441 4.340 0.001 0.000 0.276 125 L C 0.796 177.571 176.870 -0.158 0.000 1.200 125 L CA 0.405 54.959 54.840 -0.475 0.000 0.951 125 L CB -0.759 41.069 42.059 -0.386 0.000 1.226 125 L HN 0.899 9.129 8.230 -0.000 0.000 0.489 126 I N 3.803 124.292 120.570 -0.135 0.000 2.296 126 I HA 0.110 4.280 4.170 0.001 0.000 0.242 126 I C 0.895 177.095 176.117 0.139 0.000 1.087 126 I CA 0.944 62.251 61.300 0.012 0.000 1.393 126 I CB 0.027 38.015 38.000 -0.021 0.000 1.093 126 I HN 0.784 8.994 8.210 -0.000 0.000 0.421 127 A N -0.345 122.536 122.820 0.102 0.000 2.612 127 A HA 0.661 4.982 4.320 0.001 0.000 0.293 127 A C -1.455 176.258 177.584 0.215 0.000 1.075 127 A CA -0.358 51.842 52.037 0.272 0.000 0.680 127 A CB 1.581 20.749 19.000 0.281 0.000 1.279 127 A HN -0.154 7.996 8.150 -0.000 0.000 0.411 128 V N 1.765 121.887 119.914 0.346 0.000 2.407 128 V HA 0.467 4.587 4.120 0.001 0.000 0.291 128 V C -0.683 175.601 176.094 0.317 0.000 1.018 128 V CA -0.187 62.275 62.300 0.270 0.000 0.842 128 V CB 1.124 33.103 31.823 0.260 0.000 0.996 128 V HN 0.676 8.866 8.190 -0.000 0.000 0.426 129 L N 6.077 127.508 121.223 0.347 0.000 2.305 129 L HA 0.599 4.940 4.340 0.001 0.000 0.284 129 L C -0.514 176.634 176.870 0.463 0.000 1.013 129 L CA -0.382 54.712 54.840 0.424 0.000 0.819 129 L CB 1.898 44.265 42.059 0.514 0.000 1.227 129 L HN 0.473 8.703 8.230 -0.000 0.000 0.417 130 I N 4.803 125.592 120.570 0.365 0.000 2.307 130 I HA 0.266 4.437 4.170 0.001 0.000 0.289 130 I C -0.244 176.082 176.117 0.348 0.000 1.021 130 I CA -0.434 61.037 61.300 0.286 0.000 1.224 130 I CB 1.781 39.884 38.000 0.172 0.000 1.376 130 I HN 0.472 8.682 8.210 -0.000 0.000 0.470 131 L N 7.991 129.408 121.223 0.324 0.000 2.265 131 L HA 0.458 4.798 4.340 0.001 0.000 0.288 131 L C -0.107 176.897 176.870 0.223 0.000 1.058 131 L CA -0.335 54.615 54.840 0.183 0.000 0.809 131 L CB 0.529 42.410 42.059 -0.297 0.000 1.179 131 L HN 0.613 8.843 8.230 -0.000 0.000 0.429 132 R N 5.175 125.791 120.500 0.193 0.000 2.393 132 R HA 0.340 4.681 4.340 0.001 0.000 0.315 132 R C -1.166 175.184 176.300 0.084 0.000 0.952 132 R CA -0.577 55.619 56.100 0.161 0.000 0.842 132 R CB 1.265 31.631 30.300 0.110 0.000 1.163 132 R HN 0.687 8.957 8.270 -0.000 0.000 0.450 133 Q N 3.622 123.464 119.800 0.070 0.000 2.322 133 Q HA 0.305 4.645 4.340 0.001 0.000 0.265 133 Q C -1.036 174.933 176.000 -0.053 0.000 0.985 133 Q CA -0.347 55.393 55.803 -0.106 0.000 0.849 133 Q CB 1.941 30.533 28.738 -0.244 0.000 1.274 133 Q HN 0.900 9.170 8.270 -0.000 0.000 0.449 134 T N 0.856 115.385 114.554 -0.042 0.000 2.678 134 T HA 0.733 5.084 4.350 0.001 0.000 0.260 134 T C -0.398 174.318 174.700 0.027 0.000 0.932 134 T CA -0.641 61.461 62.100 0.004 0.000 1.043 134 T CB 1.181 70.092 68.868 0.072 0.000 1.413 134 T HN 0.767 9.007 8.240 -0.000 0.000 0.568 135 N N -1.295 117.467 118.700 0.104 0.000 3.179 135 N HA 0.210 4.951 4.740 0.001 0.000 0.250 135 N C -1.067 174.512 175.510 0.115 0.000 1.507 135 N CA -0.841 52.191 53.050 -0.030 0.000 0.883 135 N CB 0.130 38.617 38.487 0.000 0.000 1.435 135 N HN 0.829 9.209 8.380 -0.000 0.000 0.532 136 N N -1.889 116.814 118.700 0.006 0.000 2.295 136 N HA 0.085 4.826 4.740 0.001 0.000 0.221 136 N C -0.380 175.228 175.510 0.163 0.000 1.129 136 N CA -0.475 52.672 53.050 0.162 0.000 0.836 136 N CB 0.127 38.697 38.487 0.138 0.000 1.040 136 N HN 0.438 8.818 8.380 -0.000 0.000 0.494 137 Y N 2.166 122.482 120.300 0.026 0.000 2.662 137 Y HA 0.226 4.777 4.550 0.002 0.000 0.205 137 Y C 0.837 176.754 175.900 0.028 0.000 0.979 137 Y CA 0.313 58.431 58.100 0.030 0.000 1.320 137 Y CB -0.190 38.294 38.460 0.039 0.000 1.075 137 Y HN 0.168 8.448 8.280 -0.000 0.000 0.472 138 N N -0.862 117.907 118.700 0.114 0.000 2.645 138 N HA 0.176 4.916 4.740 0.001 0.000 0.308 138 N C -0.070 175.456 175.510 0.027 0.000 1.335 138 N CA 0.084 53.133 53.050 -0.001 0.000 0.909 138 N CB 0.622 39.153 38.487 0.072 0.000 1.109 138 N HN 0.217 8.597 8.380 -0.000 0.000 0.555 139 S N -1.712 113.985 115.700 -0.004 0.000 2.685 139 S HA 0.125 4.596 4.470 0.001 0.000 0.240 139 S C -0.918 173.616 174.600 -0.110 0.000 0.967 139 S CA -0.792 57.385 58.200 -0.038 0.000 1.009 139 S CB -1.308 61.870 63.200 -0.037 0.000 0.776 139 S HN 0.533 8.843 8.310 -0.000 0.000 0.467 140 D N 1.625 121.932 120.400 -0.155 0.000 2.382 140 D HA 0.420 5.061 4.640 0.001 0.000 0.240 140 D C -0.269 175.702 176.300 -0.548 0.000 1.146 140 D CA 0.064 53.764 54.000 -0.500 0.000 0.897 140 D CB 0.252 40.634 40.800 -0.696 0.000 1.197 140 D HN 0.165 8.535 8.370 -0.000 0.000 0.432 141 D N 0.461 120.323 120.400 -0.898 0.000 2.445 141 D HA 0.169 4.810 4.640 0.001 0.000 0.236 141 D C -1.723 174.390 176.300 -0.312 0.000 1.315 141 D CA -0.405 53.334 54.000 -0.435 0.000 0.924 141 D CB -0.275 40.398 40.800 -0.211 0.000 1.447 141 D HN 0.280 8.650 8.370 -0.000 0.000 0.532 142 F N 1.003 121.009 119.950 0.095 0.000 2.480 142 F HA 0.481 5.009 4.527 0.001 0.000 0.329 142 F C 0.769 176.660 175.800 0.153 0.000 1.091 142 F CA -0.927 57.127 58.000 0.089 0.000 0.972 142 F CB 1.893 40.979 39.000 0.143 0.000 1.150 142 F HN -0.133 8.167 8.300 -0.000 0.000 0.467 143 Q N 2.706 122.644 119.800 0.229 0.000 2.322 143 Q HA 0.410 4.750 4.340 0.001 0.000 0.265 143 Q C -1.565 174.392 176.000 -0.071 0.000 0.985 143 Q CA -0.699 55.194 55.803 0.151 0.000 0.849 143 Q CB 1.932 30.711 28.738 0.068 0.000 1.274 143 Q HN 0.435 8.705 8.270 -0.000 0.000 0.449 144 F N 1.843 121.734 119.950 -0.099 0.000 2.308 144 F HA 0.299 4.826 4.527 0.001 0.000 0.370 144 F C -0.213 175.266 175.800 -0.535 0.000 1.100 144 F CA -0.940 56.854 58.000 -0.343 0.000 1.108 144 F CB 0.888 39.742 39.000 -0.242 0.000 1.293 144 F HN 0.186 8.486 8.300 -0.000 0.000 0.478 145 V N 3.045 122.683 119.914 -0.461 0.000 2.406 145 V HA 0.154 4.275 4.120 0.001 0.000 0.272 145 V C -0.829 174.916 176.094 -0.582 0.000 1.043 145 V CA -0.851 61.240 62.300 -0.349 0.000 0.915 145 V CB 0.355 32.066 31.823 -0.186 0.000 0.988 145 V HN 0.619 8.809 8.190 -0.000 0.000 0.466 146 W N 4.370 125.694 121.300 0.040 0.000 2.278 146 W HA 0.491 5.151 4.660 0.001 0.000 0.317 146 W C 0.207 176.750 176.519 0.041 0.000 1.030 146 W CA -0.680 56.687 57.345 0.037 0.000 1.334 146 W CB 0.517 30.015 29.460 0.064 0.000 1.215 146 W HN 0.418 8.598 8.180 -0.000 0.000 0.405 147 N N 4.593 123.394 118.700 0.168 0.000 2.420 147 N HA 0.283 5.023 4.740 0.001 0.000 0.249 147 N C -0.495 175.026 175.510 0.019 0.000 1.033 147 N CA -0.297 52.783 53.050 0.050 0.000 0.944 147 N CB 1.450 39.988 38.487 0.085 0.000 1.113 147 N HN 0.236 8.616 8.380 -0.000 0.000 0.502 148 I N 2.861 123.375 120.570 -0.093 0.000 2.353 148 I HA 0.307 4.477 4.170 0.001 0.000 0.293 148 I C -0.457 175.503 176.117 -0.261 0.000 0.992 148 I CA -0.437 60.824 61.300 -0.064 0.000 1.268 148 I CB 0.095 38.100 38.000 0.008 0.000 1.387 148 I HN 0.291 8.501 8.210 -0.000 0.000 0.478 149 Y N 3.112 123.371 120.300 -0.068 0.000 2.425 149 Y HA 0.578 5.128 4.550 0.001 0.000 0.344 149 Y C 0.530 176.469 175.900 0.066 0.000 0.969 149 Y CA -0.908 57.193 58.100 0.001 0.000 1.052 149 Y CB 1.961 40.434 38.460 0.021 0.000 1.215 149 Y HN 0.665 8.945 8.280 -0.000 0.000 0.451 150 A N 2.178 125.129 122.820 0.219 0.000 2.477 150 A HA 0.141 4.461 4.320 0.001 0.000 0.246 150 A C 0.737 178.444 177.584 0.206 0.000 1.078 150 A CA -0.220 51.915 52.037 0.163 0.000 0.770 150 A CB 0.208 19.276 19.000 0.112 0.000 1.011 150 A HN 0.908 9.058 8.150 -0.000 0.000 0.494 151 N N 0.769 119.566 118.700 0.162 0.000 2.333 151 N HA -0.026 4.714 4.740 0.001 0.000 0.178 151 N C -0.209 175.357 175.510 0.094 0.000 1.018 151 N CA 1.025 54.158 53.050 0.138 0.000 0.882 151 N CB -0.015 38.537 38.487 0.109 0.000 0.984 151 N HN 0.877 9.257 8.380 -0.000 0.000 0.434 152 N N -0.056 118.695 118.700 0.084 0.000 2.242 152 N HA 0.134 4.875 4.740 0.001 0.000 0.292 152 N C -1.373 174.179 175.510 0.071 0.000 1.125 152 N CA -0.551 52.539 53.050 0.067 0.000 0.783 152 N CB 1.071 39.589 38.487 0.052 0.000 1.558 152 N HN -0.259 8.121 8.380 -0.000 0.000 0.472 153 D N 0.238 120.679 120.400 0.069 0.000 2.601 153 D HA 0.036 4.677 4.640 0.001 0.000 0.229 153 D C -0.117 176.229 176.300 0.077 0.000 1.140 153 D CA 0.459 54.504 54.000 0.075 0.000 0.862 153 D CB 0.775 41.614 40.800 0.065 0.000 1.192 153 D HN 0.260 8.630 8.370 -0.000 0.000 0.480 154 V N 2.689 122.662 119.914 0.098 0.000 2.459 154 V HA 0.314 4.434 4.120 0.001 0.000 0.295 154 V C 0.431 176.595 176.094 0.116 0.000 1.029 154 V CA -0.813 61.553 62.300 0.110 0.000 0.874 154 V CB 1.979 33.892 31.823 0.150 0.000 0.985 154 V HN 0.213 8.403 8.190 -0.000 0.000 0.438 155 V N 5.074 125.043 119.914 0.090 0.000 2.547 155 V HA 0.489 4.609 4.120 0.001 0.000 0.299 155 V C -0.192 175.941 176.094 0.064 0.000 1.040 155 V CA -0.573 61.769 62.300 0.071 0.000 0.913 155 V CB 2.161 34.013 31.823 0.049 0.000 0.992 155 V HN 0.623 8.813 8.190 -0.000 0.000 0.449 156 V N 6.333 126.268 119.914 0.035 0.000 2.370 156 V HA 0.378 4.498 4.120 0.001 0.000 0.283 156 V C -2.418 173.673 176.094 -0.005 0.000 1.023 156 V CA -2.009 60.293 62.300 0.004 0.000 0.857 156 V CB 1.750 33.539 31.823 -0.056 0.000 0.985 156 V HN 0.772 8.962 8.190 -0.000 0.000 0.443 157 P HA 0.159 4.579 4.420 -0.000 0.000 0.281 157 P C 0.087 177.372 177.300 -0.025 0.000 1.286 157 P CA 0.015 63.109 63.100 -0.010 0.000 0.772 157 P CB 0.507 32.203 31.700 -0.008 0.000 0.862 158 T N 2.498 117.040 114.554 -0.020 0.000 2.928 158 T HA 0.390 4.740 4.350 0.001 0.000 0.305 158 T C 0.722 175.395 174.700 -0.045 0.000 1.035 158 T CA 0.017 62.101 62.100 -0.026 0.000 1.145 158 T CB -0.190 68.675 68.868 -0.005 0.000 0.963 158 T HN 0.418 8.658 8.240 -0.000 0.000 0.545 159 G N 2.647 111.408 108.800 -0.065 0.000 2.531 159 G HA2 0.636 4.597 3.960 0.001 0.000 0.313 159 G HA3 0.636 4.597 3.960 0.001 0.000 0.313 159 G C 0.507 175.325 174.900 -0.137 0.000 1.238 159 G CA -0.491 44.544 45.100 -0.109 0.000 0.994 159 G HN 1.059 9.349 8.290 -0.000 0.000 0.493 160 G N -1.810 106.840 108.800 -0.250 0.000 2.647 160 G HA2 0.367 4.327 3.960 0.001 0.000 0.271 160 G HA3 0.367 4.327 3.960 0.001 0.000 0.271 160 G C -0.031 174.818 174.900 -0.085 0.000 1.300 160 G CA 0.101 45.009 45.100 -0.320 0.000 0.997 160 G HN 0.790 9.080 8.290 -0.000 0.000 0.533 161 c N -1.135 117.497 118.600 0.054 0.000 2.407 161 c HA 0.519 5.090 4.570 0.001 0.000 0.366 161 c C 0.097 174.076 174.090 -0.185 0.000 1.213 161 c CA -0.831 55.455 56.329 -0.073 0.000 2.011 161 c CB 1.644 44.166 42.510 0.020 0.000 2.306 161 c HN 0.693 8.923 8.230 -0.000 0.000 0.527 162 D N 1.133 121.324 120.400 -0.349 0.000 2.274 162 D HA 0.349 4.990 4.640 0.001 0.000 0.239 162 D C -0.486 175.712 176.300 -0.170 0.000 1.104 162 D CA 0.073 53.906 54.000 -0.278 0.000 0.840 162 D CB 1.465 42.057 40.800 -0.345 0.000 1.100 162 D HN 0.467 8.837 8.370 -0.000 0.000 0.477 163 V N 1.959 121.738 119.914 -0.224 0.000 2.184 163 V HA 0.207 4.327 4.120 0.001 0.000 0.262 163 V C 0.610 176.597 176.094 -0.178 0.000 1.209 163 V CA -0.951 61.146 62.300 -0.338 0.000 1.070 163 V CB 0.350 31.798 31.823 -0.626 0.000 1.244 163 V HN 0.391 8.581 8.190 -0.000 0.000 0.477 164 S N 3.177 118.833 115.700 -0.073 0.000 2.519 164 S HA 0.501 4.972 4.470 0.001 0.000 0.310 164 S C 1.314 175.889 174.600 -0.041 0.000 1.201 164 S CA 0.301 58.481 58.200 -0.033 0.000 1.179 164 S CB 0.379 63.582 63.200 0.006 0.000 1.104 164 S HN 1.078 9.388 8.310 -0.000 0.000 0.527 165 A N 6.884 129.681 122.820 -0.039 0.000 1.861 165 A HA 0.067 4.388 4.320 0.001 0.000 0.214 165 A C 1.950 179.519 177.584 -0.025 0.000 1.322 165 A CA 1.046 53.065 52.037 -0.030 0.000 0.601 165 A CB -0.654 18.330 19.000 -0.026 0.000 0.966 165 A HN 0.938 9.088 8.150 -0.000 0.000 0.471 166 R N 0.177 120.664 120.500 -0.022 0.000 2.527 166 R HA -0.294 4.046 4.340 0.001 0.000 0.132 166 R C -0.272 176.018 176.300 -0.017 0.000 0.631 166 R CA 2.440 58.529 56.100 -0.019 0.000 0.194 166 R CB -2.067 28.222 30.300 -0.018 0.000 0.586 166 R HN 0.871 9.141 8.270 -0.000 0.000 0.227 167 D N -2.502 117.887 120.400 -0.018 0.000 2.742 167 D HA 0.276 4.917 4.640 0.001 0.000 0.262 167 D C -0.495 175.793 176.300 -0.019 0.000 1.240 167 D CA -0.319 53.671 54.000 -0.016 0.000 0.752 167 D CB 1.051 41.844 40.800 -0.012 0.000 1.290 167 D HN 0.031 8.401 8.370 -0.000 0.000 0.420 168 V N -0.243 119.658 119.914 -0.021 0.000 3.932 168 V HA -0.118 4.002 4.120 0.001 0.000 0.535 168 V C -0.463 175.621 176.094 -0.016 0.000 0.690 168 V CA 1.540 63.830 62.300 -0.017 0.000 2.073 168 V CB -0.554 31.264 31.823 -0.008 0.000 2.455 168 V HN 0.913 9.103 8.190 -0.000 0.000 0.518 169 T N 5.747 120.290 114.554 -0.018 0.000 2.881 169 T HA 0.556 4.906 4.350 0.001 0.000 0.290 169 T C -0.380 174.315 174.700 -0.009 0.000 1.000 169 T CA -0.587 61.501 62.100 -0.019 0.000 0.978 169 T CB 1.799 70.646 68.868 -0.035 0.000 0.997 169 T HN 0.627 8.867 8.240 -0.000 0.000 0.443 170 V N 3.330 123.245 119.914 0.002 0.000 2.530 170 V HA 0.386 4.506 4.120 0.001 0.000 0.282 170 V C 0.676 176.779 176.094 0.014 0.000 1.048 170 V CA -0.429 61.883 62.300 0.019 0.000 0.997 170 V CB 0.972 32.813 31.823 0.030 0.000 0.987 170 V HN 0.927 9.117 8.190 -0.000 0.000 0.477 171 T N 6.260 120.829 114.554 0.026 0.000 2.829 171 T HA 0.645 4.996 4.350 0.001 0.000 0.282 171 T C -0.141 174.621 174.700 0.105 0.000 0.990 171 T CA -0.399 61.693 62.100 -0.013 0.000 1.028 171 T CB 1.063 69.880 68.868 -0.085 0.000 0.951 171 T HN 0.433 8.673 8.240 -0.000 0.000 0.460 172 L N 4.364 125.642 121.223 0.091 0.000 2.453 172 L HA 0.383 4.724 4.340 0.001 0.000 0.261 172 L C -1.528 175.588 176.870 0.411 0.000 1.179 172 L CA -1.616 53.355 54.840 0.218 0.000 0.813 172 L CB -0.326 41.838 42.059 0.174 0.000 1.110 172 L HN 0.335 8.565 8.230 -0.000 0.000 0.466 173 P HA 0.021 4.441 4.420 -0.000 0.000 0.235 173 P C 0.284 177.733 177.300 0.248 0.000 1.177 173 P CA 0.514 63.787 63.100 0.288 0.000 0.785 173 P CB 0.207 31.997 31.700 0.150 0.000 0.885 174 D N -1.611 118.918 120.400 0.214 0.000 2.310 174 D HA -0.136 4.505 4.640 0.001 0.000 0.212 174 D C 0.226 176.675 176.300 0.247 0.000 0.965 174 D CA 0.756 54.842 54.000 0.144 0.000 0.879 174 D CB -0.554 40.313 40.800 0.112 0.000 0.921 174 D HN 0.081 8.451 8.370 -0.000 0.000 0.510 175 Y N -1.710 118.609 120.300 0.031 0.000 4.943 175 Y HA -0.192 4.359 4.550 0.001 0.000 0.258 175 Y C -1.135 174.812 175.900 0.079 0.000 0.930 175 Y CA 0.361 58.447 58.100 -0.023 0.000 1.902 175 Y CB -2.280 36.090 38.460 -0.149 0.000 1.386 175 Y HN 0.273 8.553 8.280 -0.000 0.000 0.558 176 P HA 0.255 4.675 4.420 -0.000 0.000 0.229 176 P C 1.360 178.737 177.300 0.129 0.000 1.160 176 P CA 1.176 64.359 63.100 0.138 0.000 0.855 176 P CB 0.103 31.867 31.700 0.106 0.000 0.898 177 G N 0.480 109.372 108.800 0.153 0.000 3.483 177 G HA2 0.057 4.018 3.960 0.001 0.000 0.255 177 G HA3 0.057 4.018 3.960 0.001 0.000 0.255 177 G C -0.225 174.702 174.900 0.045 0.000 1.284 177 G CA 0.336 45.507 45.100 0.119 0.000 0.913 177 G HN 0.301 8.591 8.290 -0.000 0.000 0.633 178 S N -0.816 114.891 115.700 0.012 0.000 2.828 178 S HA 0.189 4.659 4.470 0.001 0.000 0.149 178 S C -0.306 174.281 174.600 -0.022 0.000 0.924 178 S CA -0.423 57.769 58.200 -0.013 0.000 1.044 178 S CB 0.244 63.447 63.200 0.005 0.000 1.595 178 S HN 1.099 9.409 8.310 -0.000 0.000 0.454 179 V N 2.523 122.408 119.914 -0.049 0.000 2.381 179 V HA 0.380 4.500 4.120 0.001 0.000 0.257 179 V C -2.130 173.940 176.094 -0.039 0.000 1.057 179 V CA -2.033 60.242 62.300 -0.041 0.000 1.013 179 V CB -0.525 31.262 31.823 -0.060 0.000 1.069 179 V HN 0.431 8.621 8.190 -0.000 0.000 0.484 180 P HA 0.126 4.546 4.420 -0.000 0.000 0.262 180 P C -0.419 176.863 177.300 -0.031 0.000 1.182 180 P CA 0.287 63.373 63.100 -0.023 0.000 0.761 180 P CB 0.666 32.357 31.700 -0.015 0.000 0.795 181 I N 6.146 126.694 120.570 -0.037 0.000 2.331 181 I HA 0.233 4.404 4.170 0.001 0.000 0.292 181 I C -1.880 174.214 176.117 -0.039 0.000 0.998 181 I CA -2.545 58.730 61.300 -0.043 0.000 1.267 181 I CB 0.628 38.595 38.000 -0.055 0.000 1.386 181 I HN 0.123 8.333 8.210 -0.000 0.000 0.476 182 P HA 0.132 4.552 4.420 -0.000 0.000 0.254 182 P C -1.002 176.279 177.300 -0.032 0.000 1.186 182 P CA 0.517 63.599 63.100 -0.029 0.000 0.868 182 P CB 0.036 31.720 31.700 -0.026 0.000 0.856 183 L N 3.040 124.244 121.223 -0.032 0.000 2.676 183 L HA 0.290 4.631 4.340 0.001 0.000 0.262 183 L C -0.122 176.736 176.870 -0.020 0.000 0.965 183 L CA -0.279 54.544 54.840 -0.028 0.000 0.920 183 L CB 2.031 44.069 42.059 -0.034 0.000 1.260 183 L HN 0.247 8.477 8.230 -0.000 0.000 0.422 184 T N 0.140 114.684 114.554 -0.018 0.000 2.932 184 T HA 0.834 5.184 4.350 0.001 0.000 0.289 184 T C -0.357 174.335 174.700 -0.013 0.000 1.039 184 T CA -0.841 61.257 62.100 -0.004 0.000 1.024 184 T CB 2.312 71.178 68.868 -0.003 0.000 1.090 184 T HN 0.269 8.509 8.240 -0.000 0.000 0.496 185 V N -0.063 119.862 119.914 0.020 0.000 2.709 185 V HA 0.842 4.963 4.120 0.001 0.000 0.308 185 V C -1.190 174.979 176.094 0.125 0.000 1.062 185 V CA -1.427 60.877 62.300 0.007 0.000 0.901 185 V CB 0.925 32.730 31.823 -0.029 0.000 1.003 185 V HN 1.164 9.354 8.190 -0.000 0.000 0.425 186 Y N 1.900 122.165 120.300 -0.057 0.000 2.477 186 Y HA 0.892 5.443 4.550 0.001 0.000 0.347 186 Y C -0.833 175.059 175.900 -0.012 0.000 0.981 186 Y CA -0.985 57.099 58.100 -0.027 0.000 1.033 186 Y CB 1.834 40.278 38.460 -0.027 0.000 1.245 186 Y HN 0.791 9.071 8.280 -0.000 0.000 0.455 187 c N 3.722 122.316 118.600 -0.010 0.000 2.441 187 c HA 0.756 5.327 4.570 0.001 0.000 0.318 187 c C 1.384 175.455 174.090 -0.033 0.000 1.222 187 c CA -0.025 56.257 56.329 -0.079 0.000 1.474 187 c CB 0.862 43.380 42.510 0.013 0.000 2.125 187 c HN 1.163 9.393 8.230 -0.000 0.000 0.479 188 A N 2.014 124.786 122.820 -0.079 0.000 1.841 188 A HA -0.046 4.274 4.320 0.001 0.000 0.214 188 A C 1.197 178.784 177.584 0.006 0.000 1.195 188 A CA 1.603 53.635 52.037 -0.009 0.000 0.611 188 A CB -0.258 18.724 19.000 -0.030 0.000 0.835 188 A HN 0.692 8.842 8.150 -0.000 0.000 0.443 189 K N 1.703 122.098 120.400 -0.009 0.000 2.338 189 K HA 0.209 4.530 4.320 0.001 0.000 0.290 189 K C 0.123 176.741 176.600 0.030 0.000 1.069 189 K CA 0.155 56.448 56.287 0.009 0.000 0.941 189 K CB 0.038 32.540 32.500 0.003 0.000 1.023 189 K HN 0.383 8.633 8.250 -0.000 0.000 0.477 190 S N 4.285 120.005 115.700 0.033 0.000 2.525 190 S HA 0.154 4.625 4.470 0.001 0.000 0.285 190 S C -0.030 174.597 174.600 0.045 0.000 1.283 190 S CA 0.078 58.303 58.200 0.041 0.000 1.072 190 S CB 0.188 63.411 63.200 0.038 0.000 0.867 190 S HN 0.668 8.978 8.310 -0.000 0.000 0.492 191 Q N 2.520 122.351 119.800 0.052 0.000 2.776 191 Q HA 0.479 4.820 4.340 0.001 0.000 0.347 191 Q C -1.799 174.230 176.000 0.049 0.000 0.749 191 Q CA -1.218 54.620 55.803 0.058 0.000 0.866 191 Q CB 0.557 29.347 28.738 0.087 0.000 1.270 191 Q HN 0.572 8.842 8.270 -0.000 0.000 0.512 192 N N 0.139 118.866 118.700 0.046 0.000 2.314 192 N HA 0.662 5.403 4.740 0.001 0.000 0.294 192 N C -1.424 174.077 175.510 -0.014 0.000 1.029 192 N CA -0.286 52.778 53.050 0.023 0.000 0.845 192 N CB 1.820 40.323 38.487 0.025 0.000 1.321 192 N HN 0.493 8.873 8.380 -0.000 0.000 0.481 193 L N 0.350 121.554 121.223 -0.031 0.000 2.415 193 L HA 0.783 5.124 4.340 0.001 0.000 0.256 193 L C 0.074 176.924 176.870 -0.033 0.000 1.010 193 L CA -0.821 53.964 54.840 -0.092 0.000 0.826 193 L CB 2.541 44.552 42.059 -0.080 0.000 1.405 193 L HN 0.594 8.824 8.230 -0.000 0.000 0.410 194 G N 0.197 108.960 108.800 -0.060 0.000 2.733 194 G HA2 0.698 4.658 3.960 0.001 0.000 0.288 194 G HA3 0.698 4.658 3.960 0.001 0.000 0.288 194 G C -2.126 172.707 174.900 -0.113 0.000 1.373 194 G CA -0.369 44.689 45.100 -0.071 0.000 0.895 194 G HN 0.554 8.844 8.290 -0.000 0.000 0.479 195 Y N -1.583 118.564 120.300 -0.253 0.000 2.644 195 Y HA 0.839 5.390 4.550 0.001 0.000 0.338 195 Y C -1.298 174.502 175.900 -0.167 0.000 1.119 195 Y CA -2.236 55.575 58.100 -0.482 0.000 1.060 195 Y CB 1.770 39.705 38.460 -0.876 0.000 1.294 195 Y HN 1.040 9.320 8.280 -0.000 0.000 0.472 196 Y N -0.076 120.163 120.300 -0.102 0.000 2.521 196 Y HA 0.702 5.253 4.550 0.001 0.000 0.332 196 Y C -2.212 173.703 175.900 0.025 0.000 1.121 196 Y CA -2.138 55.916 58.100 -0.077 0.000 1.037 196 Y CB 0.854 39.262 38.460 -0.087 0.000 1.330 196 Y HN 0.786 9.066 8.280 -0.000 0.000 0.452 197 L N 3.943 125.333 121.223 0.278 0.000 2.375 197 L HA 0.786 5.127 4.340 0.001 0.000 0.271 197 L C 0.042 177.110 176.870 0.329 0.000 1.107 197 L CA -0.740 54.225 54.840 0.208 0.000 0.806 197 L CB 1.654 43.867 42.059 0.256 0.000 1.146 197 L HN 0.906 9.136 8.230 -0.000 0.000 0.447 198 S N 0.381 116.213 115.700 0.221 0.000 2.549 198 S HA 0.978 5.449 4.470 0.001 0.000 0.280 198 S C -0.441 174.299 174.600 0.233 0.000 1.109 198 S CA -0.356 58.000 58.200 0.260 0.000 0.905 198 S CB 2.358 65.670 63.200 0.187 0.000 1.081 198 S HN 1.138 9.448 8.310 -0.000 0.000 0.477 199 G N 0.706 109.700 108.800 0.324 0.000 2.345 199 G HA2 0.368 4.328 3.960 0.001 0.000 0.310 199 G HA3 0.368 4.328 3.960 0.001 0.000 0.310 199 G C -0.992 174.112 174.900 0.340 0.000 1.476 199 G CA -0.774 44.519 45.100 0.321 0.000 0.978 199 G HN 0.866 9.156 8.290 -0.000 0.000 0.656 200 T N 1.366 116.063 114.554 0.238 0.000 2.834 200 T HA 0.523 4.873 4.350 0.001 0.000 0.298 200 T C 0.423 175.196 174.700 0.121 0.000 0.966 200 T CA 0.439 62.623 62.100 0.140 0.000 1.141 200 T CB 1.299 70.222 68.868 0.092 0.000 0.905 200 T HN 0.610 8.850 8.240 -0.000 0.000 0.535 201 T N 1.682 116.229 114.554 -0.012 0.000 2.859 201 T HA 0.544 4.894 4.350 0.001 0.000 0.281 201 T C 1.095 175.740 174.700 -0.092 0.000 1.005 201 T CA -0.453 61.550 62.100 -0.161 0.000 1.025 201 T CB 1.083 69.787 68.868 -0.273 0.000 0.977 201 T HN 0.642 8.882 8.240 -0.000 0.000 0.458 202 A N 2.994 125.756 122.820 -0.098 0.000 2.044 202 A HA 0.218 4.538 4.320 0.001 0.000 0.213 202 A C 0.850 178.399 177.584 -0.058 0.000 1.169 202 A CA 0.200 52.206 52.037 -0.051 0.000 0.724 202 A CB -0.038 18.947 19.000 -0.025 0.000 0.840 202 A HN 0.846 8.996 8.150 -0.000 0.000 0.463 203 D N -1.276 119.074 120.400 -0.085 0.000 2.332 203 D HA 0.510 5.151 4.640 0.001 0.000 0.252 203 D C 0.752 177.010 176.300 -0.071 0.000 1.050 203 D CA 0.036 53.993 54.000 -0.071 0.000 0.970 203 D CB 1.563 42.318 40.800 -0.074 0.000 1.141 203 D HN -0.030 8.340 8.370 -0.000 0.000 0.485 204 A N 0.356 123.143 122.820 -0.053 0.000 2.119 204 A HA 0.192 4.512 4.320 0.001 0.000 0.216 204 A C 1.876 179.428 177.584 -0.054 0.000 1.152 204 A CA 1.059 53.068 52.037 -0.047 0.000 0.708 204 A CB -0.763 18.217 19.000 -0.034 0.000 0.805 204 A HN 0.683 8.833 8.150 -0.000 0.000 0.460 205 G N -0.921 107.842 108.800 -0.061 0.000 2.813 205 G HA2 -0.040 3.921 3.960 0.001 0.000 0.209 205 G HA3 -0.040 3.921 3.960 0.001 0.000 0.209 205 G C 0.637 175.481 174.900 -0.094 0.000 1.150 205 G CA 0.413 45.473 45.100 -0.066 0.000 0.785 205 G HN 0.604 8.894 8.290 -0.000 0.000 0.535 206 N N -0.158 118.470 118.700 -0.121 0.000 2.696 206 N HA -0.256 4.484 4.740 0.001 0.000 0.249 206 N C 1.370 176.724 175.510 -0.261 0.000 1.090 206 N CA 0.689 53.632 53.050 -0.178 0.000 0.716 206 N CB -0.721 37.695 38.487 -0.118 0.000 1.020 206 N HN 0.542 8.922 8.380 -0.000 0.000 0.548 207 S N -1.435 114.114 115.700 -0.252 0.000 2.526 207 S HA 0.301 4.772 4.470 0.001 0.000 0.220 207 S C 0.522 174.903 174.600 -0.365 0.000 1.017 207 S CA -0.392 57.656 58.200 -0.253 0.000 0.930 207 S CB 0.572 63.713 63.200 -0.099 0.000 0.856 207 S HN 0.280 8.590 8.310 -0.000 0.000 0.497 208 I N 2.628 122.981 120.570 -0.361 0.000 2.312 208 I HA 0.416 4.587 4.170 0.001 0.000 0.290 208 I C -0.972 174.940 176.117 -0.341 0.000 1.008 208 I CA -0.764 60.387 61.300 -0.249 0.000 1.226 208 I CB 0.924 38.860 38.000 -0.106 0.000 1.371 208 I HN 0.084 8.294 8.210 -0.000 0.000 0.468 209 F N 3.536 123.489 119.950 0.005 0.000 2.399 209 F HA 0.202 4.730 4.527 0.001 0.000 0.342 209 F C 1.195 177.004 175.800 0.014 0.000 1.106 209 F CA -0.197 57.808 58.000 0.010 0.000 1.196 209 F CB 0.973 39.977 39.000 0.007 0.000 1.163 209 F HN 0.356 8.656 8.300 -0.000 0.000 0.547 210 T N 2.729 117.390 114.554 0.180 0.000 2.870 210 T HA -0.010 4.340 4.350 0.001 0.000 0.300 210 T C 0.176 174.943 174.700 0.112 0.000 0.989 210 T CA -0.517 61.649 62.100 0.110 0.000 1.139 210 T CB 0.025 68.941 68.868 0.079 0.000 0.920 210 T HN 0.569 8.809 8.240 -0.000 0.000 0.537 211 N N 1.695 120.449 118.700 0.089 0.000 2.357 211 N HA -0.031 4.710 4.740 0.001 0.000 0.257 211 N C 0.909 176.461 175.510 0.069 0.000 1.250 211 N CA 0.030 53.131 53.050 0.084 0.000 0.862 211 N CB 0.425 38.956 38.487 0.073 0.000 1.066 211 N HN 0.741 9.121 8.380 -0.000 0.000 0.468 212 T N -0.055 114.540 114.554 0.069 0.000 3.091 212 T HA 0.337 4.687 4.350 0.001 0.000 0.277 212 T C 0.392 175.125 174.700 0.056 0.000 0.996 212 T CA -0.587 61.547 62.100 0.058 0.000 0.897 212 T CB 0.367 69.267 68.868 0.054 0.000 1.109 212 T HN 0.465 8.705 8.240 -0.000 0.000 0.534 213 A N 0.789 123.646 122.820 0.062 0.000 2.386 213 A HA 0.706 5.027 4.320 0.001 0.000 0.248 213 A C 1.143 178.759 177.584 0.053 0.000 1.082 213 A CA -0.210 51.867 52.037 0.066 0.000 0.789 213 A CB 0.754 19.800 19.000 0.077 0.000 1.025 213 A HN 0.298 8.448 8.150 -0.000 0.000 0.490 214 S N -0.230 115.512 115.700 0.068 0.000 2.687 214 S HA 0.196 4.667 4.470 0.001 0.000 0.247 214 S C -0.227 174.422 174.600 0.081 0.000 1.050 214 S CA -0.287 57.946 58.200 0.055 0.000 1.063 214 S CB -0.145 63.090 63.200 0.059 0.000 1.039 214 S HN 0.559 8.869 8.310 -0.000 0.000 0.580 215 F N 3.929 123.894 119.950 0.025 0.000 2.619 215 F HA 0.428 4.955 4.527 0.001 0.000 0.350 215 F C 0.564 176.378 175.800 0.023 0.000 1.259 215 F CA 0.293 58.306 58.000 0.022 0.000 1.204 215 F CB -0.057 38.953 39.000 0.017 0.000 1.556 215 F HN 0.184 8.484 8.300 -0.000 0.000 0.650 216 S N 4.162 119.541 115.700 -0.535 0.000 3.416 216 S HA -0.124 4.347 4.470 0.001 0.000 0.534 216 S C -2.936 171.577 174.600 -0.146 0.000 0.664 216 S CA -0.793 57.136 58.200 -0.453 0.000 1.377 216 S CB -0.684 62.182 63.200 -0.556 0.000 1.037 216 S HN 0.402 8.712 8.310 -0.000 0.000 0.845 217 P HA 0.593 5.013 4.420 -0.000 0.000 0.292 217 P C -0.448 176.848 177.300 -0.007 0.000 1.283 217 P CA -0.314 62.773 63.100 -0.021 0.000 0.835 217 P CB 1.203 32.896 31.700 -0.012 0.000 1.017 218 A N 3.321 126.163 122.820 0.036 0.000 2.492 218 A HA 0.076 4.396 4.320 0.001 0.000 0.254 218 A C 0.430 178.032 177.584 0.030 0.000 1.091 218 A CA -0.019 52.049 52.037 0.051 0.000 0.768 218 A CB -0.550 18.517 19.000 0.112 0.000 1.028 218 A HN 0.515 8.665 8.150 -0.000 0.000 0.498 219 Q N 0.956 120.765 119.800 0.016 0.000 2.352 219 Q HA 0.358 4.698 4.340 0.001 0.000 0.260 219 Q C 1.233 177.242 176.000 0.016 0.000 0.976 219 Q CA 0.880 56.688 55.803 0.009 0.000 0.881 219 Q CB 0.756 29.493 28.738 -0.001 0.000 1.235 219 Q HN 1.458 9.729 8.270 -0.000 0.000 0.419 220 G N 1.288 110.095 108.800 0.012 0.000 2.296 220 G HA2 -0.252 3.708 3.960 0.001 0.000 0.282 220 G HA3 -0.252 3.708 3.960 0.001 0.000 0.282 220 G C -0.131 174.776 174.900 0.012 0.000 1.014 220 G CA 0.407 45.514 45.100 0.011 0.000 0.812 220 G HN 0.381 8.671 8.290 -0.000 0.000 0.508 221 V N -1.195 118.731 119.914 0.018 0.000 3.001 221 V HA 1.005 5.125 4.120 0.001 0.000 0.314 221 V C 0.741 176.867 176.094 0.054 0.000 1.099 221 V CA 0.116 62.427 62.300 0.018 0.000 0.989 221 V CB 2.109 33.914 31.823 -0.031 0.000 1.040 221 V HN 1.005 9.195 8.190 -0.000 0.000 0.434 222 G N 0.735 109.582 108.800 0.079 0.000 2.782 222 G HA2 0.669 4.630 3.960 0.001 0.000 0.304 222 G HA3 0.669 4.630 3.960 0.001 0.000 0.304 222 G C -1.943 173.024 174.900 0.112 0.000 1.315 222 G CA -0.459 44.699 45.100 0.096 0.000 0.791 222 G HN 0.613 8.903 8.290 -0.000 0.000 0.519 223 V N 0.530 120.506 119.914 0.104 0.000 2.656 223 V HA 0.706 4.826 4.120 0.001 0.000 0.307 223 V C -0.377 175.798 176.094 0.137 0.000 1.051 223 V CA -0.630 61.700 62.300 0.051 0.000 0.893 223 V CB 1.464 33.294 31.823 0.011 0.000 0.999 223 V HN 0.981 9.171 8.190 -0.000 0.000 0.426 224 Q N 4.435 124.280 119.800 0.075 0.000 2.397 224 Q HA 0.747 5.087 4.340 0.001 0.000 0.275 224 Q C -2.123 173.934 176.000 0.094 0.000 1.090 224 Q CA -0.790 55.082 55.803 0.114 0.000 0.809 224 Q CB 2.600 31.361 28.738 0.040 0.000 1.362 224 Q HN 0.712 8.982 8.270 -0.000 0.000 0.431 225 L N 1.337 122.649 121.223 0.149 0.000 2.334 225 L HA 0.739 5.079 4.340 0.001 0.000 0.270 225 L C -0.137 176.780 176.870 0.077 0.000 1.018 225 L CA -0.976 53.921 54.840 0.095 0.000 0.811 225 L CB 2.069 44.192 42.059 0.106 0.000 1.271 225 L HN 0.732 8.962 8.230 -0.000 0.000 0.443 226 T N 0.980 115.566 114.554 0.054 0.000 2.956 226 T HA 0.374 4.725 4.350 0.001 0.000 0.312 226 T C -1.124 173.607 174.700 0.051 0.000 1.151 226 T CA -0.742 61.388 62.100 0.049 0.000 1.024 226 T CB 1.778 70.663 68.868 0.028 0.000 1.140 226 T HN 0.688 8.928 8.240 -0.000 0.000 0.473 227 R N 3.008 123.545 120.500 0.062 0.000 2.275 227 R HA 0.355 4.696 4.340 0.001 0.000 0.326 227 R C -0.485 175.842 176.300 0.045 0.000 0.973 227 R CA -0.456 55.683 56.100 0.066 0.000 0.854 227 R CB -0.454 29.913 30.300 0.113 0.000 1.156 227 R HN 0.935 9.205 8.270 -0.000 0.000 0.487 228 N N 2.490 121.209 118.700 0.032 0.000 2.700 228 N HA -0.296 4.445 4.740 0.001 0.000 0.265 228 N C 0.679 176.202 175.510 0.022 0.000 0.975 228 N CA 0.548 53.612 53.050 0.024 0.000 0.800 228 N CB -0.687 37.814 38.487 0.023 0.000 0.908 228 N HN 1.092 9.472 8.380 -0.000 0.000 0.551 229 G N -1.643 107.169 108.800 0.021 0.000 2.345 229 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 229 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 229 G C 0.302 175.213 174.900 0.018 0.000 1.058 229 G CA 0.239 45.349 45.100 0.017 0.000 0.632 229 G HN 0.464 8.754 8.290 -0.000 0.000 0.508 230 T N 2.547 117.114 114.554 0.022 0.000 2.884 230 T HA 0.572 4.923 4.350 0.001 0.000 0.298 230 T C 0.799 175.515 174.700 0.026 0.000 0.998 230 T CA 0.082 62.193 62.100 0.019 0.000 1.124 230 T CB 1.302 70.181 68.868 0.018 0.000 0.931 230 T HN 0.369 8.609 8.240 -0.000 0.000 0.531 231 I N 3.017 123.599 120.570 0.020 0.000 2.532 231 I HA 0.337 4.508 4.170 0.001 0.000 0.292 231 I C 0.144 176.280 176.117 0.031 0.000 1.014 231 I CA -0.626 60.690 61.300 0.027 0.000 1.340 231 I CB 0.981 38.990 38.000 0.015 0.000 1.422 231 I HN 0.460 8.670 8.210 -0.000 0.000 0.528 232 I N 7.153 127.758 120.570 0.059 0.000 2.337 232 I HA 0.277 4.447 4.170 0.001 0.000 0.285 232 I C -2.201 173.965 176.117 0.081 0.000 1.041 232 I CA -1.848 59.496 61.300 0.073 0.000 1.199 232 I CB 0.717 38.798 38.000 0.134 0.000 1.370 232 I HN 0.267 8.477 8.210 -0.000 0.000 0.470 233 P HA 0.234 4.654 4.420 -0.000 0.000 0.276 233 P C -0.371 176.955 177.300 0.043 0.000 1.244 233 P CA -0.430 62.665 63.100 -0.008 0.000 0.801 233 P CB 0.985 32.663 31.700 -0.038 0.000 1.006 234 A N 1.653 124.487 122.820 0.024 0.000 2.477 234 A HA 0.183 4.503 4.320 0.001 0.000 0.246 234 A C 0.503 178.122 177.584 0.058 0.000 1.078 234 A CA 0.005 52.119 52.037 0.128 0.000 0.770 234 A CB -1.409 17.643 19.000 0.086 0.000 1.011 234 A HN 0.729 8.879 8.150 -0.000 0.000 0.494 235 N N -0.183 118.574 118.700 0.095 0.000 2.780 235 N HA -0.180 4.561 4.740 0.001 0.000 0.248 235 N C -0.802 174.614 175.510 -0.156 0.000 1.102 235 N CA 1.232 54.219 53.050 -0.104 0.000 0.697 235 N CB -1.326 37.083 38.487 -0.129 0.000 1.028 235 N HN 0.721 9.101 8.380 -0.000 0.000 0.554 236 N N 0.047 118.706 118.700 -0.068 0.000 2.841 236 N HA 0.190 4.930 4.740 0.001 0.000 0.257 236 N C -1.200 174.252 175.510 -0.096 0.000 1.396 236 N CA -0.219 52.781 53.050 -0.084 0.000 0.823 236 N CB 0.808 39.264 38.487 -0.053 0.000 1.162 236 N HN 0.081 8.461 8.380 -0.000 0.000 0.503 237 T N 0.607 115.089 114.554 -0.120 0.000 2.903 237 T HA -0.001 4.350 4.350 0.001 0.000 0.299 237 T C 0.143 174.715 174.700 -0.212 0.000 1.041 237 T CA 0.337 62.361 62.100 -0.127 0.000 1.138 237 T CB 0.240 69.053 68.868 -0.091 0.000 1.040 237 T HN -0.011 8.229 8.240 -0.000 0.000 0.524 238 V N 3.657 123.335 119.914 -0.393 0.000 2.495 238 V HA 0.543 4.664 4.120 0.001 0.000 0.298 238 V C 0.256 176.122 176.094 -0.380 0.000 1.031 238 V CA -1.026 60.992 62.300 -0.470 0.000 0.871 238 V CB 1.928 33.192 31.823 -0.931 0.000 0.988 238 V HN 1.008 9.198 8.190 -0.000 0.000 0.432 239 S N 6.012 121.599 115.700 -0.187 0.000 2.442 239 S HA 0.699 5.169 4.470 0.001 0.000 0.297 239 S C -0.542 174.047 174.600 -0.018 0.000 1.131 239 S CA -0.671 57.474 58.200 -0.092 0.000 1.092 239 S CB 0.617 63.784 63.200 -0.055 0.000 0.998 239 S HN 0.540 8.850 8.310 -0.000 0.000 0.478 240 L N 3.743 124.992 121.223 0.043 0.000 2.439 240 L HA 0.465 4.805 4.340 0.001 0.000 0.261 240 L C 1.651 178.552 176.870 0.052 0.000 1.153 240 L CA -0.587 54.309 54.840 0.094 0.000 0.808 240 L CB 0.269 42.418 42.059 0.150 0.000 1.126 240 L HN 0.956 9.186 8.230 -0.000 0.000 0.460 241 G N 0.842 109.673 108.800 0.050 0.000 2.961 241 G HA2 0.237 4.198 3.960 0.001 0.000 0.150 241 G HA3 0.237 4.198 3.960 0.001 0.000 0.150 241 G C 0.109 175.031 174.900 0.037 0.000 1.864 241 G CA 0.267 45.389 45.100 0.036 0.000 0.992 241 G HN 0.717 9.007 8.290 -0.000 0.000 0.458 242 A N -0.038 122.804 122.820 0.036 0.000 3.078 242 A HA 0.514 4.835 4.320 0.001 0.000 0.279 242 A C 0.115 177.726 177.584 0.044 0.000 1.594 242 A CA -0.436 51.624 52.037 0.038 0.000 1.301 242 A CB -0.220 18.799 19.000 0.033 0.000 1.162 242 A HN 0.461 8.611 8.150 -0.000 0.000 0.585 243 V N 3.082 123.026 119.914 0.051 0.000 2.456 243 V HA 0.099 4.219 4.120 0.001 0.000 0.247 243 V C 1.527 177.657 176.094 0.060 0.000 1.056 243 V CA 0.798 63.134 62.300 0.059 0.000 1.203 243 V CB -1.034 30.827 31.823 0.064 0.000 1.185 243 V HN 0.818 9.008 8.190 -0.000 0.000 0.477 244 G N 4.102 112.937 108.800 0.059 0.000 2.735 244 G HA2 0.176 4.137 3.960 0.001 0.000 0.192 244 G HA3 0.176 4.137 3.960 0.001 0.000 0.192 244 G C 1.291 176.241 174.900 0.083 0.000 1.547 244 G CA 0.562 45.698 45.100 0.060 0.000 1.080 244 G HN 0.599 8.889 8.290 -0.000 0.000 0.569 245 T N -0.791 113.813 114.554 0.083 0.000 2.643 245 T HA -0.046 4.305 4.350 0.001 0.000 0.256 245 T C 1.865 176.657 174.700 0.153 0.000 1.061 245 T CA 1.389 63.567 62.100 0.129 0.000 1.163 245 T CB -1.214 67.712 68.868 0.096 0.000 0.865 245 T HN 1.211 9.451 8.240 -0.000 0.000 0.407 246 S N 2.447 118.190 115.700 0.073 0.000 2.715 246 S HA 0.251 4.722 4.470 0.001 0.000 0.318 246 S C 0.439 175.068 174.600 0.048 0.000 1.242 246 S CA -0.518 57.699 58.200 0.029 0.000 1.044 246 S CB -0.664 62.546 63.200 0.017 0.000 0.760 246 S HN 0.973 9.283 8.310 -0.000 0.000 0.501 247 A N 3.999 126.819 122.820 -0.000 0.000 2.546 247 A HA 0.454 4.775 4.320 0.001 0.000 0.243 247 A C 0.156 177.757 177.584 0.029 0.000 1.063 247 A CA -0.413 51.639 52.037 0.025 0.000 0.757 247 A CB -0.064 18.906 19.000 -0.049 0.000 0.991 247 A HN 1.132 9.282 8.150 -0.000 0.000 0.503 248 V N 3.285 123.228 119.914 0.050 0.000 2.448 248 V HA 0.310 4.430 4.120 0.001 0.000 0.295 248 V C 0.392 176.507 176.094 0.036 0.000 1.025 248 V CA -0.365 61.961 62.300 0.043 0.000 0.859 248 V CB 1.873 33.730 31.823 0.056 0.000 0.988 248 V HN 0.925 9.115 8.190 -0.000 0.000 0.431 249 S N 5.843 121.556 115.700 0.022 0.000 2.489 249 S HA 0.522 4.993 4.470 0.001 0.000 0.277 249 S C -0.139 174.466 174.600 0.008 0.000 1.230 249 S CA -0.461 57.744 58.200 0.009 0.000 1.053 249 S CB 0.458 63.659 63.200 0.002 0.000 0.955 249 S HN 0.493 8.803 8.310 -0.000 0.000 0.488 250 L N 2.990 124.200 121.223 -0.022 0.000 2.361 250 L HA 0.295 4.636 4.340 0.001 0.000 0.278 250 L C 1.279 178.129 176.870 -0.034 0.000 1.113 250 L CA -0.502 54.300 54.840 -0.063 0.000 0.849 250 L CB 0.121 42.029 42.059 -0.251 0.000 1.155 250 L HN 0.776 9.006 8.230 -0.000 0.000 0.452 251 G N 5.845 114.647 108.800 0.003 0.000 3.316 251 G HA2 0.340 4.301 3.960 0.001 0.000 0.255 251 G HA3 0.340 4.301 3.960 0.001 0.000 0.255 251 G C 0.245 175.146 174.900 0.003 0.000 0.880 251 G CA -0.470 44.633 45.100 0.004 0.000 1.956 251 G HN 0.416 8.706 8.290 -0.000 0.000 0.634 252 L N 0.685 121.897 121.223 -0.019 0.000 2.397 252 L HA 0.411 4.752 4.340 0.001 0.000 0.271 252 L C 0.510 177.370 176.870 -0.016 0.000 1.148 252 L CA -0.018 54.812 54.840 -0.017 0.000 0.825 252 L CB 1.304 43.331 42.059 -0.053 0.000 1.117 252 L HN 0.088 8.318 8.230 -0.000 0.000 0.456 253 T N 1.542 116.091 114.554 -0.008 0.000 2.893 253 T HA 0.647 4.997 4.350 0.001 0.000 0.293 253 T C -0.706 173.976 174.700 -0.029 0.000 1.027 253 T CA -0.500 61.590 62.100 -0.017 0.000 0.988 253 T CB 1.937 70.800 68.868 -0.007 0.000 1.043 253 T HN 0.667 8.907 8.240 -0.000 0.000 0.461 254 A N 3.870 126.655 122.820 -0.058 0.000 2.287 254 A HA 0.765 5.086 4.320 0.001 0.000 0.317 254 A C -0.370 177.128 177.584 -0.144 0.000 1.220 254 A CA -0.807 51.172 52.037 -0.097 0.000 0.835 254 A CB 0.479 19.405 19.000 -0.122 0.000 1.180 254 A HN 0.839 8.989 8.150 -0.000 0.000 0.500 255 N N 1.923 120.539 118.700 -0.140 0.000 2.225 255 N HA 0.338 5.078 4.740 0.001 0.000 0.298 255 N C -1.510 173.904 175.510 -0.159 0.000 1.076 255 N CA -0.462 52.502 53.050 -0.144 0.000 0.792 255 N CB 1.356 39.820 38.487 -0.038 0.000 1.498 255 N HN 0.573 8.953 8.380 -0.000 0.000 0.474 256 Y N 0.873 121.126 120.300 -0.079 0.000 2.511 256 Y HA 0.290 4.841 4.550 0.001 0.000 0.332 256 Y C 0.931 176.775 175.900 -0.093 0.000 1.177 256 Y CA 0.018 58.039 58.100 -0.133 0.000 1.422 256 Y CB 0.637 38.920 38.460 -0.294 0.000 1.271 256 Y HN 0.600 8.880 8.280 -0.000 0.000 0.550 257 A N 3.854 126.725 122.820 0.085 0.000 2.485 257 A HA 0.786 5.106 4.320 0.001 0.000 0.292 257 A C -0.937 176.660 177.584 0.021 0.000 1.147 257 A CA -1.160 50.898 52.037 0.036 0.000 0.750 257 A CB 1.414 20.424 19.000 0.017 0.000 1.331 257 A HN 0.803 8.953 8.150 -0.000 0.000 0.419 258 R N 0.189 120.694 120.500 0.008 0.000 2.312 258 R HA 0.564 4.905 4.340 0.001 0.000 0.311 258 R C -0.052 176.247 176.300 -0.002 0.000 1.004 258 R CA -0.135 55.966 56.100 0.002 0.000 0.902 258 R CB 1.628 31.929 30.300 0.002 0.000 1.073 258 R HN 0.847 9.117 8.270 -0.000 0.000 0.457 259 T N 0.663 115.216 114.554 -0.001 0.000 3.160 259 T HA 0.229 4.580 4.350 0.001 0.000 0.251 259 T C 1.487 176.184 174.700 -0.005 0.000 1.088 259 T CA 0.149 62.246 62.100 -0.005 0.000 1.119 259 T CB -0.170 68.699 68.868 0.001 0.000 2.590 259 T HN 0.739 8.979 8.240 -0.000 0.000 0.482 260 G N 0.259 109.057 108.800 -0.004 0.000 3.248 260 G HA2 -0.077 3.883 3.960 0.001 0.000 0.228 260 G HA3 -0.077 3.883 3.960 0.001 0.000 0.228 260 G C 1.004 175.902 174.900 -0.003 0.000 1.100 260 G CA 1.630 46.727 45.100 -0.003 0.000 0.750 260 G HN 0.840 9.130 8.290 -0.000 0.000 1.046 261 G N -1.092 107.708 108.800 -0.001 0.000 2.543 261 G HA2 0.413 4.373 3.960 0.001 0.000 0.202 261 G HA3 0.413 4.373 3.960 0.001 0.000 0.202 261 G C 0.411 175.313 174.900 0.003 0.000 1.897 261 G CA 0.711 45.811 45.100 0.000 0.000 0.726 261 G HN 0.871 9.161 8.290 -0.000 0.000 0.804 262 Q N 0.601 120.403 119.800 0.003 0.000 2.340 262 Q HA 0.516 4.856 4.340 0.001 0.000 0.249 262 Q C -1.133 174.873 176.000 0.010 0.000 0.957 262 Q CA -0.279 55.528 55.803 0.006 0.000 0.882 262 Q CB 1.853 30.593 28.738 0.003 0.000 1.235 262 Q HN 0.124 8.394 8.270 -0.000 0.000 0.439 263 V N 3.004 122.928 119.914 0.018 0.000 2.407 263 V HA 0.266 4.386 4.120 0.001 0.000 0.278 263 V C -0.289 175.823 176.094 0.031 0.000 1.037 263 V CA -0.430 61.889 62.300 0.032 0.000 0.900 263 V CB 1.541 33.396 31.823 0.053 0.000 0.983 263 V HN 0.909 9.099 8.190 -0.000 0.000 0.459 264 T N 5.007 119.577 114.554 0.026 0.000 2.821 264 T HA 0.555 4.906 4.350 0.001 0.000 0.307 264 T C 0.387 175.094 174.700 0.012 0.000 1.034 264 T CA -0.191 61.913 62.100 0.007 0.000 0.953 264 T CB 1.115 69.977 68.868 -0.010 0.000 0.968 264 T HN 0.931 9.171 8.240 -0.000 0.000 0.462 265 A N 2.933 125.747 122.820 -0.010 0.000 2.586 265 A HA 0.601 4.921 4.320 0.001 0.000 0.231 265 A C 1.066 178.622 177.584 -0.047 0.000 1.055 265 A CA 0.700 52.700 52.037 -0.062 0.000 0.756 265 A CB -0.305 18.560 19.000 -0.225 0.000 0.988 265 A HN 1.236 9.386 8.150 -0.000 0.000 0.509 266 G N 0.676 109.458 108.800 -0.029 0.000 2.399 266 G HA2 0.252 4.213 3.960 0.001 0.000 0.256 266 G HA3 0.252 4.213 3.960 0.001 0.000 0.256 266 G C -0.902 174.031 174.900 0.056 0.000 1.236 266 G CA -0.588 44.510 45.100 -0.003 0.000 0.914 266 G HN 0.849 9.139 8.290 -0.000 0.000 0.482 267 N N -0.502 118.239 118.700 0.068 0.000 2.444 267 N HA 0.487 5.227 4.740 0.001 0.000 0.271 267 N C -0.792 174.790 175.510 0.120 0.000 1.069 267 N CA -0.216 52.897 53.050 0.106 0.000 0.965 267 N CB 1.901 40.452 38.487 0.107 0.000 1.092 267 N HN 0.258 8.638 8.380 -0.000 0.000 0.476 268 V N 2.923 122.936 119.914 0.166 0.000 2.459 268 V HA 0.305 4.426 4.120 0.001 0.000 0.295 268 V C -0.399 175.791 176.094 0.160 0.000 1.029 268 V CA -0.396 62.012 62.300 0.180 0.000 0.874 268 V CB 1.566 33.557 31.823 0.280 0.000 0.985 268 V HN 0.669 8.859 8.190 -0.000 0.000 0.438 269 Q N 2.361 122.232 119.800 0.118 0.000 2.285 269 Q HA 0.549 4.890 4.340 0.001 0.000 0.269 269 Q C -1.225 174.817 176.000 0.071 0.000 1.030 269 Q CA -0.275 55.581 55.803 0.088 0.000 0.788 269 Q CB 2.490 31.273 28.738 0.076 0.000 1.266 269 Q HN 0.676 8.946 8.270 -0.000 0.000 0.438 270 S N 2.812 118.540 115.700 0.046 0.000 2.502 270 S HA 0.647 5.117 4.470 0.001 0.000 0.304 270 S C -0.905 173.684 174.600 -0.019 0.000 1.097 270 S CA -0.488 57.729 58.200 0.028 0.000 1.045 270 S CB 0.661 63.871 63.200 0.018 0.000 1.019 270 S HN 0.457 8.767 8.310 -0.000 0.000 0.481 271 I N 5.015 125.571 120.570 -0.024 0.000 2.382 271 I HA 0.513 4.684 4.170 0.001 0.000 0.286 271 I C -0.760 175.277 176.117 -0.134 0.000 1.002 271 I CA -0.426 60.841 61.300 -0.055 0.000 1.135 271 I CB 1.290 39.281 38.000 -0.014 0.000 1.288 271 I HN 0.419 8.629 8.210 -0.000 0.000 0.448 272 I N 4.330 124.774 120.570 -0.209 0.000 2.569 272 I HA 0.578 4.749 4.170 0.001 0.000 0.296 272 I C 0.457 176.458 176.117 -0.194 0.000 1.028 272 I CA -0.512 60.579 61.300 -0.348 0.000 1.082 272 I CB 2.319 39.984 38.000 -0.559 0.000 1.264 272 I HN 0.623 8.833 8.210 -0.000 0.000 0.429 273 G N 4.199 112.908 108.800 -0.153 0.000 2.410 273 G HA2 0.654 4.614 3.960 0.001 0.000 0.330 273 G HA3 0.654 4.614 3.960 0.001 0.000 0.330 273 G C -1.146 173.683 174.900 -0.118 0.000 1.142 273 G CA -0.381 44.663 45.100 -0.092 0.000 0.902 273 G HN 0.332 8.622 8.290 -0.000 0.000 0.491 274 V N 0.638 120.493 119.914 -0.099 0.000 2.531 274 V HA 0.566 4.687 4.120 0.001 0.000 0.301 274 V C -0.129 175.880 176.094 -0.142 0.000 1.034 274 V CA -0.651 61.571 62.300 -0.131 0.000 0.865 274 V CB 1.806 33.596 31.823 -0.054 0.000 0.995 274 V HN 0.741 8.931 8.190 -0.000 0.000 0.424 275 T N 5.349 119.670 114.554 -0.388 0.000 2.809 275 T HA 0.625 4.976 4.350 0.001 0.000 0.284 275 T C -0.714 173.738 174.700 -0.413 0.000 0.992 275 T CA -0.127 61.734 62.100 -0.398 0.000 0.957 275 T CB 0.520 68.853 68.868 -0.892 0.000 0.942 275 T HN 0.291 8.531 8.240 -0.000 0.000 0.439 276 F N 2.609 122.498 119.950 -0.102 0.000 2.404 276 F HA 0.507 5.035 4.527 0.001 0.000 0.345 276 F C 0.290 176.053 175.800 -0.061 0.000 1.110 276 F CA -0.845 57.107 58.000 -0.080 0.000 1.130 276 F CB 1.073 40.020 39.000 -0.088 0.000 1.129 276 F HN 0.166 8.466 8.300 -0.000 0.000 0.500 277 V N 4.165 124.067 119.914 -0.019 0.000 2.417 277 V HA 0.292 4.413 4.120 0.001 0.000 0.291 277 V C -0.811 175.247 176.094 -0.060 0.000 1.024 277 V CA -1.175 61.159 62.300 0.056 0.000 0.861 277 V CB 0.807 32.690 31.823 0.100 0.000 0.985 277 V HN 0.471 8.661 8.190 -0.000 0.000 0.436 278 Y N 2.681 123.039 120.300 0.096 0.000 2.327 278 Y HA 0.447 4.998 4.550 0.001 0.000 0.336 278 Y C 0.678 176.612 175.900 0.058 0.000 1.035 278 Y CA 0.021 58.166 58.100 0.075 0.000 1.165 278 Y CB 1.267 39.762 38.460 0.058 0.000 1.181 278 Y HN 0.697 8.977 8.280 -0.000 0.000 0.494 279 Q N 0.000 119.879 119.800 0.131 0.000 2.315 279 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 279 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 279 Q CB 0.000 28.772 28.738 0.057 0.000 1.108 279 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481