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 2qtg_1_A DATA FIRST_RESID 22 DATA SEQUENCE ILRPISSVVF VIAMQAEALP LVNKFGLSET TDSPLGKGLP WVLYHGVHKD DATA SEQUENCE LRINVVCPGR DAALGIDSVG TVPASLITFA SIQALKPDII INAGTCGGFK DATA SEQUENCE VKGANIGDVF LVSDVVFHDR RIPIPMFDLY GVGLRQAFST PNLLKELNLK DATA SEQUENCE IGRLSTGDSL DMSTQDETLI IANDATLKDM EGAAVAYVAD LLKIPVVFLK DATA SEQUENCE AVTDLVDGDK PTAEEFLQNL TVVTAALEGT ATKVINFING RNLSDL 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 22 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 22 I C 0.000 176.138 176.117 0.035 0.000 1.063 22 I CA 0.000 61.326 61.300 0.043 0.000 1.566 22 I CB 0.000 38.008 38.000 0.013 0.000 1.214 23 L N 1.989 123.222 121.223 0.017 0.000 2.878 23 L HA 0.421 4.400 4.340 -0.601 0.000 0.253 23 L C 1.042 177.911 176.870 -0.002 0.000 1.135 23 L CA 0.459 55.306 54.840 0.011 0.000 0.943 23 L CB 0.106 42.172 42.059 0.011 0.000 1.307 23 L HN 0.626 8.856 8.230 -0.000 0.000 0.545 24 R N 1.595 122.091 120.500 -0.007 0.000 2.538 24 R HA 0.301 4.280 4.340 -0.601 0.000 0.282 24 R C -2.480 173.807 176.300 -0.022 0.000 1.009 24 R CA -0.926 55.165 56.100 -0.015 0.000 1.063 24 R CB -1.852 28.437 30.300 -0.019 0.000 0.945 24 R HN -0.003 8.267 8.270 -0.000 0.000 0.414 25 P HA 0.174 4.594 4.420 -0.000 0.000 0.271 25 P C -0.274 177.005 177.300 -0.035 0.000 1.216 25 P CA -0.442 62.640 63.100 -0.029 0.000 0.776 25 P CB 0.464 32.147 31.700 -0.028 0.000 0.881 26 I N 1.884 122.429 120.570 -0.042 0.000 2.668 26 I HA -0.094 3.716 4.170 -0.601 0.000 0.285 26 I C 1.488 177.583 176.117 -0.036 0.000 1.168 26 I CA 0.962 62.232 61.300 -0.051 0.000 1.424 26 I CB 0.265 38.229 38.000 -0.060 0.000 1.377 26 I HN 0.440 8.650 8.210 -0.000 0.000 0.560 27 S N 2.503 118.183 115.700 -0.034 0.000 2.524 27 S HA 0.125 4.234 4.470 -0.601 0.000 0.222 27 S C 0.575 175.169 174.600 -0.010 0.000 1.040 27 S CA -0.113 58.077 58.200 -0.018 0.000 0.915 27 S CB 0.510 63.702 63.200 -0.013 0.000 0.831 27 S HN 0.601 8.911 8.310 -0.000 0.000 0.492 28 S N 0.638 116.323 115.700 -0.025 0.000 2.619 28 S HA 0.671 4.781 4.470 -0.601 0.000 0.280 28 S C -1.415 173.155 174.600 -0.050 0.000 1.150 28 S CA -0.481 57.708 58.200 -0.018 0.000 0.978 28 S CB 1.717 64.913 63.200 -0.006 0.000 1.041 28 S HN 0.212 8.522 8.310 -0.000 0.000 0.485 29 V N 5.025 124.915 119.914 -0.040 0.000 2.487 29 V HA 0.545 4.304 4.120 -0.601 0.000 0.298 29 V C -0.442 175.626 176.094 -0.043 0.000 1.028 29 V CA -0.666 61.581 62.300 -0.088 0.000 0.860 29 V CB 1.821 33.590 31.823 -0.091 0.000 0.991 29 V HN 0.774 8.964 8.190 -0.000 0.000 0.427 30 V N 5.541 125.393 119.914 -0.104 0.000 2.370 30 V HA 0.449 4.209 4.120 -0.601 0.000 0.279 30 V C -0.463 175.548 176.094 -0.138 0.000 1.029 30 V CA -0.405 61.868 62.300 -0.045 0.000 0.870 30 V CB 1.278 33.068 31.823 -0.055 0.000 0.984 30 V HN 0.647 8.837 8.190 -0.000 0.000 0.451 31 F N 3.995 123.901 119.950 -0.072 0.000 2.411 31 F HA 0.417 4.583 4.527 -0.601 0.000 0.355 31 F C 0.341 176.111 175.800 -0.049 0.000 1.117 31 F CA -0.325 57.634 58.000 -0.069 0.000 1.139 31 F CB 1.493 40.455 39.000 -0.063 0.000 1.120 31 F HN 0.165 8.465 8.300 -0.000 0.000 0.493 32 V N 6.418 126.371 119.914 0.065 0.000 2.333 32 V HA 0.366 4.126 4.120 -0.601 0.000 0.274 32 V C 0.015 176.156 176.094 0.077 0.000 1.028 32 V CA -0.489 61.832 62.300 0.036 0.000 0.851 32 V CB 0.717 32.520 31.823 -0.033 0.000 1.000 32 V HN 0.500 8.690 8.190 -0.000 0.000 0.456 33 I N 3.677 124.301 120.570 0.091 0.000 2.447 33 I HA 0.471 4.280 4.170 -0.601 0.000 0.287 33 I C 1.094 177.255 176.117 0.073 0.000 1.023 33 I CA -0.532 60.825 61.300 0.095 0.000 1.083 33 I CB 2.043 40.105 38.000 0.103 0.000 1.245 33 I HN 0.587 8.797 8.210 -0.000 0.000 0.434 34 A N 7.092 129.952 122.820 0.066 0.000 1.929 34 A HA 0.188 4.148 4.320 -0.601 0.000 0.216 34 A C 0.981 178.605 177.584 0.067 0.000 1.176 34 A CA 1.010 53.081 52.037 0.058 0.000 0.628 34 A CB 0.074 19.109 19.000 0.058 0.000 0.816 34 A HN 0.664 8.814 8.150 -0.000 0.000 0.444 35 M N -0.733 118.908 119.600 0.069 0.000 2.364 35 M HA 0.251 4.370 4.480 -0.601 0.000 0.334 35 M C 0.327 176.671 176.300 0.074 0.000 1.107 35 M CA -0.308 55.035 55.300 0.071 0.000 0.988 35 M CB 1.856 34.493 32.600 0.062 0.000 1.673 35 M HN 0.241 8.531 8.290 -0.000 0.000 0.441 36 Q N 1.295 121.147 119.800 0.087 0.000 2.291 36 Q HA -0.116 3.863 4.340 -0.601 0.000 0.206 36 Q C 1.914 177.942 176.000 0.048 0.000 0.976 36 Q CA 1.673 57.532 55.803 0.094 0.000 0.875 36 Q CB 0.030 28.846 28.738 0.130 0.000 0.927 36 Q HN 0.920 9.190 8.270 -0.000 0.000 0.450 37 A N 0.914 123.760 122.820 0.043 0.000 1.969 37 A HA -0.200 3.759 4.320 -0.601 0.000 0.218 37 A C 1.650 179.240 177.584 0.011 0.000 1.169 37 A CA 1.252 53.305 52.037 0.026 0.000 0.635 37 A CB -0.184 18.838 19.000 0.038 0.000 0.810 37 A HN 0.332 8.482 8.150 -0.000 0.000 0.445 38 E N -0.420 119.792 120.200 0.020 0.000 2.208 38 E HA 0.043 4.032 4.350 -0.601 0.000 0.193 38 E C 2.079 178.669 176.600 -0.017 0.000 0.988 38 E CA 0.745 57.152 56.400 0.012 0.000 0.828 38 E CB -0.131 29.590 29.700 0.034 0.000 0.763 38 E HN 0.631 8.991 8.360 -0.000 0.000 0.478 39 A N 0.858 123.662 122.820 -0.026 0.000 1.924 39 A HA 0.005 3.964 4.320 -0.601 0.000 0.211 39 A C 2.049 179.519 177.584 -0.190 0.000 1.198 39 A CA 0.224 52.208 52.037 -0.089 0.000 0.657 39 A CB -0.158 18.827 19.000 -0.025 0.000 0.852 39 A HN 0.079 8.229 8.150 -0.000 0.000 0.454 40 L N -0.020 121.105 121.223 -0.163 0.000 2.079 40 L HA -0.121 3.858 4.340 -0.601 0.000 0.210 40 L C -0.481 176.294 176.870 -0.158 0.000 1.081 40 L CA 2.121 56.838 54.840 -0.205 0.000 0.752 40 L CB -2.257 39.734 42.059 -0.114 0.000 0.896 40 L HN 0.234 8.464 8.230 -0.000 0.000 0.433 41 P HA -0.176 4.244 4.420 -0.000 0.000 0.215 41 P C 1.971 179.217 177.300 -0.091 0.000 1.153 41 P CA 1.023 64.074 63.100 -0.082 0.000 0.853 41 P CB 0.014 31.681 31.700 -0.055 0.000 0.788 42 L N -0.726 120.426 121.223 -0.118 0.000 2.093 42 L HA -0.100 3.880 4.340 -0.601 0.000 0.208 42 L C 2.221 179.036 176.870 -0.091 0.000 1.085 42 L CA 1.623 56.398 54.840 -0.108 0.000 0.755 42 L CB -1.114 40.793 42.059 -0.254 0.000 0.904 42 L HN -0.212 8.018 8.230 -0.000 0.000 0.435 43 V N 0.398 120.187 119.914 -0.208 0.000 2.287 43 V HA -0.316 3.444 4.120 -0.601 0.000 0.248 43 V C 2.386 178.411 176.094 -0.114 0.000 1.053 43 V CA 2.059 64.215 62.300 -0.240 0.000 1.027 43 V CB -0.813 30.682 31.823 -0.547 0.000 0.646 43 V HN 0.548 8.738 8.190 -0.000 0.000 0.447 44 N N 0.184 118.816 118.700 -0.113 0.000 2.142 44 N HA -0.179 4.200 4.740 -0.601 0.000 0.186 44 N C 1.858 177.330 175.510 -0.063 0.000 1.023 44 N CA 1.420 54.427 53.050 -0.071 0.000 0.852 44 N CB -0.360 38.085 38.487 -0.069 0.000 0.998 44 N HN 0.401 8.781 8.380 -0.000 0.000 0.424 45 K N 0.608 120.967 120.400 -0.068 0.000 2.074 45 K HA -0.055 3.905 4.320 -0.601 0.000 0.209 45 K C 1.151 177.583 176.600 -0.280 0.000 1.048 45 K CA 1.316 57.512 56.287 -0.152 0.000 0.926 45 K CB -0.314 32.111 32.500 -0.124 0.000 0.713 45 K HN 0.093 8.343 8.250 -0.000 0.000 0.444 46 F N -0.275 119.595 119.950 -0.133 0.000 2.727 46 F HA 0.300 4.467 4.527 -0.599 0.000 0.302 46 F C 1.073 176.835 175.800 -0.062 0.000 1.097 46 F CA 0.299 58.230 58.000 -0.115 0.000 1.330 46 F CB 0.489 39.388 39.000 -0.169 0.000 1.084 46 F HN 0.211 8.511 8.300 -0.000 0.000 0.578 47 G N 2.066 110.896 108.800 0.050 0.000 2.366 47 G HA2 -0.304 3.295 3.960 -0.601 0.000 0.299 47 G HA3 -0.304 3.295 3.960 -0.601 0.000 0.299 47 G C 0.106 175.045 174.900 0.066 0.000 1.020 47 G CA -0.134 44.989 45.100 0.038 0.000 1.026 47 G HN 0.304 8.594 8.290 -0.000 0.000 0.512 48 L N 0.425 121.686 121.223 0.064 0.000 2.417 48 L HA 0.534 4.513 4.340 -0.601 0.000 0.268 48 L C 1.160 178.108 176.870 0.131 0.000 1.158 48 L CA 0.012 54.901 54.840 0.081 0.000 0.819 48 L CB 1.353 43.448 42.059 0.060 0.000 1.112 48 L HN 0.471 8.701 8.230 -0.000 0.000 0.458 49 S N 0.867 116.668 115.700 0.169 0.000 2.509 49 S HA 0.266 4.375 4.470 -0.601 0.000 0.297 49 S C -0.443 174.304 174.600 0.245 0.000 1.118 49 S CA -0.934 57.380 58.200 0.191 0.000 1.074 49 S CB 1.651 64.931 63.200 0.133 0.000 1.038 49 S HN 0.656 8.966 8.310 -0.000 0.000 0.498 50 E N 2.282 122.635 120.200 0.256 0.000 2.417 50 E HA 0.130 4.120 4.350 -0.601 0.000 0.261 50 E C 0.197 176.810 176.600 0.022 0.000 1.000 50 E CA -0.234 56.202 56.400 0.061 0.000 0.919 50 E CB 0.394 30.113 29.700 0.032 0.000 0.955 50 E HN 0.774 9.134 8.360 -0.000 0.000 0.455 51 T N 1.510 116.049 114.554 -0.026 0.000 2.913 51 T HA 0.071 4.061 4.350 -0.601 0.000 0.297 51 T C 1.222 175.913 174.700 -0.014 0.000 1.029 51 T CA -0.114 61.985 62.100 -0.001 0.000 1.104 51 T CB 1.454 70.314 68.868 -0.013 0.000 0.964 51 T HN 0.575 8.815 8.240 -0.000 0.000 0.532 52 T N -1.648 112.904 114.554 -0.003 0.000 3.054 52 T HA 0.046 4.035 4.350 -0.601 0.000 0.259 52 T C 0.633 175.326 174.700 -0.011 0.000 1.092 52 T CA 0.499 62.597 62.100 -0.004 0.000 1.121 52 T CB -0.255 68.616 68.868 0.004 0.000 0.912 52 T HN 0.770 9.010 8.240 -0.000 0.000 0.489 53 D N 0.562 120.953 120.400 -0.015 0.000 2.892 53 D HA 0.285 4.564 4.640 -0.601 0.000 0.291 53 D C -0.187 176.103 176.300 -0.017 0.000 1.341 53 D CA -0.755 53.235 54.000 -0.016 0.000 0.844 53 D CB -0.489 40.300 40.800 -0.018 0.000 1.093 53 D HN 0.085 8.455 8.370 -0.000 0.000 0.480 54 S N 1.089 116.780 115.700 -0.014 0.000 3.378 54 S HA -0.138 3.971 4.470 -0.601 0.000 0.365 54 S C -1.492 173.111 174.600 0.005 0.000 0.951 54 S CA 0.298 58.494 58.200 -0.006 0.000 1.274 54 S CB -0.782 62.407 63.200 -0.019 0.000 0.915 54 S HN 0.419 8.729 8.310 -0.000 0.000 0.513 55 P HA -0.006 4.414 4.420 -0.000 0.000 0.222 55 P C 0.864 178.189 177.300 0.041 0.000 1.147 55 P CA 0.816 63.921 63.100 0.008 0.000 0.790 55 P CB 0.097 31.791 31.700 -0.010 0.000 0.780 56 L N -2.324 118.953 121.223 0.090 0.000 2.700 56 L HA 0.456 4.435 4.340 -0.601 0.000 0.234 56 L C 0.671 177.621 176.870 0.134 0.000 1.156 56 L CA -0.210 54.733 54.840 0.171 0.000 0.946 56 L CB -0.444 41.829 42.059 0.356 0.000 1.216 56 L HN -0.002 8.228 8.230 -0.000 0.000 0.493 57 G N 0.591 109.417 108.800 0.042 0.000 2.697 57 G HA2 -0.110 3.490 3.960 -0.601 0.000 0.684 57 G HA3 -0.110 3.490 3.960 -0.601 0.000 0.684 57 G C -0.890 173.972 174.900 -0.064 0.000 1.274 57 G CA -0.952 44.137 45.100 -0.018 0.000 0.806 57 G HN 0.010 8.300 8.290 -0.000 0.000 0.644 58 K N -0.008 120.354 120.400 -0.063 0.000 2.138 58 K HA 0.536 4.495 4.320 -0.601 0.000 0.251 58 K C 1.416 177.951 176.600 -0.108 0.000 1.015 58 K CA 0.642 56.887 56.287 -0.070 0.000 0.917 58 K CB 0.864 33.336 32.500 -0.048 0.000 1.021 58 K HN 2.184 10.434 8.250 -0.000 0.000 0.485 59 G N 1.116 109.857 108.800 -0.099 0.000 2.198 59 G HA2 -0.254 3.345 3.960 -0.601 0.000 0.260 59 G HA3 -0.254 3.345 3.960 -0.601 0.000 0.260 59 G C -0.262 174.536 174.900 -0.170 0.000 1.025 59 G CA 0.133 45.167 45.100 -0.110 0.000 0.769 59 G HN 0.338 8.628 8.290 -0.000 0.000 0.507 60 L N -0.456 120.633 121.223 -0.224 0.000 2.333 60 L HA 0.536 4.516 4.340 -0.601 0.000 0.269 60 L C -0.537 176.190 176.870 -0.238 0.000 1.010 60 L CA -2.120 52.494 54.840 -0.377 0.000 0.818 60 L CB 1.851 43.469 42.059 -0.735 0.000 1.306 60 L HN -0.036 8.194 8.230 -0.000 0.000 0.430 61 P HA -0.031 4.389 4.420 -0.000 0.000 0.241 61 P C -0.305 177.084 177.300 0.148 0.000 1.191 61 P CA 0.105 63.197 63.100 -0.014 0.000 0.771 61 P CB 0.177 31.897 31.700 0.033 0.000 0.929 62 W N 1.208 122.509 121.300 0.002 0.000 2.231 62 W HA 0.137 4.441 4.660 -0.592 0.000 0.341 62 W C 0.249 176.741 176.519 -0.046 0.000 1.298 62 W CA -0.600 56.742 57.345 -0.005 0.000 1.266 62 W CB -0.310 29.155 29.460 0.007 0.000 1.172 62 W HN -0.309 7.871 8.180 -0.000 0.000 0.568 63 V N 5.312 125.315 119.914 0.149 0.000 2.495 63 V HA 0.441 4.201 4.120 -0.601 0.000 0.298 63 V C -0.338 175.661 176.094 -0.159 0.000 1.031 63 V CA -1.093 61.157 62.300 -0.084 0.000 0.871 63 V CB 1.583 33.303 31.823 -0.172 0.000 0.988 63 V HN 0.416 8.606 8.190 -0.000 0.000 0.432 64 L N 5.404 126.485 121.223 -0.237 0.000 2.349 64 L HA 0.622 4.602 4.340 -0.601 0.000 0.278 64 L C -1.517 175.198 176.870 -0.258 0.000 0.996 64 L CA -0.454 54.297 54.840 -0.148 0.000 0.825 64 L CB 1.399 43.450 42.059 -0.013 0.000 1.243 64 L HN 0.598 8.828 8.230 -0.000 0.000 0.412 65 Y N 3.079 123.428 120.300 0.081 0.000 2.331 65 Y HA 0.442 4.630 4.550 -0.603 0.000 0.338 65 Y C -0.228 175.739 175.900 0.111 0.000 0.992 65 Y CA -0.514 57.633 58.100 0.078 0.000 1.121 65 Y CB 1.191 39.670 38.460 0.033 0.000 1.184 65 Y HN 0.539 8.819 8.280 -0.000 0.000 0.469 66 H N 1.081 120.243 119.070 0.154 0.000 2.572 66 H HA 0.835 5.030 4.556 -0.602 0.000 0.359 66 H C -0.364 175.020 175.328 0.094 0.000 1.134 66 H CA -0.462 55.645 56.048 0.098 0.000 1.187 66 H CB 1.715 31.515 29.762 0.063 0.000 1.597 66 H HN 0.865 9.145 8.280 -0.000 0.000 0.524 67 G N 1.432 109.890 108.800 -0.571 0.000 2.600 67 G HA2 0.482 4.082 3.960 -0.601 0.000 0.293 67 G HA3 0.482 4.082 3.960 -0.601 0.000 0.293 67 G C -1.931 172.736 174.900 -0.388 0.000 1.408 67 G CA -0.495 44.401 45.100 -0.340 0.000 0.782 67 G HN 0.610 8.900 8.290 -0.000 0.000 0.482 68 V N 0.103 119.952 119.914 -0.108 0.000 2.709 68 V HA 0.596 4.355 4.120 -0.601 0.000 0.308 68 V C -1.155 175.010 176.094 0.118 0.000 1.062 68 V CA -0.695 61.595 62.300 -0.016 0.000 0.901 68 V CB 1.870 33.698 31.823 0.009 0.000 1.003 68 V HN 0.982 9.172 8.190 -0.000 0.000 0.425 69 H N 4.390 123.480 119.070 0.034 0.000 2.854 69 H HA 0.537 4.733 4.556 -0.600 0.000 0.275 69 H C 0.211 175.584 175.328 0.075 0.000 1.198 69 H CA -0.357 55.757 56.048 0.110 0.000 1.489 69 H CB 0.256 30.166 29.762 0.248 0.000 1.519 69 H HN 0.740 9.020 8.280 -0.000 0.000 0.503 70 K N 1.259 121.534 120.400 -0.208 0.000 1.979 70 K HA -0.253 3.706 4.320 -0.601 0.000 0.143 70 K C 0.274 176.838 176.600 -0.059 0.000 1.185 70 K CA 1.817 58.004 56.287 -0.166 0.000 0.336 70 K CB -1.135 31.220 32.500 -0.241 0.000 0.680 70 K HN 0.538 8.788 8.250 -0.000 0.000 0.783 71 D N 1.168 121.542 120.400 -0.044 0.000 2.378 71 D HA 0.060 4.339 4.640 -0.601 0.000 0.227 71 D C 0.137 176.439 176.300 0.004 0.000 1.012 71 D CA 0.886 54.876 54.000 -0.017 0.000 0.905 71 D CB -0.099 40.689 40.800 -0.021 0.000 0.895 71 D HN 0.129 8.499 8.370 -0.000 0.000 0.532 72 L N 1.039 122.277 121.223 0.025 0.000 2.333 72 L HA 0.349 4.329 4.340 -0.601 0.000 0.280 72 L C 0.084 176.967 176.870 0.022 0.000 1.004 72 L CA -0.716 54.144 54.840 0.033 0.000 0.820 72 L CB 1.832 43.930 42.059 0.064 0.000 1.247 72 L HN -0.367 7.863 8.230 -0.000 0.000 0.416 73 R N 4.770 125.277 120.500 0.013 0.000 2.298 73 R HA 0.471 4.450 4.340 -0.601 0.000 0.310 73 R C -0.846 175.437 176.300 -0.029 0.000 1.068 73 R CA -0.149 55.949 56.100 -0.004 0.000 0.957 73 R CB 0.731 31.081 30.300 0.083 0.000 1.003 73 R HN 0.472 8.742 8.270 -0.000 0.000 0.454 74 I N 3.100 123.599 120.570 -0.118 0.000 2.382 74 I HA 0.230 4.040 4.170 -0.601 0.000 0.286 74 I C -0.408 175.683 176.117 -0.043 0.000 1.002 74 I CA -0.700 60.556 61.300 -0.073 0.000 1.135 74 I CB 1.453 39.356 38.000 -0.161 0.000 1.288 74 I HN 0.454 8.664 8.210 -0.000 0.000 0.448 75 N N 6.011 124.768 118.700 0.095 0.000 2.392 75 N HA 0.460 4.839 4.740 -0.601 0.000 0.283 75 N C -0.982 174.638 175.510 0.184 0.000 1.003 75 N CA -0.418 52.727 53.050 0.158 0.000 0.892 75 N CB 2.965 41.553 38.487 0.167 0.000 1.193 75 N HN 0.170 8.550 8.380 -0.000 0.000 0.487 76 V N 2.354 122.382 119.914 0.189 0.000 2.384 76 V HA 0.395 4.154 4.120 -0.601 0.000 0.287 76 V C 0.024 176.256 176.094 0.230 0.000 1.020 76 V CA -0.711 61.718 62.300 0.215 0.000 0.850 76 V CB 1.909 33.808 31.823 0.127 0.000 0.987 76 V HN 0.291 8.481 8.190 -0.000 0.000 0.436 77 V N 4.361 124.370 119.914 0.157 0.000 2.495 77 V HA 0.550 4.310 4.120 -0.601 0.000 0.298 77 V C -0.454 175.680 176.094 0.066 0.000 1.031 77 V CA -0.251 62.094 62.300 0.076 0.000 0.871 77 V CB 1.925 33.748 31.823 0.001 0.000 0.988 77 V HN 1.019 9.209 8.190 -0.000 0.000 0.432 78 C N 6.579 125.912 119.300 0.056 0.000 2.547 78 C HA 0.443 4.542 4.460 -0.601 0.000 0.313 78 C C -1.318 173.687 174.990 0.024 0.000 1.191 78 C CA -0.976 58.081 59.018 0.065 0.000 1.474 78 C CB 2.584 30.419 27.740 0.158 0.000 2.081 78 C HN 0.722 8.952 8.230 -0.000 0.000 0.476 79 P HA 0.087 4.507 4.420 -0.000 0.000 0.230 79 P C 0.906 178.365 177.300 0.266 0.000 1.158 79 P CA 1.911 65.040 63.100 0.049 0.000 0.769 79 P CB 0.231 31.943 31.700 0.019 0.000 0.807 80 G N 0.652 109.556 108.800 0.174 0.000 2.562 80 G HA2 -0.274 3.325 3.960 -0.601 0.000 0.250 80 G HA3 -0.274 3.325 3.960 -0.601 0.000 0.250 80 G C -0.512 174.470 174.900 0.136 0.000 1.269 80 G CA -0.490 44.706 45.100 0.159 0.000 0.919 80 G HN 0.356 8.646 8.290 -0.000 0.000 0.574 81 R N 0.685 121.252 120.500 0.112 0.000 2.340 81 R HA 0.346 4.325 4.340 -0.601 0.000 0.300 81 R C -0.094 176.255 176.300 0.082 0.000 1.069 81 R CA -0.137 56.014 56.100 0.085 0.000 0.984 81 R CB 0.630 30.969 30.300 0.065 0.000 1.003 81 R HN 0.637 8.907 8.270 -0.000 0.000 0.459 82 D N 1.773 122.217 120.400 0.073 0.000 2.424 82 D HA 0.035 4.314 4.640 -0.601 0.000 0.244 82 D C 0.839 177.165 176.300 0.044 0.000 1.134 82 D CA 0.254 54.292 54.000 0.064 0.000 0.881 82 D CB 1.270 42.105 40.800 0.058 0.000 1.191 82 D HN 0.549 8.919 8.370 -0.000 0.000 0.445 83 A N 3.617 126.457 122.820 0.034 0.000 1.968 83 A HA 0.078 4.038 4.320 -0.601 0.000 0.217 83 A C 2.021 179.615 177.584 0.017 0.000 1.169 83 A CA 1.457 53.505 52.037 0.019 0.000 0.638 83 A CB -0.595 18.408 19.000 0.004 0.000 0.812 83 A HN 0.649 8.799 8.150 -0.000 0.000 0.446 84 A N -1.328 121.504 122.820 0.020 0.000 1.930 84 A HA 0.245 4.205 4.320 -0.601 0.000 0.215 84 A C 1.663 179.259 177.584 0.019 0.000 1.176 84 A CA 1.273 53.320 52.037 0.017 0.000 0.632 84 A CB -0.096 18.914 19.000 0.017 0.000 0.819 84 A HN 0.359 8.509 8.150 -0.000 0.000 0.445 85 L N -2.180 119.058 121.223 0.025 0.000 2.781 85 L HA 0.284 4.263 4.340 -0.601 0.000 0.245 85 L C 1.696 178.582 176.870 0.027 0.000 1.118 85 L CA 1.248 56.103 54.840 0.025 0.000 0.918 85 L CB -0.772 41.303 42.059 0.027 0.000 1.246 85 L HN 0.619 8.849 8.230 -0.000 0.000 0.526 86 G N 1.408 110.227 108.800 0.031 0.000 2.189 86 G HA2 -0.318 3.281 3.960 -0.601 0.000 0.267 86 G HA3 -0.318 3.281 3.960 -0.601 0.000 0.267 86 G C 0.420 175.344 174.900 0.041 0.000 0.975 86 G CA 0.857 45.977 45.100 0.034 0.000 0.644 86 G HN 0.402 8.692 8.290 -0.000 0.000 0.537 87 I N -2.491 118.105 120.570 0.044 0.000 3.062 87 I HA 0.671 4.480 4.170 -0.601 0.000 0.316 87 I C 0.088 176.241 176.117 0.060 0.000 1.041 87 I CA -2.201 59.128 61.300 0.048 0.000 1.069 87 I CB 0.489 38.515 38.000 0.043 0.000 1.300 87 I HN -0.068 8.142 8.210 -0.000 0.000 0.518 88 D N 1.833 122.271 120.400 0.064 0.000 2.458 88 D HA 0.019 4.299 4.640 -0.601 0.000 0.243 88 D C -0.166 176.179 176.300 0.075 0.000 1.146 88 D CA 0.357 54.402 54.000 0.074 0.000 0.877 88 D CB 0.781 41.625 40.800 0.073 0.000 1.176 88 D HN 0.544 8.914 8.370 -0.000 0.000 0.461 89 S N 1.638 117.392 115.700 0.090 0.000 4.053 89 S HA 0.090 4.200 4.470 -0.601 0.000 0.184 89 S C 0.791 175.439 174.600 0.080 0.000 1.324 89 S CA -0.658 57.598 58.200 0.094 0.000 0.956 89 S CB -0.592 62.688 63.200 0.132 0.000 1.503 89 S HN 0.326 8.636 8.310 -0.000 0.000 0.440 90 V N -0.001 119.954 119.914 0.069 0.000 3.237 90 V HA 0.857 4.617 4.120 -0.601 0.000 0.305 90 V C 0.819 176.950 176.094 0.060 0.000 1.096 90 V CA 0.110 62.447 62.300 0.062 0.000 1.130 90 V CB -0.335 31.523 31.823 0.059 0.000 1.048 90 V HN 0.769 8.959 8.190 -0.000 0.000 0.484 91 G N 1.906 110.742 108.800 0.059 0.000 2.603 91 G HA2 -0.004 3.596 3.960 -0.601 0.000 0.686 91 G HA3 -0.004 3.596 3.960 -0.601 0.000 0.686 91 G C 0.342 175.280 174.900 0.064 0.000 1.286 91 G CA 0.401 45.536 45.100 0.059 0.000 0.871 91 G HN 2.142 10.432 8.290 -0.000 0.000 0.568 92 T N -2.513 112.082 114.554 0.070 0.000 2.904 92 T HA 0.028 4.017 4.350 -0.601 0.000 0.267 92 T C 2.363 177.108 174.700 0.074 0.000 1.059 92 T CA 2.507 64.662 62.100 0.092 0.000 1.137 92 T CB -0.170 68.772 68.868 0.123 0.000 0.879 92 T HN 1.057 9.297 8.240 -0.000 0.000 0.467 93 V N 2.944 122.891 119.914 0.056 0.000 2.244 93 V HA -0.033 3.726 4.120 -0.601 0.000 0.244 93 V C -0.075 176.065 176.094 0.076 0.000 1.042 93 V CA 1.760 64.095 62.300 0.059 0.000 1.006 93 V CB -1.381 30.471 31.823 0.050 0.000 0.641 93 V HN 0.377 8.567 8.190 -0.000 0.000 0.446 94 P HA -0.151 4.269 4.420 -0.000 0.000 0.215 94 P C 1.716 179.003 177.300 -0.022 0.000 1.153 94 P CA 2.021 65.171 63.100 0.083 0.000 0.853 94 P CB -0.193 31.567 31.700 0.101 0.000 0.788 95 A N 0.287 123.106 122.820 -0.000 0.000 1.873 95 A HA -0.273 3.687 4.320 -0.601 0.000 0.218 95 A C 2.479 180.058 177.584 -0.007 0.000 1.193 95 A CA 2.896 54.923 52.037 -0.015 0.000 0.629 95 A CB -1.820 17.203 19.000 0.037 0.000 0.826 95 A HN 0.348 8.498 8.150 -0.000 0.000 0.447 96 S N -0.117 115.614 115.700 0.052 0.000 2.368 96 S HA -0.134 3.976 4.470 -0.601 0.000 0.225 96 S C 1.945 176.594 174.600 0.082 0.000 1.030 96 S CA 1.606 59.865 58.200 0.099 0.000 0.999 96 S CB -0.745 62.536 63.200 0.136 0.000 0.844 96 S HN 0.452 8.762 8.310 -0.000 0.000 0.459 97 L N 1.652 122.900 121.223 0.043 0.000 2.027 97 L HA 0.022 4.001 4.340 -0.601 0.000 0.206 97 L C 2.777 179.525 176.870 -0.204 0.000 1.074 97 L CA 1.680 56.562 54.840 0.070 0.000 0.745 97 L CB -0.787 41.410 42.059 0.230 0.000 0.898 97 L HN 0.484 8.714 8.230 -0.000 0.000 0.433 98 I N -3.120 117.112 120.570 -0.562 0.000 2.361 98 I HA -0.193 3.617 4.170 -0.601 0.000 0.251 98 I C 2.286 178.198 176.117 -0.340 0.000 1.133 98 I CA 1.469 62.260 61.300 -0.848 0.000 1.413 98 I CB -0.827 36.624 38.000 -0.915 0.000 1.073 98 I HN 0.100 8.310 8.210 -0.000 0.000 0.424 99 T N 1.388 115.853 114.554 -0.148 0.000 2.737 99 T HA -0.141 3.849 4.350 -0.601 0.000 0.265 99 T C 1.557 176.261 174.700 0.007 0.000 1.038 99 T CA 1.901 63.969 62.100 -0.053 0.000 1.144 99 T CB -0.557 68.316 68.868 0.008 0.000 0.866 99 T HN 0.464 8.704 8.240 -0.000 0.000 0.434 100 F N 2.328 122.244 119.950 -0.057 0.000 2.065 100 F HA -0.124 4.040 4.527 -0.604 0.000 0.298 100 F C 2.457 178.257 175.800 0.001 0.000 1.112 100 F CA 1.375 59.369 58.000 -0.009 0.000 1.212 100 F CB -0.634 38.387 39.000 0.035 0.000 0.975 100 F HN 0.143 8.443 8.300 -0.000 0.000 0.476 101 A N -0.995 121.863 122.820 0.063 0.000 1.969 101 A HA -0.093 3.867 4.320 -0.601 0.000 0.218 101 A C 2.304 179.857 177.584 -0.052 0.000 1.169 101 A CA 1.697 53.758 52.037 0.040 0.000 0.635 101 A CB -1.074 18.124 19.000 0.330 0.000 0.810 101 A HN 0.440 8.590 8.150 -0.000 0.000 0.445 102 S N -0.084 115.567 115.700 -0.082 0.000 2.368 102 S HA -0.078 4.032 4.470 -0.601 0.000 0.224 102 S C 1.797 176.337 174.600 -0.100 0.000 1.029 102 S CA 1.332 59.488 58.200 -0.074 0.000 0.988 102 S CB -0.451 62.702 63.200 -0.080 0.000 0.838 102 S HN 0.551 8.861 8.310 -0.000 0.000 0.462 103 I N 1.735 122.220 120.570 -0.141 0.000 2.163 103 I HA -0.267 3.543 4.170 -0.601 0.000 0.243 103 I C 2.747 178.753 176.117 -0.185 0.000 1.085 103 I CA 1.330 62.535 61.300 -0.159 0.000 1.347 103 I CB -0.393 37.506 38.000 -0.168 0.000 1.044 103 I HN 0.338 8.548 8.210 -0.000 0.000 0.408 104 Q N 0.280 119.916 119.800 -0.275 0.000 2.079 104 Q HA -0.171 3.808 4.340 -0.601 0.000 0.200 104 Q C 2.412 178.331 176.000 -0.135 0.000 0.974 104 Q CA 1.776 57.426 55.803 -0.254 0.000 0.840 104 Q CB -0.175 28.321 28.738 -0.403 0.000 0.898 104 Q HN 0.604 8.874 8.270 -0.000 0.000 0.430 105 A N 0.357 123.119 122.820 -0.097 0.000 1.903 105 A HA -0.002 3.957 4.320 -0.601 0.000 0.213 105 A C 1.859 179.416 177.584 -0.045 0.000 1.185 105 A CA 0.712 52.720 52.037 -0.049 0.000 0.628 105 A CB -0.167 18.827 19.000 -0.011 0.000 0.830 105 A HN 0.248 8.398 8.150 -0.000 0.000 0.446 106 L N -1.365 119.830 121.223 -0.047 0.000 2.554 106 L HA 0.120 4.100 4.340 -0.601 0.000 0.225 106 L C -0.068 176.779 176.870 -0.038 0.000 1.104 106 L CA -0.137 54.684 54.840 -0.031 0.000 0.866 106 L CB -0.050 42.003 42.059 -0.011 0.000 1.047 106 L HN 0.130 8.360 8.230 -0.000 0.000 0.468 107 K N 0.097 120.461 120.400 -0.060 0.000 3.490 107 K HA -0.145 3.814 4.320 -0.601 0.000 0.273 107 K C -2.281 174.283 176.600 -0.060 0.000 0.916 107 K CA 0.217 56.465 56.287 -0.064 0.000 0.718 107 K CB -1.772 30.696 32.500 -0.054 0.000 1.477 107 K HN 0.273 8.523 8.250 -0.000 0.000 0.452 108 P HA 0.153 4.573 4.420 -0.000 0.000 0.274 108 P C 0.435 177.675 177.300 -0.101 0.000 1.237 108 P CA -0.250 62.804 63.100 -0.078 0.000 0.793 108 P CB 0.663 32.308 31.700 -0.092 0.000 0.977 109 D N 0.235 120.570 120.400 -0.109 0.000 2.277 109 D HA 0.083 4.363 4.640 -0.601 0.000 0.208 109 D C 0.756 176.931 176.300 -0.208 0.000 0.962 109 D CA 1.143 55.058 54.000 -0.141 0.000 0.865 109 D CB 0.540 41.267 40.800 -0.121 0.000 0.939 109 D HN 0.320 8.690 8.370 -0.000 0.000 0.510 110 I N 0.248 120.693 120.570 -0.210 0.000 2.787 110 I HA 0.148 3.958 4.170 -0.601 0.000 0.294 110 I C -1.916 174.044 176.117 -0.262 0.000 1.365 110 I CA -0.718 60.421 61.300 -0.269 0.000 1.029 110 I CB 2.296 40.120 38.000 -0.294 0.000 1.313 110 I HN -0.372 7.838 8.210 -0.000 0.000 0.431 111 I N 7.436 127.834 120.570 -0.285 0.000 2.412 111 I HA 0.463 4.272 4.170 -0.601 0.000 0.296 111 I C -0.321 175.543 176.117 -0.421 0.000 0.987 111 I CA -0.568 60.545 61.300 -0.311 0.000 1.180 111 I CB 1.588 39.435 38.000 -0.256 0.000 1.340 111 I HN 0.399 8.609 8.210 -0.000 0.000 0.455 112 I N 5.244 125.497 120.570 -0.527 0.000 2.411 112 I HA 0.269 4.079 4.170 -0.601 0.000 0.284 112 I C 0.276 176.155 176.117 -0.396 0.000 1.012 112 I CA -0.460 60.486 61.300 -0.590 0.000 1.119 112 I CB 1.370 38.780 38.000 -0.984 0.000 1.261 112 I HN 0.551 8.761 8.210 -0.000 0.000 0.448 113 N N 5.941 124.433 118.700 -0.348 0.000 2.415 113 N HA 0.484 4.864 4.740 -0.601 0.000 0.246 113 N C -0.777 174.757 175.510 0.040 0.000 1.078 113 N CA -0.148 52.833 53.050 -0.114 0.000 0.942 113 N CB 0.907 39.349 38.487 -0.074 0.000 1.140 113 N HN 0.749 9.129 8.380 -0.000 0.000 0.501 114 A N 2.821 125.714 122.820 0.122 0.000 2.342 114 A HA 0.845 4.804 4.320 -0.601 0.000 0.323 114 A C 0.120 177.786 177.584 0.137 0.000 1.125 114 A CA -0.368 51.771 52.037 0.171 0.000 0.785 114 A CB 1.624 20.795 19.000 0.286 0.000 1.221 114 A HN 0.785 8.935 8.150 -0.000 0.000 0.463 115 G N -0.075 108.794 108.800 0.116 0.000 2.320 115 G HA2 0.587 4.186 3.960 -0.601 0.000 0.296 115 G HA3 0.587 4.186 3.960 -0.601 0.000 0.296 115 G C -0.360 174.578 174.900 0.065 0.000 1.306 115 G CA 0.185 45.335 45.100 0.083 0.000 0.836 115 G HN 1.415 9.705 8.290 -0.000 0.000 0.517 116 T N -2.390 112.189 114.554 0.042 0.000 2.849 116 T HA 0.659 4.648 4.350 -0.601 0.000 0.284 116 T C 0.547 175.252 174.700 0.007 0.000 1.004 116 T CA 0.279 62.390 62.100 0.018 0.000 1.021 116 T CB 0.851 69.719 68.868 0.001 0.000 1.013 116 T HN 2.169 10.409 8.240 -0.000 0.000 0.527 117 C N -0.568 118.719 119.300 -0.023 0.000 3.321 117 C HA 0.917 5.016 4.460 -0.601 0.000 0.329 117 C C 0.577 175.512 174.990 -0.093 0.000 1.394 117 C CA -0.697 58.292 59.018 -0.047 0.000 1.291 117 C CB 0.821 28.526 27.740 -0.058 0.000 1.606 117 C HN 1.292 9.522 8.230 -0.000 0.000 0.463 118 G N -0.201 108.525 108.800 -0.122 0.000 2.503 118 G HA2 0.627 4.226 3.960 -0.601 0.000 0.257 118 G HA3 0.627 4.226 3.960 -0.601 0.000 0.257 118 G C 0.025 174.761 174.900 -0.274 0.000 1.214 118 G CA 0.222 45.197 45.100 -0.210 0.000 0.839 118 G HN 1.758 10.048 8.290 -0.000 0.000 0.559 119 G N -0.882 107.707 108.800 -0.351 0.000 2.619 119 G HA2 0.570 4.169 3.960 -0.601 0.000 0.296 119 G HA3 0.570 4.169 3.960 -0.601 0.000 0.296 119 G C -1.455 173.163 174.900 -0.471 0.000 1.334 119 G CA -0.798 44.098 45.100 -0.341 0.000 0.934 119 G HN 0.395 8.685 8.290 -0.000 0.000 0.476 120 F N 1.105 120.984 119.950 -0.118 0.000 2.385 120 F HA 0.277 4.431 4.527 -0.620 0.000 0.360 120 F C 1.802 177.578 175.800 -0.041 0.000 1.122 120 F CA -0.897 57.059 58.000 -0.072 0.000 1.090 120 F CB 2.271 41.227 39.000 -0.074 0.000 1.150 120 F HN 0.681 8.981 8.300 -0.000 0.000 0.472 121 K N 0.945 121.393 120.400 0.081 0.000 2.152 121 K HA -0.154 3.805 4.320 -0.601 0.000 0.206 121 K C 1.440 178.098 176.600 0.096 0.000 1.048 121 K CA 1.896 58.225 56.287 0.071 0.000 0.933 121 K CB -0.502 32.020 32.500 0.036 0.000 0.721 121 K HN 0.536 8.786 8.250 -0.000 0.000 0.447 122 V N -1.476 118.513 119.914 0.125 0.000 3.141 122 V HA 0.040 3.800 4.120 -0.601 0.000 0.265 122 V C 1.166 177.304 176.094 0.073 0.000 1.126 122 V CA 0.906 63.258 62.300 0.086 0.000 1.141 122 V CB -0.318 31.545 31.823 0.067 0.000 0.743 122 V HN 0.170 8.360 8.190 -0.000 0.000 0.492 123 K N 0.924 121.389 120.400 0.109 0.000 2.372 123 K HA 0.390 4.349 4.320 -0.601 0.000 0.200 123 K C 1.414 178.089 176.600 0.126 0.000 1.022 123 K CA 0.623 56.963 56.287 0.089 0.000 1.125 123 K CB 0.488 33.036 32.500 0.079 0.000 0.855 123 K HN 0.841 9.091 8.250 -0.000 0.000 0.524 124 G N 1.087 109.963 108.800 0.126 0.000 2.144 124 G HA2 -0.246 3.353 3.960 -0.601 0.000 0.218 124 G HA3 -0.246 3.353 3.960 -0.601 0.000 0.218 124 G C 0.194 175.218 174.900 0.207 0.000 0.988 124 G CA 0.058 45.242 45.100 0.140 0.000 0.659 124 G HN 0.450 8.740 8.290 -0.000 0.000 0.522 125 A N 0.023 122.961 122.820 0.196 0.000 2.363 125 A HA 0.684 4.644 4.320 -0.601 0.000 0.270 125 A C 0.261 177.921 177.584 0.128 0.000 1.121 125 A CA -0.135 52.035 52.037 0.221 0.000 0.800 125 A CB 0.403 19.412 19.000 0.014 0.000 1.052 125 A HN 0.335 8.485 8.150 -0.000 0.000 0.493 126 N N 1.191 119.976 118.700 0.141 0.000 2.292 126 N HA 0.374 4.754 4.740 -0.601 0.000 0.303 126 N C -0.438 175.102 175.510 0.049 0.000 1.140 126 N CA -0.616 52.473 53.050 0.064 0.000 0.788 126 N CB 1.304 39.819 38.487 0.047 0.000 1.361 126 N HN 0.496 8.876 8.380 -0.000 0.000 0.489 127 I N 1.020 121.592 120.570 0.003 0.000 2.710 127 I HA -0.010 3.799 4.170 -0.601 0.000 0.286 127 I C 1.672 177.785 176.117 -0.006 0.000 1.181 127 I CA 1.054 62.340 61.300 -0.022 0.000 1.430 127 I CB -0.286 37.681 38.000 -0.055 0.000 1.367 127 I HN 0.900 9.110 8.210 -0.000 0.000 0.577 128 G N 5.100 113.898 108.800 -0.004 0.000 2.268 128 G HA2 -0.215 3.384 3.960 -0.601 0.000 0.240 128 G HA3 -0.215 3.384 3.960 -0.601 0.000 0.240 128 G C 0.151 175.069 174.900 0.030 0.000 1.010 128 G CA -0.252 44.850 45.100 0.003 0.000 0.618 128 G HN 0.568 8.858 8.290 -0.000 0.000 0.516 129 D N 0.782 121.222 120.400 0.066 0.000 2.493 129 D HA 0.377 4.657 4.640 -0.601 0.000 0.240 129 D C 0.545 176.933 176.300 0.147 0.000 1.142 129 D CA 0.439 54.494 54.000 0.091 0.000 0.872 129 D CB 1.491 42.414 40.800 0.205 0.000 1.173 129 D HN 0.269 8.639 8.370 -0.000 0.000 0.467 130 V N 4.216 124.171 119.914 0.067 0.000 2.328 130 V HA 0.246 4.006 4.120 -0.601 0.000 0.278 130 V C 0.010 176.155 176.094 0.085 0.000 1.021 130 V CA -0.739 61.628 62.300 0.113 0.000 0.838 130 V CB 0.165 32.025 31.823 0.062 0.000 0.999 130 V HN 0.272 8.462 8.190 -0.000 0.000 0.447 131 F N 4.238 124.198 119.950 0.017 0.000 2.385 131 F HA 0.533 4.707 4.527 -0.589 0.000 0.336 131 F C 0.107 175.929 175.800 0.037 0.000 1.100 131 F CA -0.657 57.355 58.000 0.019 0.000 1.116 131 F CB 1.430 40.438 39.000 0.014 0.000 1.166 131 F HN 0.297 8.597 8.300 -0.000 0.000 0.511 132 L N 3.338 124.661 121.223 0.166 0.000 2.312 132 L HA 0.530 4.509 4.340 -0.601 0.000 0.281 132 L C -0.738 176.249 176.870 0.194 0.000 1.070 132 L CA -0.329 54.599 54.840 0.146 0.000 0.805 132 L CB 1.153 43.248 42.059 0.059 0.000 1.174 132 L HN 0.322 8.552 8.230 -0.000 0.000 0.434 133 V N 4.686 124.721 119.914 0.202 0.000 2.439 133 V HA 0.267 4.026 4.120 -0.601 0.000 0.282 133 V C 1.039 177.194 176.094 0.102 0.000 1.039 133 V CA 0.419 62.788 62.300 0.116 0.000 0.913 133 V CB 1.374 33.173 31.823 -0.039 0.000 0.983 133 V HN 1.061 9.251 8.190 -0.000 0.000 0.460 134 S N 3.044 118.774 115.700 0.049 0.000 2.362 134 S HA 0.014 4.123 4.470 -0.601 0.000 0.221 134 S C 0.363 174.970 174.600 0.012 0.000 1.032 134 S CA 0.765 58.986 58.200 0.035 0.000 0.973 134 S CB -0.078 63.134 63.200 0.020 0.000 0.849 134 S HN 0.921 9.231 8.310 -0.000 0.000 0.465 135 D N -0.777 119.595 120.400 -0.047 0.000 2.639 135 D HA 0.608 4.887 4.640 -0.601 0.000 0.271 135 D C -1.290 174.900 176.300 -0.183 0.000 1.254 135 D CA -0.863 53.091 54.000 -0.076 0.000 0.810 135 D CB 1.389 42.165 40.800 -0.040 0.000 1.351 135 D HN 0.128 8.498 8.370 -0.000 0.000 0.427 136 V N -0.804 118.986 119.914 -0.206 0.000 2.914 136 V HA 0.853 4.612 4.120 -0.601 0.000 0.314 136 V C 0.034 175.983 176.094 -0.242 0.000 1.084 136 V CA -0.843 61.274 62.300 -0.305 0.000 0.963 136 V CB 1.610 33.147 31.823 -0.476 0.000 1.025 136 V HN 0.900 9.090 8.190 -0.000 0.000 0.432 137 V N -0.763 118.986 119.914 -0.275 0.000 3.181 137 V HA 0.741 4.501 4.120 -0.601 0.000 0.308 137 V C -1.231 174.637 176.094 -0.377 0.000 1.214 137 V CA -0.927 61.235 62.300 -0.230 0.000 1.053 137 V CB 2.103 33.879 31.823 -0.077 0.000 1.069 137 V HN 0.549 8.739 8.190 -0.000 0.000 0.441 138 F N 1.192 121.074 119.950 -0.113 0.000 2.399 138 F HA 0.657 5.097 4.527 -0.146 0.000 0.328 138 F C 1.152 176.878 175.800 -0.123 0.000 1.084 138 F CA 0.005 57.893 58.000 -0.188 0.000 1.053 138 F CB 1.328 40.203 39.000 -0.208 0.000 1.209 138 F HN 0.903 9.203 8.300 -0.000 0.000 0.502 139 H N -2.276 116.895 119.070 0.169 0.000 2.827 139 H HA 0.212 4.456 4.556 -0.520 0.000 0.269 139 H C -0.057 175.312 175.328 0.068 0.000 1.031 139 H CA 0.026 56.126 56.048 0.087 0.000 1.202 139 H CB -0.018 29.775 29.762 0.052 0.000 1.511 139 H HN 0.445 8.725 8.280 -0.000 0.000 0.517 140 D N 0.294 120.694 120.400 -0.001 0.000 2.650 140 D HA 0.124 4.403 4.640 -0.601 0.000 0.265 140 D C 0.052 176.306 176.300 -0.076 0.000 1.339 140 D CA -0.510 53.492 54.000 0.003 0.000 0.816 140 D CB 0.069 40.870 40.800 0.001 0.000 1.091 140 D HN 0.028 8.398 8.370 -0.000 0.000 0.483 141 R N 0.702 121.139 120.500 -0.104 0.000 3.050 141 R HA 0.353 4.333 4.340 -0.601 0.000 0.275 141 R C -0.415 175.848 176.300 -0.063 0.000 1.373 141 R CA -0.299 55.700 56.100 -0.168 0.000 1.612 141 R CB 0.351 30.423 30.300 -0.381 0.000 1.218 141 R HN -0.026 8.244 8.270 -0.000 0.000 0.621 142 R N 1.981 122.468 120.500 -0.022 0.000 2.210 142 R HA 0.354 4.333 4.340 -0.601 0.000 0.338 142 R C -0.247 176.063 176.300 0.017 0.000 1.062 142 R CA -0.048 56.058 56.100 0.011 0.000 0.902 142 R CB 0.796 31.105 30.300 0.016 0.000 1.050 142 R HN 0.307 8.577 8.270 -0.000 0.000 0.461 143 I N 4.720 125.319 120.570 0.048 0.000 2.698 143 I HA 0.217 4.027 4.170 -0.601 0.000 0.276 143 I C -2.049 174.109 176.117 0.068 0.000 1.166 143 I CA -2.042 59.295 61.300 0.061 0.000 1.101 143 I CB 1.771 39.858 38.000 0.146 0.000 1.305 143 I HN 0.311 8.521 8.210 -0.000 0.000 0.526 144 P HA 0.237 4.657 4.420 -0.000 0.000 0.220 144 P C -0.454 176.863 177.300 0.028 0.000 1.806 144 P CA 0.222 63.342 63.100 0.034 0.000 0.976 144 P CB -0.393 31.318 31.700 0.018 0.000 1.952 145 I N -2.966 117.639 120.570 0.059 0.000 2.969 145 I HA 0.695 4.504 4.170 -0.601 0.000 0.307 145 I C -3.049 173.159 176.117 0.152 0.000 1.149 145 I CA -3.755 57.582 61.300 0.061 0.000 1.008 145 I CB 2.316 40.298 38.000 -0.030 0.000 1.232 145 I HN -0.305 7.905 8.210 -0.000 0.000 0.435 146 P HA 0.160 4.580 4.420 -0.000 0.000 0.266 146 P C 0.287 177.701 177.300 0.190 0.000 1.195 146 P CA 0.094 63.276 63.100 0.136 0.000 0.768 146 P CB 0.310 32.067 31.700 0.095 0.000 0.838 147 M N -0.139 119.529 119.600 0.113 0.000 2.816 147 M HA -0.256 3.864 4.480 -0.601 0.000 0.152 147 M C 0.916 177.221 176.300 0.009 0.000 0.690 147 M CA 1.628 56.953 55.300 0.043 0.000 0.578 147 M CB -2.551 30.020 32.600 -0.049 0.000 2.121 147 M HN 0.358 8.648 8.290 -0.000 0.000 0.269 148 F N 1.363 121.350 119.950 0.063 0.000 2.335 148 F HA -0.076 4.088 4.527 -0.605 0.000 0.296 148 F C 2.127 178.018 175.800 0.152 0.000 1.091 148 F CA 1.584 59.650 58.000 0.110 0.000 1.399 148 F CB -0.281 38.753 39.000 0.056 0.000 1.067 148 F HN 0.397 8.697 8.300 -0.000 0.000 0.520 149 D N 0.834 121.393 120.400 0.265 0.000 2.104 149 D HA -0.222 4.057 4.640 -0.601 0.000 0.194 149 D C 1.939 178.315 176.300 0.128 0.000 0.994 149 D CA 1.625 55.722 54.000 0.162 0.000 0.830 149 D CB -1.063 39.803 40.800 0.111 0.000 0.959 149 D HN 0.292 8.662 8.370 -0.000 0.000 0.452 150 L N -1.051 120.244 121.223 0.121 0.000 2.093 150 L HA -0.117 3.862 4.340 -0.601 0.000 0.208 150 L C 2.698 179.639 176.870 0.118 0.000 1.085 150 L CA 1.093 55.991 54.840 0.097 0.000 0.755 150 L CB -0.789 41.316 42.059 0.078 0.000 0.904 150 L HN 0.002 8.232 8.230 -0.000 0.000 0.435 151 Y N 1.483 121.794 120.300 0.019 0.000 2.128 151 Y HA -0.225 3.983 4.550 -0.570 0.000 0.284 151 Y C 2.364 178.287 175.900 0.038 0.000 1.154 151 Y CA 1.579 59.688 58.100 0.014 0.000 1.149 151 Y CB -0.782 37.643 38.460 -0.058 0.000 0.976 151 Y HN 0.064 8.344 8.280 -0.000 0.000 0.505 152 G N -0.322 108.436 108.800 -0.070 0.000 2.450 152 G HA2 -0.250 3.349 3.960 -0.601 0.000 0.220 152 G HA3 -0.250 3.349 3.960 -0.601 0.000 0.220 152 G C 1.681 176.542 174.900 -0.065 0.000 1.130 152 G CA 1.451 46.448 45.100 -0.172 0.000 0.760 152 G HN 0.407 8.697 8.290 -0.000 0.000 0.557 153 V N 1.268 121.197 119.914 0.024 0.000 2.392 153 V HA 0.057 3.816 4.120 -0.601 0.000 0.249 153 V C 2.407 178.582 176.094 0.136 0.000 1.059 153 V CA 1.411 63.758 62.300 0.079 0.000 1.051 153 V CB -1.261 30.594 31.823 0.054 0.000 0.658 153 V HN 0.833 9.023 8.190 -0.000 0.000 0.455 154 G N 0.621 109.487 108.800 0.110 0.000 2.305 154 G HA2 -0.281 3.318 3.960 -0.601 0.000 0.287 154 G HA3 -0.281 3.318 3.960 -0.601 0.000 0.287 154 G C -0.072 174.861 174.900 0.054 0.000 1.036 154 G CA 0.527 45.721 45.100 0.156 0.000 0.887 154 G HN 0.516 8.806 8.290 -0.000 0.000 0.505 155 L N 0.238 121.483 121.223 0.036 0.000 2.500 155 L HA 0.616 4.595 4.340 -0.601 0.000 0.272 155 L C 0.653 177.534 176.870 0.019 0.000 1.149 155 L CA 0.278 55.118 54.840 0.001 0.000 0.897 155 L CB 0.145 42.208 42.059 0.007 0.000 1.178 155 L HN 0.356 8.586 8.230 -0.000 0.000 0.473 156 R N 3.428 123.927 120.500 -0.002 0.000 2.725 156 R HA 0.473 4.453 4.340 -0.601 0.000 0.277 156 R C -1.114 175.202 176.300 0.027 0.000 0.987 156 R CA -0.952 55.167 56.100 0.033 0.000 0.901 156 R CB 1.749 32.091 30.300 0.070 0.000 1.207 156 R HN 0.520 8.790 8.270 -0.000 0.000 0.463 157 Q N 1.108 120.938 119.800 0.051 0.000 2.256 157 Q HA 0.378 4.357 4.340 -0.601 0.000 0.254 157 Q C -0.295 175.780 176.000 0.126 0.000 0.916 157 Q CA -0.385 55.451 55.803 0.056 0.000 0.932 157 Q CB 1.838 30.592 28.738 0.027 0.000 1.207 157 Q HN 0.696 8.966 8.270 -0.000 0.000 0.426 158 A N 2.524 125.446 122.820 0.169 0.000 2.425 158 A HA 0.175 4.135 4.320 -0.601 0.000 0.242 158 A C -0.247 177.446 177.584 0.181 0.000 1.077 158 A CA -0.356 51.848 52.037 0.279 0.000 0.781 158 A CB 0.033 19.249 19.000 0.360 0.000 1.020 158 A HN 0.654 8.804 8.150 -0.000 0.000 0.494 159 F N 1.986 121.967 119.950 0.052 0.000 2.623 159 F HA 0.146 4.309 4.527 -0.607 0.000 0.383 159 F C 1.254 177.069 175.800 0.025 0.000 1.077 159 F CA 1.055 59.066 58.000 0.018 0.000 1.268 159 F CB 0.535 39.526 39.000 -0.016 0.000 1.053 159 F HN 0.470 8.770 8.300 -0.000 0.000 0.571 160 S N 3.737 119.076 115.700 -0.601 0.000 2.481 160 S HA 0.175 4.284 4.470 -0.601 0.000 0.282 160 S C 0.331 174.829 174.600 -0.171 0.000 1.243 160 S CA 0.079 58.077 58.200 -0.336 0.000 1.078 160 S CB -0.398 62.576 63.200 -0.376 0.000 0.916 160 S HN 0.802 9.112 8.310 -0.000 0.000 0.495 161 T N 3.841 118.394 114.554 -0.003 0.000 3.514 161 T HA 0.414 4.403 4.350 -0.601 0.000 0.259 161 T C -1.814 172.900 174.700 0.022 0.000 1.466 161 T CA -1.261 60.885 62.100 0.076 0.000 1.562 161 T CB 1.063 70.004 68.868 0.121 0.000 0.924 161 T HN 0.401 8.641 8.240 -0.000 0.000 0.678 162 P HA -0.059 4.361 4.420 -0.000 0.000 0.217 162 P C 1.176 178.478 177.300 0.003 0.000 1.150 162 P CA 0.943 64.041 63.100 -0.002 0.000 0.832 162 P CB 0.229 31.928 31.700 -0.002 0.000 0.787 163 N N 0.253 118.990 118.700 0.063 0.000 2.142 163 N HA -0.099 4.280 4.740 -0.601 0.000 0.186 163 N C 1.986 177.423 175.510 -0.121 0.000 1.023 163 N CA 0.674 53.791 53.050 0.112 0.000 0.852 163 N CB -1.078 37.615 38.487 0.343 0.000 0.998 163 N HN 0.192 8.572 8.380 -0.000 0.000 0.424 164 L N 0.819 121.828 121.223 -0.357 0.000 2.046 164 L HA -0.060 3.920 4.340 -0.601 0.000 0.208 164 L C 2.205 178.821 176.870 -0.423 0.000 1.077 164 L CA 0.929 55.248 54.840 -0.868 0.000 0.747 164 L CB -0.212 41.495 42.059 -0.587 0.000 0.896 164 L HN 0.125 8.355 8.230 -0.000 0.000 0.432 165 L N 0.378 121.474 121.223 -0.212 0.000 1.994 165 L HA -0.265 3.714 4.340 -0.601 0.000 0.208 165 L C 3.085 179.882 176.870 -0.121 0.000 1.071 165 L CA 2.221 56.980 54.840 -0.135 0.000 0.745 165 L CB -0.600 41.413 42.059 -0.076 0.000 0.892 165 L HN 0.334 8.564 8.230 -0.000 0.000 0.431 166 K N -0.066 120.278 120.400 -0.094 0.000 2.074 166 K HA -0.295 3.665 4.320 -0.601 0.000 0.209 166 K C 1.806 178.364 176.600 -0.069 0.000 1.048 166 K CA 2.012 58.264 56.287 -0.059 0.000 0.926 166 K CB -1.010 31.477 32.500 -0.020 0.000 0.713 166 K HN 0.585 8.835 8.250 -0.000 0.000 0.444 167 E N -0.282 119.849 120.200 -0.117 0.000 2.028 167 E HA -0.056 3.934 4.350 -0.601 0.000 0.191 167 E C 1.814 178.351 176.600 -0.105 0.000 0.988 167 E CA 1.128 57.470 56.400 -0.098 0.000 0.799 167 E CB -0.101 29.500 29.700 -0.164 0.000 0.755 167 E HN 0.301 8.661 8.360 -0.000 0.000 0.447 168 L N 0.965 122.088 121.223 -0.166 0.000 2.446 168 L HA 0.156 4.136 4.340 -0.601 0.000 0.219 168 L C 0.469 177.281 176.870 -0.096 0.000 1.116 168 L CA 0.785 55.552 54.840 -0.122 0.000 0.844 168 L CB -1.060 40.911 42.059 -0.146 0.000 0.970 168 L HN 0.294 8.524 8.230 -0.000 0.000 0.457 169 N N 0.097 118.736 118.700 -0.101 0.000 2.725 169 N HA -0.244 4.135 4.740 -0.601 0.000 0.251 169 N C -0.556 174.883 175.510 -0.119 0.000 1.031 169 N CA 0.344 53.337 53.050 -0.094 0.000 0.720 169 N CB -1.204 37.239 38.487 -0.073 0.000 0.930 169 N HN 0.248 8.628 8.380 -0.000 0.000 0.543 170 L N 0.418 121.562 121.223 -0.131 0.000 2.349 170 L HA 0.203 4.182 4.340 -0.601 0.000 0.275 170 L C 1.261 177.987 176.870 -0.240 0.000 1.115 170 L CA -0.521 54.214 54.840 -0.175 0.000 0.820 170 L CB 0.585 42.570 42.059 -0.123 0.000 1.135 170 L HN 0.132 8.362 8.230 -0.000 0.000 0.445 171 K N 3.328 123.463 120.400 -0.443 0.000 2.494 171 K HA 0.290 4.250 4.320 -0.601 0.000 0.273 171 K C -0.512 175.837 176.600 -0.418 0.000 0.970 171 K CA 0.321 56.230 56.287 -0.630 0.000 0.963 171 K CB 0.595 32.271 32.500 -1.372 0.000 0.913 171 K HN 0.424 8.674 8.250 -0.000 0.000 0.502 172 I N -0.181 120.344 120.570 -0.074 0.000 2.828 172 I HA 0.559 4.368 4.170 -0.601 0.000 0.302 172 I C 0.185 176.493 176.117 0.319 0.000 1.101 172 I CA -0.805 60.599 61.300 0.174 0.000 1.031 172 I CB 2.450 40.489 38.000 0.065 0.000 1.231 172 I HN 0.813 9.023 8.210 -0.000 0.000 0.427 173 G N 2.730 111.685 108.800 0.257 0.000 2.356 173 G HA2 0.343 3.943 3.960 -0.601 0.000 0.294 173 G HA3 0.343 3.943 3.960 -0.601 0.000 0.294 173 G C -1.970 172.945 174.900 0.024 0.000 1.423 173 G CA -0.916 44.264 45.100 0.133 0.000 0.806 173 G HN 0.653 8.943 8.290 -0.000 0.000 0.527 174 R N -0.399 120.084 120.500 -0.030 0.000 2.410 174 R HA 0.647 4.627 4.340 -0.601 0.000 0.288 174 R C -0.949 175.283 176.300 -0.114 0.000 1.051 174 R CA -0.618 55.436 56.100 -0.077 0.000 1.021 174 R CB 1.165 31.424 30.300 -0.067 0.000 1.032 174 R HN 0.517 8.787 8.270 -0.000 0.000 0.481 175 L N 2.755 123.873 121.223 -0.173 0.000 2.295 175 L HA 0.390 4.369 4.340 -0.601 0.000 0.285 175 L C -0.923 175.854 176.870 -0.155 0.000 1.035 175 L CA 0.281 55.007 54.840 -0.190 0.000 0.806 175 L CB 1.906 43.779 42.059 -0.309 0.000 1.214 175 L HN 0.622 8.852 8.230 -0.000 0.000 0.426 176 S N 2.880 118.556 115.700 -0.041 0.000 2.449 176 S HA 0.693 4.803 4.470 -0.601 0.000 0.310 176 S C -0.499 174.183 174.600 0.135 0.000 1.096 176 S CA -0.395 57.851 58.200 0.078 0.000 1.095 176 S CB 0.686 64.029 63.200 0.238 0.000 1.007 176 S HN 0.797 9.107 8.310 -0.000 0.000 0.474 177 T N 3.687 118.164 114.554 -0.128 0.000 2.824 177 T HA 0.787 4.777 4.350 -0.601 0.000 0.280 177 T C 0.199 174.581 174.700 -0.531 0.000 0.995 177 T CA -0.502 61.468 62.100 -0.217 0.000 1.009 177 T CB 1.462 70.137 68.868 -0.321 0.000 0.955 177 T HN 0.825 9.065 8.240 -0.000 0.000 0.452 178 G N 0.518 109.107 108.800 -0.351 0.000 2.660 178 G HA2 0.414 4.014 3.960 -0.601 0.000 0.290 178 G HA3 0.414 4.014 3.960 -0.601 0.000 0.290 178 G C -0.523 174.380 174.900 0.005 0.000 1.432 178 G CA -0.630 44.305 45.100 -0.275 0.000 0.807 178 G HN 0.560 8.850 8.290 -0.000 0.000 0.485 179 D N 0.076 120.490 120.400 0.023 0.000 2.324 179 D HA 0.133 4.412 4.640 -0.601 0.000 0.235 179 D C 0.364 176.700 176.300 0.061 0.000 1.095 179 D CA 0.667 54.693 54.000 0.043 0.000 0.871 179 D CB 0.435 41.249 40.800 0.023 0.000 0.906 179 D HN 0.126 8.496 8.370 -0.000 0.000 0.522 180 S N 0.613 116.368 115.700 0.092 0.000 2.482 180 S HA 0.178 4.287 4.470 -0.601 0.000 0.303 180 S C 0.760 175.413 174.600 0.088 0.000 1.091 180 S CA -0.674 57.577 58.200 0.084 0.000 1.057 180 S CB 2.624 65.874 63.200 0.084 0.000 1.031 180 S HN 0.041 8.351 8.310 -0.000 0.000 0.485 181 L N 2.636 123.896 121.223 0.061 0.000 2.156 181 L HA 0.080 4.059 4.340 -0.601 0.000 0.208 181 L C 0.782 177.674 176.870 0.036 0.000 1.095 181 L CA 1.574 56.444 54.840 0.050 0.000 0.770 181 L CB -0.483 41.602 42.059 0.044 0.000 0.914 181 L HN 0.770 9.000 8.230 -0.000 0.000 0.439 182 D N -0.441 119.981 120.400 0.036 0.000 2.440 182 D HA 0.187 4.466 4.640 -0.601 0.000 0.269 182 D C -0.133 176.180 176.300 0.022 0.000 1.249 182 D CA -0.405 53.609 54.000 0.022 0.000 1.055 182 D CB 0.475 41.288 40.800 0.022 0.000 1.104 182 D HN 0.157 8.527 8.370 -0.000 0.000 0.561 183 M N 0.729 120.336 119.600 0.012 0.000 2.122 183 M HA 0.253 4.373 4.480 -0.601 0.000 0.269 183 M C -0.800 175.508 176.300 0.014 0.000 0.954 183 M CA -0.419 54.885 55.300 0.006 0.000 0.998 183 M CB 1.363 33.957 32.600 -0.010 0.000 1.755 183 M HN 0.588 8.878 8.290 -0.000 0.000 0.459 184 S N 2.166 117.879 115.700 0.022 0.000 2.608 184 S HA 0.240 4.350 4.470 -0.601 0.000 0.261 184 S C 1.143 175.753 174.600 0.016 0.000 1.314 184 S CA 0.327 58.540 58.200 0.022 0.000 0.992 184 S CB 0.882 64.100 63.200 0.030 0.000 0.935 184 S HN 0.812 9.122 8.310 -0.000 0.000 0.564 185 T N -1.496 113.067 114.554 0.014 0.000 2.812 185 T HA -0.143 3.846 4.350 -0.601 0.000 0.264 185 T C 1.801 176.506 174.700 0.009 0.000 1.042 185 T CA 1.313 63.419 62.100 0.010 0.000 1.140 185 T CB -0.724 68.149 68.868 0.009 0.000 0.870 185 T HN 0.634 8.874 8.240 -0.000 0.000 0.445 186 Q N 1.877 121.686 119.800 0.015 0.000 2.112 186 Q HA -0.184 3.795 4.340 -0.601 0.000 0.206 186 Q C 1.785 177.801 176.000 0.027 0.000 0.987 186 Q CA 2.200 58.016 55.803 0.021 0.000 0.858 186 Q CB -0.755 27.999 28.738 0.027 0.000 0.905 186 Q HN 0.545 8.815 8.270 -0.000 0.000 0.420 187 D N -0.077 120.342 120.400 0.032 0.000 2.097 187 D HA -0.184 4.096 4.640 -0.601 0.000 0.195 187 D C 1.659 177.927 176.300 -0.053 0.000 0.989 187 D CA 1.453 55.464 54.000 0.019 0.000 0.827 187 D CB -0.364 40.435 40.800 -0.000 0.000 0.966 187 D HN 0.555 8.925 8.370 -0.000 0.000 0.456 188 E N 0.100 120.278 120.200 -0.036 0.000 2.085 188 E HA -0.176 3.814 4.350 -0.601 0.000 0.194 188 E C 1.728 178.294 176.600 -0.057 0.000 0.994 188 E CA 1.441 57.820 56.400 -0.034 0.000 0.801 188 E CB 0.102 29.803 29.700 0.003 0.000 0.743 188 E HN 0.113 8.473 8.360 -0.000 0.000 0.453 189 T N 1.062 115.597 114.554 -0.032 0.000 2.720 189 T HA -0.138 3.852 4.350 -0.601 0.000 0.268 189 T C 1.837 176.517 174.700 -0.035 0.000 1.037 189 T CA 1.253 63.334 62.100 -0.031 0.000 1.144 189 T CB -0.116 68.745 68.868 -0.011 0.000 0.864 189 T HN 0.152 8.392 8.240 -0.000 0.000 0.444 190 L N -0.045 121.171 121.223 -0.013 0.000 2.131 190 L HA 0.108 4.087 4.340 -0.601 0.000 0.206 190 L C 2.368 179.228 176.870 -0.016 0.000 1.087 190 L CA 0.744 55.590 54.840 0.010 0.000 0.767 190 L CB -0.444 41.654 42.059 0.065 0.000 0.917 190 L HN 0.242 8.472 8.230 -0.000 0.000 0.441 191 I N 0.010 120.543 120.570 -0.061 0.000 2.208 191 I HA -0.341 3.468 4.170 -0.601 0.000 0.245 191 I C 2.386 178.382 176.117 -0.203 0.000 1.097 191 I CA 1.670 62.894 61.300 -0.127 0.000 1.363 191 I CB -0.223 37.667 38.000 -0.183 0.000 1.051 191 I HN 0.184 8.394 8.210 -0.000 0.000 0.413 192 I N 0.578 121.020 120.570 -0.213 0.000 2.202 192 I HA -0.263 3.547 4.170 -0.601 0.000 0.242 192 I C 2.804 178.838 176.117 -0.138 0.000 1.091 192 I CA 1.312 62.479 61.300 -0.222 0.000 1.368 192 I CB -0.472 37.420 38.000 -0.179 0.000 1.058 192 I HN 0.171 8.381 8.210 -0.000 0.000 0.410 193 A N 0.843 123.610 122.820 -0.088 0.000 1.908 193 A HA -0.201 3.758 4.320 -0.601 0.000 0.218 193 A C 1.908 179.461 177.584 -0.051 0.000 1.181 193 A CA 1.859 53.863 52.037 -0.055 0.000 0.627 193 A CB -0.606 18.376 19.000 -0.030 0.000 0.818 193 A HN 0.418 8.568 8.150 -0.000 0.000 0.445 194 N N -0.303 118.366 118.700 -0.051 0.000 2.461 194 N HA -0.010 4.369 4.740 -0.601 0.000 0.188 194 N C -0.174 175.297 175.510 -0.066 0.000 1.134 194 N CA 1.027 54.051 53.050 -0.042 0.000 0.878 194 N CB -0.185 38.292 38.487 -0.017 0.000 0.972 194 N HN 0.499 8.879 8.380 -0.000 0.000 0.456 195 D N -0.549 119.792 120.400 -0.100 0.000 2.699 195 D HA -0.183 4.097 4.640 -0.601 0.000 0.239 195 D C -0.521 175.708 176.300 -0.119 0.000 1.136 195 D CA 0.558 54.488 54.000 -0.116 0.000 0.668 195 D CB -1.126 39.628 40.800 -0.076 0.000 1.060 195 D HN 0.349 8.719 8.370 -0.000 0.000 0.429 196 A N -0.155 122.574 122.820 -0.152 0.000 2.354 196 A HA 0.557 4.516 4.320 -0.601 0.000 0.269 196 A C 1.517 179.044 177.584 -0.094 0.000 1.109 196 A CA 0.350 52.325 52.037 -0.104 0.000 0.800 196 A CB 0.904 19.871 19.000 -0.056 0.000 1.045 196 A HN 0.268 8.418 8.150 -0.000 0.000 0.489 197 T N 1.650 116.181 114.554 -0.039 0.000 3.031 197 T HA 0.237 4.226 4.350 -0.601 0.000 0.254 197 T C 0.394 175.103 174.700 0.015 0.000 1.060 197 T CA 0.875 62.971 62.100 -0.006 0.000 1.135 197 T CB -0.329 68.467 68.868 -0.119 0.000 0.896 197 T HN 0.475 8.715 8.240 -0.000 0.000 0.472 198 L N 0.494 121.676 121.223 -0.068 0.000 2.333 198 L HA 0.632 4.612 4.340 -0.601 0.000 0.263 198 L C -0.553 176.304 176.870 -0.021 0.000 1.014 198 L CA -1.081 53.678 54.840 -0.135 0.000 0.820 198 L CB 2.240 44.134 42.059 -0.275 0.000 1.352 198 L HN -0.195 8.035 8.230 -0.000 0.000 0.421 199 K N 1.620 121.993 120.400 -0.044 0.000 2.507 199 K HA 0.452 4.412 4.320 -0.601 0.000 0.251 199 K C -2.025 174.582 176.600 0.012 0.000 0.943 199 K CA -0.422 55.880 56.287 0.025 0.000 0.794 199 K CB 1.925 34.423 32.500 -0.003 0.000 1.188 199 K HN 0.795 9.045 8.250 -0.000 0.000 0.428 200 D N 3.199 123.636 120.400 0.062 0.000 2.895 200 D HA 0.234 4.514 4.640 -0.601 0.000 0.320 200 D C 0.016 176.356 176.300 0.067 0.000 1.249 200 D CA -0.539 53.486 54.000 0.042 0.000 0.997 200 D CB 0.853 41.659 40.800 0.010 0.000 1.430 200 D HN 0.527 8.897 8.370 -0.000 0.000 0.558 201 M N -0.879 118.752 119.600 0.050 0.000 2.300 201 M HA 0.264 4.383 4.480 -0.601 0.000 0.313 201 M C 0.099 176.431 176.300 0.055 0.000 0.988 201 M CA 0.134 55.468 55.300 0.055 0.000 1.012 201 M CB 0.979 33.616 32.600 0.062 0.000 1.586 201 M HN 0.269 8.559 8.290 -0.000 0.000 0.562 202 E N -0.430 119.798 120.200 0.047 0.000 2.467 202 E HA 0.218 4.207 4.350 -0.601 0.000 0.213 202 E C 1.866 178.502 176.600 0.060 0.000 0.823 202 E CA 0.558 56.997 56.400 0.066 0.000 1.233 202 E CB -0.185 29.561 29.700 0.076 0.000 1.233 202 E HN 0.319 8.679 8.360 -0.000 0.000 0.585 203 G N 1.505 110.317 108.800 0.019 0.000 2.514 203 G HA2 -0.326 3.273 3.960 -0.601 0.000 0.217 203 G HA3 -0.326 3.273 3.960 -0.601 0.000 0.217 203 G C 1.645 176.537 174.900 -0.014 0.000 1.198 203 G CA 1.327 46.457 45.100 0.050 0.000 0.780 203 G HN 0.364 8.654 8.290 -0.000 0.000 0.565 204 A N 0.674 123.303 122.820 -0.317 0.000 2.070 204 A HA 0.356 4.316 4.320 -0.601 0.000 0.220 204 A C 2.697 180.150 177.584 -0.219 0.000 1.159 204 A CA 2.065 53.775 52.037 -0.545 0.000 0.656 204 A CB -0.471 17.690 19.000 -1.399 0.000 0.800 204 A HN 0.778 8.928 8.150 -0.000 0.000 0.453 205 A N -0.508 122.337 122.820 0.041 0.000 1.874 205 A HA 0.094 4.054 4.320 -0.601 0.000 0.214 205 A C 2.158 179.889 177.584 0.244 0.000 1.189 205 A CA 1.431 53.636 52.037 0.280 0.000 0.615 205 A CB -0.843 18.306 19.000 0.249 0.000 0.830 205 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 206 V N 0.289 120.312 119.914 0.182 0.000 2.287 206 V HA -0.305 3.454 4.120 -0.601 0.000 0.248 206 V C 3.051 179.247 176.094 0.170 0.000 1.053 206 V CA 2.104 64.496 62.300 0.153 0.000 1.027 206 V CB -1.412 30.484 31.823 0.121 0.000 0.646 206 V HN 0.601 8.791 8.190 -0.000 0.000 0.447 207 A N -0.823 122.149 122.820 0.253 0.000 1.877 207 A HA -0.281 3.678 4.320 -0.601 0.000 0.216 207 A C 2.173 179.873 177.584 0.194 0.000 1.186 207 A CA 2.144 54.330 52.037 0.249 0.000 0.620 207 A CB -0.849 18.323 19.000 0.286 0.000 0.822 207 A HN 0.643 8.793 8.150 -0.000 0.000 0.443 208 Y N 0.900 121.268 120.300 0.113 0.000 2.114 208 Y HA -0.253 3.935 4.550 -0.604 0.000 0.282 208 Y C 2.340 178.311 175.900 0.119 0.000 1.165 208 Y CA 2.215 60.392 58.100 0.128 0.000 1.148 208 Y CB -0.488 38.079 38.460 0.179 0.000 0.972 208 Y HN 0.073 8.353 8.280 -0.000 0.000 0.504 209 V N 0.468 120.453 119.914 0.119 0.000 2.307 209 V HA -0.306 3.453 4.120 -0.601 0.000 0.245 209 V C 2.732 178.831 176.094 0.007 0.000 1.045 209 V CA 1.747 64.080 62.300 0.054 0.000 1.024 209 V CB -1.735 30.197 31.823 0.181 0.000 0.651 209 V HN 0.576 8.766 8.190 -0.000 0.000 0.449 210 A N 0.253 123.083 122.820 0.017 0.000 1.917 210 A HA -0.353 3.606 4.320 -0.601 0.000 0.219 210 A C 2.086 179.655 177.584 -0.025 0.000 1.182 210 A CA 2.461 54.488 52.037 -0.017 0.000 0.633 210 A CB -0.776 18.212 19.000 -0.021 0.000 0.819 210 A HN 0.587 8.737 8.150 -0.000 0.000 0.448 211 D N -0.777 119.606 120.400 -0.028 0.000 2.097 211 D HA -0.115 4.164 4.640 -0.601 0.000 0.197 211 D C 1.749 178.000 176.300 -0.082 0.000 0.984 211 D CA 0.959 54.935 54.000 -0.039 0.000 0.826 211 D CB -0.262 40.520 40.800 -0.031 0.000 0.973 211 D HN 0.167 8.537 8.370 -0.000 0.000 0.460 212 L N 0.138 121.260 121.223 -0.169 0.000 2.021 212 L HA -0.104 3.875 4.340 -0.601 0.000 0.215 212 L C 2.089 178.933 176.870 -0.043 0.000 1.074 212 L CA 1.532 56.286 54.840 -0.144 0.000 0.760 212 L CB -0.543 41.411 42.059 -0.175 0.000 0.889 212 L HN 0.210 8.440 8.230 -0.000 0.000 0.433 213 L N -0.865 120.342 121.223 -0.026 0.000 2.667 213 L HA 0.095 4.074 4.340 -0.601 0.000 0.232 213 L C 0.343 177.193 176.870 -0.033 0.000 1.138 213 L CA -0.199 54.629 54.840 -0.019 0.000 0.921 213 L CB 0.030 42.073 42.059 -0.028 0.000 1.180 213 L HN 0.131 8.361 8.230 -0.000 0.000 0.487 214 K N 1.149 121.532 120.400 -0.028 0.000 3.150 214 K HA -0.155 3.804 4.320 -0.601 0.000 0.267 214 K C -0.519 176.058 176.600 -0.039 0.000 1.028 214 K CA 0.716 56.992 56.287 -0.019 0.000 0.753 214 K CB -1.764 30.730 32.500 -0.011 0.000 1.288 214 K HN 0.205 8.455 8.250 -0.000 0.000 0.473 215 I N 0.824 121.361 120.570 -0.056 0.000 2.378 215 I HA 0.257 4.066 4.170 -0.601 0.000 0.291 215 I C -1.916 174.131 176.117 -0.116 0.000 0.992 215 I CA -2.728 58.511 61.300 -0.101 0.000 1.154 215 I CB 1.075 39.007 38.000 -0.114 0.000 1.315 215 I HN -0.188 8.022 8.210 -0.000 0.000 0.448 216 P HA 0.062 4.482 4.420 -0.000 0.000 0.262 216 P C -0.453 176.710 177.300 -0.229 0.000 1.182 216 P CA 0.206 63.121 63.100 -0.308 0.000 0.761 216 P CB 0.845 31.979 31.700 -0.943 0.000 0.795 217 V N 4.960 124.812 119.914 -0.103 0.000 2.709 217 V HA 0.648 4.408 4.120 -0.601 0.000 0.308 217 V C -0.547 175.416 176.094 -0.220 0.000 1.062 217 V CA -0.732 61.428 62.300 -0.233 0.000 0.901 217 V CB 2.266 33.937 31.823 -0.254 0.000 1.003 217 V HN 0.435 8.625 8.190 -0.000 0.000 0.425 218 V N 3.511 123.181 119.914 -0.407 0.000 3.102 218 V HA 0.795 4.555 4.120 -0.601 0.000 0.312 218 V C -1.446 174.298 176.094 -0.584 0.000 1.135 218 V CA -0.889 61.234 62.300 -0.295 0.000 1.022 218 V CB 2.198 33.976 31.823 -0.075 0.000 1.056 218 V HN 0.709 8.899 8.190 -0.000 0.000 0.436 219 F N 1.690 121.635 119.950 -0.008 0.000 2.539 219 F HA 0.725 4.922 4.527 -0.550 0.000 0.318 219 F C -0.426 175.391 175.800 0.029 0.000 1.135 219 F CA -0.635 57.366 58.000 0.003 0.000 0.915 219 F CB 2.031 41.037 39.000 0.009 0.000 1.176 219 F HN 0.351 8.651 8.300 -0.000 0.000 0.440 220 L N 5.029 126.367 121.223 0.191 0.000 2.294 220 L HA 0.535 4.514 4.340 -0.601 0.000 0.283 220 L C -0.539 176.435 176.870 0.174 0.000 1.015 220 L CA -0.705 54.236 54.840 0.168 0.000 0.831 220 L CB 1.085 43.227 42.059 0.137 0.000 1.217 220 L HN 0.429 8.659 8.230 -0.000 0.000 0.420 221 K N 3.405 123.914 120.400 0.181 0.000 2.450 221 K HA 0.609 4.568 4.320 -0.601 0.000 0.257 221 K C -0.671 176.014 176.600 0.143 0.000 0.953 221 K CA -0.389 55.980 56.287 0.136 0.000 0.844 221 K CB 2.458 35.008 32.500 0.084 0.000 1.103 221 K HN 0.578 8.828 8.250 -0.000 0.000 0.429 222 A N 3.077 125.954 122.820 0.095 0.000 2.252 222 A HA 0.354 4.313 4.320 -0.601 0.000 0.309 222 A C 0.073 177.679 177.584 0.037 0.000 1.285 222 A CA -0.667 51.419 52.037 0.082 0.000 0.900 222 A CB 0.387 19.419 19.000 0.052 0.000 1.157 222 A HN 0.410 8.560 8.150 -0.000 0.000 0.536 223 V N 4.281 124.224 119.914 0.049 0.000 2.403 223 V HA 0.046 3.805 4.120 -0.601 0.000 0.265 223 V C 1.386 177.449 176.094 -0.051 0.000 1.034 223 V CA 1.074 63.364 62.300 -0.017 0.000 1.036 223 V CB -0.240 31.589 31.823 0.009 0.000 1.032 223 V HN 1.037 9.227 8.190 -0.000 0.000 0.478 224 T N 0.648 115.149 114.554 -0.088 0.000 3.051 224 T HA 0.076 4.066 4.350 -0.601 0.000 0.255 224 T C 0.409 174.999 174.700 -0.184 0.000 1.085 224 T CA 0.288 62.300 62.100 -0.146 0.000 1.109 224 T CB 0.049 68.819 68.868 -0.163 0.000 0.921 224 T HN 0.816 9.056 8.240 -0.000 0.000 0.488 225 D N 0.262 120.572 120.400 -0.151 0.000 2.661 225 D HA 0.265 4.544 4.640 -0.601 0.000 0.228 225 D C -1.189 175.011 176.300 -0.165 0.000 1.210 225 D CA -0.841 53.071 54.000 -0.147 0.000 0.826 225 D CB 1.616 42.344 40.800 -0.119 0.000 1.542 225 D HN 0.108 8.478 8.370 -0.000 0.000 0.447 226 L N 2.367 123.498 121.223 -0.152 0.000 2.259 226 L HA 0.169 4.148 4.340 -0.601 0.000 0.288 226 L C 1.611 178.341 176.870 -0.233 0.000 1.051 226 L CA -0.783 53.945 54.840 -0.187 0.000 0.824 226 L CB 1.732 43.726 42.059 -0.108 0.000 1.206 226 L HN 0.332 8.562 8.230 -0.000 0.000 0.429 227 V N 1.613 121.274 119.914 -0.423 0.000 2.490 227 V HA -0.210 3.550 4.120 -0.601 0.000 0.250 227 V C 1.402 177.342 176.094 -0.257 0.000 1.061 227 V CA 1.954 63.992 62.300 -0.437 0.000 1.064 227 V CB -0.523 30.798 31.823 -0.838 0.000 0.670 227 V HN 0.941 9.131 8.190 -0.000 0.000 0.461 228 D N -0.661 119.612 120.400 -0.211 0.000 2.525 228 D HA 0.306 4.586 4.640 -0.601 0.000 0.229 228 D C 0.466 176.759 176.300 -0.011 0.000 1.202 228 D CA 0.293 54.287 54.000 -0.011 0.000 0.828 228 D CB 0.249 41.150 40.800 0.167 0.000 1.008 228 D HN 0.314 8.684 8.370 -0.000 0.000 0.493 229 G N -0.210 108.563 108.800 -0.045 0.000 2.816 229 G HA2 0.463 4.063 3.960 -0.601 0.000 0.288 229 G HA3 0.463 4.063 3.960 -0.601 0.000 0.288 229 G C -0.633 174.256 174.900 -0.018 0.000 1.334 229 G CA -0.881 44.205 45.100 -0.024 0.000 0.978 229 G HN 0.131 8.421 8.290 -0.000 0.000 0.493 230 D N -0.609 119.787 120.400 -0.006 0.000 2.358 230 D HA 0.444 4.724 4.640 -0.601 0.000 0.244 230 D C 0.544 176.849 176.300 0.009 0.000 1.163 230 D CA -0.343 53.659 54.000 0.003 0.000 0.945 230 D CB 0.622 41.427 40.800 0.008 0.000 1.152 230 D HN 0.630 9.000 8.370 -0.000 0.000 0.451 231 K N 1.107 121.520 120.400 0.021 0.000 2.472 231 K HA 0.197 4.157 4.320 -0.601 0.000 0.280 231 K C -2.042 174.591 176.600 0.055 0.000 1.028 231 K CA -1.027 55.287 56.287 0.044 0.000 1.045 231 K CB -1.043 31.480 32.500 0.039 0.000 0.902 231 K HN 0.447 8.697 8.250 -0.000 0.000 0.478 232 P HA 0.141 4.561 4.420 -0.000 0.000 0.274 232 P C 0.227 177.592 177.300 0.108 0.000 1.237 232 P CA -0.215 62.944 63.100 0.100 0.000 0.793 232 P CB 0.630 32.413 31.700 0.138 0.000 0.977 233 T N -2.063 112.539 114.554 0.080 0.000 2.766 233 T HA 0.316 4.305 4.350 -0.601 0.000 0.295 233 T C 1.538 176.292 174.700 0.090 0.000 1.024 233 T CA 0.003 62.141 62.100 0.062 0.000 1.018 233 T CB 0.224 69.117 68.868 0.041 0.000 1.002 233 T HN 0.413 8.653 8.240 -0.000 0.000 0.532 234 A N 0.820 123.666 122.820 0.043 0.000 1.908 234 A HA 0.017 3.977 4.320 -0.601 0.000 0.218 234 A C 2.668 180.302 177.584 0.082 0.000 1.181 234 A CA 2.376 54.431 52.037 0.030 0.000 0.627 234 A CB -1.906 17.085 19.000 -0.015 0.000 0.818 234 A HN 1.186 9.336 8.150 -0.000 0.000 0.445 235 E N 0.306 120.543 120.200 0.061 0.000 2.038 235 E HA -0.271 3.719 4.350 -0.601 0.000 0.195 235 E C 1.756 178.404 176.600 0.079 0.000 1.000 235 E CA 1.706 58.142 56.400 0.059 0.000 0.803 235 E CB -0.916 28.806 29.700 0.037 0.000 0.750 235 E HN 0.864 9.224 8.360 -0.000 0.000 0.448 236 E N -0.956 119.294 120.200 0.083 0.000 2.058 236 E HA -0.090 3.900 4.350 -0.601 0.000 0.194 236 E C 2.031 178.690 176.600 0.099 0.000 0.997 236 E CA 1.197 57.640 56.400 0.072 0.000 0.801 236 E CB -0.325 29.412 29.700 0.062 0.000 0.746 236 E HN 0.532 8.892 8.360 -0.000 0.000 0.450 237 F N 1.643 121.590 119.950 -0.004 0.000 2.069 237 F HA -0.207 3.959 4.527 -0.602 0.000 0.298 237 F C 2.015 177.813 175.800 -0.002 0.000 1.113 237 F CA 1.435 59.433 58.000 -0.004 0.000 1.214 237 F CB -0.278 38.719 39.000 -0.005 0.000 0.978 237 F HN -0.093 8.207 8.300 -0.000 0.000 0.474 238 L N 0.109 121.536 121.223 0.340 0.000 2.012 238 L HA -0.275 3.704 4.340 -0.601 0.000 0.210 238 L C 2.704 179.628 176.870 0.089 0.000 1.073 238 L CA 1.963 56.924 54.840 0.201 0.000 0.748 238 L CB -1.111 41.027 42.059 0.132 0.000 0.891 238 L HN 0.333 8.563 8.230 -0.000 0.000 0.431 239 Q N -0.549 119.288 119.800 0.061 0.000 2.079 239 Q HA -0.192 3.788 4.340 -0.601 0.000 0.200 239 Q C 1.800 177.796 176.000 -0.007 0.000 0.974 239 Q CA 1.621 57.438 55.803 0.023 0.000 0.840 239 Q CB -0.439 28.311 28.738 0.020 0.000 0.898 239 Q HN 0.387 8.657 8.270 -0.000 0.000 0.430 240 N N 0.986 119.665 118.700 -0.034 0.000 2.149 240 N HA -0.141 4.239 4.740 -0.601 0.000 0.188 240 N C 1.684 177.132 175.510 -0.103 0.000 1.019 240 N CA 1.047 54.045 53.050 -0.087 0.000 0.857 240 N CB -0.328 38.068 38.487 -0.152 0.000 0.997 240 N HN 0.237 8.617 8.380 -0.000 0.000 0.426 241 L N 1.071 122.233 121.223 -0.102 0.000 2.046 241 L HA -0.136 3.843 4.340 -0.601 0.000 0.208 241 L C 2.426 179.279 176.870 -0.027 0.000 1.077 241 L CA 1.960 56.756 54.840 -0.073 0.000 0.747 241 L CB -1.352 40.712 42.059 0.008 0.000 0.896 241 L HN 0.348 8.578 8.230 -0.000 0.000 0.432 242 T N -3.628 110.920 114.554 -0.009 0.000 2.821 242 T HA -0.119 3.871 4.350 -0.601 0.000 0.267 242 T C 1.843 176.535 174.700 -0.014 0.000 1.046 242 T CA 1.524 63.621 62.100 -0.005 0.000 1.139 242 T CB -0.778 68.091 68.868 0.003 0.000 0.871 242 T HN 0.136 8.376 8.240 -0.000 0.000 0.454 243 V N 1.362 121.263 119.914 -0.021 0.000 2.270 243 V HA -0.107 3.653 4.120 -0.601 0.000 0.245 243 V C 2.979 179.059 176.094 -0.022 0.000 1.043 243 V CA 1.606 63.894 62.300 -0.021 0.000 1.014 243 V CB -0.786 31.022 31.823 -0.025 0.000 0.645 243 V HN 0.411 8.601 8.190 -0.000 0.000 0.447 244 V N 0.059 119.952 119.914 -0.035 0.000 2.332 244 V HA -0.288 3.472 4.120 -0.601 0.000 0.248 244 V C 2.587 178.672 176.094 -0.016 0.000 1.055 244 V CA 2.674 64.956 62.300 -0.030 0.000 1.038 244 V CB -1.057 30.731 31.823 -0.059 0.000 0.651 244 V HN 0.631 8.821 8.190 -0.000 0.000 0.450 245 T N 0.431 114.975 114.554 -0.017 0.000 2.708 245 T HA -0.168 3.822 4.350 -0.601 0.000 0.266 245 T C 2.064 176.758 174.700 -0.010 0.000 1.037 245 T CA 1.703 63.797 62.100 -0.010 0.000 1.146 245 T CB -0.473 68.390 68.868 -0.009 0.000 0.865 245 T HN 0.575 8.815 8.240 -0.000 0.000 0.435 246 A N 1.323 124.136 122.820 -0.011 0.000 1.933 246 A HA 0.185 4.144 4.320 -0.601 0.000 0.218 246 A C 2.612 180.192 177.584 -0.005 0.000 1.175 246 A CA 1.789 53.819 52.037 -0.011 0.000 0.628 246 A CB -1.015 17.977 19.000 -0.012 0.000 0.814 246 A HN 0.508 8.658 8.150 -0.000 0.000 0.444 247 A N -0.538 122.280 122.820 -0.002 0.000 1.898 247 A HA 0.019 3.978 4.320 -0.601 0.000 0.216 247 A C 2.124 179.717 177.584 0.016 0.000 1.181 247 A CA 1.664 53.703 52.037 0.005 0.000 0.620 247 A CB -0.599 18.404 19.000 0.005 0.000 0.819 247 A HN 0.613 8.763 8.150 -0.000 0.000 0.442 248 L N 0.190 121.423 121.223 0.018 0.000 1.994 248 L HA -0.150 3.830 4.340 -0.601 0.000 0.208 248 L C 2.357 179.243 176.870 0.026 0.000 1.071 248 L CA 2.728 57.587 54.840 0.031 0.000 0.745 248 L CB -0.735 41.341 42.059 0.029 0.000 0.892 248 L HN 0.623 8.853 8.230 -0.000 0.000 0.431 249 E N -0.873 119.330 120.200 0.006 0.000 2.038 249 E HA -0.226 3.764 4.350 -0.601 0.000 0.195 249 E C 2.055 178.666 176.600 0.019 0.000 1.000 249 E CA 1.389 57.787 56.400 -0.003 0.000 0.803 249 E CB -0.572 29.117 29.700 -0.018 0.000 0.750 249 E HN 0.602 8.962 8.360 -0.000 0.000 0.448 250 G N -0.334 108.474 108.800 0.014 0.000 2.418 250 G HA2 -0.259 3.341 3.960 -0.601 0.000 0.217 250 G HA3 -0.259 3.341 3.960 -0.601 0.000 0.217 250 G C 1.621 176.545 174.900 0.039 0.000 1.158 250 G CA 1.349 46.460 45.100 0.019 0.000 0.771 250 G HN 0.301 8.591 8.290 -0.000 0.000 0.545 251 T N 1.526 116.104 114.554 0.039 0.000 2.777 251 T HA 0.090 4.080 4.350 -0.601 0.000 0.266 251 T C 2.836 177.586 174.700 0.084 0.000 1.040 251 T CA 1.377 63.506 62.100 0.048 0.000 1.141 251 T CB -0.340 68.553 68.868 0.041 0.000 0.868 251 T HN 0.360 8.600 8.240 -0.000 0.000 0.444 252 A N 1.511 124.391 122.820 0.100 0.000 1.902 252 A HA -0.135 3.824 4.320 -0.601 0.000 0.217 252 A C 2.531 180.200 177.584 0.142 0.000 1.181 252 A CA 2.136 54.264 52.037 0.151 0.000 0.623 252 A CB -1.398 17.658 19.000 0.094 0.000 0.818 252 A HN 0.469 8.619 8.150 -0.000 0.000 0.443 253 T N 0.434 115.082 114.554 0.157 0.000 2.597 253 T HA -0.238 3.751 4.350 -0.601 0.000 0.267 253 T C 1.894 176.725 174.700 0.220 0.000 1.053 253 T CA 2.043 64.311 62.100 0.280 0.000 1.165 253 T CB -0.335 68.636 68.868 0.172 0.000 0.863 253 T HN 0.591 8.831 8.240 -0.000 0.000 0.427 254 K N 0.400 120.886 120.400 0.143 0.000 2.147 254 K HA -0.035 3.924 4.320 -0.601 0.000 0.205 254 K C 2.346 179.046 176.600 0.166 0.000 1.049 254 K CA 0.838 57.207 56.287 0.135 0.000 0.936 254 K CB -0.416 32.132 32.500 0.080 0.000 0.722 254 K HN 0.166 8.416 8.250 -0.000 0.000 0.446 255 V N 1.831 121.833 119.914 0.146 0.000 2.261 255 V HA -0.253 3.507 4.120 -0.601 0.000 0.246 255 V C 2.181 178.397 176.094 0.203 0.000 1.047 255 V CA 1.643 64.036 62.300 0.156 0.000 1.015 255 V CB -0.357 31.540 31.823 0.123 0.000 0.642 255 V HN 0.263 8.453 8.190 -0.000 0.000 0.446 256 I N 0.535 121.210 120.570 0.174 0.000 2.151 256 I HA -0.289 3.521 4.170 -0.601 0.000 0.243 256 I C 2.413 178.641 176.117 0.185 0.000 1.080 256 I CA 1.726 63.094 61.300 0.114 0.000 1.339 256 I CB -0.581 37.333 38.000 -0.144 0.000 1.039 256 I HN 0.374 8.584 8.210 -0.000 0.000 0.409 257 N N 0.607 119.451 118.700 0.239 0.000 2.104 257 N HA -0.225 4.154 4.740 -0.601 0.000 0.190 257 N C 1.773 177.414 175.510 0.218 0.000 1.024 257 N CA 1.438 54.646 53.050 0.264 0.000 0.853 257 N CB -0.576 38.060 38.487 0.249 0.000 1.008 257 N HN 0.314 8.694 8.380 -0.000 0.000 0.424 258 F N 1.532 121.535 119.950 0.090 0.000 2.146 258 F HA 0.015 4.182 4.527 -0.600 0.000 0.298 258 F C 2.155 177.986 175.800 0.051 0.000 1.096 258 F CA 0.925 58.963 58.000 0.062 0.000 1.275 258 F CB -0.205 38.825 39.000 0.051 0.000 1.008 258 F HN -0.085 8.215 8.300 -0.000 0.000 0.480 259 I N 0.239 120.912 120.570 0.172 0.000 2.286 259 I HA -0.305 3.504 4.170 -0.601 0.000 0.248 259 I C 0.592 176.689 176.117 -0.032 0.000 1.115 259 I CA 0.878 62.212 61.300 0.058 0.000 1.392 259 I CB -0.815 37.234 38.000 0.082 0.000 1.065 259 I HN 0.105 8.315 8.210 -0.000 0.000 0.418 260 N N 1.103 119.811 118.700 0.013 0.000 2.414 260 N HA 0.087 4.466 4.740 -0.601 0.000 0.268 260 N C 0.748 176.226 175.510 -0.055 0.000 1.286 260 N CA 1.291 54.347 53.050 0.009 0.000 0.896 260 N CB 0.419 38.952 38.487 0.078 0.000 1.093 260 N HN 0.410 8.790 8.380 -0.000 0.000 0.480 261 G N 2.281 111.048 108.800 -0.054 0.000 2.175 261 G HA2 -0.267 3.332 3.960 -0.601 0.000 0.244 261 G HA3 -0.267 3.332 3.960 -0.601 0.000 0.244 261 G C 0.204 175.051 174.900 -0.088 0.000 0.982 261 G CA -0.064 44.996 45.100 -0.067 0.000 0.641 261 G HN 0.643 8.933 8.290 -0.000 0.000 0.527 262 R N 0.395 120.833 120.500 -0.103 0.000 2.720 262 R HA 0.558 4.537 4.340 -0.601 0.000 0.272 262 R C 0.392 176.659 176.300 -0.055 0.000 0.991 262 R CA -0.223 55.816 56.100 -0.103 0.000 1.010 262 R CB 0.695 30.895 30.300 -0.167 0.000 1.141 262 R HN 0.453 8.723 8.270 -0.000 0.000 0.494 263 N N 0.462 119.143 118.700 -0.032 0.000 2.491 263 N HA 0.140 4.520 4.740 -0.601 0.000 0.279 263 N C 0.616 176.137 175.510 0.019 0.000 1.236 263 N CA -0.615 52.428 53.050 -0.013 0.000 0.982 263 N CB 0.430 38.915 38.487 -0.003 0.000 1.194 263 N HN 0.428 8.808 8.380 -0.000 0.000 0.582 264 L N -1.040 120.199 121.223 0.027 0.000 2.141 264 L HA -0.065 3.915 4.340 -0.601 0.000 0.209 264 L C 2.286 179.306 176.870 0.250 0.000 1.094 264 L CA 1.006 55.900 54.840 0.090 0.000 0.763 264 L CB -0.495 41.549 42.059 -0.026 0.000 0.908 264 L HN 0.709 8.939 8.230 -0.000 0.000 0.437 265 S N -0.431 115.365 115.700 0.161 0.000 2.419 265 S HA -0.176 3.933 4.470 -0.601 0.000 0.233 265 S C 1.430 176.094 174.600 0.108 0.000 1.016 265 S CA 1.405 59.683 58.200 0.129 0.000 0.974 265 S CB -0.181 63.065 63.200 0.076 0.000 0.786 265 S HN 0.427 8.737 8.310 -0.000 0.000 0.492 266 D N -0.048 120.409 120.400 0.094 0.000 2.350 266 D HA 0.394 4.674 4.640 -0.601 0.000 0.213 266 D C 0.110 176.500 176.300 0.151 0.000 1.031 266 D CA 0.222 54.267 54.000 0.076 0.000 0.861 266 D CB 0.516 41.318 40.800 0.003 0.000 0.926 266 D HN 0.248 8.618 8.370 -0.000 0.000 0.520 267 L N 0.000 121.346 121.223 0.205 0.000 2.949 267 L HA 0.000 3.979 4.340 -0.601 0.000 0.249 267 L CA 0.000 55.025 54.840 0.308 0.000 0.813 267 L CB 0.000 42.352 42.059 0.488 0.000 0.961 267 L HN 0.000 8.230 8.230 -0.000 0.000 0.502