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 2ksy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVGLTTLFWL GAIGMLVGTL AFAWAGRDAG SGERRYYVTL VGISGIAAVA DATA SEQUENCE YAVMALGVGW VPVAERTVFV PRYIDWILTT PLIVYFLGLL AGLDSREFGI DATA SEQUENCE VITLNTVVML AGFAGAMVPG IERYALFGMG AVAFIGLVYY LVGPMTESAS DATA SEQUENCE QRSSGIKSLY VRLRNLTVVL WAIYPFIWLL GPPGVALLTP TVDVALIVYL DATA SEQUENCE DLVTXVGFGF IALDAAATLR AEHGESLAGV DTDTPAVADL EHHHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.603 4.480 0.205 0.000 0.227 1 M C 0.000 176.436 176.300 0.227 0.000 1.140 1 M CA 0.000 55.466 55.300 0.277 0.000 0.988 1 M CB 0.000 32.731 32.600 0.219 0.000 1.302 2 V N 0.552 120.561 119.914 0.159 0.000 3.125 2 V HA 0.186 4.383 4.120 0.128 0.000 0.249 2 V C 0.345 176.537 176.094 0.162 0.000 1.113 2 V CA 1.715 64.096 62.300 0.135 0.000 1.106 2 V CB 0.761 32.638 31.823 0.091 0.000 0.768 2 V HN 0.166 8.439 8.190 0.138 0.000 0.468 3 G N -0.876 108.015 108.800 0.152 0.000 2.744 3 G HA2 0.007 4.052 3.960 0.141 0.000 0.211 3 G HA3 0.007 4.033 3.960 0.109 0.000 0.211 3 G C 0.347 175.348 174.900 0.168 0.000 1.146 3 G CA 0.554 45.739 45.100 0.142 0.000 0.787 3 G HN -0.102 8.273 8.290 0.142 0.000 0.534 4 L N 0.272 121.623 121.223 0.214 0.000 2.109 4 L HA -0.097 4.317 4.340 0.123 0.000 0.207 4 L C 1.691 178.749 176.870 0.312 0.000 1.086 4 L CA 2.146 57.121 54.840 0.225 0.000 0.760 4 L CB -0.118 42.117 42.059 0.294 0.000 0.910 4 L HN -0.373 7.956 8.230 0.231 0.040 0.437 5 T N -3.979 110.825 114.554 0.417 0.000 2.849 5 T HA -0.358 4.404 4.350 0.687 0.000 0.270 5 T C 1.300 176.261 174.700 0.436 0.000 1.066 5 T CA 4.180 66.555 62.100 0.458 0.000 1.130 5 T CB -0.866 68.198 68.868 0.327 0.000 0.864 5 T HN 0.241 8.705 8.240 0.373 0.000 0.481 6 T N 0.478 115.272 114.554 0.400 0.000 2.737 6 T HA -0.362 4.344 4.350 0.594 0.000 0.269 6 T C 1.926 176.784 174.700 0.263 0.000 1.040 6 T CA 3.101 65.432 62.100 0.384 0.000 1.142 6 T CB -0.324 68.674 68.868 0.216 0.000 0.861 6 T HN -0.828 7.577 8.240 0.325 0.030 0.456 7 L N 0.631 121.900 121.223 0.076 0.000 1.994 7 L HA -0.282 4.044 4.340 -0.024 0.000 0.208 7 L C 2.167 178.968 176.870 -0.115 0.000 1.071 7 L CA 3.199 57.968 54.840 -0.118 0.000 0.745 7 L CB -1.359 40.459 42.059 -0.403 0.000 0.892 7 L HN -0.360 7.790 8.230 0.072 0.123 0.431 8 F N -2.685 117.236 119.950 -0.047 0.000 2.216 8 F HA -0.340 4.117 4.527 -0.116 0.000 0.300 8 F C 2.296 178.129 175.800 0.056 0.000 1.085 8 F CA 4.112 62.042 58.000 -0.117 0.000 1.326 8 F CB -1.049 37.745 39.000 -0.344 0.000 1.027 8 F HN -0.905 7.262 8.300 -0.222 0.000 0.497 9 W N -1.829 119.646 121.300 0.291 0.000 2.379 9 W HA -0.517 4.269 4.660 0.211 0.000 0.307 9 W C 2.164 178.784 176.519 0.168 0.000 1.200 9 W CA 3.273 60.739 57.345 0.203 0.000 1.297 9 W CB 0.012 29.557 29.460 0.141 0.000 1.140 9 W HN -0.267 7.983 8.180 0.303 0.113 0.507 10 L N -2.523 118.929 121.223 0.381 0.000 1.989 10 L HA -0.528 3.945 4.340 0.223 0.000 0.211 10 L C 2.561 179.569 176.870 0.231 0.000 1.071 10 L CA 3.223 58.212 54.840 0.248 0.000 0.749 10 L CB -0.544 41.620 42.059 0.175 0.000 0.890 10 L HN 0.086 8.537 8.230 0.370 0.000 0.431 11 G N -3.229 105.747 108.800 0.293 0.000 2.442 11 G HA2 -0.410 3.658 3.960 0.181 0.000 0.219 11 G HA3 -0.410 3.896 3.960 0.577 0.000 0.219 11 G C 0.569 175.499 174.900 0.050 0.000 1.141 11 G CA 2.043 47.308 45.100 0.275 0.000 0.763 11 G HN -0.047 8.427 8.290 0.306 0.000 0.554 12 A N 0.710 123.657 122.820 0.213 0.000 1.969 12 A HA -0.282 4.012 4.320 -0.044 0.000 0.218 12 A C 1.552 179.195 177.584 0.098 0.000 1.169 12 A CA 2.638 54.750 52.037 0.126 0.000 0.635 12 A CB -0.331 18.837 19.000 0.280 0.000 0.810 12 A HN -0.253 8.016 8.150 0.382 0.109 0.445 13 I N -1.960 118.694 120.570 0.140 0.000 2.202 13 I HA -0.488 3.740 4.170 0.097 0.000 0.242 13 I C 1.785 177.930 176.117 0.047 0.000 1.091 13 I CA 3.386 64.746 61.300 0.100 0.000 1.368 13 I CB -0.242 37.825 38.000 0.112 0.000 1.058 13 I HN -0.433 7.752 8.210 0.194 0.140 0.410 14 G N -1.047 107.777 108.800 0.040 0.000 2.432 14 G HA2 -0.342 3.643 3.960 0.043 0.000 0.219 14 G HA3 -0.342 3.636 3.960 0.030 0.000 0.219 14 G C 1.039 175.911 174.900 -0.047 0.000 1.135 14 G CA 2.090 47.201 45.100 0.018 0.000 0.767 14 G HN -0.446 7.883 8.290 0.064 0.000 0.550 15 M N 2.304 121.852 119.600 -0.086 0.000 2.099 15 M HA -0.148 4.260 4.480 -0.121 0.000 0.262 15 M C 2.086 178.332 176.300 -0.090 0.000 1.067 15 M CA 2.016 57.248 55.300 -0.114 0.000 1.124 15 M CB -0.365 32.141 32.600 -0.157 0.000 1.353 15 M HN -0.589 7.535 8.290 -0.085 0.115 0.410 16 L N -1.090 120.105 121.223 -0.048 0.000 2.042 16 L HA -0.295 4.025 4.340 -0.034 0.000 0.210 16 L C 2.137 178.954 176.870 -0.088 0.000 1.076 16 L CA 3.442 58.258 54.840 -0.040 0.000 0.749 16 L CB -1.118 40.943 42.059 0.004 0.000 0.893 16 L HN -0.437 7.778 8.230 -0.023 0.000 0.432 17 V N -1.495 118.366 119.914 -0.088 0.000 2.295 17 V HA -0.479 3.594 4.120 -0.078 0.000 0.246 17 V C 2.020 177.919 176.094 -0.325 0.000 1.049 17 V CA 4.868 67.099 62.300 -0.114 0.000 1.024 17 V CB -0.686 31.128 31.823 -0.015 0.000 0.648 17 V HN -0.398 7.751 8.190 -0.054 0.008 0.447 18 G N -2.171 106.359 108.800 -0.450 0.000 2.404 18 G HA2 -0.294 2.756 3.960 -1.518 0.000 0.215 18 G HA3 -0.294 3.239 3.960 -0.712 0.000 0.215 18 G C 0.969 175.225 174.900 -1.073 0.000 1.174 18 G CA 2.402 46.898 45.100 -1.008 0.000 0.780 18 G HN -0.446 7.676 8.290 -0.280 0.000 0.537 19 T N 5.210 119.527 114.554 -0.396 0.000 2.653 19 T HA -0.526 3.819 4.350 -0.009 0.000 0.268 19 T C 1.901 176.511 174.700 -0.149 0.000 1.035 19 T CA 5.231 67.240 62.100 -0.151 0.000 1.154 19 T CB -0.084 68.758 68.868 -0.042 0.000 0.862 19 T HN 0.055 8.132 8.240 -0.271 0.000 0.441 20 L N -0.406 120.715 121.223 -0.171 0.000 2.072 20 L HA -0.271 4.078 4.340 0.014 0.000 0.205 20 L C 1.763 178.601 176.870 -0.053 0.000 1.079 20 L CA 2.836 57.638 54.840 -0.063 0.000 0.752 20 L CB -0.629 41.402 42.059 -0.046 0.000 0.906 20 L HN -0.475 7.637 8.230 -0.196 0.000 0.436 21 A N -0.030 122.627 122.820 -0.273 0.000 1.940 21 A HA -0.289 4.068 4.320 0.063 0.000 0.219 21 A C 2.436 180.000 177.584 -0.033 0.000 1.176 21 A CA 3.069 54.978 52.037 -0.213 0.000 0.631 21 A CB -0.702 17.980 19.000 -0.531 0.000 0.814 21 A HN -0.114 7.785 8.150 -0.417 0.000 0.446 22 F N -4.465 115.514 119.950 0.048 0.000 2.530 22 F HA -0.125 4.507 4.527 0.175 0.000 0.292 22 F C 1.245 177.114 175.800 0.116 0.000 1.109 22 F CA -0.266 57.805 58.000 0.117 0.000 1.450 22 F CB -1.031 38.025 39.000 0.092 0.000 1.114 22 F HN -0.152 7.757 8.300 -0.618 0.020 0.560 23 A N -0.181 122.772 122.820 0.221 0.000 1.854 23 A HA -0.243 4.173 4.320 0.159 0.000 0.214 23 A C 1.738 179.408 177.584 0.142 0.000 1.192 23 A CA 2.846 54.981 52.037 0.163 0.000 0.611 23 A CB -0.675 18.406 19.000 0.136 0.000 0.832 23 A HN -0.099 8.042 8.150 0.137 0.091 0.442 24 W N -1.263 120.042 121.300 0.008 0.000 2.378 24 W HA -0.424 4.229 4.660 -0.012 0.000 0.313 24 W C 1.073 177.580 176.519 -0.021 0.000 1.197 24 W CA 2.752 60.093 57.345 -0.007 0.000 1.304 24 W CB 0.418 29.875 29.460 -0.005 0.000 1.148 24 W HN 0.260 8.626 8.180 0.310 0.000 0.494 25 A N -2.249 120.309 122.820 -0.437 0.000 2.015 25 A HA -0.221 3.503 4.320 -0.993 0.000 0.219 25 A C 1.981 179.215 177.584 -0.582 0.000 1.163 25 A CA 2.421 54.115 52.037 -0.571 0.000 0.646 25 A CB -0.900 18.030 19.000 -0.117 0.000 0.806 25 A HN -0.480 7.659 8.150 -0.019 0.000 0.448 26 G N -1.833 106.665 108.800 -0.503 0.000 2.394 26 G HA2 -0.243 2.463 3.960 -2.090 0.000 0.215 26 G HA3 -0.243 3.506 3.960 -0.493 -0.085 0.215 26 G C 1.945 176.510 174.900 -0.558 0.000 1.165 26 G CA 1.279 45.850 45.100 -0.881 0.000 0.784 26 G HN -0.294 7.651 8.290 -0.215 0.216 0.535 27 R N -0.899 119.406 120.500 -0.325 0.000 2.148 27 R HA -0.250 3.997 4.340 -0.155 0.000 0.227 27 R C 0.779 176.917 176.300 -0.270 0.000 1.103 27 R CA 2.777 58.751 56.100 -0.210 0.000 0.983 27 R CB -0.073 30.180 30.300 -0.079 0.000 0.874 27 R HN -0.489 7.624 8.270 -0.262 0.000 0.451 28 D N -3.857 116.279 120.400 -0.441 0.000 2.347 28 D HA -0.031 4.432 4.640 -0.296 0.000 0.213 28 D C -0.224 175.902 176.300 -0.290 0.000 0.985 28 D CA 0.497 54.252 54.000 -0.408 0.000 0.879 28 D CB 0.824 41.237 40.800 -0.645 0.000 0.919 28 D HN -0.705 7.194 8.370 -0.566 0.131 0.526 29 A N -1.268 121.349 122.820 -0.340 0.000 2.292 29 A HA -0.034 4.199 4.320 -0.146 0.000 0.265 29 A C -0.263 177.263 177.584 -0.096 0.000 1.133 29 A CA 0.320 52.225 52.037 -0.220 0.000 0.807 29 A CB 0.981 19.767 19.000 -0.356 0.000 1.102 29 A HN -0.731 6.949 8.150 -0.456 0.196 0.502 30 G N -2.981 105.815 108.800 -0.006 0.000 2.641 30 G HA2 0.194 4.149 3.960 -0.009 0.000 0.239 30 G HA3 0.194 4.174 3.960 0.034 0.000 0.239 30 G C -1.740 173.178 174.900 0.029 0.000 1.402 30 G CA -1.767 43.341 45.100 0.013 0.000 1.046 30 G HN -0.058 8.257 8.290 0.040 0.000 0.565 31 S N -0.401 115.318 115.700 0.032 0.000 2.438 31 S HA 0.147 4.639 4.470 0.036 0.000 0.293 31 S C 0.935 175.570 174.600 0.057 0.000 1.141 31 S CA -0.547 57.674 58.200 0.036 0.000 1.080 31 S CB -0.302 62.908 63.200 0.017 0.000 0.978 31 S HN 0.160 8.485 8.310 0.024 0.000 0.479 32 G N 6.997 115.844 108.800 0.078 0.000 2.909 32 G HA2 -0.182 3.818 3.960 0.067 0.000 0.198 32 G HA3 -0.182 3.834 3.960 0.095 0.000 0.198 32 G C 0.544 175.551 174.900 0.179 0.000 1.124 32 G CA 0.564 45.723 45.100 0.099 0.000 0.796 32 G HN 0.442 8.777 8.290 0.075 0.000 0.489 33 E N 3.118 123.460 120.200 0.238 0.000 2.268 33 E HA -0.315 4.324 4.350 0.481 0.000 0.195 33 E C 1.489 178.372 176.600 0.470 0.000 0.995 33 E CA 1.885 58.515 56.400 0.384 0.000 0.836 33 E CB -0.444 29.491 29.700 0.392 0.000 0.763 33 E HN 0.248 8.722 8.360 0.190 0.000 0.491 34 R N -1.926 118.765 120.500 0.318 0.000 2.185 34 R HA -0.390 4.158 4.340 0.347 0.000 0.247 34 R C 1.942 178.361 176.300 0.200 0.000 1.159 34 R CA 3.325 59.581 56.100 0.260 0.000 0.988 34 R CB -0.471 29.897 30.300 0.113 0.000 0.871 34 R HN 0.083 8.442 8.270 0.221 0.044 0.458 35 R N -1.819 118.732 120.500 0.084 0.000 2.073 35 R HA -0.230 4.083 4.340 -0.044 0.000 0.234 35 R C 2.557 178.757 176.300 -0.166 0.000 1.134 35 R CA 2.232 58.273 56.100 -0.099 0.000 0.952 35 R CB -0.712 29.414 30.300 -0.290 0.000 0.850 35 R HN -0.641 7.655 8.270 0.103 0.036 0.433 36 Y N -1.431 118.808 120.300 -0.101 0.000 2.293 36 Y HA -0.296 3.975 4.550 -0.464 0.000 0.291 36 Y C 2.726 178.580 175.900 -0.078 0.000 1.137 36 Y CA 3.502 61.438 58.100 -0.273 0.000 1.202 36 Y CB -0.541 37.698 38.460 -0.368 0.000 0.990 36 Y HN -0.517 7.728 8.280 0.076 0.081 0.537 37 Y N -1.082 119.336 120.300 0.197 0.000 2.153 37 Y HA -0.389 4.255 4.550 0.158 0.000 0.289 37 Y C 1.922 177.908 175.900 0.142 0.000 1.127 37 Y CA 4.582 62.777 58.100 0.157 0.000 1.131 37 Y CB -0.208 38.325 38.460 0.120 0.000 0.995 37 Y HN -0.282 8.083 8.280 0.322 0.108 0.505 38 V N -1.202 118.876 119.914 0.274 0.000 2.392 38 V HA -0.506 3.731 4.120 0.194 0.000 0.249 38 V C 1.752 177.952 176.094 0.176 0.000 1.059 38 V CA 4.050 66.462 62.300 0.187 0.000 1.051 38 V CB -0.043 31.853 31.823 0.122 0.000 0.658 38 V HN 0.253 8.609 8.190 0.276 0.000 0.455 39 T N 2.086 116.744 114.554 0.174 0.000 2.674 39 T HA -0.380 4.081 4.350 0.185 0.000 0.265 39 T C 1.891 176.776 174.700 0.309 0.000 1.039 39 T CA 4.787 67.020 62.100 0.222 0.000 1.150 39 T CB -0.308 68.672 68.868 0.188 0.000 0.864 39 T HN -0.583 7.728 8.240 0.143 0.014 0.427 40 L N 1.245 122.676 121.223 0.347 0.000 2.083 40 L HA -0.259 4.191 4.340 0.182 0.000 0.209 40 L C 1.720 178.656 176.870 0.109 0.000 1.083 40 L CA 3.089 58.014 54.840 0.142 0.000 0.752 40 L CB -0.312 41.644 42.059 -0.171 0.000 0.899 40 L HN -0.419 8.028 8.230 0.361 0.000 0.433 41 V N -1.260 118.785 119.914 0.218 0.000 2.515 41 V HA -0.494 3.859 4.120 0.388 0.000 0.250 41 V C 2.052 178.260 176.094 0.191 0.000 1.058 41 V CA 4.633 67.096 62.300 0.272 0.000 1.064 41 V CB -0.542 31.434 31.823 0.255 0.000 0.675 41 V HN 0.398 8.713 8.190 0.226 0.011 0.461 42 G N -0.271 108.632 108.800 0.171 0.000 2.418 42 G HA2 -0.308 3.726 3.960 0.122 0.000 0.217 42 G HA3 -0.308 3.735 3.960 0.137 0.000 0.217 42 G C 1.144 176.130 174.900 0.143 0.000 1.158 42 G CA 2.396 47.581 45.100 0.142 0.000 0.771 42 G HN -0.052 8.231 8.290 0.185 0.118 0.545 43 I N -2.598 118.071 120.570 0.165 0.000 2.286 43 I HA -0.447 3.822 4.170 0.166 0.000 0.245 43 I C 1.334 177.526 176.117 0.125 0.000 1.104 43 I CA 3.219 64.615 61.300 0.161 0.000 1.397 43 I CB -0.485 37.629 38.000 0.189 0.000 1.072 43 I HN -0.560 7.760 8.210 0.184 0.000 0.417 44 S N 0.500 116.272 115.700 0.120 0.000 2.423 44 S HA -0.306 4.190 4.470 0.043 0.000 0.231 44 S C 2.303 176.939 174.600 0.060 0.000 1.014 44 S CA 3.295 61.546 58.200 0.085 0.000 0.965 44 S CB -0.187 63.102 63.200 0.149 0.000 0.785 44 S HN -0.463 7.933 8.310 0.143 0.000 0.495 45 G N 1.008 109.862 108.800 0.090 0.000 2.404 45 G HA2 -0.111 3.885 3.960 0.060 0.000 0.213 45 G HA3 -0.111 3.901 3.960 0.087 0.000 0.213 45 G C 0.835 175.784 174.900 0.081 0.000 1.189 45 G CA 1.684 46.831 45.100 0.078 0.000 0.796 45 G HN -0.249 7.975 8.290 0.116 0.135 0.532 46 I N -0.661 119.968 120.570 0.100 0.000 2.264 46 I HA -0.424 3.807 4.170 0.101 0.000 0.248 46 I C 1.575 177.774 176.117 0.135 0.000 1.111 46 I CA 3.261 64.629 61.300 0.113 0.000 1.382 46 I CB -0.533 37.542 38.000 0.125 0.000 1.060 46 I HN -0.076 8.198 8.210 0.107 0.000 0.418 47 A N -0.381 122.516 122.820 0.128 0.000 1.898 47 A HA -0.185 4.516 4.320 0.275 -0.216 0.216 47 A C 1.664 179.292 177.584 0.073 0.000 1.181 47 A CA 2.501 54.622 52.037 0.140 0.000 0.620 47 A CB -0.659 18.366 19.000 0.042 0.000 0.819 47 A HN -0.262 7.942 8.150 0.110 0.012 0.442 48 A N -1.142 121.680 122.820 0.003 0.000 1.917 48 A HA -0.344 3.929 4.320 -0.079 0.000 0.219 48 A C 1.865 179.506 177.584 0.095 0.000 1.182 48 A CA 3.139 55.179 52.037 0.006 0.000 0.633 48 A CB -0.619 18.390 19.000 0.015 0.000 0.819 48 A HN -0.531 7.544 8.150 0.014 0.084 0.448 49 V N -4.687 115.289 119.914 0.103 0.000 2.453 49 V HA -0.339 3.831 4.120 0.083 0.000 0.247 49 V C 1.550 177.710 176.094 0.109 0.000 1.048 49 V CA 3.078 65.435 62.300 0.095 0.000 1.049 49 V CB -1.345 30.524 31.823 0.078 0.000 0.672 49 V HN -0.522 7.717 8.190 0.095 0.008 0.457 50 A N 1.115 124.039 122.820 0.173 0.000 1.902 50 A HA -0.322 4.048 4.320 0.083 0.000 0.217 50 A C 2.009 179.690 177.584 0.160 0.000 1.181 50 A CA 3.132 55.270 52.037 0.169 0.000 0.623 50 A CB -0.793 18.351 19.000 0.239 0.000 0.818 50 A HN -0.455 7.731 8.150 0.192 0.079 0.443 51 Y N -1.937 118.378 120.300 0.025 0.000 2.220 51 Y HA -0.318 4.311 4.550 0.132 0.000 0.291 51 Y C 2.167 177.971 175.900 -0.159 0.000 1.129 51 Y CA 2.176 60.298 58.100 0.036 0.000 1.161 51 Y CB -0.644 37.875 38.460 0.098 0.000 0.997 51 Y HN -0.194 8.434 8.280 0.580 0.000 0.522 52 A N -1.695 121.134 122.820 0.015 0.000 1.902 52 A HA -0.380 3.678 4.320 -0.436 0.000 0.217 52 A C 1.703 179.107 177.584 -0.300 0.000 1.181 52 A CA 3.039 54.961 52.037 -0.192 0.000 0.623 52 A CB -0.489 18.520 19.000 0.016 0.000 0.818 52 A HN -0.451 7.779 8.150 0.133 0.000 0.443 53 V N -4.056 115.756 119.914 -0.170 0.000 2.323 53 V HA -0.362 3.660 4.120 -0.162 0.000 0.244 53 V C 2.084 177.996 176.094 -0.304 0.000 1.041 53 V CA 3.290 65.482 62.300 -0.180 0.000 1.025 53 V CB -0.934 30.837 31.823 -0.087 0.000 0.656 53 V HN -0.202 7.939 8.190 -0.080 0.000 0.451 54 M N 0.433 119.813 119.600 -0.366 0.000 2.213 54 M HA -0.252 4.251 4.480 -0.239 -0.166 0.263 54 M C 2.732 178.533 176.300 -0.831 0.000 1.062 54 M CA 3.548 58.505 55.300 -0.572 0.000 1.105 54 M CB -0.337 31.668 32.600 -0.991 0.000 1.385 54 M HN -0.221 7.899 8.290 -0.282 0.000 0.417 55 A N -1.137 121.211 122.820 -0.787 0.000 2.070 55 A HA -0.181 3.824 4.320 -0.525 0.000 0.220 55 A C 0.870 178.092 177.584 -0.603 0.000 1.159 55 A CA 2.473 54.005 52.037 -0.840 0.000 0.656 55 A CB -0.716 17.251 19.000 -1.721 0.000 0.800 55 A HN 0.049 7.704 8.150 -0.654 0.102 0.453 56 L N -6.390 114.536 121.223 -0.495 0.000 2.509 56 L HA -0.136 4.136 4.340 -0.114 0.000 0.222 56 L C 0.583 177.165 176.870 -0.480 0.000 1.123 56 L CA 0.645 55.309 54.840 -0.293 0.000 0.856 56 L CB 0.205 42.155 42.059 -0.181 0.000 0.985 56 L HN -0.389 7.356 8.230 -0.519 0.174 0.456 57 G N -2.539 105.758 108.800 -0.839 0.000 2.179 57 G HA2 -0.315 1.817 3.960 -3.047 0.000 0.220 57 G HA3 -0.315 2.926 3.960 -1.199 0.000 0.220 57 G C -0.447 173.727 174.900 -1.210 0.000 0.990 57 G CA 0.022 44.171 45.100 -1.585 0.000 0.646 57 G HN -0.343 7.321 8.290 -0.744 0.180 0.517 58 V N -0.755 118.802 119.914 -0.594 0.000 2.881 58 V HA 0.225 4.205 4.120 -0.234 0.000 0.303 58 V C 0.798 176.867 176.094 -0.042 0.000 1.070 58 V CA 0.063 62.206 62.300 -0.262 0.000 1.074 58 V CB 0.428 32.157 31.823 -0.156 0.000 1.012 58 V HN -1.061 6.764 8.190 -0.511 0.058 0.482 59 G N 2.148 110.988 108.800 0.066 0.000 2.179 59 G HA2 -0.332 3.695 3.960 0.112 0.000 0.260 59 G HA3 -0.332 3.721 3.960 0.155 0.000 0.260 59 G C -0.271 174.829 174.900 0.332 0.000 0.977 59 G CA 0.677 45.879 45.100 0.169 0.000 0.641 59 G HN 0.208 8.508 8.290 0.017 0.000 0.533 60 W N -0.148 121.157 121.300 0.009 0.000 2.356 60 W HA 0.213 4.926 4.660 0.090 0.000 0.311 60 W C 0.322 176.822 176.519 -0.032 0.000 1.328 60 W CA -0.349 57.018 57.345 0.037 0.000 1.251 60 W CB -0.539 28.967 29.460 0.078 0.000 1.280 60 W HN -0.853 7.466 8.180 0.377 0.087 0.524 61 V N 6.882 126.847 119.914 0.085 0.000 2.459 61 V HA 0.488 4.643 4.120 0.058 0.000 0.295 61 V C -2.373 173.692 176.094 -0.050 0.000 1.029 61 V CA -4.803 57.510 62.300 0.022 0.000 0.874 61 V CB 3.932 35.760 31.823 0.008 0.000 0.985 61 V HN 0.633 8.812 8.190 -0.017 0.000 0.438 62 P HA 0.141 4.520 4.420 -0.068 0.000 0.278 62 P C -1.436 175.827 177.300 -0.061 0.000 1.238 62 P CA -1.008 62.066 63.100 -0.044 0.000 0.794 62 P CB 0.798 32.492 31.700 -0.009 0.000 0.955 63 V N 3.010 122.875 119.914 -0.082 0.000 2.516 63 V HA 0.260 4.345 4.120 -0.059 0.000 0.271 63 V C -0.521 175.532 176.094 -0.069 0.000 0.992 63 V CA -1.541 60.713 62.300 -0.078 0.000 0.857 63 V CB 0.624 32.384 31.823 -0.106 0.000 1.047 63 V HN 0.368 8.503 8.190 -0.093 0.000 0.455 64 A N 8.691 131.482 122.820 -0.048 0.000 3.669 64 A HA -0.424 3.878 4.320 -0.031 0.000 0.348 64 A C 0.323 177.883 177.584 -0.040 0.000 1.734 64 A CA 2.717 54.730 52.037 -0.040 0.000 0.908 64 A CB -1.495 17.480 19.000 -0.043 0.000 1.468 64 A HN 0.444 8.569 8.150 -0.040 0.000 0.604 65 E N 1.452 121.622 120.200 -0.051 0.000 2.485 65 E HA 0.121 4.450 4.350 -0.036 0.000 0.213 65 E C 0.498 177.059 176.600 -0.066 0.000 0.923 65 E CA -0.501 55.871 56.400 -0.047 0.000 1.054 65 E CB 1.259 30.934 29.700 -0.040 0.000 1.077 65 E HN 0.419 8.743 8.360 -0.060 0.000 0.509 66 R N 0.271 120.714 120.500 -0.094 0.000 2.691 66 R HA 0.388 4.654 4.340 -0.123 0.000 0.259 66 R C -1.819 174.374 176.300 -0.177 0.000 1.048 66 R CA -1.164 54.855 56.100 -0.136 0.000 1.086 66 R CB 1.590 31.795 30.300 -0.158 0.000 1.166 66 R HN -0.139 8.077 8.270 -0.091 0.000 0.526 67 T N 2.112 116.502 114.554 -0.274 0.000 2.840 67 T HA 0.357 4.634 4.350 -0.289 -0.100 0.287 67 T C -0.962 173.309 174.700 -0.714 0.000 0.991 67 T CA -0.657 61.200 62.100 -0.404 0.000 0.964 67 T CB 1.685 70.326 68.868 -0.379 0.000 0.954 67 T HN -0.030 8.041 8.240 -0.281 0.000 0.438 68 V N 6.019 125.577 119.914 -0.594 0.000 2.612 68 V HA 0.191 3.899 4.120 -0.686 0.000 0.301 68 V C -1.575 174.092 176.094 -0.712 0.000 1.046 68 V CA -1.319 60.617 62.300 -0.607 0.000 0.946 68 V CB 2.281 33.925 31.823 -0.298 0.000 1.003 68 V HN 0.420 8.372 8.190 -0.396 0.000 0.459 69 F N 4.159 123.975 119.950 -0.223 0.000 2.361 69 F HA 0.166 4.525 4.527 -0.280 0.000 0.364 69 F C 0.505 176.178 175.800 -0.211 0.000 1.117 69 F CA -0.777 57.049 58.000 -0.291 0.000 1.071 69 F CB -0.076 38.663 39.000 -0.435 0.000 1.188 69 F HN 0.109 8.219 8.300 -0.318 0.000 0.464 70 V N 5.743 125.661 119.914 0.007 0.000 2.307 70 V HA -0.256 3.730 4.120 -0.223 0.000 0.245 70 V C -0.732 175.343 176.094 -0.032 0.000 1.045 70 V CA 5.309 67.591 62.300 -0.031 0.000 1.024 70 V CB -2.422 29.469 31.823 0.115 0.000 0.651 70 V HN 0.032 8.260 8.190 0.063 0.000 0.449 71 P HA -0.174 4.264 4.420 0.029 0.000 0.219 71 P C 1.323 178.557 177.300 -0.110 0.000 1.146 71 P CA 3.026 66.119 63.100 -0.013 0.000 0.808 71 P CB -0.623 31.073 31.700 -0.007 0.000 0.779 72 R N -1.767 118.595 120.500 -0.230 0.000 2.057 72 R HA -0.236 3.881 4.340 -0.371 0.000 0.229 72 R C 2.108 177.860 176.300 -0.913 0.000 1.136 72 R CA 3.455 59.253 56.100 -0.503 0.000 0.952 72 R CB -0.233 29.743 30.300 -0.541 0.000 0.848 72 R HN -0.211 7.930 8.270 -0.155 0.036 0.430 73 Y N -1.787 118.015 120.300 -0.830 0.000 2.242 73 Y HA -0.245 3.605 4.550 -1.167 0.000 0.291 73 Y C 2.368 178.075 175.900 -0.322 0.000 1.137 73 Y CA 3.876 61.459 58.100 -0.862 0.000 1.181 73 Y CB -0.029 37.708 38.460 -1.206 0.000 0.989 73 Y HN -0.642 7.332 8.280 -0.510 0.000 0.527 74 I N -1.135 119.434 120.570 -0.003 0.000 2.353 74 I HA -0.457 3.908 4.170 0.325 0.000 0.248 74 I C 1.464 177.671 176.117 0.151 0.000 1.119 74 I CA 1.716 63.133 61.300 0.195 0.000 1.417 74 I CB -0.717 37.411 38.000 0.213 0.000 1.078 74 I HN 0.245 8.393 8.210 -0.103 0.000 0.421 75 D N 0.869 121.316 120.400 0.078 0.000 2.149 75 D HA -0.292 4.456 4.640 0.180 0.000 0.198 75 D C 2.255 178.756 176.300 0.335 0.000 0.990 75 D CA 3.948 58.059 54.000 0.184 0.000 0.839 75 D CB -0.132 40.782 40.800 0.189 0.000 0.948 75 D HN -0.218 7.946 8.370 -0.032 0.186 0.460 76 W N -2.323 119.014 121.300 0.061 0.000 2.388 76 W HA -0.050 4.623 4.660 0.021 0.000 0.294 76 W C 2.875 179.422 176.519 0.046 0.000 1.212 76 W CA 0.996 58.350 57.345 0.015 0.000 1.271 76 W CB -0.747 28.667 29.460 -0.077 0.000 1.126 76 W HN -0.596 7.568 8.180 0.137 0.098 0.535 77 I N -3.169 117.594 120.570 0.321 0.000 2.454 77 I HA -0.431 3.868 4.170 0.215 0.000 0.254 77 I C 0.748 176.976 176.117 0.185 0.000 1.156 77 I CA 3.805 65.245 61.300 0.233 0.000 1.433 77 I CB -0.323 37.814 38.000 0.229 0.000 1.082 77 I HN -0.671 7.641 8.210 0.323 0.092 0.432 78 L N -5.642 115.696 121.223 0.192 0.000 2.354 78 L HA -0.006 4.411 4.340 0.129 0.000 0.212 78 L C 1.194 178.168 176.870 0.174 0.000 1.091 78 L CA 1.748 56.683 54.840 0.158 0.000 0.828 78 L CB 0.570 42.715 42.059 0.144 0.000 0.973 78 L HN -0.548 7.674 8.230 0.220 0.140 0.461 79 T N -3.500 111.182 114.554 0.214 0.000 2.866 79 T HA -0.069 4.411 4.350 0.218 0.000 0.250 79 T C 1.562 176.407 174.700 0.242 0.000 1.033 79 T CA 2.850 65.087 62.100 0.228 0.000 1.145 79 T CB 0.326 69.345 68.868 0.251 0.000 0.866 79 T HN -0.082 8.202 8.240 0.243 0.101 0.434 80 T N 4.041 118.708 114.554 0.188 0.000 2.597 80 T HA -0.215 4.302 4.350 0.278 0.000 0.267 80 T C -0.512 174.365 174.700 0.295 0.000 1.053 80 T CA 6.827 69.033 62.100 0.178 0.000 1.165 80 T CB -2.209 66.618 68.868 -0.068 0.000 0.863 80 T HN 0.271 8.502 8.240 0.166 0.109 0.427 81 P HA -0.045 4.659 4.420 0.244 -0.138 0.222 81 P C 0.740 178.202 177.300 0.269 0.000 1.147 81 P CA 2.223 65.460 63.100 0.228 0.000 0.790 81 P CB -0.398 31.398 31.700 0.160 0.000 0.780 82 L N -1.781 119.598 121.223 0.261 0.000 2.179 82 L HA -0.180 4.311 4.340 0.251 0.000 0.208 82 L C 2.047 179.155 176.870 0.396 0.000 1.096 82 L CA 2.488 57.502 54.840 0.289 0.000 0.779 82 L CB -0.589 41.612 42.059 0.236 0.000 0.922 82 L HN -0.376 7.827 8.230 0.243 0.172 0.443 83 I N -1.310 119.485 120.570 0.374 0.000 2.163 83 I HA -0.420 3.937 4.170 0.312 0.000 0.240 83 I C 2.069 178.302 176.117 0.194 0.000 1.081 83 I CA 2.419 63.900 61.300 0.303 0.000 1.353 83 I CB -1.415 36.796 38.000 0.353 0.000 1.054 83 I HN -0.047 8.282 8.210 0.377 0.108 0.407 84 V N -2.233 117.827 119.914 0.243 0.000 2.469 84 V HA -0.464 3.661 4.120 0.008 0.000 0.251 84 V C 1.459 177.656 176.094 0.171 0.000 1.064 84 V CA 3.718 66.106 62.300 0.146 0.000 1.066 84 V CB -0.885 31.058 31.823 0.200 0.000 0.667 84 V HN -0.324 8.086 8.190 0.366 0.000 0.461 85 Y N 0.800 121.206 120.300 0.177 0.000 2.224 85 Y HA -0.420 4.309 4.550 0.298 0.000 0.289 85 Y C 1.121 177.149 175.900 0.214 0.000 1.146 85 Y CA 3.600 61.843 58.100 0.239 0.000 1.182 85 Y CB -0.049 38.546 38.460 0.225 0.000 0.983 85 Y HN -0.540 7.891 8.280 0.428 0.106 0.524 86 F N -0.123 119.890 119.950 0.105 0.000 2.134 86 F HA -0.390 4.152 4.527 0.024 0.000 0.299 86 F C 1.458 177.201 175.800 -0.095 0.000 1.097 86 F CA 3.617 61.615 58.000 -0.003 0.000 1.264 86 F CB 0.115 39.096 39.000 -0.032 0.000 1.001 86 F HN -0.750 7.699 8.300 0.456 0.125 0.479 87 L N -3.141 118.150 121.223 0.114 0.000 2.131 87 L HA -0.345 4.041 4.340 0.076 0.000 0.210 87 L C 2.512 179.351 176.870 -0.053 0.000 1.092 87 L CA 2.976 57.826 54.840 0.017 0.000 0.759 87 L CB -1.437 40.578 42.059 -0.073 0.000 0.903 87 L HN -0.406 7.807 8.230 0.101 0.077 0.435 88 G N -1.852 106.851 108.800 -0.163 0.000 2.443 88 G HA2 -0.260 3.443 3.960 -0.428 0.000 0.219 88 G HA3 -0.260 3.292 3.960 -0.679 0.000 0.219 88 G C 1.534 176.398 174.900 -0.059 0.000 1.131 88 G CA 1.884 46.774 45.100 -0.348 0.000 0.775 88 G HN -0.221 7.877 8.290 -0.119 0.121 0.547 89 L N 1.074 122.229 121.223 -0.115 0.000 2.109 89 L HA -0.327 3.943 4.340 -0.118 0.000 0.207 89 L C 2.322 179.237 176.870 0.075 0.000 1.086 89 L CA 2.429 57.181 54.840 -0.147 0.000 0.760 89 L CB -0.344 41.412 42.059 -0.506 0.000 0.910 89 L HN -0.618 7.357 8.230 -0.197 0.138 0.437 90 L N -1.422 119.863 121.223 0.104 0.000 1.976 90 L HA -0.359 4.053 4.340 0.119 0.000 0.209 90 L C 2.384 179.258 176.870 0.007 0.000 1.071 90 L CA 2.873 57.769 54.840 0.094 0.000 0.746 90 L CB -0.541 41.581 42.059 0.105 0.000 0.890 90 L HN -0.620 7.636 8.230 0.045 0.000 0.432 91 A N -3.158 119.633 122.820 -0.049 0.000 1.854 91 A HA -0.116 4.097 4.320 -0.178 0.000 0.214 91 A C 0.690 178.225 177.584 -0.082 0.000 1.192 91 A CA 1.292 53.248 52.037 -0.135 0.000 0.611 91 A CB 0.936 19.812 19.000 -0.207 0.000 0.832 91 A HN -0.586 7.548 8.150 -0.027 0.000 0.442 92 G N -1.035 107.735 108.800 -0.049 0.000 2.970 92 G HA2 -0.226 3.872 3.960 0.112 0.000 0.249 92 G HA3 -0.226 3.741 3.960 0.013 0.000 0.249 92 G C -0.617 174.295 174.900 0.020 0.000 1.113 92 G CA -0.572 44.544 45.100 0.027 0.000 1.119 92 G HN -0.253 7.898 8.290 -0.076 0.093 0.552 93 L N 0.435 121.642 121.223 -0.027 0.000 2.475 93 L HA -0.072 4.208 4.340 -0.101 0.000 0.212 93 L C 0.138 177.096 176.870 0.146 0.000 1.204 93 L CA 0.757 55.541 54.840 -0.094 0.000 0.843 93 L CB 0.517 42.288 42.059 -0.481 0.000 1.360 93 L HN -0.536 7.625 8.230 -0.116 0.000 0.527 94 D N -2.569 117.893 120.400 0.104 0.000 2.529 94 D HA 0.085 4.798 4.640 0.123 0.000 0.273 94 D C 1.147 177.582 176.300 0.225 0.000 1.197 94 D CA -0.427 53.653 54.000 0.133 0.000 1.070 94 D CB 1.988 42.820 40.800 0.054 0.000 1.134 94 D HN -0.054 8.320 8.370 0.006 0.000 0.590 95 S N 0.684 116.459 115.700 0.125 0.000 2.355 95 S HA -0.285 4.251 4.470 0.110 0.000 0.222 95 S C 1.961 176.631 174.600 0.116 0.000 1.031 95 S CA 3.308 61.571 58.200 0.105 0.000 0.993 95 S CB 0.132 63.358 63.200 0.042 0.000 0.859 95 S HN 0.403 8.761 8.310 0.079 0.000 0.453 96 R N 0.315 120.860 120.500 0.076 0.000 2.090 96 R HA -0.220 4.153 4.340 0.054 0.000 0.228 96 R C 2.179 178.504 176.300 0.042 0.000 1.110 96 R CA 2.892 59.023 56.100 0.053 0.000 0.973 96 R CB 0.056 30.374 30.300 0.030 0.000 0.869 96 R HN -0.793 7.694 8.270 0.062 -0.181 0.440 97 E N -0.064 120.152 120.200 0.025 0.000 2.085 97 E HA -0.295 3.995 4.350 -0.099 0.000 0.194 97 E C 2.340 178.880 176.600 -0.099 0.000 0.994 97 E CA 2.746 59.104 56.400 -0.070 0.000 0.801 97 E CB -0.957 28.679 29.700 -0.107 0.000 0.743 97 E HN -0.094 8.292 8.360 0.044 0.000 0.453 98 F N -1.257 118.661 119.950 -0.053 0.000 2.171 98 F HA -0.238 4.266 4.527 -0.037 0.000 0.300 98 F C 2.076 177.875 175.800 -0.003 0.000 1.090 98 F CA 3.830 61.818 58.000 -0.020 0.000 1.293 98 F CB -0.063 38.949 39.000 0.020 0.000 1.013 98 F HN -0.162 8.292 8.300 0.257 0.000 0.486 99 G N -2.618 106.285 108.800 0.171 0.000 2.448 99 G HA2 -0.284 3.752 3.960 0.125 0.000 0.218 99 G HA3 -0.284 3.725 3.960 0.081 0.000 0.218 99 G C 0.889 175.814 174.900 0.041 0.000 1.135 99 G CA 1.917 47.078 45.100 0.102 0.000 0.784 99 G HN -0.429 7.851 8.290 0.169 0.112 0.543 100 I N 2.540 123.097 120.570 -0.022 0.000 2.286 100 I HA -0.392 3.766 4.170 -0.020 0.000 0.245 100 I C 1.463 177.508 176.117 -0.120 0.000 1.104 100 I CA 3.090 64.342 61.300 -0.080 0.000 1.397 100 I CB 0.185 38.087 38.000 -0.164 0.000 1.072 100 I HN -0.878 7.166 8.210 -0.028 0.150 0.417 101 V N -1.644 118.157 119.914 -0.187 0.000 2.427 101 V HA -0.407 3.603 4.120 -0.184 0.000 0.248 101 V C 1.863 177.977 176.094 0.033 0.000 1.051 101 V CA 4.021 66.236 62.300 -0.141 0.000 1.048 101 V CB -0.189 31.519 31.823 -0.192 0.000 0.666 101 V HN -0.621 7.449 8.190 -0.200 0.000 0.456 102 I N -0.867 119.749 120.570 0.078 0.000 2.286 102 I HA -0.278 3.978 4.170 0.143 0.000 0.245 102 I C 2.153 178.326 176.117 0.092 0.000 1.104 102 I CA 1.874 63.246 61.300 0.121 0.000 1.397 102 I CB -1.598 36.493 38.000 0.151 0.000 1.072 102 I HN -0.396 7.857 8.210 0.072 0.000 0.417 103 T N 1.500 116.096 114.554 0.070 0.000 2.788 103 T HA -0.295 4.091 4.350 0.061 0.000 0.268 103 T C 1.944 176.687 174.700 0.070 0.000 1.044 103 T CA 4.126 66.263 62.100 0.062 0.000 1.139 103 T CB -0.373 68.524 68.868 0.049 0.000 0.867 103 T HN -0.358 7.919 8.240 0.061 0.000 0.454 104 L N 0.923 122.195 121.223 0.082 0.000 2.056 104 L HA -0.331 4.066 4.340 0.096 0.000 0.207 104 L C 1.031 177.966 176.870 0.108 0.000 1.078 104 L CA 3.104 58.008 54.840 0.106 0.000 0.749 104 L CB -0.233 41.920 42.059 0.157 0.000 0.901 104 L HN -0.417 7.842 8.230 0.070 0.013 0.433 105 N N -1.831 116.939 118.700 0.115 0.000 2.289 105 N HA -0.347 4.458 4.740 0.107 0.000 0.184 105 N C 1.935 177.502 175.510 0.095 0.000 1.016 105 N CA 3.250 56.367 53.050 0.112 0.000 0.872 105 N CB 0.041 38.610 38.487 0.136 0.000 0.973 105 N HN -0.446 8.003 8.380 0.116 0.000 0.433 106 T N 3.289 117.897 114.554 0.089 0.000 2.701 106 T HA -0.321 4.084 4.350 0.091 0.000 0.263 106 T C 1.399 176.141 174.700 0.070 0.000 1.040 106 T CA 4.756 66.904 62.100 0.079 0.000 1.147 106 T CB 0.064 68.970 68.868 0.064 0.000 0.865 106 T HN -0.476 7.678 8.240 0.089 0.140 0.426 107 V N 1.682 121.633 119.914 0.061 0.000 2.427 107 V HA -0.380 3.762 4.120 0.037 0.000 0.248 107 V C 1.162 177.289 176.094 0.055 0.000 1.051 107 V CA 3.188 65.517 62.300 0.048 0.000 1.048 107 V CB -0.091 31.758 31.823 0.043 0.000 0.666 107 V HN -0.703 7.525 8.190 0.064 0.000 0.456 108 V N 0.827 120.781 119.914 0.068 0.000 2.261 108 V HA -0.488 3.667 4.120 0.058 0.000 0.246 108 V C 1.788 177.921 176.094 0.064 0.000 1.047 108 V CA 5.089 67.428 62.300 0.065 0.000 1.015 108 V CB -0.229 31.642 31.823 0.081 0.000 0.642 108 V HN -0.150 8.072 8.190 0.075 0.013 0.446 109 M N -1.234 118.420 119.600 0.091 0.000 2.279 109 M HA -0.297 4.287 4.480 0.174 0.000 0.264 109 M C 1.772 178.196 176.300 0.207 0.000 1.062 109 M CA 1.827 57.228 55.300 0.167 0.000 1.099 109 M CB -0.610 32.109 32.600 0.199 0.000 1.394 109 M HN -0.515 7.826 8.290 0.085 0.000 0.426 110 L N -0.927 120.374 121.223 0.129 0.000 2.156 110 L HA -0.221 4.192 4.340 0.122 0.000 0.208 110 L C 1.087 177.998 176.870 0.069 0.000 1.095 110 L CA 2.429 57.322 54.840 0.089 0.000 0.770 110 L CB -0.784 41.288 42.059 0.022 0.000 0.914 110 L HN -0.404 7.753 8.230 0.099 0.132 0.439 111 A N -0.843 122.005 122.820 0.047 0.000 1.858 111 A HA -0.296 4.031 4.320 0.012 0.000 0.216 111 A C 2.340 179.907 177.584 -0.028 0.000 1.190 111 A CA 3.331 55.373 52.037 0.009 0.000 0.617 111 A CB -0.997 18.004 19.000 0.002 0.000 0.827 111 A HN -0.160 7.891 8.150 0.052 0.131 0.443 112 G N -2.051 106.716 108.800 -0.055 0.000 2.418 112 G HA2 -0.314 3.374 3.960 -0.453 0.000 0.217 112 G HA3 -0.314 3.632 3.960 -0.023 0.000 0.217 112 G C 0.844 175.727 174.900 -0.029 0.000 1.158 112 G CA 1.548 46.582 45.100 -0.110 0.000 0.771 112 G HN -0.557 7.729 8.290 -0.008 0.000 0.545 113 F N 3.589 123.389 119.950 -0.249 0.000 2.027 113 F HA -0.499 3.084 4.527 -1.574 0.000 0.297 113 F C 1.493 177.010 175.800 -0.472 0.000 1.129 113 F CA 2.977 60.597 58.000 -0.633 0.000 1.195 113 F CB -0.065 38.787 39.000 -0.248 0.000 0.960 113 F HN -0.526 7.897 8.300 0.205 0.000 0.485 114 A N -3.900 118.991 122.820 0.117 0.000 2.121 114 A HA -0.157 4.206 4.320 0.073 0.000 0.218 114 A C 1.128 178.743 177.584 0.052 0.000 1.154 114 A CA 1.709 53.778 52.037 0.053 0.000 0.679 114 A CB -0.676 18.328 19.000 0.006 0.000 0.795 114 A HN -0.472 7.749 8.150 0.119 0.000 0.458 115 G N -2.086 106.774 108.800 0.099 0.000 2.446 115 G HA2 -0.221 3.883 3.960 0.240 0.000 0.217 115 G HA3 -0.221 4.076 3.960 0.505 -0.034 0.217 115 G C 1.083 176.157 174.900 0.290 0.000 1.168 115 G CA 1.303 46.588 45.100 0.309 0.000 0.771 115 G HN -0.500 7.648 8.290 0.054 0.174 0.551 116 A N -1.188 121.727 122.820 0.157 0.000 2.119 116 A HA -0.024 4.246 4.320 -0.082 0.000 0.216 116 A C 0.363 177.891 177.584 -0.093 0.000 1.152 116 A CA 1.133 53.147 52.037 -0.040 0.000 0.708 116 A CB -0.071 18.881 19.000 -0.080 0.000 0.805 116 A HN -0.607 7.595 8.150 0.086 0.000 0.460 117 M N -2.100 117.463 119.600 -0.062 0.000 2.581 117 M HA 0.002 4.441 4.480 -0.068 0.000 0.224 117 M C 0.173 176.454 176.300 -0.031 0.000 1.171 117 M CA -0.990 54.284 55.300 -0.044 0.000 0.993 117 M CB -0.893 31.710 32.600 0.004 0.000 1.685 117 M HN -0.642 7.447 8.290 -0.040 0.177 0.479 118 V N -2.347 117.548 119.914 -0.032 0.000 2.649 118 V HA 0.222 4.332 4.120 -0.018 0.000 0.292 118 V C -0.824 175.242 176.094 -0.046 0.000 1.055 118 V CA -2.777 59.505 62.300 -0.030 0.000 1.023 118 V CB -0.119 31.687 31.823 -0.027 0.000 0.992 118 V HN -0.763 7.298 8.190 -0.035 0.108 0.480 119 P HA 0.118 4.514 4.420 -0.041 0.000 0.255 119 P C -0.731 176.549 177.300 -0.034 0.000 1.248 119 P CA 0.405 63.484 63.100 -0.034 0.000 0.807 119 P CB 0.588 32.274 31.700 -0.023 0.000 1.150 120 G N 0.528 109.306 108.800 -0.037 0.000 3.341 120 G HA2 0.204 4.146 3.960 -0.029 0.000 0.186 120 G HA3 0.204 4.156 3.960 -0.014 0.000 0.186 120 G C -1.495 173.368 174.900 -0.061 0.000 1.430 120 G CA 0.052 45.133 45.100 -0.032 0.000 0.961 120 G HN -0.334 7.863 8.290 -0.040 0.069 0.767 121 I N -4.526 116.016 120.570 -0.046 0.000 4.160 121 I HA 0.415 4.423 4.170 -0.270 0.000 0.325 121 I C 0.399 176.461 176.117 -0.092 0.000 1.455 121 I CA -0.284 60.942 61.300 -0.124 0.000 1.142 121 I CB 1.405 39.435 38.000 0.049 0.000 1.262 121 I HN -0.268 7.938 8.210 -0.007 0.000 0.483 122 E N 2.504 122.694 120.200 -0.015 0.000 2.331 122 E HA -0.296 4.107 4.350 0.088 0.000 0.199 122 E C 1.898 178.529 176.600 0.051 0.000 1.008 122 E CA 3.215 59.640 56.400 0.041 0.000 0.843 122 E CB -0.967 28.753 29.700 0.034 0.000 0.761 122 E HN 0.514 8.863 8.360 -0.018 0.000 0.507 123 R N -1.135 119.355 120.500 -0.015 0.000 2.117 123 R HA -0.337 4.100 4.340 0.162 0.000 0.243 123 R C 1.572 178.008 176.300 0.227 0.000 1.143 123 R CA 2.856 59.022 56.100 0.109 0.000 0.968 123 R CB -1.329 29.032 30.300 0.101 0.000 0.863 123 R HN 0.124 8.279 8.270 -0.092 0.060 0.444 124 Y N -0.367 120.091 120.300 0.263 0.000 2.193 124 Y HA -0.407 4.361 4.550 0.363 0.000 0.285 124 Y C 2.445 178.438 175.900 0.156 0.000 1.166 124 Y CA 2.086 60.333 58.100 0.244 0.000 1.181 124 Y CB -1.115 37.441 38.460 0.160 0.000 0.976 124 Y HN -0.441 7.691 8.280 -0.219 0.017 0.520 125 A N -1.449 121.521 122.820 0.251 0.000 1.872 125 A HA -0.250 4.139 4.320 0.115 0.000 0.214 125 A C 1.681 179.322 177.584 0.095 0.000 1.187 125 A CA 2.629 54.748 52.037 0.136 0.000 0.614 125 A CB -0.744 18.317 19.000 0.102 0.000 0.826 125 A HN -0.150 8.012 8.150 0.239 0.131 0.442 126 L N -1.147 120.140 121.223 0.107 0.000 1.971 126 L HA -0.402 3.964 4.340 0.044 0.000 0.215 126 L C 2.194 179.100 176.870 0.060 0.000 1.072 126 L CA 3.597 58.479 54.840 0.070 0.000 0.758 126 L CB -0.404 41.699 42.059 0.074 0.000 0.889 126 L HN -0.755 7.551 8.230 0.127 0.000 0.433 127 F N -0.869 119.000 119.950 -0.135 0.000 2.269 127 F HA -0.261 4.025 4.527 -0.401 0.000 0.301 127 F C 1.626 177.361 175.800 -0.109 0.000 1.082 127 F CA 1.075 58.904 58.000 -0.285 0.000 1.360 127 F CB -0.434 38.285 39.000 -0.468 0.000 1.041 127 F HN 0.306 8.736 8.300 0.217 0.000 0.512 128 G N -1.075 107.644 108.800 -0.136 0.000 2.513 128 G HA2 -0.545 3.206 3.960 -0.348 0.000 0.219 128 G HA3 -0.545 3.404 3.960 -0.086 -0.041 0.219 128 G C 0.628 175.405 174.900 -0.205 0.000 1.160 128 G CA 2.550 47.522 45.100 -0.213 0.000 0.767 128 G HN -0.280 7.910 8.290 0.049 0.129 0.571 129 M N 1.260 120.798 119.600 -0.103 0.000 2.254 129 M HA -0.052 4.387 4.480 -0.068 0.000 0.265 129 M C 1.939 178.202 176.300 -0.062 0.000 1.066 129 M CA 1.680 56.940 55.300 -0.065 0.000 1.123 129 M CB -0.589 31.997 32.600 -0.023 0.000 1.388 129 M HN -0.523 7.736 8.290 -0.058 -0.004 0.425 130 G N -0.847 107.915 108.800 -0.064 0.000 2.432 130 G HA2 -0.376 3.611 3.960 0.046 0.000 0.219 130 G HA3 -0.376 3.653 3.960 0.119 0.003 0.219 130 G C 0.718 175.615 174.900 -0.006 0.000 1.135 130 G CA 1.751 46.863 45.100 0.020 0.000 0.767 130 G HN -0.285 7.842 8.290 -0.069 0.123 0.550 131 A N 2.081 124.727 122.820 -0.289 0.000 1.854 131 A HA -0.079 4.196 4.320 -0.076 0.000 0.214 131 A C 1.963 179.533 177.584 -0.022 0.000 1.192 131 A CA 2.803 54.694 52.037 -0.243 0.000 0.611 131 A CB -0.575 18.077 19.000 -0.580 0.000 0.832 131 A HN 0.175 7.919 8.150 -0.480 0.118 0.442 132 V N -0.769 119.095 119.914 -0.083 0.000 2.287 132 V HA -0.536 3.560 4.120 -0.040 0.000 0.248 132 V C 2.299 178.390 176.094 -0.005 0.000 1.053 132 V CA 3.661 65.935 62.300 -0.043 0.000 1.027 132 V CB -1.060 30.726 31.823 -0.061 0.000 0.646 132 V HN -0.595 7.503 8.190 -0.153 0.000 0.447 133 A N -0.617 122.214 122.820 0.018 0.000 1.940 133 A HA -0.277 4.056 4.320 0.022 0.000 0.219 133 A C 1.816 179.457 177.584 0.094 0.000 1.176 133 A CA 3.017 55.083 52.037 0.049 0.000 0.631 133 A CB -0.844 18.193 19.000 0.062 0.000 0.814 133 A HN 0.251 8.291 8.150 -0.001 0.109 0.446 134 F N 0.149 120.094 119.950 -0.009 0.000 2.069 134 F HA -0.414 4.137 4.527 0.040 0.000 0.298 134 F C 1.338 177.161 175.800 0.039 0.000 1.113 134 F CA 2.682 60.695 58.000 0.021 0.000 1.214 134 F CB 0.094 39.101 39.000 0.011 0.000 0.978 134 F HN -0.582 7.652 8.300 0.231 0.204 0.474 135 I N -2.747 117.771 120.570 -0.086 0.000 2.335 135 I HA -0.622 3.372 4.170 -0.293 0.000 0.251 135 I C 2.176 178.183 176.117 -0.184 0.000 1.129 135 I CA 3.675 64.870 61.300 -0.174 0.000 1.402 135 I CB -0.870 37.098 38.000 -0.054 0.000 1.069 135 I HN 0.025 8.302 8.210 0.112 0.000 0.424 136 G N -1.207 107.505 108.800 -0.146 0.000 2.418 136 G HA2 -0.306 3.471 3.960 -0.305 0.000 0.217 136 G HA3 -0.306 3.606 3.960 -0.127 -0.028 0.217 136 G C 0.836 175.621 174.900 -0.193 0.000 1.158 136 G CA 2.044 47.026 45.100 -0.198 0.000 0.771 136 G HN -0.342 7.764 8.290 -0.088 0.131 0.545 137 L N 2.166 123.366 121.223 -0.039 0.000 2.005 137 L HA -0.167 4.451 4.340 0.464 0.000 0.207 137 L C 1.703 178.573 176.870 0.000 0.000 1.072 137 L CA 2.096 57.013 54.840 0.127 0.000 0.744 137 L CB -0.004 42.134 42.059 0.130 0.000 0.895 137 L HN -0.630 7.459 8.230 -0.072 0.097 0.433 138 V N -2.745 117.028 119.914 -0.233 0.000 2.469 138 V HA -0.638 3.391 4.120 -0.151 0.000 0.251 138 V C 1.274 177.301 176.094 -0.112 0.000 1.064 138 V CA 4.127 66.299 62.300 -0.212 0.000 1.066 138 V CB -0.342 31.273 31.823 -0.347 0.000 0.667 138 V HN -0.252 7.673 8.190 -0.442 0.000 0.461 139 Y N 1.668 121.819 120.300 -0.248 0.000 2.145 139 Y HA -0.478 3.965 4.550 -0.178 0.000 0.286 139 Y C 0.826 176.614 175.900 -0.188 0.000 1.145 139 Y CA 4.450 62.397 58.100 -0.254 0.000 1.148 139 Y CB -0.243 37.987 38.460 -0.382 0.000 0.981 139 Y HN -0.300 7.831 8.280 -0.075 0.104 0.507 140 Y N -5.501 114.769 120.300 -0.051 0.000 2.207 140 Y HA -0.390 4.029 4.550 -0.219 0.000 0.287 140 Y C 1.897 177.701 175.900 -0.160 0.000 1.156 140 Y CA 2.590 60.614 58.100 -0.127 0.000 1.182 140 Y CB -0.683 37.766 38.460 -0.018 0.000 0.979 140 Y HN -0.930 7.170 8.280 -0.166 0.080 0.521 141 L N -3.028 118.196 121.223 0.001 0.000 2.012 141 L HA -0.317 3.996 4.340 -0.044 0.000 0.210 141 L C 1.894 178.717 176.870 -0.079 0.000 1.073 141 L CA 2.729 57.527 54.840 -0.070 0.000 0.748 141 L CB 0.067 42.044 42.059 -0.138 0.000 0.891 141 L HN -0.408 7.716 8.230 0.009 0.112 0.431 142 V N -5.456 114.374 119.914 -0.140 0.000 3.271 142 V HA 0.195 4.292 4.120 -0.040 0.000 0.327 142 V C -0.511 175.451 176.094 -0.221 0.000 1.389 142 V CA -1.603 60.621 62.300 -0.127 0.000 1.156 142 V CB -0.133 31.614 31.823 -0.127 0.000 1.103 142 V HN -0.811 7.273 8.190 -0.177 0.000 0.453 143 G N -0.004 108.600 108.800 -0.327 0.000 3.137 143 G HA2 0.320 3.924 3.960 -0.593 0.000 0.163 143 G HA3 0.320 3.893 3.960 -0.692 -0.028 0.163 143 G C -1.829 172.957 174.900 -0.189 0.000 1.602 143 G CA 0.020 44.833 45.100 -0.478 0.000 1.067 143 G HN -0.597 7.319 8.290 -0.240 0.230 0.568 144 P HA -0.186 4.195 4.420 -0.066 0.000 0.219 144 P C 1.087 178.330 177.300 -0.095 0.000 1.146 144 P CA 2.190 65.251 63.100 -0.066 0.000 0.808 144 P CB 0.232 31.922 31.700 -0.016 0.000 0.779 145 M N -4.467 115.088 119.600 -0.075 0.000 2.267 145 M HA -0.412 3.966 4.480 -0.171 0.000 0.263 145 M C 1.778 177.888 176.300 -0.317 0.000 1.063 145 M CA 3.863 59.095 55.300 -0.115 0.000 1.090 145 M CB -0.492 32.152 32.600 0.073 0.000 1.392 145 M HN -0.314 7.912 8.290 -0.042 0.039 0.422 146 T N -0.953 113.520 114.554 -0.135 0.000 2.674 146 T HA -0.339 3.852 4.350 -0.265 0.000 0.265 146 T C 1.967 176.508 174.700 -0.266 0.000 1.039 146 T CA 4.658 66.656 62.100 -0.168 0.000 1.150 146 T CB -0.663 68.212 68.868 0.011 0.000 0.864 146 T HN 0.072 8.133 8.240 -0.046 0.152 0.427 147 E N 1.041 121.137 120.200 -0.174 0.000 2.216 147 E HA -0.159 4.113 4.350 -0.129 0.000 0.192 147 E C 1.712 178.209 176.600 -0.172 0.000 0.988 147 E CA 2.034 58.349 56.400 -0.143 0.000 0.834 147 E CB -0.527 29.119 29.700 -0.090 0.000 0.772 147 E HN -0.548 7.731 8.360 -0.136 0.000 0.479 148 S N -0.679 114.897 115.700 -0.207 0.000 2.371 148 S HA -0.212 4.176 4.470 -0.138 0.000 0.224 148 S C 1.465 175.920 174.600 -0.242 0.000 1.029 148 S CA 2.803 60.888 58.200 -0.191 0.000 0.978 148 S CB 0.136 63.229 63.200 -0.178 0.000 0.833 148 S HN -0.457 7.699 8.310 -0.216 0.025 0.466 149 A N -0.004 122.567 122.820 -0.416 0.000 1.898 149 A HA -0.051 4.098 4.320 -0.284 0.000 0.214 149 A C 1.695 179.088 177.584 -0.317 0.000 1.183 149 A CA 2.360 54.128 52.037 -0.448 0.000 0.622 149 A CB 0.050 18.508 19.000 -0.904 0.000 0.824 149 A HN -0.212 7.613 8.150 -0.541 0.000 0.444 150 S N -3.666 111.838 115.700 -0.327 0.000 2.537 150 S HA -0.291 4.098 4.470 -0.136 0.000 0.240 150 S C -0.177 174.353 174.600 -0.117 0.000 0.981 150 S CA 1.554 59.650 58.200 -0.173 0.000 0.948 150 S CB -0.232 62.887 63.200 -0.134 0.000 0.759 150 S HN -0.461 7.590 8.310 -0.433 0.000 0.531 151 Q N -2.991 116.734 119.800 -0.125 0.000 2.112 151 Q HA 0.093 4.392 4.340 -0.068 0.000 0.222 151 Q C -0.162 175.792 176.000 -0.075 0.000 0.798 151 Q CA -0.174 55.578 55.803 -0.085 0.000 1.060 151 Q CB 0.826 29.518 28.738 -0.076 0.000 1.184 151 Q HN -0.685 7.296 8.270 -0.165 0.190 0.475 152 R N -0.460 119.987 120.500 -0.087 0.000 2.074 152 R HA 0.042 4.349 4.340 -0.055 0.000 0.218 152 R C -0.444 175.828 176.300 -0.046 0.000 1.137 152 R CA 0.708 56.769 56.100 -0.066 0.000 0.998 152 R CB 1.906 32.161 30.300 -0.076 0.000 0.895 152 R HN -0.101 7.932 8.270 -0.111 0.171 0.442 153 S N -5.776 109.895 115.700 -0.050 0.000 2.643 153 S HA 0.213 4.667 4.470 -0.027 0.000 0.270 153 S C -0.276 174.304 174.600 -0.034 0.000 1.166 153 S CA -0.847 57.333 58.200 -0.035 0.000 0.815 153 S CB 1.057 64.239 63.200 -0.031 0.000 1.139 153 S HN -0.706 7.565 8.310 -0.064 0.000 0.472 154 S N 1.788 117.474 115.700 -0.023 0.000 2.371 154 S HA -0.060 4.398 4.470 -0.021 0.000 0.224 154 S C 1.871 176.458 174.600 -0.022 0.000 1.029 154 S CA 2.526 60.714 58.200 -0.019 0.000 0.978 154 S CB -0.307 62.886 63.200 -0.011 0.000 0.833 154 S HN 0.321 8.621 8.310 -0.016 0.000 0.466 155 G N 1.912 110.696 108.800 -0.027 0.000 2.464 155 G HA2 -0.129 3.815 3.960 -0.026 0.000 0.217 155 G HA3 -0.129 3.805 3.960 -0.043 0.000 0.217 155 G C 0.773 175.651 174.900 -0.036 0.000 1.138 155 G CA 1.436 46.516 45.100 -0.034 0.000 0.793 155 G HN -0.530 7.745 8.290 -0.026 0.000 0.539 156 I N 1.150 121.693 120.570 -0.044 0.000 2.264 156 I HA -0.451 3.690 4.170 -0.048 0.000 0.248 156 I C 1.680 177.804 176.117 0.012 0.000 1.111 156 I CA 1.873 63.150 61.300 -0.038 0.000 1.382 156 I CB -0.724 37.239 38.000 -0.062 0.000 1.060 156 I HN -0.197 7.958 8.210 -0.046 0.027 0.418 157 K N -2.300 118.101 120.400 0.001 0.000 2.103 157 K HA -0.452 3.903 4.320 0.060 0.000 0.207 157 K C 2.532 179.174 176.600 0.070 0.000 1.048 157 K CA 4.037 60.348 56.287 0.040 0.000 0.930 157 K CB -0.632 31.874 32.500 0.009 0.000 0.716 157 K HN 0.006 8.233 8.250 -0.020 0.011 0.444 158 S N -0.456 115.262 115.700 0.029 0.000 2.357 158 S HA -0.195 4.285 4.470 0.017 0.000 0.221 158 S C 1.758 176.368 174.600 0.017 0.000 1.031 158 S CA 3.081 61.291 58.200 0.017 0.000 0.982 158 S CB -0.210 62.990 63.200 0.000 0.000 0.853 158 S HN -0.663 7.551 8.310 0.011 0.103 0.458 159 L N 1.062 122.296 121.223 0.018 0.000 2.201 159 L HA -0.314 4.026 4.340 -0.000 0.000 0.212 159 L C 1.880 178.765 176.870 0.024 0.000 1.105 159 L CA 2.768 57.615 54.840 0.013 0.000 0.775 159 L CB -0.047 42.011 42.059 -0.002 0.000 0.913 159 L HN -0.523 7.713 8.230 0.010 0.000 0.440 160 Y N -0.016 120.242 120.300 -0.069 0.000 2.184 160 Y HA -0.373 4.120 4.550 -0.096 0.000 0.290 160 Y C 1.467 177.313 175.900 -0.089 0.000 1.129 160 Y CA 4.006 62.056 58.100 -0.084 0.000 1.144 160 Y CB 0.354 38.768 38.460 -0.077 0.000 0.995 160 Y HN 0.140 8.489 8.280 0.162 0.028 0.513 161 V N -2.842 117.015 119.914 -0.093 0.000 2.358 161 V HA -0.500 3.435 4.120 -0.309 0.000 0.246 161 V C 2.084 178.068 176.094 -0.183 0.000 1.047 161 V CA 3.872 66.069 62.300 -0.172 0.000 1.035 161 V CB -0.273 31.530 31.823 -0.033 0.000 0.658 161 V HN -0.411 7.827 8.190 0.079 0.000 0.452 162 R N -0.954 119.477 120.500 -0.116 0.000 2.075 162 R HA -0.217 4.076 4.340 -0.080 0.000 0.232 162 R C 2.796 179.014 176.300 -0.136 0.000 1.126 162 R CA 1.923 57.968 56.100 -0.092 0.000 0.963 162 R CB -0.892 29.383 30.300 -0.040 0.000 0.858 162 R HN -0.533 7.691 8.270 -0.076 0.000 0.435 163 L N -0.329 120.779 121.223 -0.191 0.000 2.023 163 L HA -0.202 4.010 4.340 -0.213 0.000 0.205 163 L C 2.007 178.654 176.870 -0.371 0.000 1.073 163 L CA 3.081 57.751 54.840 -0.284 0.000 0.745 163 L CB -0.560 41.279 42.059 -0.367 0.000 0.900 163 L HN -0.333 7.792 8.230 -0.174 0.000 0.435 164 R N -1.082 119.145 120.500 -0.454 0.000 2.080 164 R HA -0.471 3.586 4.340 -0.472 0.000 0.236 164 R C 2.082 178.177 176.300 -0.342 0.000 1.137 164 R CA 3.487 59.291 56.100 -0.494 0.000 0.943 164 R CB -0.448 29.378 30.300 -0.790 0.000 0.846 164 R HN 0.167 8.140 8.270 -0.496 0.000 0.431 165 N N -0.786 117.747 118.700 -0.279 0.000 2.058 165 N HA -0.309 4.340 4.740 -0.153 0.000 0.191 165 N C 2.267 177.703 175.510 -0.124 0.000 1.037 165 N CA 3.005 55.954 53.050 -0.168 0.000 0.848 165 N CB -0.003 38.409 38.487 -0.126 0.000 1.021 165 N HN -0.502 7.692 8.380 -0.311 0.000 0.422 166 L N 0.145 121.293 121.223 -0.126 0.000 1.994 166 L HA -0.335 3.982 4.340 -0.039 0.000 0.208 166 L C 1.238 178.045 176.870 -0.106 0.000 1.071 166 L CA 3.627 58.419 54.840 -0.080 0.000 0.745 166 L CB 0.079 42.104 42.059 -0.056 0.000 0.892 166 L HN -0.485 7.657 8.230 -0.147 0.000 0.431 167 T N 1.347 115.764 114.554 -0.228 0.000 2.652 167 T HA -0.512 3.635 4.350 -0.339 0.000 0.267 167 T C 1.846 176.362 174.700 -0.307 0.000 1.039 167 T CA 4.975 66.831 62.100 -0.407 0.000 1.153 167 T CB -0.190 68.255 68.868 -0.705 0.000 0.863 167 T HN -0.005 8.080 8.240 -0.259 0.000 0.428 168 V N 1.336 121.121 119.914 -0.214 0.000 2.332 168 V HA -0.440 3.723 4.120 0.072 0.000 0.248 168 V C 1.494 177.686 176.094 0.163 0.000 1.055 168 V CA 3.562 65.858 62.300 -0.006 0.000 1.038 168 V CB -0.497 31.289 31.823 -0.061 0.000 0.651 168 V HN -0.383 7.646 8.190 -0.269 0.000 0.450 169 V N -0.444 119.526 119.914 0.093 0.000 2.216 169 V HA -0.544 3.674 4.120 0.165 0.000 0.243 169 V C 1.842 178.066 176.094 0.216 0.000 1.044 169 V CA 4.329 66.715 62.300 0.143 0.000 0.995 169 V CB 0.051 31.923 31.823 0.082 0.000 0.633 169 V HN -0.713 7.473 8.190 0.011 0.011 0.446 170 L N -5.509 115.825 121.223 0.185 0.000 2.191 170 L HA -0.216 4.226 4.340 0.170 0.000 0.212 170 L C 2.530 179.606 176.870 0.343 0.000 1.103 170 L CA 3.043 58.006 54.840 0.204 0.000 0.769 170 L CB -0.982 41.156 42.059 0.132 0.000 0.908 170 L HN -0.653 7.650 8.230 0.121 0.000 0.438 171 W N 0.398 121.818 121.300 0.200 0.000 2.418 171 W HA -0.202 4.790 4.660 0.554 0.000 0.292 171 W C 2.126 178.888 176.519 0.404 0.000 1.213 171 W CA 2.565 60.144 57.345 0.390 0.000 1.283 171 W CB -0.900 28.783 29.460 0.372 0.000 1.119 171 W HN 0.230 8.685 8.180 0.499 0.025 0.542 172 A N -1.420 121.774 122.820 0.624 0.000 2.216 172 A HA -0.102 4.583 4.320 0.609 0.000 0.214 172 A C 0.810 178.516 177.584 0.204 0.000 1.160 172 A CA 2.241 54.572 52.037 0.490 0.000 0.725 172 A CB -1.038 18.247 19.000 0.475 0.000 0.784 172 A HN 0.005 8.282 8.150 0.558 0.208 0.472 173 I N -3.743 116.972 120.570 0.242 0.000 3.030 173 I HA -0.130 4.468 4.170 0.714 0.000 0.270 173 I C 1.138 177.307 176.117 0.087 0.000 1.211 173 I CA -0.160 61.320 61.300 0.300 0.000 1.479 173 I CB -0.833 37.281 38.000 0.190 0.000 1.105 173 I HN -0.686 7.474 8.210 0.271 0.213 0.447 174 Y N 0.696 120.933 120.300 -0.107 0.000 2.081 174 Y HA -0.278 4.198 4.550 -0.123 0.000 0.280 174 Y C -1.096 174.664 175.900 -0.234 0.000 1.163 174 Y CA 6.560 64.526 58.100 -0.225 0.000 1.135 174 Y CB -3.367 34.826 38.460 -0.445 0.000 0.970 174 Y HN -0.374 7.788 8.280 0.057 0.153 0.498 175 P HA -0.272 4.113 4.420 -0.059 0.000 0.218 175 P C 1.321 178.583 177.300 -0.064 0.000 1.146 175 P CA 2.877 65.882 63.100 -0.158 0.000 0.813 175 P CB -0.774 30.733 31.700 -0.323 0.000 0.778 176 F N -2.366 117.660 119.950 0.127 0.000 2.179 176 F HA -0.157 4.468 4.527 0.162 0.000 0.292 176 F C 2.073 177.927 175.800 0.091 0.000 1.089 176 F CA 3.327 61.398 58.000 0.119 0.000 1.295 176 F CB -0.342 38.704 39.000 0.077 0.000 1.041 176 F HN -0.644 7.367 8.300 -0.236 0.147 0.487 177 I N -0.469 120.245 120.570 0.239 0.000 2.315 177 I HA -0.331 3.911 4.170 0.120 0.000 0.248 177 I C 1.775 177.971 176.117 0.132 0.000 1.117 177 I CA 1.669 63.054 61.300 0.141 0.000 1.404 177 I CB -1.312 36.729 38.000 0.069 0.000 1.071 177 I HN -0.454 7.887 8.210 0.218 0.000 0.419 178 W N -0.810 120.461 121.300 -0.049 0.000 2.407 178 W HA -0.355 4.286 4.660 -0.033 0.000 0.305 178 W C 1.748 178.182 176.519 -0.142 0.000 1.196 178 W CA 3.746 61.017 57.345 -0.123 0.000 1.311 178 W CB 0.768 30.047 29.460 -0.303 0.000 1.135 178 W HN -0.010 8.317 8.180 0.245 0.000 0.514 179 L N -1.630 119.747 121.223 0.256 0.000 2.027 179 L HA -0.357 4.189 4.340 0.344 0.000 0.206 179 L C 1.743 178.689 176.870 0.127 0.000 1.074 179 L CA 3.055 58.073 54.840 0.297 0.000 0.745 179 L CB -0.294 42.064 42.059 0.497 0.000 0.898 179 L HN -0.732 7.649 8.230 0.252 0.000 0.433 180 L N -4.708 116.597 121.223 0.137 0.000 2.068 180 L HA -0.118 4.279 4.340 0.094 0.000 0.204 180 L C 1.350 178.219 176.870 -0.002 0.000 1.076 180 L CA 1.678 56.570 54.840 0.086 0.000 0.753 180 L CB -0.584 41.544 42.059 0.116 0.000 0.910 180 L HN 0.253 8.489 8.230 0.192 0.110 0.439 181 G N -2.564 106.219 108.800 -0.028 0.000 2.661 181 G HA2 -0.027 3.886 3.960 -0.050 0.000 0.272 181 G HA3 -0.027 4.308 3.960 -0.071 -0.417 0.272 181 G C -1.673 173.130 174.900 -0.162 0.000 1.296 181 G CA -0.443 44.611 45.100 -0.077 0.000 0.998 181 G HN -0.545 7.639 8.290 0.013 0.113 0.553 182 P HA -0.127 4.197 4.420 -0.160 0.000 0.216 182 P C -1.527 175.572 177.300 -0.335 0.000 1.154 182 P CA 2.754 65.737 63.100 -0.195 0.000 0.865 182 P CB -1.055 30.555 31.700 -0.150 0.000 0.789 183 P HA -0.084 3.973 4.420 -0.604 0.000 0.229 183 P C -0.628 175.903 177.300 -1.283 0.000 1.150 183 P CA 0.905 63.486 63.100 -0.865 0.000 0.765 183 P CB -0.262 30.740 31.700 -1.162 0.000 0.783 184 G N -3.031 105.276 108.800 -0.821 0.000 2.446 184 G HA2 0.266 3.756 3.960 -0.783 0.000 0.202 184 G HA3 0.266 4.188 3.960 -0.399 -0.201 0.202 184 G C -0.210 174.551 174.900 -0.231 0.000 1.842 184 G CA 0.655 45.406 45.100 -0.582 0.000 0.703 184 G HN -0.245 7.507 8.290 -0.559 0.203 0.731 185 V N -3.123 116.740 119.914 -0.085 0.000 3.502 185 V HA 0.233 4.348 4.120 -0.008 0.000 0.288 185 V C -0.750 175.325 176.094 -0.033 0.000 1.461 185 V CA -1.841 60.458 62.300 -0.003 0.000 1.029 185 V CB 1.554 33.436 31.823 0.098 0.000 0.843 185 V HN -0.287 7.855 8.190 -0.080 0.000 0.438 186 A N -0.224 122.554 122.820 -0.070 0.000 1.848 186 A HA -0.292 4.046 4.320 -0.072 -0.061 0.241 186 A C -0.956 176.613 177.584 -0.025 0.000 1.341 186 A CA 1.217 53.218 52.037 -0.060 0.000 0.706 186 A CB -1.951 17.007 19.000 -0.070 0.000 1.189 186 A HN -0.259 7.759 8.150 -0.105 0.069 0.259 187 L N 1.177 122.393 121.223 -0.012 0.000 2.200 187 L HA -0.093 4.249 4.340 0.003 0.000 0.200 187 L C 1.093 177.959 176.870 -0.007 0.000 1.072 187 L CA 1.366 56.206 54.840 0.000 0.000 0.787 187 L CB 0.443 42.510 42.059 0.015 0.000 0.957 187 L HN 0.215 8.342 8.230 -0.015 0.095 0.459 188 L N -2.753 118.463 121.223 -0.012 0.000 3.011 188 L HA 0.110 4.443 4.340 -0.013 0.000 0.185 188 L C -0.493 176.365 176.870 -0.019 0.000 1.457 188 L CA -0.838 53.992 54.840 -0.016 0.000 1.482 188 L CB 0.629 42.678 42.059 -0.018 0.000 2.432 188 L HN -0.626 7.597 8.230 -0.012 0.000 0.546 189 T N 0.390 114.931 114.554 -0.020 0.000 2.845 189 T HA 0.262 4.602 4.350 -0.017 0.000 0.288 189 T C -0.621 174.065 174.700 -0.024 0.000 0.980 189 T CA -1.681 60.408 62.100 -0.019 0.000 1.071 189 T CB 0.199 69.058 68.868 -0.014 0.000 0.941 189 T HN 0.034 8.261 8.240 -0.021 0.000 0.487 190 P HA -0.244 4.154 4.420 -0.036 0.000 0.217 190 P C 0.944 178.228 177.300 -0.027 0.000 1.151 190 P CA 2.671 65.756 63.100 -0.025 0.000 0.849 190 P CB -0.295 31.398 31.700 -0.012 0.000 0.787 191 T N -3.499 111.043 114.554 -0.021 0.000 2.770 191 T HA -0.192 4.130 4.350 -0.047 0.000 0.263 191 T C 1.822 176.493 174.700 -0.049 0.000 1.039 191 T CA 3.250 65.331 62.100 -0.032 0.000 1.142 191 T CB -0.302 68.560 68.868 -0.009 0.000 0.868 191 T HN -0.289 7.925 8.240 -0.011 0.019 0.435 192 V N 2.400 122.292 119.914 -0.038 0.000 2.255 192 V HA -0.437 3.656 4.120 -0.045 0.000 0.247 192 V C 1.789 177.855 176.094 -0.047 0.000 1.051 192 V CA 4.004 66.279 62.300 -0.042 0.000 1.018 192 V CB -0.315 31.488 31.823 -0.034 0.000 0.641 192 V HN -0.461 7.643 8.190 -0.028 0.069 0.445 193 D N -1.067 119.308 120.400 -0.041 0.000 2.116 193 D HA -0.321 4.304 4.640 -0.025 0.000 0.193 193 D C 2.359 178.634 176.300 -0.043 0.000 0.998 193 D CA 3.646 57.625 54.000 -0.034 0.000 0.836 193 D CB 0.090 40.870 40.800 -0.034 0.000 0.951 193 D HN -0.233 8.114 8.370 -0.037 0.000 0.449 194 V N 0.244 120.114 119.914 -0.073 0.000 2.332 194 V HA -0.546 3.512 4.120 -0.104 0.000 0.248 194 V C 1.492 177.509 176.094 -0.129 0.000 1.055 194 V CA 4.193 66.413 62.300 -0.132 0.000 1.038 194 V CB -0.325 31.357 31.823 -0.235 0.000 0.651 194 V HN -0.720 7.428 8.190 -0.070 0.000 0.450 195 A N -0.775 121.983 122.820 -0.103 0.000 1.917 195 A HA -0.338 3.936 4.320 -0.078 0.000 0.219 195 A C 2.516 180.103 177.584 0.005 0.000 1.182 195 A CA 3.203 55.202 52.037 -0.063 0.000 0.633 195 A CB -0.868 18.095 19.000 -0.061 0.000 0.819 195 A HN -0.342 7.668 8.150 -0.098 0.081 0.448 196 L N -2.502 118.719 121.223 -0.003 0.000 2.056 196 L HA -0.391 3.993 4.340 0.072 0.000 0.207 196 L C 2.368 179.292 176.870 0.090 0.000 1.078 196 L CA 2.744 57.615 54.840 0.051 0.000 0.749 196 L CB -0.280 41.783 42.059 0.006 0.000 0.901 196 L HN -0.670 7.449 8.230 -0.031 0.092 0.433 197 I N -0.609 119.982 120.570 0.035 0.000 2.076 197 I HA -0.583 3.564 4.170 -0.038 0.000 0.237 197 I C 2.092 178.281 176.117 0.121 0.000 1.059 197 I CA 3.306 64.641 61.300 0.058 0.000 1.317 197 I CB -1.000 37.078 38.000 0.130 0.000 1.037 197 I HN -0.305 7.828 8.210 0.011 0.083 0.398 198 V N -2.738 117.239 119.914 0.104 0.000 2.453 198 V HA -0.483 3.819 4.120 0.302 0.000 0.252 198 V C 2.094 178.352 176.094 0.273 0.000 1.068 198 V CA 3.778 66.204 62.300 0.210 0.000 1.070 198 V CB -0.658 31.226 31.823 0.102 0.000 0.664 198 V HN 0.032 8.227 8.190 0.008 0.000 0.461 199 Y N -0.351 119.994 120.300 0.075 0.000 2.293 199 Y HA -0.379 4.222 4.550 0.085 0.000 0.291 199 Y C 1.099 177.026 175.900 0.045 0.000 1.137 199 Y CA 3.094 61.228 58.100 0.057 0.000 1.202 199 Y CB 0.084 38.553 38.460 0.014 0.000 0.990 199 Y HN -0.562 7.764 8.280 0.249 0.103 0.537 200 L N -2.025 119.152 121.223 -0.077 0.000 2.056 200 L HA -0.491 3.670 4.340 -0.299 0.000 0.207 200 L C 1.960 178.816 176.870 -0.023 0.000 1.078 200 L CA 2.889 57.593 54.840 -0.227 0.000 0.749 200 L CB -0.555 41.123 42.059 -0.634 0.000 0.901 200 L HN -0.362 7.750 8.230 0.046 0.145 0.433 201 D N -1.855 118.611 120.400 0.111 0.000 2.149 201 D HA -0.196 4.579 4.640 0.224 0.000 0.201 201 D C 1.820 178.192 176.300 0.120 0.000 0.972 201 D CA 3.273 57.391 54.000 0.196 0.000 0.835 201 D CB 0.162 41.157 40.800 0.325 0.000 0.966 201 D HN -0.526 7.924 8.370 0.134 0.000 0.476 202 L N -0.713 120.546 121.223 0.060 0.000 2.217 202 L HA -0.060 4.257 4.340 -0.038 0.000 0.211 202 L C 1.304 178.127 176.870 -0.079 0.000 1.107 202 L CA 1.983 56.811 54.840 -0.020 0.000 0.783 202 L CB 0.232 42.300 42.059 0.016 0.000 0.919 202 L HN -0.196 8.095 8.230 0.103 0.000 0.442 203 V N -1.522 118.274 119.914 -0.196 0.000 2.535 203 V HA -0.184 3.835 4.120 -0.168 0.000 0.246 203 V C -0.153 175.912 176.094 -0.049 0.000 1.045 203 V CA 1.461 63.624 62.300 -0.228 0.000 1.058 203 V CB 0.638 32.139 31.823 -0.536 0.000 0.689 203 V HN -0.204 7.712 8.190 -0.233 0.134 0.461 207 G N 2.188 110.990 108.800 0.004 0.000 2.511 207 G HA2 -0.275 3.790 3.960 0.176 0.000 0.216 207 G HA3 -0.275 3.862 3.960 0.055 -0.144 0.216 207 G C 0.678 175.614 174.900 0.061 0.000 1.218 207 G CA 2.611 47.759 45.100 0.080 0.000 0.788 207 G HN -0.010 8.150 8.290 -0.028 0.112 0.560 208 F N 1.098 120.999 119.950 -0.082 0.000 2.325 208 F HA -0.044 4.418 4.527 -0.108 0.000 0.299 208 F C 1.606 177.273 175.800 -0.222 0.000 1.090 208 F CA 0.771 58.669 58.000 -0.171 0.000 1.392 208 F CB -0.599 38.221 39.000 -0.299 0.000 1.053 208 F HN -0.518 7.789 8.300 0.011 0.000 0.521 209 G N -0.308 107.902 108.800 -0.983 0.000 2.432 209 G HA2 -0.390 2.838 3.960 -1.220 0.000 0.219 209 G HA3 -0.390 2.826 3.960 -1.240 0.000 0.219 209 G C 1.113 175.842 174.900 -0.285 0.000 1.135 209 G CA 2.039 46.524 45.100 -1.024 0.000 0.767 209 G HN -0.091 7.528 8.290 -1.080 0.023 0.550 210 F N 2.488 122.451 119.950 0.022 0.000 2.128 210 F HA -0.117 4.571 4.527 0.268 0.000 0.295 210 F C 1.643 177.481 175.800 0.062 0.000 1.100 210 F CA 2.306 60.385 58.000 0.132 0.000 1.260 210 F CB 0.255 39.310 39.000 0.091 0.000 1.009 210 F HN -0.441 7.783 8.300 0.067 0.117 0.476 211 I N -1.831 118.874 120.570 0.224 0.000 2.454 211 I HA -0.569 3.679 4.170 0.130 0.000 0.254 211 I C 1.591 177.762 176.117 0.090 0.000 1.156 211 I CA 3.577 64.956 61.300 0.132 0.000 1.433 211 I CB -0.895 37.161 38.000 0.095 0.000 1.082 211 I HN -0.499 7.839 8.210 0.214 0.000 0.432 212 A N 0.404 123.253 122.820 0.048 0.000 1.902 212 A HA -0.256 4.085 4.320 0.035 0.000 0.217 212 A C 1.906 179.493 177.584 0.005 0.000 1.181 212 A CA 3.250 55.284 52.037 -0.005 0.000 0.623 212 A CB -1.101 17.809 19.000 -0.150 0.000 0.818 212 A HN 0.396 8.391 8.150 0.019 0.166 0.443 213 L N -1.834 119.441 121.223 0.088 0.000 2.027 213 L HA -0.423 4.025 4.340 0.180 0.000 0.206 213 L C 1.874 178.830 176.870 0.144 0.000 1.074 213 L CA 2.802 57.749 54.840 0.177 0.000 0.745 213 L CB -0.418 41.823 42.059 0.303 0.000 0.898 213 L HN -0.539 7.646 8.230 0.115 0.114 0.433 214 D N -0.858 119.624 120.400 0.137 0.000 2.092 214 D HA -0.389 4.310 4.640 0.098 0.000 0.193 214 D C 2.019 178.352 176.300 0.055 0.000 0.994 214 D CA 3.827 57.883 54.000 0.094 0.000 0.828 214 D CB 0.356 41.207 40.800 0.084 0.000 0.963 214 D HN -0.589 7.881 8.370 0.166 0.000 0.450 215 A N -0.708 122.136 122.820 0.039 0.000 1.851 215 A HA -0.361 3.962 4.320 0.005 0.000 0.216 215 A C 1.845 179.427 177.584 -0.004 0.000 1.195 215 A CA 3.065 55.107 52.037 0.008 0.000 0.622 215 A CB -0.615 18.383 19.000 -0.003 0.000 0.831 215 A HN -0.330 7.850 8.150 0.050 0.000 0.444 216 A N -2.040 120.778 122.820 -0.003 0.000 1.978 216 A HA -0.341 3.960 4.320 -0.032 0.000 0.220 216 A C 1.691 179.304 177.584 0.048 0.000 1.170 216 A CA 2.795 54.836 52.037 0.006 0.000 0.636 216 A CB -0.589 18.414 19.000 0.006 0.000 0.810 216 A HN -0.372 7.777 8.150 -0.002 0.000 0.448 217 A N -3.450 119.406 122.820 0.060 0.000 1.972 217 A HA -0.318 4.037 4.320 0.058 0.000 0.219 217 A C 1.891 179.476 177.584 0.002 0.000 1.169 217 A CA 2.920 54.986 52.037 0.048 0.000 0.635 217 A CB -0.758 18.279 19.000 0.063 0.000 0.810 217 A HN 0.128 8.199 8.150 0.067 0.120 0.446 218 T N 1.264 115.811 114.554 -0.012 0.000 2.942 218 T HA -0.232 4.091 4.350 -0.045 0.000 0.265 218 T C 1.838 176.481 174.700 -0.096 0.000 1.062 218 T CA 3.913 65.986 62.100 -0.044 0.000 1.139 218 T CB -0.269 68.581 68.868 -0.030 0.000 0.883 218 T HN -0.529 7.587 8.240 0.003 0.126 0.468 219 L N -0.501 120.674 121.223 -0.080 0.000 2.046 219 L HA -0.234 4.190 4.340 -0.123 -0.158 0.208 219 L C 1.319 178.045 176.870 -0.240 0.000 1.077 219 L CA 2.763 57.536 54.840 -0.111 0.000 0.747 219 L CB -0.337 41.697 42.059 -0.042 0.000 0.896 219 L HN -0.444 7.661 8.230 -0.044 0.098 0.432 220 R N -5.843 114.577 120.500 -0.133 0.000 2.200 220 R HA -0.030 4.303 4.340 -0.011 0.000 0.208 220 R C 1.542 177.713 176.300 -0.214 0.000 1.033 220 R CA 1.362 57.401 56.100 -0.103 0.000 1.000 220 R CB 0.316 30.645 30.300 0.049 0.000 0.906 220 R HN -0.568 7.669 8.270 -0.055 0.000 0.462 221 A N 0.431 123.145 122.820 -0.176 0.000 2.119 221 A HA -0.072 4.207 4.320 -0.067 0.000 0.216 221 A C 1.092 178.573 177.584 -0.172 0.000 1.152 221 A CA 1.978 53.943 52.037 -0.120 0.000 0.708 221 A CB -0.803 18.160 19.000 -0.062 0.000 0.805 221 A HN -0.245 7.688 8.150 -0.141 0.132 0.460 222 E N -1.161 118.847 120.200 -0.321 0.000 2.418 222 E HA -0.225 4.047 4.350 -0.129 0.000 0.197 222 E C 0.453 176.947 176.600 -0.177 0.000 1.026 222 E CA 1.068 57.318 56.400 -0.250 0.000 0.862 222 E CB 0.091 29.641 29.700 -0.250 0.000 0.799 222 E HN -0.010 8.054 8.360 -0.423 0.043 0.518 223 H N -6.925 112.149 119.070 0.006 0.000 3.627 223 H HA 0.195 4.754 4.556 0.005 0.000 0.262 223 H C -0.296 175.036 175.328 0.006 0.000 1.166 223 H CA -0.834 55.217 56.048 0.005 0.000 1.122 223 H CB 1.103 30.867 29.762 0.004 0.000 1.787 223 H HN -0.784 7.126 8.280 -0.501 0.069 0.783 224 G N 1.548 110.422 108.800 0.124 0.000 2.460 224 G HA2 -0.430 3.574 3.960 0.059 0.000 0.259 224 G HA3 -0.430 3.580 3.960 0.083 0.000 0.259 224 G C -0.702 174.301 174.900 0.171 0.000 0.959 224 G CA 0.684 45.851 45.100 0.111 0.000 1.330 224 G HN -0.313 7.837 8.290 -0.022 0.128 0.451 225 E N 0.653 120.968 120.200 0.192 0.000 8.064 225 E HA -0.366 4.064 4.350 0.134 0.000 0.466 225 E C -0.623 176.067 176.600 0.150 0.000 0.773 225 E CA 0.736 57.227 56.400 0.150 0.000 1.348 225 E CB 0.165 29.903 29.700 0.063 0.000 0.986 225 E HN -0.089 8.267 8.360 0.149 0.094 0.265 226 S N 0.946 116.685 115.700 0.064 0.000 2.568 226 S HA -0.202 4.093 4.470 -0.290 0.000 0.282 226 S C 0.642 175.182 174.600 -0.099 0.000 1.338 226 S CA 0.735 58.883 58.200 -0.086 0.000 1.045 226 S CB 0.691 63.875 63.200 -0.027 0.000 0.873 226 S HN 0.121 8.481 8.310 0.083 0.000 0.516 227 L N 3.686 124.810 121.223 -0.165 0.000 2.466 227 L HA -0.021 4.276 4.340 -0.072 0.000 0.257 227 L C -0.243 176.590 176.870 -0.062 0.000 1.189 227 L CA -0.093 54.687 54.840 -0.101 0.000 0.813 227 L CB 0.156 42.147 42.059 -0.115 0.000 1.118 227 L HN -0.027 8.045 8.230 -0.263 0.000 0.471 228 A N 1.036 123.831 122.820 -0.041 0.000 2.515 228 A HA 0.278 4.580 4.320 -0.029 0.000 0.299 228 A C -1.174 176.397 177.584 -0.021 0.000 1.179 228 A CA -0.619 51.402 52.037 -0.027 0.000 0.656 228 A CB 1.265 20.254 19.000 -0.019 0.000 1.306 228 A HN -0.038 8.090 8.150 -0.038 0.000 0.459 229 G N -0.861 107.930 108.800 -0.016 0.000 2.606 229 G HA2 0.090 4.042 3.960 -0.014 0.000 0.252 229 G HA3 0.090 4.044 3.960 -0.011 0.000 0.252 229 G C -0.596 174.298 174.900 -0.009 0.000 1.206 229 G CA -0.144 44.948 45.100 -0.012 0.000 0.861 229 G HN 0.070 8.351 8.290 -0.015 0.000 0.561 230 V N -1.702 118.207 119.914 -0.008 0.000 2.823 230 V HA 0.250 4.367 4.120 -0.005 0.000 0.312 230 V C -1.088 175.004 176.094 -0.004 0.000 1.072 230 V CA -0.949 61.348 62.300 -0.005 0.000 0.937 230 V CB 2.493 34.313 31.823 -0.005 0.000 1.013 230 V HN -0.162 8.023 8.190 -0.008 0.000 0.430 231 D N 3.556 123.954 120.400 -0.003 0.000 2.412 231 D HA 0.180 4.819 4.640 -0.003 0.000 0.224 231 D C -0.635 175.664 176.300 -0.001 0.000 1.093 231 D CA 0.138 54.137 54.000 -0.002 0.000 0.850 231 D CB 0.207 41.007 40.800 -0.001 0.000 1.046 231 D HN 0.109 8.478 8.370 -0.002 0.000 0.507 232 T N 4.384 118.937 114.554 -0.002 0.000 3.237 232 T HA 0.153 4.503 4.350 -0.001 0.000 0.319 232 T C -1.257 173.442 174.700 -0.002 0.000 1.037 232 T CA -0.146 61.953 62.100 -0.001 0.000 1.048 232 T CB 1.489 70.356 68.868 -0.001 0.000 1.081 232 T HN 0.079 8.318 8.240 -0.002 0.000 0.455 233 D N 4.463 124.862 120.400 -0.001 0.000 2.168 233 D HA 0.063 4.701 4.640 -0.002 0.000 0.246 233 D C -0.457 175.842 176.300 -0.001 0.000 1.050 233 D CA -0.018 53.981 54.000 -0.002 0.000 0.857 233 D CB 0.989 41.788 40.800 -0.001 0.000 1.169 233 D HN 0.017 8.386 8.370 -0.001 0.000 0.453 234 T N 2.117 116.670 114.554 -0.002 0.000 2.553 234 T HA -0.248 4.100 4.350 -0.003 0.000 0.502 234 T C -1.767 172.932 174.700 -0.002 0.000 0.809 234 T CA 0.088 62.187 62.100 -0.002 0.000 2.657 234 T CB -0.065 68.802 68.868 -0.001 0.000 1.692 234 T HN 0.208 8.446 8.240 -0.003 0.000 0.515 235 P HA -0.091 4.328 4.420 -0.002 0.000 0.272 235 P C -0.707 176.592 177.300 -0.001 0.000 1.254 235 P CA -0.728 62.371 63.100 -0.002 0.000 0.795 235 P CB 0.791 32.489 31.700 -0.004 0.000 1.022 236 A N 1.088 123.908 122.820 -0.001 0.000 2.252 236 A HA 0.167 4.488 4.320 0.002 0.000 0.309 236 A C -0.029 177.555 177.584 -0.000 0.000 1.285 236 A CA -0.706 51.331 52.037 0.001 0.000 0.900 236 A CB 0.234 19.236 19.000 0.003 0.000 1.157 236 A HN -0.053 8.097 8.150 -0.001 0.000 0.536 237 V N 0.424 120.338 119.914 -0.000 0.000 2.732 237 V HA 0.142 4.258 4.120 -0.005 0.000 0.297 237 V C -0.769 175.326 176.094 0.001 0.000 1.060 237 V CA -0.036 62.263 62.300 -0.003 0.000 1.038 237 V CB 0.431 32.250 31.823 -0.006 0.000 1.003 237 V HN 0.147 8.337 8.190 0.001 0.000 0.481 238 A N 6.271 129.091 122.820 -0.001 0.000 1.999 238 A HA 0.154 4.480 4.320 0.010 0.000 0.190 238 A C -0.950 176.636 177.584 0.003 0.000 1.737 238 A CA 0.189 52.229 52.037 0.005 0.000 1.257 238 A CB 0.917 19.920 19.000 0.005 0.000 1.401 238 A HN 0.476 8.623 8.150 -0.006 0.000 0.430 239 D N -2.858 117.538 120.400 -0.007 0.000 2.879 239 D HA 0.058 4.694 4.640 -0.007 0.000 0.236 239 D C -1.106 175.172 176.300 -0.036 0.000 1.171 239 D CA -0.387 53.605 54.000 -0.013 0.000 0.868 239 D CB 2.016 42.812 40.800 -0.006 0.000 1.598 239 D HN -0.518 7.846 8.370 -0.010 0.000 0.497 240 L N 0.371 121.557 121.223 -0.063 0.000 2.824 240 L HA 0.140 4.438 4.340 -0.071 0.000 0.284 240 L C -0.824 175.975 176.870 -0.118 0.000 1.031 240 L CA 1.172 55.949 54.840 -0.104 0.000 1.226 240 L CB 0.988 42.948 42.059 -0.166 0.000 2.283 240 L HN 0.238 8.436 8.230 -0.054 0.000 0.569 241 E N 0.436 120.563 120.200 -0.120 0.000 7.284 241 E HA -0.276 4.089 4.350 0.026 0.000 0.335 241 E C -1.353 175.210 176.600 -0.062 0.000 0.856 241 E CA 0.416 56.792 56.400 -0.040 0.000 1.267 241 E CB 0.001 29.708 29.700 0.012 0.000 0.931 241 E HN -0.116 8.177 8.360 -0.112 0.000 0.275 242 H N 1.679 120.812 119.070 0.105 0.000 2.562 242 H HA 0.097 4.748 4.556 0.158 0.000 0.352 242 H C 0.032 175.483 175.328 0.205 0.000 1.125 242 H CA -0.100 56.039 56.048 0.152 0.000 1.379 242 H CB 1.059 30.904 29.762 0.137 0.000 1.464 242 H HN 0.185 8.607 8.280 0.235 0.000 0.563 243 H N 3.475 122.704 119.070 0.266 0.000 2.750 243 H HA 0.056 4.672 4.556 0.100 0.000 0.263 243 H C -0.510 174.869 175.328 0.085 0.000 0.964 243 H CA -0.028 56.106 56.048 0.144 0.000 1.205 243 H CB 1.279 31.090 29.762 0.083 0.000 1.454 243 H HN 0.225 8.806 8.280 0.501 0.000 0.503 244 H N -1.578 117.562 119.070 0.117 0.000 2.594 244 H HA 0.214 4.761 4.556 -0.016 0.000 0.304 244 H C -0.800 174.589 175.328 0.100 0.000 1.068 244 H CA 0.401 56.481 56.048 0.055 0.000 1.308 244 H CB -0.011 29.781 29.762 0.050 0.000 1.409 244 H HN -0.244 8.366 8.280 0.550 0.000 0.460 245 H N 4.714 123.826 119.070 0.069 0.000 2.627 245 H HA 0.053 4.641 4.556 0.053 0.000 0.211 245 H C -0.918 174.476 175.328 0.109 0.000 0.873 245 H CA 0.423 56.512 56.048 0.068 0.000 0.969 245 H CB 2.074 31.863 29.762 0.045 0.000 1.328 245 H HN 0.483 8.856 8.280 0.155 0.000 0.423 246 H N 1.312 120.468 119.070 0.143 0.000 2.823 246 H HA 0.234 4.815 4.556 0.042 0.000 0.332 246 H C -0.558 174.845 175.328 0.124 0.000 0.980 246 H CA 0.233 56.342 56.048 0.102 0.000 1.286 246 H CB -0.038 29.803 29.762 0.132 0.000 1.541 246 H HN -0.070 8.382 8.280 0.286 0.000 0.521 247 H N 0.000 118.937 119.070 -0.222 0.000 2.539 247 H HA 0.000 4.557 4.556 0.001 0.000 0.296 247 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 247 H CB 0.000 29.763 29.762 0.002 0.000 1.292 247 H HN 0.000 8.127 8.280 -0.255 0.000 0.496