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 1kxl_10_A DATA FIRST_RESID 5 DATA SEQUENCE KMARKDPTIE FCQLGLDTFE TKYITMFGML VSCSFDKPAF ISFVFSDFTK DATA SEQUENCE NDIVQNYLYD RYLIDYENKL ELNEGFKAIM YKNQFETFDS KLRKIFNNGL DATA SEQUENCE RDLQNGRDEN LSQYGIVCKM NIKVKMYNGK LNAIVRECEP VPHSQISSIA DATA SEQUENCE SPSQCEHLRL FYQRAFKRIG ESAISRYFEE YRRFFPI 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 5 K HA 0.000 4.328 4.320 0.014 0.000 0.191 5 K C 0.000 176.606 176.600 0.010 0.000 0.988 5 K CA 0.000 56.294 56.287 0.011 0.000 0.838 5 K CB 0.000 32.504 32.500 0.007 0.000 1.064 6 M N -1.724 117.884 119.600 0.012 0.000 5.282 6 M HA 0.161 4.646 4.480 0.010 0.000 0.638 6 M C -1.294 175.014 176.300 0.013 0.000 2.291 6 M CA -0.182 55.125 55.300 0.010 0.000 0.400 6 M CB 0.099 32.703 32.600 0.007 0.000 1.464 6 M HN -0.551 7.748 8.290 0.015 0.000 0.677 7 A N 1.192 124.023 122.820 0.020 0.000 2.280 7 A HA 0.159 4.487 4.320 0.014 0.000 0.268 7 A C 0.013 177.611 177.584 0.023 0.000 1.111 7 A CA -0.679 51.370 52.037 0.020 0.000 0.814 7 A CB 1.115 20.131 19.000 0.027 0.000 1.093 7 A HN -0.114 8.050 8.150 0.024 0.000 0.498 8 R N -0.033 120.479 120.500 0.019 0.000 2.387 8 R HA -0.082 4.267 4.340 0.016 0.000 0.321 8 R C -0.351 175.971 176.300 0.038 0.000 1.174 8 R CA 0.111 56.223 56.100 0.019 0.000 1.002 8 R CB -1.288 29.017 30.300 0.009 0.000 1.028 8 R HN 0.239 8.518 8.270 0.014 0.000 0.482 9 K N 4.193 124.620 120.400 0.045 0.000 2.127 9 K HA 0.045 4.445 4.320 0.134 0.000 0.240 9 K C -0.784 175.853 176.600 0.061 0.000 1.024 9 K CA -0.706 55.627 56.287 0.078 0.000 0.918 9 K CB 0.746 33.275 32.500 0.049 0.000 1.108 9 K HN -0.299 7.970 8.250 0.031 0.000 0.485 10 D N -1.286 119.163 120.400 0.083 0.000 2.740 10 D HA -0.222 4.452 4.640 0.058 0.000 0.231 10 D C -1.638 174.680 176.300 0.031 0.000 1.194 10 D CA 0.230 54.257 54.000 0.045 0.000 0.673 10 D CB -0.515 40.287 40.800 0.004 0.000 0.995 10 D HN 0.296 8.745 8.370 0.132 0.000 0.411 11 P HA 0.106 4.530 4.420 0.007 0.000 0.312 11 P C -2.057 175.245 177.300 0.004 0.000 1.307 11 P CA -0.097 63.010 63.100 0.012 0.000 0.738 11 P CB 1.776 33.478 31.700 0.004 0.000 1.422 12 T N -3.966 110.583 114.554 -0.009 0.000 3.435 12 T HA 0.093 4.645 4.350 0.006 -0.199 0.344 12 T C -1.167 173.521 174.700 -0.021 0.000 1.211 12 T CA -0.335 61.763 62.100 -0.004 0.000 1.104 12 T CB 1.765 70.636 68.868 0.006 0.000 1.196 12 T HN -0.240 7.989 8.240 -0.017 0.000 0.471 13 I N 0.755 121.322 120.570 -0.004 0.000 3.939 13 I HA 0.641 4.808 4.170 -0.004 0.000 0.268 13 I C -2.394 173.750 176.117 0.045 0.000 1.087 13 I CA -2.332 58.971 61.300 0.005 0.000 1.350 13 I CB 2.743 40.736 38.000 -0.011 0.000 1.285 13 I HN 0.049 8.261 8.210 0.004 0.000 0.417 14 E N -3.654 116.580 120.200 0.058 0.000 2.447 14 E HA 0.168 4.569 4.350 0.085 0.000 0.279 14 E C 0.208 176.885 176.600 0.129 0.000 1.053 14 E CA -1.039 55.422 56.400 0.101 0.000 0.840 14 E CB 2.186 31.974 29.700 0.146 0.000 1.409 14 E HN -0.397 7.936 8.360 0.038 0.049 0.461 15 F N 0.637 120.541 119.950 -0.077 0.000 2.214 15 F HA -0.344 4.077 4.527 -0.176 0.000 0.302 15 F C 0.684 176.456 175.800 -0.047 0.000 1.063 15 F CA 3.724 61.667 58.000 -0.094 0.000 1.319 15 F CB 0.042 39.024 39.000 -0.030 0.000 1.046 15 F HN 0.668 9.143 8.300 0.292 0.000 0.505 16 C N -5.935 113.430 119.300 0.108 0.000 2.799 16 C HA -0.072 4.373 4.460 -0.025 0.000 0.267 16 C C 0.136 175.131 174.990 0.008 0.000 1.257 16 C CA -0.733 58.303 59.018 0.030 0.000 1.702 16 C CB -0.623 27.163 27.740 0.076 0.000 1.934 16 C HN -0.004 8.283 8.230 0.170 0.045 0.594 17 Q N -1.102 118.708 119.800 0.016 0.000 2.141 17 Q HA 0.149 4.487 4.340 -0.003 0.000 0.248 17 Q C 0.562 176.544 176.000 -0.030 0.000 0.834 17 Q CA -0.906 54.899 55.803 0.003 0.000 1.096 17 Q CB 1.130 29.888 28.738 0.034 0.000 1.189 17 Q HN 0.413 8.488 8.270 0.038 0.218 0.471 18 L N -0.581 120.604 121.223 -0.063 0.000 1.924 18 L HA -0.339 3.951 4.340 -0.083 0.000 0.237 18 L C 1.499 178.324 176.870 -0.074 0.000 1.090 18 L CA 3.282 58.070 54.840 -0.087 0.000 0.829 18 L CB -0.028 41.951 42.059 -0.134 0.000 0.903 18 L HN -0.643 7.484 8.230 -0.077 0.057 0.430 19 G N -6.713 102.040 108.800 -0.077 0.000 2.318 19 G HA2 -0.213 3.713 3.960 -0.056 0.000 0.172 19 G HA3 -0.213 3.706 3.960 -0.068 0.000 0.172 19 G C 0.370 175.229 174.900 -0.069 0.000 1.002 19 G CA -0.611 44.449 45.100 -0.067 0.000 0.697 19 G HN -0.040 8.197 8.290 -0.088 0.000 0.483 20 L N -1.277 119.900 121.223 -0.077 0.000 2.309 20 L HA 0.010 4.453 4.340 -0.069 -0.144 0.225 20 L C -0.642 176.201 176.870 -0.045 0.000 1.209 20 L CA 2.014 56.815 54.840 -0.066 0.000 0.822 20 L CB 0.265 42.280 42.059 -0.072 0.000 1.148 20 L HN -0.489 7.689 8.230 -0.088 0.000 0.591 21 D N -4.713 115.670 120.400 -0.029 0.000 4.945 21 D HA 0.117 4.747 4.640 -0.017 0.000 0.344 21 D C -0.966 175.339 176.300 0.008 0.000 1.791 21 D CA 0.089 54.084 54.000 -0.008 0.000 0.995 21 D CB 0.552 41.356 40.800 0.006 0.000 1.534 21 D HN -0.127 8.225 8.370 -0.031 0.000 0.690 22 T N 0.371 114.951 114.554 0.044 0.000 3.252 22 T HA 0.084 4.450 4.350 0.026 0.000 0.233 22 T C 0.022 174.774 174.700 0.086 0.000 0.975 22 T CA 0.995 63.132 62.100 0.062 0.000 1.318 22 T CB 0.851 69.774 68.868 0.091 0.000 1.014 22 T HN -0.183 8.093 8.240 0.059 0.000 0.418 23 F N 0.676 120.617 119.950 -0.016 0.000 2.802 23 F HA -0.122 4.405 4.527 0.000 0.000 0.300 23 F C 0.465 176.257 175.800 -0.014 0.000 1.168 23 F CA 0.757 58.752 58.000 -0.009 0.000 1.433 23 F CB 0.224 39.217 39.000 -0.011 0.000 1.115 23 F HN -0.271 8.205 8.300 0.294 0.000 0.582 24 E N -2.676 117.582 120.200 0.097 0.000 3.108 24 E HA -0.258 4.120 4.350 0.046 0.000 0.359 24 E C -0.267 176.317 176.600 -0.027 0.000 1.488 24 E CA 2.494 58.910 56.400 0.027 0.000 1.861 24 E CB 0.513 30.206 29.700 -0.011 0.000 0.909 24 E HN -0.498 7.919 8.360 0.099 0.002 0.559 25 T N -2.974 111.541 114.554 -0.064 0.000 3.584 25 T HA -0.016 4.423 4.350 -0.070 -0.132 0.386 25 T C -1.815 172.759 174.700 -0.211 0.000 0.910 25 T CA 0.486 62.534 62.100 -0.087 0.000 1.017 25 T CB 0.391 69.232 68.868 -0.045 0.000 1.334 25 T HN 0.046 8.241 8.240 -0.076 0.000 0.430 26 K N 2.906 123.138 120.400 -0.280 0.000 2.428 26 K HA 0.466 4.048 4.320 -1.229 0.000 0.279 26 K C -2.728 173.572 176.600 -0.501 0.000 1.041 26 K CA -1.297 54.579 56.287 -0.684 0.000 0.887 26 K CB 3.308 35.545 32.500 -0.438 0.000 1.535 26 K HN -0.028 8.126 8.250 -0.160 0.000 0.417 27 Y N -3.313 116.967 120.300 -0.033 0.000 2.409 27 Y HA 0.978 5.695 4.550 -0.045 -0.193 0.343 27 Y C -0.445 175.428 175.900 -0.045 0.000 0.973 27 Y CA -1.964 56.111 58.100 -0.041 0.000 1.064 27 Y CB 2.315 40.751 38.460 -0.040 0.000 1.207 27 Y HN -0.050 7.632 8.280 -0.996 0.000 0.452 28 I N -3.559 117.049 120.570 0.063 0.000 3.352 28 I HA 0.555 4.732 4.170 0.012 0.000 0.316 28 I C -1.985 174.122 176.117 -0.016 0.000 1.214 28 I CA -1.776 59.527 61.300 0.005 0.000 0.934 28 I CB 3.900 41.879 38.000 -0.035 0.000 1.310 28 I HN 0.468 8.719 8.210 0.069 0.000 0.475 29 T N 3.279 117.816 114.554 -0.027 0.000 2.881 29 T HA 0.958 5.511 4.350 -0.100 -0.264 0.290 29 T C -1.079 173.601 174.700 -0.033 0.000 1.000 29 T CA -0.538 61.525 62.100 -0.061 0.000 0.978 29 T CB 1.584 70.423 68.868 -0.048 0.000 0.997 29 T HN 0.076 8.307 8.240 -0.015 0.000 0.443 30 M N 4.430 123.972 119.600 -0.097 0.000 2.446 30 M HA 0.350 4.918 4.480 0.148 0.000 0.294 30 M C -1.330 174.913 176.300 -0.095 0.000 1.158 30 M CA -0.671 54.627 55.300 -0.003 0.000 0.899 30 M CB 4.468 37.022 32.600 -0.077 0.000 1.687 30 M HN 0.056 8.238 8.290 -0.179 0.000 0.455 31 F N 1.245 121.080 119.950 -0.191 0.000 2.368 31 F HA 0.571 5.172 4.527 -0.222 -0.208 0.308 31 F C 0.972 176.635 175.800 -0.228 0.000 1.198 31 F CA -1.038 56.826 58.000 -0.227 0.000 1.130 31 F CB 1.797 40.651 39.000 -0.244 0.000 1.300 31 F HN 0.352 8.971 8.300 0.531 0.000 0.537 32 G N -3.706 105.110 108.800 0.028 0.000 2.387 32 G HA2 0.334 4.386 3.960 0.155 0.000 0.294 32 G HA3 0.334 4.494 3.960 0.334 0.000 0.294 32 G C -2.183 172.957 174.900 0.400 0.000 1.509 32 G CA 0.135 45.371 45.100 0.226 0.000 0.806 32 G HN 0.023 8.356 8.290 0.070 0.000 0.546 33 M N -1.680 118.168 119.600 0.413 0.000 2.313 33 M HA 0.317 5.102 4.480 0.304 -0.122 0.273 33 M C -0.433 175.926 176.300 0.098 0.000 1.049 33 M CA -0.461 55.019 55.300 0.299 0.000 1.004 33 M CB 1.197 33.995 32.600 0.331 0.000 1.461 33 M HN 0.330 8.857 8.290 0.395 0.000 0.514 34 L N -2.826 118.345 121.223 -0.086 0.000 0.735 34 L HA -0.470 3.167 4.340 -1.351 -0.107 0.364 34 L C -1.600 175.096 176.870 -0.291 0.000 1.004 34 L CA 0.476 54.940 54.840 -0.627 0.000 1.222 34 L CB 0.127 41.870 42.059 -0.528 0.000 0.325 34 L HN -0.654 7.670 8.230 0.252 0.058 0.197 35 V N 0.638 120.367 119.914 -0.307 0.000 3.455 35 V HA 0.132 4.287 4.120 -0.073 -0.079 0.250 35 V C -0.162 175.859 176.094 -0.122 0.000 1.230 35 V CA 0.776 62.993 62.300 -0.138 0.000 1.105 35 V CB 1.650 33.409 31.823 -0.106 0.000 0.850 35 V HN 1.034 8.835 8.190 -0.461 0.113 0.461 36 S N -3.563 112.043 115.700 -0.157 0.000 2.636 36 S HA 0.489 5.042 4.470 -0.076 -0.128 0.266 36 S C -2.090 172.485 174.600 -0.041 0.000 1.147 36 S CA -0.428 57.722 58.200 -0.084 0.000 0.815 36 S CB 2.887 66.056 63.200 -0.051 0.000 1.119 36 S HN -0.668 7.498 8.310 -0.240 0.000 0.470 37 C N 0.474 119.774 119.300 -0.001 0.000 3.181 37 C HA 0.326 5.022 4.460 0.065 -0.198 0.362 37 C C -2.326 172.653 174.990 -0.018 0.000 1.125 37 C CA -1.158 57.888 59.018 0.046 0.000 1.265 37 C CB 2.098 29.924 27.740 0.143 0.000 1.632 37 C HN 0.507 8.730 8.230 -0.010 0.000 0.525 38 S N 3.795 119.417 115.700 -0.129 0.000 2.526 38 S HA 0.394 4.868 4.470 0.006 0.000 0.293 38 S C -1.090 173.368 174.600 -0.236 0.000 1.092 38 S CA -0.817 57.322 58.200 -0.102 0.000 0.980 38 S CB 2.663 65.797 63.200 -0.110 0.000 1.048 38 S HN 0.423 8.496 8.310 -0.220 0.105 0.483 39 F N 2.108 121.988 119.950 -0.117 0.000 2.684 39 F HA 0.108 4.516 4.527 -0.197 0.000 0.298 39 F C 0.266 175.978 175.800 -0.148 0.000 1.120 39 F CA -0.011 57.901 58.000 -0.147 0.000 1.332 39 F CB 0.883 39.821 39.000 -0.104 0.000 0.986 39 F HN 0.493 8.905 8.300 0.186 0.000 0.524 40 D N -3.480 116.899 120.400 -0.034 0.000 2.277 40 D HA -0.151 4.470 4.640 -0.031 0.000 0.208 40 D C 0.242 176.446 176.300 -0.160 0.000 0.962 40 D CA 0.547 54.505 54.000 -0.070 0.000 0.865 40 D CB -0.240 40.514 40.800 -0.076 0.000 0.939 40 D HN -0.051 8.198 8.370 -0.069 0.080 0.510 41 K N 0.907 121.148 120.400 -0.263 0.000 2.349 41 K HA 0.280 4.357 4.320 -0.406 0.000 0.289 41 K C -0.643 175.701 176.600 -0.428 0.000 1.064 41 K CA -2.370 53.649 56.287 -0.447 0.000 0.947 41 K CB -0.143 31.946 32.500 -0.685 0.000 1.007 41 K HN -0.235 7.827 8.250 -0.265 0.030 0.478 42 P HA 0.009 4.323 4.420 -0.177 0.000 0.225 42 P C -0.213 176.897 177.300 -0.316 0.000 1.156 42 P CA 1.419 64.365 63.100 -0.256 0.000 0.787 42 P CB 0.315 31.902 31.700 -0.189 0.000 0.802 43 A N -3.165 119.340 122.820 -0.526 0.000 2.123 43 A HA -0.002 4.163 4.320 -0.257 0.000 0.214 43 A C -1.479 175.902 177.584 -0.338 0.000 1.152 43 A CA 1.322 53.094 52.037 -0.443 0.000 0.728 43 A CB 0.366 19.080 19.000 -0.476 0.000 0.814 43 A HN 0.091 7.802 8.150 -0.682 0.030 0.464 44 F N -8.254 111.562 119.950 -0.223 0.000 3.394 44 F HA 0.074 4.462 4.527 -0.232 0.000 0.329 44 F C -2.686 172.878 175.800 -0.394 0.000 1.063 44 F CA -1.948 55.892 58.000 -0.266 0.000 0.832 44 F CB 0.202 39.061 39.000 -0.234 0.000 1.530 44 F HN -1.050 6.528 8.300 -0.967 0.142 0.459 45 I N -0.308 120.174 120.570 -0.147 0.000 2.664 45 I HA 0.158 3.930 4.170 -0.663 0.000 0.308 45 I C -0.779 174.969 176.117 -0.615 0.000 0.984 45 I CA -0.553 60.381 61.300 -0.611 0.000 1.213 45 I CB 2.816 40.143 38.000 -1.121 0.000 1.379 45 I HN -0.200 7.966 8.210 -0.074 0.000 0.501 46 S N 2.734 118.017 115.700 -0.695 0.000 2.707 46 S HA 0.735 4.870 4.470 -0.862 -0.182 0.303 46 S C -1.064 173.158 174.600 -0.628 0.000 1.132 46 S CA -1.040 56.751 58.200 -0.682 0.000 1.046 46 S CB 1.342 64.390 63.200 -0.253 0.000 1.004 46 S HN -0.181 7.759 8.310 -0.617 0.000 0.483 47 F N 1.108 120.973 119.950 -0.141 0.000 2.578 47 F HA 0.492 4.952 4.527 -0.206 -0.057 0.311 47 F C -2.008 173.615 175.800 -0.296 0.000 1.094 47 F CA -2.219 55.647 58.000 -0.223 0.000 0.923 47 F CB 2.515 41.366 39.000 -0.249 0.000 1.230 47 F HN 0.061 7.495 8.300 -1.444 0.000 0.450 48 V N -4.628 115.213 119.914 -0.121 0.000 2.532 48 V HA 0.882 5.020 4.120 -0.277 -0.184 0.295 48 V C -1.482 174.297 176.094 -0.525 0.000 1.041 48 V CA -1.675 60.458 62.300 -0.279 0.000 0.926 48 V CB 1.835 33.551 31.823 -0.178 0.000 0.992 48 V HN -0.333 7.791 8.190 -0.110 0.000 0.457 49 F N 4.645 124.131 119.950 -0.773 0.000 2.403 49 F HA 0.396 4.735 4.527 -0.314 0.000 0.326 49 F C -0.706 174.862 175.800 -0.387 0.000 1.099 49 F CA -0.461 57.179 58.000 -0.601 0.000 1.036 49 F CB 3.442 41.929 39.000 -0.854 0.000 1.336 49 F HN 0.384 8.055 8.300 -1.049 0.000 0.497 50 S N -2.931 112.837 115.700 0.113 0.000 2.794 50 S HA 0.166 4.726 4.470 -0.032 -0.109 0.299 50 S C -2.156 172.516 174.600 0.119 0.000 1.179 50 S CA -0.782 57.461 58.200 0.070 0.000 0.838 50 S CB 1.893 65.156 63.200 0.105 0.000 1.206 50 S HN 0.022 8.510 8.310 0.296 0.000 0.523 51 D N -1.534 118.939 120.400 0.122 0.000 2.804 51 D HA 0.090 4.868 4.640 0.231 0.000 0.309 51 D C -1.412 175.077 176.300 0.314 0.000 1.311 51 D CA -0.035 54.077 54.000 0.188 0.000 0.765 51 D CB 3.035 43.856 40.800 0.035 0.000 1.293 51 D HN -0.088 8.348 8.370 0.109 0.000 0.434 52 F N -0.790 119.313 119.950 0.254 0.000 2.656 52 F HA 0.153 4.947 4.527 0.189 -0.154 0.291 52 F C 0.086 175.975 175.800 0.148 0.000 1.122 52 F CA 0.972 59.099 58.000 0.213 0.000 1.427 52 F CB 2.896 42.050 39.000 0.257 0.000 1.125 52 F HN 0.112 8.716 8.300 0.506 0.000 0.583 53 T N -1.302 113.399 114.554 0.245 0.000 2.619 53 T HA -0.162 4.289 4.350 0.168 0.000 0.330 53 T C -0.985 173.771 174.700 0.092 0.000 1.037 53 T CA 0.568 62.766 62.100 0.164 0.000 1.005 53 T CB 1.181 70.181 68.868 0.219 0.000 1.084 53 T HN -0.902 7.523 8.240 0.308 0.000 0.521 54 K N -0.900 119.562 120.400 0.104 0.000 2.675 54 K HA 0.425 5.031 4.320 0.151 -0.195 0.224 54 K C -0.599 176.033 176.600 0.054 0.000 1.003 54 K CA -1.483 54.859 56.287 0.091 0.000 1.034 54 K CB 1.330 33.830 32.500 -0.001 0.000 1.218 54 K HN 0.104 8.412 8.250 0.098 0.000 0.507 55 N N 4.667 123.388 118.700 0.034 0.000 2.381 55 N HA -0.186 4.527 4.740 -0.294 -0.149 0.241 55 N C -0.610 174.777 175.510 -0.205 0.000 1.279 55 N CA 1.258 54.099 53.050 -0.347 0.000 0.896 55 N CB 0.972 38.659 38.487 -1.333 0.000 1.118 55 N HN 0.185 8.776 8.380 0.351 0.000 0.438 56 D N 1.923 122.204 120.400 -0.199 0.000 2.525 56 D HA 0.148 4.739 4.640 -0.081 0.000 0.231 56 D C -0.073 176.159 176.300 -0.114 0.000 1.216 56 D CA -0.318 53.614 54.000 -0.112 0.000 0.813 56 D CB 1.163 41.918 40.800 -0.075 0.000 1.108 56 D HN 0.230 8.458 8.370 -0.238 0.000 0.524 57 I N 0.472 120.939 120.570 -0.172 0.000 3.060 57 I HA -0.136 3.976 4.170 -0.097 0.000 0.285 57 I C 0.510 176.577 176.117 -0.083 0.000 1.190 57 I CA 0.873 62.095 61.300 -0.130 0.000 1.363 57 I CB 0.979 38.870 38.000 -0.182 0.000 1.396 57 I HN -0.112 8.271 8.210 -0.258 -0.328 0.607 58 V N 3.529 123.414 119.914 -0.049 0.000 2.427 58 V HA -0.286 3.830 4.120 -0.007 0.000 0.248 58 V C 0.130 176.230 176.094 0.009 0.000 1.051 58 V CA 1.737 64.029 62.300 -0.014 0.000 1.048 58 V CB 0.379 32.196 31.823 -0.009 0.000 0.666 58 V HN 0.294 8.454 8.190 -0.051 0.000 0.456 59 Q N -3.352 116.448 119.800 -0.001 0.000 1.775 59 Q HA -0.452 3.912 4.340 0.041 0.000 0.455 59 Q C -0.783 175.269 176.000 0.086 0.000 0.887 59 Q CA 2.332 58.160 55.803 0.040 0.000 0.699 59 Q CB 0.191 28.946 28.738 0.029 0.000 4.363 59 Q HN 0.079 8.318 8.270 -0.026 0.016 0.756 60 N N -1.215 117.565 118.700 0.133 0.000 3.427 60 N HA -0.052 4.779 4.740 0.152 0.000 0.364 60 N C -1.556 174.102 175.510 0.246 0.000 1.538 60 N CA -0.440 52.713 53.050 0.170 0.000 0.662 60 N CB 1.086 39.668 38.487 0.158 0.000 1.881 60 N HN 0.049 8.519 8.380 0.150 0.000 0.634 61 Y N -0.462 119.904 120.300 0.110 0.000 2.346 61 Y HA 0.295 4.927 4.550 0.137 0.000 0.332 61 Y C -1.460 174.534 175.900 0.156 0.000 0.985 61 Y CA -0.507 57.671 58.100 0.131 0.000 1.112 61 Y CB 2.070 40.600 38.460 0.116 0.000 1.170 61 Y HN -0.187 8.293 8.280 0.333 0.000 0.447 62 L N 4.837 125.790 121.223 -0.449 0.000 2.440 62 L HA 0.065 4.293 4.340 -0.186 0.000 0.184 62 L C 0.059 176.549 176.870 -0.633 0.000 1.111 62 L CA 0.445 55.059 54.840 -0.376 0.000 0.910 62 L CB 0.467 42.424 42.059 -0.171 0.000 1.455 62 L HN 0.328 8.412 8.230 -0.243 0.000 0.523 63 Y N -3.594 116.450 120.300 -0.426 0.000 2.441 63 Y HA 0.173 4.539 4.550 -0.305 0.000 0.266 63 Y C -0.392 175.447 175.900 -0.102 0.000 1.093 63 Y CA -0.404 57.546 58.100 -0.251 0.000 1.246 63 Y CB 1.139 39.543 38.460 -0.093 0.000 1.262 63 Y HN 0.061 8.318 8.280 -0.038 0.000 0.518 64 D N -0.888 119.519 120.400 0.012 0.000 2.326 64 D HA 0.085 4.757 4.640 0.053 0.000 0.248 64 D C -1.146 175.185 176.300 0.052 0.000 1.001 64 D CA -0.199 53.824 54.000 0.039 0.000 0.961 64 D CB 1.139 41.956 40.800 0.030 0.000 1.183 64 D HN -0.337 8.036 8.370 0.005 0.000 0.502 65 R N -2.965 117.625 120.500 0.151 0.000 2.441 65 R HA 0.097 4.460 4.340 0.038 0.000 0.143 65 R C -1.526 174.756 176.300 -0.031 0.000 0.970 65 R CA 0.462 56.589 56.100 0.046 0.000 0.936 65 R CB -1.053 29.232 30.300 -0.025 0.000 1.202 65 R HN 0.189 8.652 8.270 0.321 0.000 0.699 66 Y N -0.707 119.559 120.300 -0.057 0.000 2.444 66 Y HA 0.195 4.839 4.550 -0.046 -0.122 0.252 66 Y C -0.147 175.789 175.900 0.060 0.000 1.091 66 Y CA 0.161 58.221 58.100 -0.066 0.000 1.276 66 Y CB 1.410 39.696 38.460 -0.291 0.000 1.170 66 Y HN -0.109 8.338 8.280 0.278 0.000 0.517 67 L N -3.674 117.676 121.223 0.211 0.000 1.697 67 L HA -0.471 3.975 4.340 0.177 0.000 0.351 67 L C 0.908 177.966 176.870 0.313 0.000 1.100 67 L CA 0.263 55.230 54.840 0.212 0.000 1.229 67 L CB 0.298 42.458 42.059 0.169 0.000 0.585 67 L HN -0.543 7.794 8.230 0.179 0.000 0.258 68 I N -2.426 118.306 120.570 0.270 0.000 2.044 68 I HA -0.387 3.946 4.170 0.271 0.000 0.234 68 I C 0.818 177.155 176.117 0.367 0.000 1.031 68 I CA 2.384 63.861 61.300 0.296 0.000 1.305 68 I CB 0.375 38.533 38.000 0.263 0.000 1.026 68 I HN 0.191 8.537 8.210 0.227 0.000 0.392 69 D N -2.139 118.446 120.400 0.308 0.000 2.443 69 D HA -0.145 4.618 4.640 0.206 0.000 0.239 69 D C -0.657 175.958 176.300 0.525 0.000 1.136 69 D CA 1.392 55.568 54.000 0.293 0.000 0.879 69 D CB 0.542 41.464 40.800 0.202 0.000 1.195 69 D HN -0.227 8.299 8.370 0.261 0.000 0.443 70 Y N -0.941 119.469 120.300 0.184 0.000 2.537 70 Y HA 0.023 4.804 4.550 0.384 0.000 0.303 70 Y C 0.289 176.306 175.900 0.195 0.000 1.176 70 Y CA -1.151 57.106 58.100 0.261 0.000 1.273 70 Y CB -0.704 37.885 38.460 0.215 0.000 1.110 70 Y HN 0.297 8.800 8.280 0.371 0.000 0.518 71 E N -0.652 119.708 120.200 0.266 0.000 2.182 71 E HA -0.141 4.286 4.350 0.129 0.000 0.195 71 E C -0.235 176.390 176.600 0.041 0.000 0.933 71 E CA 0.279 56.758 56.400 0.132 0.000 0.940 71 E CB 0.478 30.249 29.700 0.118 0.000 0.945 71 E HN 0.027 8.435 8.360 0.277 0.118 0.477 72 N N -0.488 118.241 118.700 0.049 0.000 2.263 72 N HA -0.006 4.725 4.740 -0.016 0.000 0.239 72 N C -1.711 173.753 175.510 -0.077 0.000 1.317 72 N CA -0.041 53.009 53.050 -0.001 0.000 0.909 72 N CB 0.802 39.312 38.487 0.038 0.000 1.171 72 N HN 0.068 8.503 8.380 0.093 0.000 0.492 73 K N -3.476 116.870 120.400 -0.090 0.000 2.464 73 K HA 0.335 4.713 4.320 -0.224 -0.192 0.253 73 K C -1.518 175.048 176.600 -0.057 0.000 0.933 73 K CA -1.954 54.240 56.287 -0.154 0.000 0.801 73 K CB 3.002 35.374 32.500 -0.213 0.000 1.271 73 K HN -0.136 8.083 8.250 -0.052 0.000 0.430 74 L N 4.289 125.492 121.223 -0.032 0.000 2.325 74 L HA 0.080 4.437 4.340 0.028 0.000 0.284 74 L C -0.040 176.841 176.870 0.019 0.000 1.089 74 L CA -0.120 54.730 54.840 0.016 0.000 0.836 74 L CB 0.099 42.181 42.059 0.038 0.000 1.184 74 L HN 0.025 8.079 8.230 -0.052 0.144 0.444 75 E N 5.749 125.967 120.200 0.029 0.000 2.533 75 E HA -0.263 4.110 4.350 0.040 0.000 0.269 75 E C 0.866 177.522 176.600 0.093 0.000 1.234 75 E CA 1.482 57.913 56.400 0.052 0.000 1.086 75 E CB 0.801 30.532 29.700 0.053 0.000 1.016 75 E HN 0.038 8.516 8.360 0.021 -0.106 0.479 76 L N -1.634 119.664 121.223 0.124 0.000 2.554 76 L HA -0.049 4.382 4.340 0.150 0.000 0.225 76 L C -0.615 176.422 176.870 0.278 0.000 1.104 76 L CA 0.795 55.739 54.840 0.174 0.000 0.866 76 L CB 0.356 42.520 42.059 0.175 0.000 1.047 76 L HN 0.052 8.347 8.230 0.109 0.000 0.468 77 N N -3.076 115.779 118.700 0.258 0.000 2.376 77 N HA 0.046 5.004 4.740 0.363 0.000 0.249 77 N C -0.564 175.304 175.510 0.598 0.000 1.140 77 N CA 0.244 53.505 53.050 0.352 0.000 0.870 77 N CB -0.488 38.081 38.487 0.137 0.000 1.124 77 N HN -0.042 8.400 8.380 0.176 0.043 0.505 78 E N -1.836 118.656 120.200 0.486 0.000 2.502 78 E HA 0.234 4.741 4.350 0.261 0.000 0.206 78 E C -0.654 175.713 176.600 -0.388 0.000 0.821 78 E CA -0.148 56.335 56.400 0.137 0.000 1.354 78 E CB 3.093 32.845 29.700 0.086 0.000 1.336 78 E HN -0.329 8.184 8.360 0.411 0.094 0.675 79 G N -1.995 106.702 108.800 -0.173 0.000 2.788 79 G HA2 0.511 4.355 3.960 -0.206 0.000 0.293 79 G HA3 0.511 4.498 3.960 -0.069 -0.068 0.293 79 G C -2.344 172.672 174.900 0.194 0.000 1.305 79 G CA -0.853 44.158 45.100 -0.148 0.000 1.005 79 G HN -0.584 7.766 8.290 0.101 0.000 0.496 80 F N -8.020 111.919 119.950 -0.018 0.000 2.741 80 F HA 0.419 5.088 4.527 0.236 0.000 0.311 80 F C -2.555 173.345 175.800 0.166 0.000 1.149 80 F CA -2.438 55.681 58.000 0.199 0.000 0.930 80 F CB 1.691 40.928 39.000 0.395 0.000 1.312 80 F HN -0.326 7.649 8.300 -0.514 0.017 0.450 81 K N 0.759 121.257 120.400 0.164 0.000 2.143 81 K HA 0.013 4.292 4.320 -0.068 0.000 0.272 81 K C -1.763 174.914 176.600 0.129 0.000 1.001 81 K CA -0.561 55.748 56.287 0.037 0.000 0.915 81 K CB 1.787 34.304 32.500 0.029 0.000 1.047 81 K HN 0.344 8.766 8.250 0.286 0.000 0.458 82 A N 3.374 126.230 122.820 0.060 0.000 2.594 82 A HA 0.874 5.408 4.320 0.102 -0.153 0.291 82 A C -2.316 175.163 177.584 -0.175 0.000 1.105 82 A CA -1.796 50.298 52.037 0.096 0.000 0.694 82 A CB 3.576 22.782 19.000 0.344 0.000 1.291 82 A HN -0.137 8.006 8.150 -0.012 0.000 0.410 83 I N -6.291 114.139 120.570 -0.233 0.000 2.865 83 I HA 1.024 4.951 4.170 -0.688 -0.170 0.302 83 I C -2.144 173.780 176.117 -0.322 0.000 1.140 83 I CA -1.793 59.187 61.300 -0.533 0.000 1.021 83 I CB 4.488 41.919 38.000 -0.949 0.000 1.233 83 I HN -0.001 8.133 8.210 -0.126 0.000 0.427 84 M N 1.587 121.063 119.600 -0.207 0.000 2.644 84 M HA 0.360 4.883 4.480 0.072 0.000 0.273 84 M C -2.021 174.434 176.300 0.258 0.000 1.253 84 M CA -0.559 54.805 55.300 0.106 0.000 0.852 84 M CB 4.453 37.236 32.600 0.305 0.000 1.708 84 M HN -0.462 7.657 8.290 -0.284 0.000 0.471 85 Y N 0.178 120.532 120.300 0.090 0.000 2.717 85 Y HA -0.122 4.520 4.550 0.153 0.000 0.330 85 Y C 1.568 177.611 175.900 0.237 0.000 1.217 85 Y CA 1.006 59.195 58.100 0.148 0.000 1.506 85 Y CB -0.480 38.048 38.460 0.113 0.000 1.268 85 Y HN 0.430 9.042 8.280 0.554 0.000 0.561 86 K N 6.199 126.755 120.400 0.259 0.000 2.020 86 K HA -0.541 3.980 4.320 0.335 0.000 0.212 86 K C 1.556 178.413 176.600 0.429 0.000 1.050 86 K CA 5.073 61.552 56.287 0.320 0.000 0.929 86 K CB -0.252 32.355 32.500 0.177 0.000 0.714 86 K HN 0.750 9.067 8.250 0.112 0.000 0.443 87 N N -2.138 116.753 118.700 0.317 0.000 2.091 87 N HA -0.404 4.477 4.740 0.235 0.000 0.193 87 N C 1.977 177.655 175.510 0.280 0.000 1.021 87 N CA 3.300 56.511 53.050 0.268 0.000 0.862 87 N CB -1.443 37.181 38.487 0.230 0.000 1.018 87 N HN 0.168 8.706 8.380 0.264 0.000 0.429 88 Q N -1.061 118.937 119.800 0.330 0.000 2.167 88 Q HA -0.181 4.283 4.340 0.206 0.000 0.202 88 Q C 2.422 178.653 176.000 0.385 0.000 0.970 88 Q CA 2.907 58.883 55.803 0.288 0.000 0.855 88 Q CB -0.728 28.171 28.738 0.268 0.000 0.911 88 Q HN 0.217 8.642 8.270 0.390 0.079 0.438 89 F N 1.692 121.837 119.950 0.326 0.000 2.234 89 F HA -0.160 4.763 4.527 0.660 0.000 0.296 89 F C 1.308 177.259 175.800 0.252 0.000 1.089 89 F CA 2.953 61.208 58.000 0.425 0.000 1.343 89 F CB 0.579 39.819 39.000 0.400 0.000 1.040 89 F HN 0.437 8.853 8.300 0.599 0.244 0.498 90 E N 0.001 120.272 120.200 0.118 0.000 2.028 90 E HA -0.370 3.796 4.350 -0.308 0.000 0.191 90 E C 2.544 179.061 176.600 -0.139 0.000 0.988 90 E CA 3.586 59.936 56.400 -0.084 0.000 0.799 90 E CB -0.371 29.422 29.700 0.156 0.000 0.755 90 E HN 0.864 9.273 8.360 0.420 0.203 0.447 91 T N 2.461 117.020 114.554 0.008 0.000 2.652 91 T HA -0.397 3.949 4.350 -0.007 0.000 0.267 91 T C 1.760 176.455 174.700 -0.008 0.000 1.039 91 T CA 4.683 66.792 62.100 0.014 0.000 1.153 91 T CB -0.111 68.804 68.868 0.078 0.000 0.863 91 T HN 0.204 8.501 8.240 0.095 0.000 0.428 92 F N 2.397 122.294 119.950 -0.088 0.000 2.069 92 F HA -0.338 4.146 4.527 -0.072 0.000 0.298 92 F C 1.422 177.123 175.800 -0.165 0.000 1.113 92 F CA 2.206 60.142 58.000 -0.107 0.000 1.214 92 F CB -0.479 38.468 39.000 -0.088 0.000 0.978 92 F HN -0.439 7.989 8.300 0.214 0.000 0.474 93 D N -0.900 118.733 120.400 -1.278 0.000 2.117 93 D HA -0.389 3.339 4.640 -1.520 0.000 0.198 93 D C 2.227 178.198 176.300 -0.549 0.000 0.982 93 D CA 4.231 57.495 54.000 -1.227 0.000 0.828 93 D CB 0.006 40.056 40.800 -1.251 0.000 0.967 93 D HN -0.150 7.602 8.370 -1.030 0.000 0.464 94 S N 0.702 116.183 115.700 -0.365 0.000 2.368 94 S HA -0.479 3.893 4.470 -0.163 0.000 0.226 94 S C 2.100 176.623 174.600 -0.129 0.000 1.044 94 S CA 3.909 61.999 58.200 -0.183 0.000 1.062 94 S CB 0.055 63.188 63.200 -0.111 0.000 0.931 94 S HN 0.463 8.425 8.310 -0.382 0.119 0.440 95 K N 0.040 120.377 120.400 -0.105 0.000 2.152 95 K HA -0.260 4.043 4.320 -0.029 0.000 0.206 95 K C 2.980 179.551 176.600 -0.048 0.000 1.048 95 K CA 2.593 58.852 56.287 -0.046 0.000 0.933 95 K CB -0.233 32.264 32.500 -0.005 0.000 0.721 95 K HN -0.715 7.468 8.250 -0.111 0.000 0.447 96 L N -0.451 120.702 121.223 -0.116 0.000 2.072 96 L HA -0.111 4.232 4.340 0.005 0.000 0.205 96 L C 1.274 178.130 176.870 -0.023 0.000 1.079 96 L CA 2.813 57.608 54.840 -0.076 0.000 0.752 96 L CB -0.460 41.456 42.059 -0.238 0.000 0.906 96 L HN -0.720 7.249 8.230 -0.212 0.134 0.436 97 R N -1.980 118.472 120.500 -0.079 0.000 2.226 97 R HA -0.349 4.189 4.340 0.028 -0.181 0.246 97 R C 1.112 177.436 176.300 0.040 0.000 1.161 97 R CA 2.860 58.954 56.100 -0.009 0.000 0.997 97 R CB -0.572 29.697 30.300 -0.052 0.000 0.870 97 R HN 0.626 8.599 8.270 -0.164 0.199 0.465 98 K N -3.723 116.686 120.400 0.016 0.000 2.366 98 K HA -0.135 4.195 4.320 0.017 0.000 0.198 98 K C 1.496 178.110 176.600 0.023 0.000 1.044 98 K CA 0.912 57.209 56.287 0.018 0.000 0.973 98 K CB -0.290 32.213 32.500 0.005 0.000 0.767 98 K HN -0.871 7.220 8.250 -0.008 0.155 0.475 99 I N -2.614 117.985 120.570 0.049 0.000 3.030 99 I HA -0.243 3.914 4.170 -0.023 0.000 0.270 99 I C 0.117 176.199 176.117 -0.059 0.000 1.211 99 I CA 2.497 63.806 61.300 0.015 0.000 1.479 99 I CB 0.459 38.505 38.000 0.076 0.000 1.105 99 I HN 0.299 8.345 8.210 0.066 0.204 0.447 100 F N -1.231 118.722 119.950 0.006 0.000 2.009 100 F HA -0.001 4.538 4.527 0.020 0.000 0.228 100 F C -0.242 175.568 175.800 0.017 0.000 1.168 100 F CA 1.686 59.700 58.000 0.024 0.000 1.286 100 F CB 2.155 41.190 39.000 0.059 0.000 1.725 100 F HN -0.689 7.588 8.300 0.219 0.155 0.418 101 N N -4.588 114.281 118.700 0.282 0.000 2.408 101 N HA -0.062 4.735 4.740 0.095 0.000 0.332 101 N C -1.980 173.580 175.510 0.084 0.000 0.852 101 N CA 0.392 53.527 53.050 0.143 0.000 0.870 101 N CB 0.908 39.495 38.487 0.167 0.000 2.360 101 N HN -0.054 8.516 8.380 0.317 0.000 1.062 102 N N -1.964 116.781 118.700 0.075 0.000 3.343 102 N HA 0.168 4.906 4.740 -0.004 0.000 0.330 102 N C -1.538 173.940 175.510 -0.053 0.000 1.560 102 N CA -0.830 52.221 53.050 0.002 0.000 0.752 102 N CB 2.587 41.074 38.487 -0.001 0.000 1.863 102 N HN -0.509 7.947 8.380 0.127 0.000 0.636 103 G N -3.157 105.600 108.800 -0.071 0.000 2.491 103 G HA2 0.518 4.351 3.960 -0.210 0.000 0.327 103 G HA3 0.518 4.413 3.960 -0.109 0.000 0.327 103 G C 0.791 175.658 174.900 -0.055 0.000 1.189 103 G CA -1.812 43.215 45.100 -0.121 0.000 0.956 103 G HN -0.075 8.189 8.290 -0.044 0.000 0.491 104 L N 0.695 121.892 121.223 -0.042 0.000 2.211 104 L HA -0.430 3.837 4.340 -0.122 0.000 0.216 104 L C 1.842 178.824 176.870 0.186 0.000 1.092 104 L CA 3.651 58.518 54.840 0.045 0.000 0.767 104 L CB -0.399 41.780 42.059 0.200 0.000 0.894 104 L HN 0.908 9.518 8.230 -0.171 -0.483 0.437 105 R N -3.077 117.630 120.500 0.345 0.000 2.115 105 R HA -0.305 4.290 4.340 0.425 0.000 0.230 105 R C 1.725 178.030 176.300 0.008 0.000 1.111 105 R CA 2.106 58.349 56.100 0.237 0.000 0.976 105 R CB -1.468 28.851 30.300 0.032 0.000 0.870 105 R HN -0.090 8.363 8.270 0.391 0.052 0.445 106 D N -1.221 119.166 120.400 -0.021 0.000 2.234 106 D HA -0.034 4.573 4.640 -0.055 0.000 0.205 106 D C 1.390 177.639 176.300 -0.085 0.000 0.962 106 D CA 2.473 56.441 54.000 -0.053 0.000 0.855 106 D CB 0.043 40.818 40.800 -0.042 0.000 0.951 106 D HN 0.170 8.399 8.370 -0.000 0.140 0.500 107 L N -2.836 118.296 121.223 -0.151 0.000 2.141 107 L HA -0.262 3.862 4.340 -0.359 0.000 0.209 107 L C 1.397 178.147 176.870 -0.199 0.000 1.094 107 L CA 2.618 57.274 54.840 -0.307 0.000 0.763 107 L CB -0.177 41.598 42.059 -0.472 0.000 0.908 107 L HN -0.742 7.284 8.230 -0.124 0.129 0.437 108 Q N -5.013 114.730 119.800 -0.094 0.000 2.269 108 Q HA -0.170 4.135 4.340 -0.060 0.000 0.201 108 Q C 0.116 176.100 176.000 -0.028 0.000 0.946 108 Q CA 0.999 56.776 55.803 -0.043 0.000 0.877 108 Q CB 0.667 29.417 28.738 0.020 0.000 0.963 108 Q HN -0.718 7.497 8.270 -0.057 0.021 0.472 109 N N -3.778 114.902 118.700 -0.033 0.000 2.778 109 N HA -0.354 4.369 4.740 -0.029 0.000 0.249 109 N C -0.329 175.168 175.510 -0.021 0.000 1.069 109 N CA 1.498 54.534 53.050 -0.023 0.000 0.831 109 N CB -0.689 37.794 38.487 -0.006 0.000 1.142 109 N HN -0.446 7.773 8.380 -0.044 0.135 0.573 110 G N -3.849 104.940 108.800 -0.018 0.000 3.131 110 G HA2 -0.334 3.611 3.960 -0.026 0.000 0.198 110 G HA3 -0.334 3.617 3.960 -0.015 0.000 0.198 110 G C -1.245 173.659 174.900 0.006 0.000 1.435 110 G CA 0.403 45.494 45.100 -0.014 0.000 1.016 110 G HN 0.318 8.520 8.290 -0.013 0.080 0.499 111 R N 1.072 121.575 120.500 0.006 0.000 2.271 111 R HA 0.283 4.634 4.340 0.017 0.000 0.117 111 R C -0.253 176.052 176.300 0.008 0.000 1.644 111 R CA -0.579 55.528 56.100 0.011 0.000 1.414 111 R CB 0.628 30.933 30.300 0.008 0.000 1.196 111 R HN -0.541 7.731 8.270 0.003 0.000 0.447 112 D N -1.438 118.966 120.400 0.008 0.000 4.241 112 D HA -0.421 4.234 4.640 0.026 0.000 0.223 112 D C 0.938 177.236 176.300 -0.003 0.000 1.238 112 D CA 3.556 57.562 54.000 0.011 0.000 2.331 112 D CB -0.460 40.342 40.800 0.003 0.000 1.209 112 D HN 0.250 8.626 8.370 0.010 0.000 0.407 113 E N -5.155 115.042 120.200 -0.006 0.000 4.724 113 E HA -0.558 3.792 4.350 -0.001 0.000 0.169 113 E C -0.471 176.117 176.600 -0.019 0.000 1.223 113 E CA 2.561 58.956 56.400 -0.009 0.000 2.386 113 E CB -1.402 28.291 29.700 -0.011 0.000 1.790 113 E HN 0.682 8.974 8.360 -0.003 0.067 0.449 114 N N 1.911 120.604 118.700 -0.012 0.000 2.434 114 N HA -0.226 4.520 4.740 0.010 0.000 0.268 114 N C -0.578 174.924 175.510 -0.013 0.000 1.256 114 N CA 1.263 54.322 53.050 0.014 0.000 0.914 114 N CB 0.090 38.625 38.487 0.079 0.000 1.088 114 N HN 0.100 8.381 8.380 -0.012 0.092 0.478 115 L N 3.687 124.884 121.223 -0.043 0.000 2.511 115 L HA 0.292 4.531 4.340 -0.167 0.000 0.252 115 L C -1.463 175.356 176.870 -0.084 0.000 1.542 115 L CA 0.597 55.364 54.840 -0.122 0.000 0.822 115 L CB 1.518 43.477 42.059 -0.167 0.000 1.050 115 L HN 0.256 8.469 8.230 -0.027 0.000 0.516 116 S N -1.396 114.300 115.700 -0.008 0.000 3.082 116 S HA 0.240 4.849 4.470 0.038 -0.116 0.253 116 S C -0.442 174.211 174.600 0.088 0.000 0.961 116 S CA -0.541 57.690 58.200 0.052 0.000 1.129 116 S CB -0.447 62.803 63.200 0.084 0.000 1.083 116 S HN -0.148 8.172 8.310 0.016 0.000 0.605 117 Q N -1.340 118.479 119.800 0.031 0.000 2.139 117 Q HA 0.080 4.431 4.340 0.019 0.000 0.219 117 Q C -1.160 174.744 176.000 -0.160 0.000 0.805 117 Q CA 0.740 56.471 55.803 -0.119 0.000 1.024 117 Q CB -0.267 28.227 28.738 -0.408 0.000 1.163 117 Q HN -0.193 8.093 8.270 0.026 0.000 0.485 118 Y N 1.162 121.321 120.300 -0.235 0.000 2.284 118 Y HA 0.000 4.505 4.550 -0.075 0.000 0.293 118 Y C -0.244 175.614 175.900 -0.069 0.000 1.140 118 Y CA 1.518 59.543 58.100 -0.125 0.000 1.153 118 Y CB 1.509 39.793 38.460 -0.293 0.000 1.114 118 Y HN -0.523 7.803 8.280 0.170 0.056 0.521 119 G N -2.936 105.924 108.800 0.100 0.000 2.462 119 G HA2 -0.234 3.715 3.960 -0.017 0.000 0.124 119 G HA3 -0.234 3.594 3.960 -0.219 0.000 0.124 119 G C -0.307 174.701 174.900 0.180 0.000 1.062 119 G CA -0.544 44.549 45.100 -0.011 0.000 0.764 119 G HN -0.049 8.327 8.290 0.143 0.000 0.485 120 I N 2.455 123.140 120.570 0.192 0.000 2.261 120 I HA 0.108 4.429 4.170 0.252 0.000 0.285 120 I C -0.436 175.813 176.117 0.221 0.000 1.113 120 I CA -0.924 60.497 61.300 0.201 0.000 1.377 120 I CB -0.821 37.237 38.000 0.097 0.000 1.530 120 I HN 0.010 8.309 8.210 0.149 0.000 0.607 121 V N 3.305 123.357 119.914 0.230 0.000 2.655 121 V HA 0.494 4.938 4.120 0.320 -0.132 0.300 121 V C -0.433 175.791 176.094 0.217 0.000 1.044 121 V CA 0.122 62.592 62.300 0.284 0.000 1.095 121 V CB 0.537 32.578 31.823 0.364 0.000 0.952 121 V HN -0.347 7.903 8.190 0.183 0.050 0.485 122 C N 3.373 122.766 119.300 0.154 0.000 3.285 122 C HA 0.789 5.373 4.460 -0.004 -0.127 0.325 122 C C -2.207 172.567 174.990 -0.359 0.000 1.304 122 C CA -2.617 56.384 59.018 -0.027 0.000 1.319 122 C CB 4.047 31.819 27.740 0.053 0.000 1.640 122 C HN 0.975 9.207 8.230 0.173 0.103 0.477 123 K N -0.949 119.081 120.400 -0.617 0.000 2.221 123 K HA 0.569 4.335 4.320 -1.168 -0.146 0.243 123 K C -1.189 175.025 176.600 -0.642 0.000 0.968 123 K CA -1.593 54.080 56.287 -1.025 0.000 0.846 123 K CB 2.869 34.475 32.500 -1.490 0.000 1.141 123 K HN 0.598 8.488 8.250 -0.442 0.095 0.434 124 M N -4.775 114.496 119.600 -0.548 0.000 2.603 124 M HA 0.208 4.484 4.480 -0.356 -0.010 0.275 124 M C -2.858 173.290 176.300 -0.253 0.000 1.226 124 M CA -0.292 54.777 55.300 -0.386 0.000 0.870 124 M CB 4.209 36.546 32.600 -0.438 0.000 1.716 124 M HN -0.168 7.784 8.290 -0.562 0.000 0.482 125 N N 1.662 120.256 118.700 -0.177 0.000 2.419 125 N HA 0.713 5.583 4.740 -0.093 -0.186 0.277 125 N C -1.381 174.091 175.510 -0.064 0.000 1.006 125 N CA -0.322 52.666 53.050 -0.102 0.000 0.923 125 N CB 2.654 41.089 38.487 -0.087 0.000 1.140 125 N HN -0.034 8.316 8.380 -0.181 -0.079 0.488 126 I N 3.008 123.561 120.570 -0.029 0.000 2.433 126 I HA 0.604 4.919 4.170 0.002 -0.143 0.292 126 I C -1.245 174.897 176.117 0.041 0.000 1.001 126 I CA -1.558 59.744 61.300 0.003 0.000 1.119 126 I CB 2.224 40.225 38.000 0.001 0.000 1.289 126 I HN 1.297 9.366 8.210 -0.028 0.124 0.438 127 K N 8.194 128.619 120.400 0.042 0.000 2.266 127 K HA 0.284 4.716 4.320 0.187 0.000 0.274 127 K C -1.273 175.362 176.600 0.058 0.000 1.090 127 K CA -0.613 55.727 56.287 0.089 0.000 0.925 127 K CB 0.530 33.053 32.500 0.037 0.000 1.225 127 K HN 0.894 9.055 8.250 0.018 0.100 0.458 128 V N 5.835 125.781 119.914 0.052 0.000 2.994 128 V HA 1.216 5.653 4.120 0.015 -0.308 0.318 128 V C -1.744 174.350 176.094 0.000 0.000 1.085 128 V CA -3.197 59.111 62.300 0.013 0.000 0.998 128 V CB 3.546 35.362 31.823 -0.011 0.000 1.063 128 V HN 0.170 8.401 8.190 0.069 0.000 0.447 129 K N -0.164 120.232 120.400 -0.007 0.000 2.658 129 K HA 0.254 4.554 4.320 -0.034 0.000 0.293 129 K C -1.768 174.831 176.600 -0.001 0.000 1.026 129 K CA -0.272 56.005 56.287 -0.017 0.000 0.871 129 K CB 4.417 36.908 32.500 -0.015 0.000 1.524 129 K HN 0.951 9.509 8.250 -0.000 -0.308 0.400 130 M N -0.962 118.630 119.600 -0.013 0.000 2.649 130 M HA 1.005 5.812 4.480 0.038 -0.304 0.294 130 M C -0.043 176.316 176.300 0.098 0.000 1.206 130 M CA -0.438 54.872 55.300 0.017 0.000 0.928 130 M CB 2.754 35.335 32.600 -0.033 0.000 1.571 130 M HN 0.521 8.784 8.290 -0.046 0.000 0.501 131 Y N 0.166 120.420 120.300 -0.077 0.000 2.610 131 Y HA -0.144 4.344 4.550 -0.103 0.000 0.110 131 Y C -0.841 175.032 175.900 -0.045 0.000 0.999 131 Y CA 1.685 59.740 58.100 -0.074 0.000 1.811 131 Y CB -0.310 38.116 38.460 -0.057 0.000 1.175 131 Y HN 0.356 8.666 8.280 0.050 0.000 0.211 132 N N 2.586 120.987 118.700 -0.499 0.000 2.515 132 N HA -0.108 4.144 4.740 -0.814 0.000 0.185 132 N C 0.493 175.879 175.510 -0.207 0.000 1.109 132 N CA 0.793 53.535 53.050 -0.513 0.000 0.903 132 N CB -0.079 38.318 38.487 -0.150 0.000 0.969 132 N HN 0.031 8.514 8.380 0.172 0.000 0.450 133 G N -3.894 104.839 108.800 -0.113 0.000 2.273 133 G HA2 -0.189 3.733 3.960 -0.063 0.000 0.162 133 G HA3 -0.189 3.734 3.960 -0.062 0.000 0.162 133 G C -1.475 173.412 174.900 -0.021 0.000 1.006 133 G CA -0.221 44.842 45.100 -0.062 0.000 0.704 133 G HN 0.087 8.269 8.290 -0.082 0.059 0.487 134 K N -3.113 117.290 120.400 0.004 0.000 1.956 134 K HA 0.245 4.563 4.320 -0.003 0.000 0.245 134 K C -2.430 174.183 176.600 0.022 0.000 1.015 134 K CA -1.470 54.825 56.287 0.013 0.000 0.864 134 K CB 1.461 33.982 32.500 0.034 0.000 1.570 134 K HN -0.687 7.574 8.250 0.017 0.000 0.577 135 L N -1.716 119.517 121.223 0.018 0.000 2.385 135 L HA 0.933 5.535 4.340 0.019 -0.251 0.273 135 L C -1.238 175.654 176.870 0.036 0.000 0.990 135 L CA -2.015 52.833 54.840 0.013 0.000 0.821 135 L CB 2.652 44.695 42.059 -0.026 0.000 1.279 135 L HN -0.001 8.238 8.230 0.015 0.000 0.412 136 N N 1.955 120.678 118.700 0.038 0.000 2.455 136 N HA 0.022 4.801 4.740 0.065 0.000 0.280 136 N C -1.635 173.901 175.510 0.044 0.000 1.055 136 N CA -1.366 51.710 53.050 0.044 0.000 0.961 136 N CB 1.414 39.911 38.487 0.017 0.000 1.121 136 N HN 0.416 8.814 8.380 0.031 0.000 0.476 137 A N 1.969 124.840 122.820 0.084 0.000 2.316 137 A HA 0.261 4.616 4.320 0.059 0.000 0.324 137 A C -2.401 175.249 177.584 0.109 0.000 1.375 137 A CA -1.270 50.831 52.037 0.107 0.000 0.882 137 A CB 1.041 20.163 19.000 0.203 0.000 1.152 137 A HN 0.495 8.711 8.150 0.110 0.000 0.512 138 I N 5.834 126.432 120.570 0.048 0.000 2.339 138 I HA 0.200 4.374 4.170 0.007 0.000 0.290 138 I C -1.589 174.547 176.117 0.031 0.000 0.994 138 I CA -0.969 60.338 61.300 0.012 0.000 1.191 138 I CB 3.477 41.449 38.000 -0.045 0.000 1.343 138 I HN -0.453 7.778 8.210 0.034 0.000 0.458 139 V N 4.852 124.804 119.914 0.064 0.000 2.432 139 V HA 0.639 4.900 4.120 -0.002 -0.143 0.275 139 V C -1.171 174.925 176.094 0.004 0.000 1.043 139 V CA -1.690 60.627 62.300 0.028 0.000 0.925 139 V CB 0.999 32.851 31.823 0.049 0.000 0.985 139 V HN 0.326 8.576 8.190 0.100 0.000 0.466 140 R N 4.845 125.319 120.500 -0.044 0.000 2.237 140 R HA 0.060 4.377 4.340 -0.037 0.000 0.195 140 R C 0.161 176.417 176.300 -0.073 0.000 0.956 140 R CA 0.563 56.627 56.100 -0.059 0.000 1.029 140 R CB 1.666 31.910 30.300 -0.093 0.000 0.972 140 R HN 0.636 8.769 8.270 -0.056 0.103 0.493 141 E N -2.168 117.964 120.200 -0.114 0.000 2.227 141 E HA 0.191 4.473 4.350 -0.113 0.000 0.268 141 E C -1.407 175.025 176.600 -0.280 0.000 0.907 141 E CA -1.200 55.108 56.400 -0.154 0.000 0.786 141 E CB 3.039 32.651 29.700 -0.148 0.000 1.191 141 E HN -0.752 7.537 8.360 -0.118 0.000 0.411 142 C N 1.239 120.323 119.300 -0.361 0.000 2.982 142 C HA 0.473 4.746 4.460 -0.661 -0.209 0.372 142 C C -1.995 172.697 174.990 -0.497 0.000 1.061 142 C CA -0.836 57.736 59.018 -0.742 0.000 1.309 142 C CB 2.011 28.861 27.740 -1.484 0.000 1.766 142 C HN 0.428 8.521 8.230 -0.228 0.000 0.504 143 E N 5.916 125.951 120.200 -0.276 0.000 2.182 143 E HA 0.510 4.963 4.350 0.171 0.000 0.258 143 E C -2.703 173.911 176.600 0.023 0.000 0.879 143 E CA -3.588 52.804 56.400 -0.013 0.000 0.754 143 E CB 2.438 32.104 29.700 -0.056 0.000 1.162 143 E HN 0.551 8.696 8.360 -0.357 0.000 0.419 144 P HA 0.238 4.832 4.420 0.151 -0.083 0.286 144 P C -0.918 176.457 177.300 0.125 0.000 1.269 144 P CA -1.120 62.091 63.100 0.185 0.000 0.787 144 P CB 0.924 32.784 31.700 0.266 0.000 0.920 145 V N 2.648 122.636 119.914 0.123 0.000 2.427 145 V HA 0.496 4.740 4.120 0.103 -0.062 0.286 145 V C -1.841 174.302 176.094 0.080 0.000 1.034 145 V CA -4.361 58.009 62.300 0.117 0.000 0.893 145 V CB 1.356 33.280 31.823 0.169 0.000 0.982 145 V HN 0.460 8.626 8.190 0.138 0.108 0.452 146 P HA 0.141 4.575 4.420 0.024 0.000 0.323 146 P C -0.642 176.665 177.300 0.012 0.000 1.319 146 P CA -0.772 62.357 63.100 0.047 0.000 0.741 146 P CB 1.079 32.828 31.700 0.081 0.000 1.545 147 H N -4.265 114.874 119.070 0.115 0.000 2.672 147 H HA 0.138 4.713 4.556 0.033 0.000 0.277 147 H C -0.776 174.793 175.328 0.402 0.000 1.074 147 H CA 0.732 56.885 56.048 0.175 0.000 1.173 147 H CB 0.771 30.630 29.762 0.162 0.000 1.558 147 H HN -0.000 8.417 8.280 0.229 0.000 0.539 148 S N -2.485 113.427 115.700 0.354 0.000 2.882 148 S HA 0.027 4.684 4.470 0.312 0.000 0.258 148 S C 0.660 175.359 174.600 0.165 0.000 1.081 148 S CA 0.679 59.026 58.200 0.244 0.000 0.886 148 S CB 1.375 64.624 63.200 0.082 0.000 0.855 148 S HN -0.407 7.993 8.310 0.250 0.059 0.467 149 Q N 1.414 121.294 119.800 0.133 0.000 2.282 149 Q HA 0.160 4.548 4.340 0.080 0.000 0.205 149 Q C 1.587 177.663 176.000 0.126 0.000 0.915 149 Q CA 0.548 56.411 55.803 0.100 0.000 0.949 149 Q CB -0.576 28.204 28.738 0.071 0.000 1.035 149 Q HN 0.435 8.785 8.270 0.135 0.000 0.484 150 I N -3.849 116.827 120.570 0.176 0.000 2.394 150 I HA -0.356 3.916 4.170 0.169 0.000 0.251 150 I C 0.702 176.919 176.117 0.167 0.000 1.136 150 I CA 2.819 64.231 61.300 0.186 0.000 1.425 150 I CB -0.593 37.551 38.000 0.240 0.000 1.079 150 I HN -0.180 8.057 8.210 0.217 0.104 0.425 151 S N -0.411 115.388 115.700 0.164 0.000 2.603 151 S HA -0.223 4.327 4.470 0.133 0.000 0.229 151 S C 0.718 175.373 174.600 0.093 0.000 0.972 151 S CA 1.931 60.208 58.200 0.129 0.000 0.935 151 S CB -0.898 62.376 63.200 0.122 0.000 0.769 151 S HN 0.041 8.444 8.310 0.183 0.017 0.536 152 S N -0.518 115.236 115.700 0.089 0.000 2.506 152 S HA 0.108 4.612 4.470 0.056 0.000 0.219 152 S C 0.510 175.151 174.600 0.068 0.000 1.031 152 S CA 1.331 59.570 58.200 0.066 0.000 0.911 152 S CB 0.995 64.228 63.200 0.056 0.000 0.812 152 S HN -0.487 7.674 8.310 0.104 0.211 0.497 153 I N 0.700 121.323 120.570 0.088 0.000 2.556 153 I HA -0.099 4.111 4.170 0.067 0.000 0.251 153 I C -0.258 175.927 176.117 0.112 0.000 1.105 153 I CA 1.325 62.678 61.300 0.090 0.000 1.436 153 I CB 1.189 39.252 38.000 0.105 0.000 1.139 153 I HN -0.886 7.275 8.210 0.103 0.112 0.438 154 A N -0.466 122.437 122.820 0.139 0.000 2.801 154 A HA 0.333 4.740 4.320 0.144 0.000 0.344 154 A C -0.865 176.775 177.584 0.093 0.000 1.322 154 A CA -1.285 50.835 52.037 0.139 0.000 0.913 154 A CB -1.067 18.035 19.000 0.172 0.000 1.140 154 A HN 0.126 8.361 8.150 0.142 0.000 0.487 155 S N 2.976 118.720 115.700 0.073 0.000 2.348 155 S HA 0.067 4.577 4.470 0.066 0.000 0.219 155 S C -0.970 173.657 174.600 0.045 0.000 1.033 155 S CA 1.659 59.894 58.200 0.058 0.000 0.974 155 S CB -0.854 62.375 63.200 0.047 0.000 0.868 155 S HN 0.247 8.599 8.310 0.071 0.000 0.459 156 P HA 0.191 4.622 4.420 0.019 0.000 0.302 156 P C 0.405 177.708 177.300 0.005 0.000 1.301 156 P CA -0.667 62.444 63.100 0.017 0.000 0.745 156 P CB 0.532 32.238 31.700 0.010 0.000 1.331 157 S N -0.641 115.051 115.700 -0.013 0.000 2.434 157 S HA -0.415 4.056 4.470 0.002 0.000 0.243 157 S C 1.801 176.357 174.600 -0.073 0.000 1.045 157 S CA 3.389 61.571 58.200 -0.031 0.000 1.019 157 S CB -0.304 62.857 63.200 -0.064 0.000 0.811 157 S HN 0.323 8.625 8.310 -0.012 0.000 0.485 158 Q N 0.601 120.348 119.800 -0.089 0.000 2.308 158 Q HA -0.294 3.863 4.340 -0.305 0.000 0.209 158 Q C 2.440 178.358 176.000 -0.138 0.000 0.985 158 Q CA 2.838 58.549 55.803 -0.152 0.000 0.881 158 Q CB -0.764 27.984 28.738 0.017 0.000 0.917 158 Q HN 0.305 8.499 8.270 -0.052 0.045 0.443 159 C N -0.926 118.358 119.300 -0.027 0.000 2.489 159 C HA -0.390 4.089 4.460 0.032 0.000 0.279 159 C C 1.271 176.268 174.990 0.013 0.000 1.266 159 C CA 4.494 63.525 59.018 0.021 0.000 1.707 159 C CB -0.386 27.395 27.740 0.069 0.000 2.059 159 C HN 0.625 8.690 8.230 -0.004 0.162 0.481 160 E N 1.198 121.417 120.200 0.032 0.000 2.038 160 E HA -0.439 3.945 4.350 0.056 0.000 0.195 160 E C 1.800 178.407 176.600 0.011 0.000 1.000 160 E CA 3.389 59.816 56.400 0.046 0.000 0.803 160 E CB -0.887 28.855 29.700 0.069 0.000 0.750 160 E HN -0.326 8.053 8.360 0.032 0.000 0.448 161 H N -0.166 118.804 119.070 -0.168 0.000 2.431 161 H HA -0.267 4.197 4.556 -0.153 0.000 0.297 161 H C 2.746 177.899 175.328 -0.293 0.000 1.115 161 H CA 3.985 59.892 56.048 -0.235 0.000 1.277 161 H CB -0.144 29.402 29.762 -0.359 0.000 1.372 161 H HN -0.331 8.033 8.280 0.140 0.000 0.516 162 L N -2.332 118.746 121.223 -0.241 0.000 2.162 162 L HA -0.190 3.863 4.340 -0.478 0.000 0.205 162 L C 1.364 177.970 176.870 -0.440 0.000 1.086 162 L CA 2.388 56.994 54.840 -0.390 0.000 0.778 162 L CB -0.065 41.856 42.059 -0.230 0.000 0.928 162 L HN -0.489 7.501 8.230 -0.183 0.131 0.446 163 R N -0.282 120.161 120.500 -0.094 0.000 2.073 163 R HA -0.275 4.220 4.340 0.259 0.000 0.229 163 R C 2.273 178.601 176.300 0.047 0.000 1.120 163 R CA 3.413 59.570 56.100 0.094 0.000 0.967 163 R CB -0.425 29.973 30.300 0.162 0.000 0.862 163 R HN 0.231 8.279 8.270 -0.043 0.196 0.436 164 L N -1.050 120.155 121.223 -0.031 0.000 2.217 164 L HA -0.238 4.087 4.340 -0.024 0.000 0.211 164 L C 1.946 178.733 176.870 -0.139 0.000 1.107 164 L CA 2.288 57.086 54.840 -0.070 0.000 0.783 164 L CB -0.078 41.916 42.059 -0.109 0.000 0.919 164 L HN 0.646 8.727 8.230 -0.046 0.121 0.442 165 F N 1.258 121.005 119.950 -0.339 0.000 2.075 165 F HA -0.415 3.904 4.527 -0.346 0.000 0.297 165 F C 1.109 176.805 175.800 -0.174 0.000 1.113 165 F CA 3.555 61.345 58.000 -0.349 0.000 1.218 165 F CB -0.392 38.335 39.000 -0.455 0.000 0.984 165 F HN -0.630 7.498 8.300 -0.101 0.111 0.472 166 Y N -2.299 117.767 120.300 -0.390 0.000 2.151 166 Y HA -0.512 3.685 4.550 -0.589 0.000 0.284 166 Y C 2.309 178.213 175.900 0.007 0.000 1.166 166 Y CA 2.396 60.315 58.100 -0.303 0.000 1.163 166 Y CB -1.323 37.118 38.460 -0.032 0.000 0.974 166 Y HN -0.355 7.525 8.280 -0.666 0.000 0.511 167 Q N -0.800 119.113 119.800 0.189 0.000 2.124 167 Q HA -0.302 4.172 4.340 0.222 0.000 0.202 167 Q C 2.683 178.431 176.000 -0.420 0.000 0.977 167 Q CA 2.848 58.666 55.803 0.026 0.000 0.850 167 Q CB -0.750 28.025 28.738 0.061 0.000 0.901 167 Q HN -0.430 7.834 8.270 0.126 0.081 0.429 168 R N -1.343 118.869 120.500 -0.480 0.000 2.093 168 R HA -0.167 3.742 4.340 -0.718 0.000 0.224 168 R C 2.336 178.376 176.300 -0.433 0.000 1.101 168 R CA 2.140 57.778 56.100 -0.769 0.000 0.979 168 R CB -0.188 29.245 30.300 -1.444 0.000 0.877 168 R HN -0.081 7.814 8.270 -0.415 0.126 0.441 169 A N 0.066 122.668 122.820 -0.363 0.000 1.887 169 A HA -0.070 4.287 4.320 0.062 0.000 0.212 169 A C 1.190 178.712 177.584 -0.103 0.000 1.198 169 A CA 2.492 54.445 52.037 -0.139 0.000 0.628 169 A CB 0.248 19.049 19.000 -0.331 0.000 0.847 169 A HN 0.571 8.229 8.150 -0.512 0.185 0.449 170 F N -2.406 117.444 119.950 -0.166 0.000 2.269 170 F HA -0.326 4.060 4.527 -0.236 0.000 0.301 170 F C 0.847 176.578 175.800 -0.115 0.000 1.082 170 F CA 2.048 59.942 58.000 -0.177 0.000 1.360 170 F CB -0.480 38.411 39.000 -0.182 0.000 1.041 170 F HN 0.620 8.801 8.300 0.019 0.130 0.512 171 K N -1.186 118.585 120.400 -1.048 0.000 2.044 171 K HA -0.193 3.648 4.320 -0.799 0.000 0.204 171 K C 1.739 178.164 176.600 -0.291 0.000 1.045 171 K CA 1.935 57.735 56.287 -0.811 0.000 0.951 171 K CB -0.399 31.597 32.500 -0.840 0.000 0.738 171 K HN -0.709 6.914 8.250 -0.999 0.027 0.443 172 R N -1.726 118.667 120.500 -0.179 0.000 2.200 172 R HA -0.147 4.180 4.340 -0.021 0.000 0.208 172 R C 2.198 178.509 176.300 0.019 0.000 1.033 172 R CA 1.286 57.375 56.100 -0.018 0.000 1.000 172 R CB 0.198 30.564 30.300 0.111 0.000 0.906 172 R HN -0.812 7.321 8.270 -0.228 0.000 0.462 173 I N -3.067 117.512 120.570 0.016 0.000 2.118 173 I HA -0.303 3.925 4.170 0.096 0.000 0.241 173 I C 0.164 176.319 176.117 0.063 0.000 1.070 173 I CA 2.142 63.481 61.300 0.065 0.000 1.327 173 I CB 0.678 38.716 38.000 0.064 0.000 1.034 173 I HN 0.062 8.113 8.210 -0.032 0.140 0.405 174 G N -2.909 105.915 108.800 0.040 0.000 2.944 174 G HA2 -0.060 3.920 3.960 0.034 0.000 0.471 174 G HA3 -0.060 3.941 3.960 0.068 0.000 0.471 174 G C -0.166 174.767 174.900 0.054 0.000 1.388 174 G CA -0.810 44.320 45.100 0.049 0.000 1.087 174 G HN -0.779 7.520 8.290 0.015 0.000 0.596 175 E N 3.199 123.426 120.200 0.045 0.000 2.284 175 E HA -0.453 3.935 4.350 0.063 0.000 0.200 175 E C 0.528 177.158 176.600 0.050 0.000 1.008 175 E CA 2.790 59.219 56.400 0.050 0.000 0.829 175 E CB -0.435 29.287 29.700 0.038 0.000 0.744 175 E HN 0.519 8.899 8.360 0.033 0.000 0.491 176 S N 1.288 117.021 115.700 0.054 0.000 2.338 176 S HA -0.230 4.261 4.470 0.034 0.000 0.218 176 S C 1.866 176.525 174.600 0.098 0.000 1.032 176 S CA 3.086 61.320 58.200 0.057 0.000 0.999 176 S CB -0.597 62.638 63.200 0.058 0.000 0.905 176 S HN -0.096 8.201 8.310 0.053 0.045 0.439 177 A N 2.632 125.537 122.820 0.140 0.000 1.948 177 A HA -0.308 4.193 4.320 0.302 0.000 0.220 177 A C 2.185 179.938 177.584 0.281 0.000 1.177 177 A CA 2.846 55.031 52.037 0.248 0.000 0.636 177 A CB -1.059 18.083 19.000 0.236 0.000 0.815 177 A HN -0.581 7.642 8.150 0.122 0.000 0.449 178 I N -3.359 117.304 120.570 0.155 0.000 2.264 178 I HA -0.444 3.802 4.170 0.126 0.000 0.248 178 I C 1.422 177.681 176.117 0.235 0.000 1.111 178 I CA 2.418 63.801 61.300 0.139 0.000 1.382 178 I CB -1.163 36.860 38.000 0.038 0.000 1.060 178 I HN -0.579 7.677 8.210 0.104 0.017 0.418 179 S N -1.696 114.092 115.700 0.148 0.000 2.436 179 S HA -0.203 4.308 4.470 0.068 0.000 0.228 179 S C 2.457 177.151 174.600 0.157 0.000 1.014 179 S CA 2.839 61.094 58.200 0.092 0.000 0.950 179 S CB -0.312 62.867 63.200 -0.035 0.000 0.784 179 S HN -0.167 8.085 8.310 0.104 0.121 0.504 180 R N 0.767 121.303 120.500 0.059 0.000 2.096 180 R HA -0.198 3.945 4.340 -0.328 0.000 0.235 180 R C 0.715 176.582 176.300 -0.721 0.000 1.127 180 R CA 2.029 57.910 56.100 -0.365 0.000 0.968 180 R CB -0.124 29.998 30.300 -0.295 0.000 0.861 180 R HN -0.571 7.643 8.270 0.128 0.133 0.440 181 Y N -6.469 113.966 120.300 0.226 0.000 2.685 181 Y HA 0.302 4.814 4.550 -0.064 0.000 0.257 181 Y C -0.441 175.460 175.900 0.002 0.000 1.053 181 Y CA -2.422 55.708 58.100 0.050 0.000 1.106 181 Y CB -1.102 37.378 38.460 0.033 0.000 1.193 181 Y HN -0.663 7.862 8.280 0.425 0.011 0.602 182 F N -0.564 119.468 119.950 0.136 0.000 2.063 182 F HA -0.422 4.237 4.527 0.150 -0.043 0.298 182 F C 1.110 176.946 175.800 0.060 0.000 1.109 182 F CA 2.955 61.014 58.000 0.099 0.000 1.212 182 F CB -0.702 38.306 39.000 0.012 0.000 0.973 182 F HN -0.967 7.662 8.300 0.723 0.104 0.480 183 E N -0.628 118.699 120.200 -1.455 0.000 2.147 183 E HA -0.493 3.525 4.350 -0.553 0.000 0.199 183 E C 2.108 178.469 176.600 -0.398 0.000 1.005 183 E CA 3.195 59.081 56.400 -0.857 0.000 0.810 183 E CB -1.239 27.837 29.700 -1.040 0.000 0.736 183 E HN 0.400 6.694 8.360 -3.444 0.000 0.460 184 E N -1.544 118.468 120.200 -0.315 0.000 2.112 184 E HA -0.170 4.007 4.350 -0.289 0.000 0.190 184 E C 2.274 178.781 176.600 -0.154 0.000 0.979 184 E CA 1.804 58.064 56.400 -0.234 0.000 0.814 184 E CB 0.085 29.667 29.700 -0.197 0.000 0.762 184 E HN -0.364 7.675 8.360 -0.348 0.113 0.460 185 Y N -0.587 119.667 120.300 -0.078 0.000 2.475 185 Y HA -0.093 4.450 4.550 -0.010 0.000 0.289 185 Y C 1.375 177.165 175.900 -0.183 0.000 1.121 185 Y CA 2.233 60.297 58.100 -0.060 0.000 1.257 185 Y CB 0.499 38.971 38.460 0.021 0.000 1.026 185 Y HN -0.111 8.149 8.280 0.119 0.091 0.555 186 R N -3.135 117.367 120.500 0.004 0.000 2.341 186 R HA -0.228 4.054 4.340 -0.097 0.000 0.213 186 R C 0.224 176.396 176.300 -0.213 0.000 1.082 186 R CA 0.639 56.674 56.100 -0.108 0.000 1.017 186 R CB -0.953 29.288 30.300 -0.098 0.000 0.860 186 R HN 0.180 8.345 8.270 0.000 0.105 0.473 187 R N 1.176 121.563 120.500 -0.189 0.000 4.478 187 R HA -0.290 4.033 4.340 -0.028 0.000 0.228 187 R C -0.417 175.890 176.300 0.011 0.000 0.457 187 R CA 1.073 57.121 56.100 -0.086 0.000 0.951 187 R CB -1.621 28.683 30.300 0.006 0.000 0.917 187 R HN -0.976 7.113 8.270 -0.149 0.092 0.295 188 F N -0.275 119.637 119.950 -0.063 0.000 2.180 188 F HA -0.321 4.142 4.527 -0.106 0.000 0.139 188 F C -1.528 174.223 175.800 -0.083 0.000 1.019 188 F CA 1.504 59.456 58.000 -0.080 0.000 0.741 188 F CB -2.562 36.404 39.000 -0.057 0.000 0.685 188 F HN -0.370 7.599 8.300 -0.552 0.000 0.790 189 F N -0.010 119.861 119.950 -0.132 0.000 1.717 189 F HA 0.028 4.519 4.527 -0.060 0.000 0.259 189 F C -1.528 174.123 175.800 -0.249 0.000 1.252 189 F CA 0.959 58.859 58.000 -0.168 0.000 1.273 189 F CB -0.799 38.026 39.000 -0.292 0.000 2.021 189 F HN -0.542 7.709 8.300 -0.082 0.000 0.124 190 P HA 0.024 4.217 4.420 -0.379 0.000 0.200 190 P C -0.272 176.915 177.300 -0.188 0.000 1.204 190 P CA 0.902 63.840 63.100 -0.270 0.000 0.886 190 P CB -0.023 31.471 31.700 -0.343 0.000 0.718 191 I N 0.000 120.482 120.570 -0.146 0.000 2.984 191 I HA 0.000 4.110 4.170 -0.100 0.000 0.288 191 I CA 0.000 61.240 61.300 -0.100 0.000 1.566 191 I CB 0.000 37.976 38.000 -0.040 0.000 1.214 191 I HN 0.000 8.127 8.210 -0.138 0.000 0.494