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 2jzc_1_A DATA FIRST_RESID 24 DATA SEQUENCE GIIEEKALFV TCGATVPFPK LVSCVLSDEF CQELIQYGFV RLIIQFGRNY DATA SEQUENCE SSEFEHLVQE RGGQRESQKI PIDQFGCGDT ARQYVLMNGK LKVIGFDFST DATA SEQUENCE KMQSIIRDYS DLVISHAGTG SILDSLRLNK PLIVCVNDSL MDNHQQQIAD DATA SEQUENCE KFVELGYVWS CAPTETGLIA GLRASQTEKL KPFPVSHNPS FERLLVETIY DATA SEQUENCE S 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.977 3.960 0.029 0.000 0.244 24 G C 0.000 174.914 174.900 0.023 0.000 0.946 24 G CA 0.000 45.133 45.100 0.056 0.000 0.502 25 I N 0.524 121.088 120.570 -0.011 0.000 2.252 25 I HA -0.181 3.931 4.170 -0.098 0.000 0.245 25 I C -0.028 175.961 176.117 -0.213 0.000 1.102 25 I CA 0.570 61.815 61.300 -0.092 0.000 1.385 25 I CB 0.462 38.444 38.000 -0.029 0.000 1.064 25 I HN -0.030 8.186 8.210 0.010 0.000 0.414 26 I N -3.715 116.781 120.570 -0.123 0.000 7.533 26 I HA -0.378 3.748 4.170 -0.073 0.000 0.126 26 I C -1.326 174.716 176.117 -0.124 0.000 1.830 26 I CA 0.026 61.252 61.300 -0.123 0.000 2.068 26 I CB -1.511 36.392 38.000 -0.162 0.000 3.648 26 I HN -0.418 7.751 8.210 -0.069 0.000 0.179 27 E N 3.095 123.258 120.200 -0.061 0.000 2.452 27 E HA -0.187 4.142 4.350 -0.035 0.000 0.261 27 E C -0.873 175.711 176.600 -0.026 0.000 0.987 27 E CA 1.003 57.387 56.400 -0.027 0.000 0.926 27 E CB 0.417 30.129 29.700 0.020 0.000 0.934 27 E HN -0.025 8.311 8.360 -0.041 0.000 0.452 28 E N 4.347 124.538 120.200 -0.015 0.000 3.040 28 E HA -0.029 4.324 4.350 0.005 0.000 0.286 28 E C -1.790 174.824 176.600 0.022 0.000 1.136 28 E CA 0.353 56.749 56.400 -0.007 0.000 2.027 28 E CB 1.244 30.919 29.700 -0.043 0.000 2.092 28 E HN 0.304 8.658 8.360 -0.009 0.000 1.029 29 K N -1.134 119.270 120.400 0.006 0.000 2.443 29 K HA 0.334 4.894 4.320 0.069 -0.199 0.252 29 K C -1.543 175.066 176.600 0.015 0.000 0.933 29 K CA -1.365 54.946 56.287 0.039 0.000 0.792 29 K CB 2.289 34.820 32.500 0.052 0.000 1.185 29 K HN -0.051 8.183 8.250 -0.028 0.000 0.425 30 A N 2.626 125.453 122.820 0.011 0.000 2.269 30 A HA 0.642 4.910 4.320 -0.088 0.000 0.327 30 A C -1.835 175.779 177.584 0.052 0.000 1.112 30 A CA -1.653 50.343 52.037 -0.067 0.000 0.865 30 A CB 2.376 21.177 19.000 -0.331 0.000 1.227 30 A HN 0.058 8.412 8.150 0.063 -0.166 0.498 31 L N -2.078 119.191 121.223 0.077 0.000 2.415 31 L HA 0.464 5.102 4.340 0.157 -0.204 0.268 31 L C -1.557 175.421 176.870 0.180 0.000 0.984 31 L CA -0.947 53.981 54.840 0.148 0.000 0.853 31 L CB 2.677 44.838 42.059 0.170 0.000 1.215 31 L HN -0.189 8.062 8.230 0.036 0.000 0.419 32 F N 6.799 126.782 119.950 0.054 0.000 2.420 32 F HA 0.713 5.428 4.527 0.039 -0.164 0.342 32 F C -2.403 173.412 175.800 0.024 0.000 1.113 32 F CA -2.098 55.926 58.000 0.041 0.000 1.059 32 F CB 3.534 42.561 39.000 0.045 0.000 1.128 32 F HN -0.193 8.282 8.300 0.292 0.000 0.475 33 V N 8.318 127.692 119.914 -0.901 0.000 2.709 33 V HA 0.822 4.851 4.120 -0.490 -0.203 0.308 33 V C -2.484 173.064 176.094 -0.910 0.000 1.062 33 V CA -2.102 59.780 62.300 -0.697 0.000 0.901 33 V CB 3.866 35.428 31.823 -0.434 0.000 1.003 33 V HN -0.100 7.518 8.190 -0.955 0.000 0.425 34 T N 7.078 121.278 114.554 -0.589 0.000 2.952 34 T HA 0.544 4.717 4.350 -0.296 0.000 0.305 34 T C -0.393 174.075 174.700 -0.387 0.000 1.064 34 T CA -2.107 59.773 62.100 -0.366 0.000 1.008 34 T CB 1.792 70.588 68.868 -0.120 0.000 1.078 34 T HN -0.321 7.671 8.240 -0.414 0.000 0.459 35 C N 5.929 124.888 119.300 -0.569 0.000 2.673 35 C HA 0.011 3.464 4.460 -1.678 0.000 0.264 35 C C 0.942 175.621 174.990 -0.518 0.000 1.304 35 C CA 0.860 59.250 59.018 -1.046 0.000 1.727 35 C CB 1.134 28.041 27.740 -1.388 0.000 1.932 35 C HN 0.866 8.864 8.230 -0.386 0.000 0.563 36 G N 0.169 108.924 108.800 -0.075 0.000 3.434 36 G HA2 -0.517 3.521 3.960 0.130 0.000 0.343 36 G HA3 -0.517 3.553 3.960 0.184 0.000 0.343 36 G C -0.629 174.324 174.900 0.088 0.000 1.240 36 G CA 1.327 46.489 45.100 0.104 0.000 0.996 36 G HN -0.558 7.664 8.290 -0.039 0.045 0.650 37 A N 2.928 125.797 122.820 0.081 0.000 2.281 37 A HA 0.082 4.445 4.320 0.072 0.000 0.271 37 A C -0.403 177.167 177.584 -0.024 0.000 1.196 37 A CA -0.053 52.012 52.037 0.048 0.000 0.807 37 A CB 0.183 19.212 19.000 0.048 0.000 1.138 37 A HN -0.371 8.079 8.150 0.154 -0.208 0.506 38 T N -2.157 112.368 114.554 -0.048 0.000 2.902 38 T HA -0.190 4.138 4.350 -0.036 0.000 0.301 38 T C 0.110 174.645 174.700 -0.275 0.000 1.012 38 T CA 0.110 62.130 62.100 -0.134 0.000 1.151 38 T CB -0.035 68.703 68.868 -0.217 0.000 0.946 38 T HN -0.029 8.195 8.240 -0.025 0.000 0.542 39 V N 0.623 120.339 119.914 -0.331 0.000 2.872 39 V HA -0.038 3.765 4.120 -0.528 0.000 0.307 39 V C -0.141 175.648 176.094 -0.510 0.000 1.072 39 V CA -1.940 60.075 62.300 -0.474 0.000 1.148 39 V CB -0.848 30.663 31.823 -0.520 0.000 0.954 39 V HN -0.047 8.021 8.190 -0.202 0.000 0.490 40 P HA -0.135 3.737 4.420 -0.912 0.000 0.212 40 P C -0.957 175.541 177.300 -1.338 0.000 1.180 40 P CA 1.384 63.932 63.100 -0.921 0.000 0.906 40 P CB 0.705 32.002 31.700 -0.672 0.000 0.782 41 F N -5.301 114.534 119.950 -0.191 0.000 2.581 41 F HA 0.285 4.726 4.527 -0.143 0.000 0.311 41 F C -2.036 173.660 175.800 -0.173 0.000 1.113 41 F CA -3.493 54.414 58.000 -0.155 0.000 0.935 41 F CB 0.301 39.230 39.000 -0.117 0.000 1.232 41 F HN -0.734 7.361 8.300 -0.343 0.000 0.445 42 P HA -0.243 4.078 4.420 -0.165 0.000 0.217 42 P C 0.432 177.692 177.300 -0.067 0.000 1.148 42 P CA 2.319 65.376 63.100 -0.072 0.000 0.828 42 P CB 0.041 31.726 31.700 -0.023 0.000 0.783 43 K N -4.873 115.524 120.400 -0.004 0.000 2.103 43 K HA -0.175 4.126 4.320 -0.033 0.000 0.204 43 K C 1.786 178.363 176.600 -0.040 0.000 1.052 43 K CA 2.576 58.850 56.287 -0.022 0.000 0.945 43 K CB -0.919 31.569 32.500 -0.020 0.000 0.722 43 K HN 0.099 8.349 8.250 0.053 0.032 0.443 44 L N 0.754 121.968 121.223 -0.014 0.000 2.046 44 L HA -0.325 3.993 4.340 -0.036 0.000 0.208 44 L C 1.704 178.492 176.870 -0.137 0.000 1.077 44 L CA 2.890 57.703 54.840 -0.045 0.000 0.747 44 L CB 0.076 42.141 42.059 0.010 0.000 0.896 44 L HN -0.659 7.510 8.230 0.053 0.093 0.432 45 V N -1.716 118.075 119.914 -0.205 0.000 2.407 45 V HA -0.663 3.246 4.120 -0.351 0.000 0.248 45 V C 1.844 177.797 176.094 -0.235 0.000 1.055 45 V CA 4.012 66.129 62.300 -0.304 0.000 1.049 45 V CB -0.500 31.072 31.823 -0.418 0.000 0.662 45 V HN -0.640 7.438 8.190 -0.187 0.000 0.455 46 S N -0.087 115.517 115.700 -0.160 0.000 2.374 46 S HA -0.350 4.065 4.470 -0.092 0.000 0.227 46 S C 2.318 176.875 174.600 -0.073 0.000 1.037 46 S CA 3.556 61.699 58.200 -0.095 0.000 1.024 46 S CB -0.500 62.667 63.200 -0.054 0.000 0.861 46 S HN -0.518 7.607 8.310 -0.148 0.096 0.456 47 C N 1.873 121.128 119.300 -0.076 0.000 2.401 47 C HA -0.337 4.117 4.460 -0.010 0.000 0.276 47 C C 0.752 175.712 174.990 -0.050 0.000 1.233 47 C CA 3.416 62.408 59.018 -0.044 0.000 1.753 47 C CB -0.538 27.171 27.740 -0.051 0.000 2.029 47 C HN -0.488 7.684 8.230 -0.087 0.006 0.478 48 V N -4.704 115.100 119.914 -0.182 0.000 3.217 48 V HA -0.190 3.715 4.120 -0.358 0.000 0.264 48 V C -0.476 175.279 176.094 -0.564 0.000 1.135 48 V CA 1.668 63.718 62.300 -0.418 0.000 1.142 48 V CB 0.217 31.736 31.823 -0.506 0.000 0.754 48 V HN -0.665 7.298 8.190 -0.199 0.107 0.484 49 L N -1.465 119.646 121.223 -0.186 0.000 3.186 49 L HA 0.251 4.652 4.340 0.102 0.000 0.317 49 L C -1.874 175.047 176.870 0.086 0.000 1.296 49 L CA -0.801 54.029 54.840 -0.016 0.000 0.870 49 L CB 0.653 42.684 42.059 -0.047 0.000 1.302 49 L HN -0.267 7.658 8.230 -0.137 0.223 0.590 50 S N -0.717 115.054 115.700 0.117 0.000 2.921 50 S HA 0.262 4.775 4.470 0.072 0.000 0.315 50 S C -0.888 173.769 174.600 0.096 0.000 1.087 50 S CA -1.088 57.162 58.200 0.083 0.000 0.877 50 S CB 2.715 65.938 63.200 0.039 0.000 1.340 50 S HN -0.974 7.431 8.310 0.159 0.000 0.622 51 D N 2.010 122.442 120.400 0.052 0.000 2.116 51 D HA -0.299 4.353 4.640 0.021 0.000 0.193 51 D C 1.979 178.296 176.300 0.029 0.000 0.998 51 D CA 3.655 57.672 54.000 0.029 0.000 0.836 51 D CB -0.016 40.793 40.800 0.014 0.000 0.951 51 D HN 0.349 8.744 8.370 0.041 0.000 0.449 52 E N -0.633 119.594 120.200 0.045 0.000 2.038 52 E HA -0.375 3.984 4.350 0.015 0.000 0.195 52 E C 2.298 178.933 176.600 0.059 0.000 1.000 52 E CA 2.991 59.416 56.400 0.042 0.000 0.803 52 E CB -0.396 29.332 29.700 0.047 0.000 0.750 52 E HN 0.127 8.514 8.360 0.044 0.000 0.448 53 F N 0.828 120.753 119.950 -0.042 0.000 2.134 53 F HA -0.347 4.140 4.527 -0.065 0.000 0.299 53 F C 1.550 177.329 175.800 -0.034 0.000 1.097 53 F CA 3.137 61.107 58.000 -0.050 0.000 1.264 53 F CB 0.046 39.014 39.000 -0.053 0.000 1.001 53 F HN -0.849 7.588 8.300 0.229 0.000 0.479 54 C N -0.194 119.078 119.300 -0.047 0.000 2.413 54 C HA -0.593 3.745 4.460 -0.203 0.000 0.277 54 C C 1.414 176.298 174.990 -0.178 0.000 1.228 54 C CA 4.681 63.619 59.018 -0.133 0.000 1.731 54 C CB -0.354 27.372 27.740 -0.024 0.000 2.042 54 C HN 0.752 8.944 8.230 0.119 0.110 0.468 55 Q N -0.624 119.111 119.800 -0.108 0.000 2.061 55 Q HA -0.385 3.907 4.340 -0.080 0.000 0.204 55 Q C 2.591 178.531 176.000 -0.099 0.000 0.984 55 Q CA 3.081 58.833 55.803 -0.085 0.000 0.846 55 Q CB -0.505 28.205 28.738 -0.046 0.000 0.902 55 Q HN 0.285 8.515 8.270 -0.067 0.000 0.421 56 E N -1.872 118.244 120.200 -0.140 0.000 2.204 56 E HA -0.294 4.029 4.350 -0.045 0.000 0.195 56 E C 1.967 178.466 176.600 -0.169 0.000 0.990 56 E CA 2.049 58.367 56.400 -0.136 0.000 0.821 56 E CB -0.392 29.199 29.700 -0.182 0.000 0.750 56 E HN -0.557 7.717 8.360 -0.143 0.000 0.477 57 L N -1.030 119.993 121.223 -0.334 0.000 2.005 57 L HA -0.228 3.944 4.340 -0.280 0.000 0.207 57 L C 2.590 179.471 176.870 0.018 0.000 1.072 57 L CA 2.871 57.548 54.840 -0.272 0.000 0.744 57 L CB 0.244 42.045 42.059 -0.431 0.000 0.895 57 L HN -0.374 7.466 8.230 -0.410 0.144 0.433 58 I N -0.766 119.789 120.570 -0.025 0.000 2.335 58 I HA -0.489 3.825 4.170 0.240 0.000 0.251 58 I C 1.638 177.824 176.117 0.115 0.000 1.129 58 I CA 2.850 64.188 61.300 0.063 0.000 1.402 58 I CB -0.771 37.176 38.000 -0.090 0.000 1.069 58 I HN -0.145 7.991 8.210 -0.122 0.000 0.424 59 Q N -0.102 119.741 119.800 0.072 0.000 2.435 59 Q HA -0.215 4.158 4.340 0.054 0.000 0.207 59 Q C 0.836 176.911 176.000 0.125 0.000 0.956 59 Q CA 2.153 58.004 55.803 0.081 0.000 0.917 59 Q CB 0.184 28.962 28.738 0.066 0.000 0.997 59 Q HN -0.386 7.790 8.270 0.026 0.110 0.497 60 Y N -1.204 119.087 120.300 -0.016 0.000 2.458 60 Y HA 0.051 4.588 4.550 -0.022 0.000 0.256 60 Y C -0.497 175.407 175.900 0.007 0.000 1.159 60 Y CA 0.548 58.637 58.100 -0.018 0.000 1.261 60 Y CB 1.468 39.898 38.460 -0.049 0.000 1.119 60 Y HN -0.393 7.787 8.280 0.219 0.231 0.524 61 G N -0.910 107.968 108.800 0.130 0.000 2.248 61 G HA2 -0.430 3.582 3.960 0.087 0.000 0.252 61 G HA3 -0.430 3.512 3.960 -0.030 0.000 0.252 61 G C -0.511 174.391 174.900 0.005 0.000 1.085 61 G CA -0.256 44.877 45.100 0.055 0.000 0.845 61 G HN -0.750 7.466 8.290 0.177 0.181 0.494 62 F N -1.829 118.131 119.950 0.016 0.000 2.514 62 F HA -0.397 4.137 4.527 0.011 0.000 0.307 62 F C -2.018 173.788 175.800 0.011 0.000 0.990 62 F CA 1.041 59.045 58.000 0.007 0.000 1.229 62 F CB -0.042 38.950 39.000 -0.013 0.000 0.932 62 F HN -0.719 7.873 8.300 0.486 0.000 0.639 63 V N -0.455 119.370 119.914 -0.148 0.000 4.732 63 V HA 0.208 4.031 4.120 -0.494 0.000 0.145 63 V C -0.912 175.149 176.094 -0.054 0.000 1.249 63 V CA 0.095 62.245 62.300 -0.250 0.000 1.164 63 V CB 2.127 33.850 31.823 -0.167 0.000 1.415 63 V HN -0.134 8.119 8.190 0.104 0.000 0.617 64 R N -0.323 120.156 120.500 -0.036 0.000 2.569 64 R HA 0.276 4.657 4.340 0.068 0.000 0.293 64 R C -1.847 174.460 176.300 0.012 0.000 1.186 64 R CA -0.694 55.395 56.100 -0.018 0.000 0.956 64 R CB 2.222 32.434 30.300 -0.146 0.000 1.196 64 R HN -0.082 8.152 8.270 -0.061 0.000 0.444 65 L N 4.859 126.153 121.223 0.119 0.000 2.305 65 L HA 0.398 4.981 4.340 0.151 -0.152 0.281 65 L C -1.506 175.469 176.870 0.176 0.000 1.085 65 L CA -1.073 53.865 54.840 0.164 0.000 0.813 65 L CB 1.655 43.852 42.059 0.231 0.000 1.157 65 L HN 0.161 8.482 8.230 0.151 0.000 0.436 66 I N 5.440 126.124 120.570 0.190 0.000 2.533 66 I HA 0.551 5.042 4.170 0.249 -0.171 0.290 66 I C -1.859 174.334 176.117 0.127 0.000 1.056 66 I CA -0.756 60.690 61.300 0.242 0.000 1.057 66 I CB 3.403 41.621 38.000 0.364 0.000 1.240 66 I HN -0.365 7.949 8.210 0.173 0.000 0.423 67 I N 5.063 125.703 120.570 0.116 0.000 2.722 67 I HA 0.836 5.075 4.170 -0.211 -0.196 0.295 67 I C -2.767 173.418 176.117 0.113 0.000 1.161 67 I CA -2.262 59.055 61.300 0.029 0.000 1.032 67 I CB 4.219 42.287 38.000 0.112 0.000 1.244 67 I HN 0.609 8.928 8.210 0.183 0.000 0.421 68 Q N 5.383 125.223 119.800 0.066 0.000 2.541 68 Q HA 0.210 4.525 4.340 -0.042 0.000 0.259 68 Q C -2.524 173.494 176.000 0.030 0.000 0.974 68 Q CA -0.537 55.237 55.803 -0.047 0.000 0.955 68 Q CB 4.452 33.021 28.738 -0.281 0.000 1.517 68 Q HN -0.044 8.224 8.270 -0.003 0.000 0.412 69 F N -0.386 119.503 119.950 -0.101 0.000 3.250 69 F HA 0.203 4.699 4.527 -0.051 0.000 0.326 69 F C -1.693 174.141 175.800 0.056 0.000 1.154 69 F CA -0.615 57.346 58.000 -0.064 0.000 0.870 69 F CB 1.329 40.240 39.000 -0.149 0.000 1.476 69 F HN 0.058 7.975 8.300 -0.639 0.000 0.491 70 G N 0.770 109.791 108.800 0.369 0.000 2.880 70 G HA2 -0.375 3.761 3.960 0.293 0.000 0.617 70 G HA3 -0.375 3.722 3.960 0.228 0.000 0.617 70 G C -2.512 172.547 174.900 0.264 0.000 1.493 70 G CA 0.603 45.873 45.100 0.284 0.000 0.916 70 G HN -0.267 8.300 8.290 0.463 0.000 0.553 71 R N -0.666 119.974 120.500 0.232 0.000 5.145 71 R HA -0.124 4.341 4.340 0.209 0.000 0.050 71 R C -0.576 175.804 176.300 0.133 0.000 0.753 71 R CA 0.605 56.821 56.100 0.192 0.000 1.635 71 R CB 0.394 30.800 30.300 0.176 0.000 1.308 71 R HN -0.032 8.376 8.270 0.231 0.000 0.414 72 N N 0.225 119.003 118.700 0.131 0.000 2.084 72 N HA -0.246 4.530 4.740 0.060 0.000 0.190 72 N C 0.918 176.491 175.510 0.106 0.000 1.030 72 N CA 2.594 55.704 53.050 0.100 0.000 0.849 72 N CB -0.610 37.940 38.487 0.106 0.000 1.012 72 N HN 0.251 8.716 8.380 0.143 0.000 0.423 73 Y N -1.143 119.191 120.300 0.058 0.000 2.509 73 Y HA -0.125 4.451 4.550 0.042 0.000 0.293 73 Y C -0.623 175.316 175.900 0.066 0.000 1.133 73 Y CA 0.400 58.532 58.100 0.053 0.000 1.283 73 Y CB 0.168 38.657 38.460 0.048 0.000 1.001 73 Y HN -0.275 8.180 8.280 0.292 0.000 0.555 74 S N -3.554 112.257 115.700 0.186 0.000 3.358 74 S HA -0.291 4.282 4.470 0.173 0.000 0.309 74 S C -1.255 173.474 174.600 0.215 0.000 1.247 74 S CA 1.177 59.472 58.200 0.159 0.000 0.961 74 S CB -1.356 61.887 63.200 0.071 0.000 1.074 74 S HN 0.053 8.310 8.310 0.201 0.174 0.625 75 S N -0.869 115.017 115.700 0.309 0.000 3.160 75 S HA -0.332 4.347 4.470 0.348 0.000 0.634 75 S C -0.953 173.834 174.600 0.313 0.000 2.861 75 S CA 1.868 60.250 58.200 0.305 0.000 3.097 75 S CB 0.005 63.278 63.200 0.122 0.000 0.331 75 S HN -0.346 8.136 8.310 0.382 0.057 1.767 76 E N -1.545 118.815 120.200 0.266 0.000 2.820 76 E HA 0.030 4.490 4.350 0.184 0.000 0.210 76 E C -1.047 175.674 176.600 0.201 0.000 1.005 76 E CA 0.054 56.573 56.400 0.198 0.000 1.678 76 E CB 1.789 31.579 29.700 0.149 0.000 2.013 76 E HN 0.014 8.505 8.360 0.219 0.000 1.011 77 F N -2.155 117.728 119.950 -0.112 0.000 2.057 77 F HA -0.258 4.212 4.527 -0.095 0.000 0.347 77 F C -0.055 175.608 175.800 -0.228 0.000 1.113 77 F CA -0.160 57.754 58.000 -0.142 0.000 1.166 77 F CB -0.493 38.443 39.000 -0.106 0.000 1.782 77 F HN -0.155 8.102 8.300 -0.072 0.000 0.743 78 E N 7.606 127.778 120.200 -0.048 0.000 2.651 78 E HA -0.232 4.101 4.350 -0.028 0.000 0.236 78 E C -0.515 176.128 176.600 0.071 0.000 1.422 78 E CA -0.380 56.012 56.400 -0.014 0.000 1.534 78 E CB -1.079 28.632 29.700 0.018 0.000 1.381 78 E HN 0.593 8.901 8.360 -0.085 0.000 0.435 79 H N -4.264 114.884 119.070 0.130 0.000 2.557 79 H HA -0.354 4.249 4.556 0.079 0.000 0.319 79 H C 0.217 175.575 175.328 0.050 0.000 1.102 79 H CA 0.934 57.029 56.048 0.079 0.000 1.126 79 H CB -2.548 27.241 29.762 0.046 0.000 1.498 79 H HN 0.524 8.438 8.280 -0.394 0.130 0.411 80 L N -2.915 118.389 121.223 0.134 0.000 2.083 80 L HA -0.296 4.095 4.340 0.084 0.000 0.209 80 L C 2.079 178.985 176.870 0.060 0.000 1.083 80 L CA 3.216 58.114 54.840 0.096 0.000 0.752 80 L CB -0.241 41.881 42.059 0.105 0.000 0.899 80 L HN -0.223 8.098 8.230 0.153 0.001 0.433 81 V N -0.838 119.077 119.914 0.002 0.000 2.261 81 V HA -0.566 3.536 4.120 -0.029 0.000 0.246 81 V C 2.064 178.141 176.094 -0.028 0.000 1.047 81 V CA 4.095 66.343 62.300 -0.087 0.000 1.015 81 V CB -0.556 31.010 31.823 -0.428 0.000 0.642 81 V HN -0.339 7.842 8.190 0.004 0.011 0.446 82 Q N -2.232 117.565 119.800 -0.004 0.000 2.123 82 Q HA -0.374 3.966 4.340 -0.000 0.000 0.199 82 Q C 2.306 178.322 176.000 0.026 0.000 0.966 82 Q CA 2.929 58.739 55.803 0.012 0.000 0.845 82 Q CB -0.447 28.299 28.738 0.013 0.000 0.907 82 Q HN -0.011 8.266 8.270 0.011 0.000 0.439 83 E N 0.589 120.819 120.200 0.050 0.000 2.058 83 E HA -0.288 4.083 4.350 0.035 0.000 0.194 83 E C 2.065 178.684 176.600 0.032 0.000 0.997 83 E CA 2.472 58.899 56.400 0.045 0.000 0.801 83 E CB 0.000 29.737 29.700 0.062 0.000 0.746 83 E HN 0.000 8.299 8.360 0.075 0.106 0.450 84 R N -4.452 116.068 120.500 0.034 0.000 2.276 84 R HA -0.024 4.331 4.340 0.026 0.000 0.203 84 R C 0.170 176.485 176.300 0.025 0.000 1.017 84 R CA 0.082 56.200 56.100 0.030 0.000 1.010 84 R CB 0.578 30.901 30.300 0.039 0.000 0.900 84 R HN -0.428 7.866 8.270 0.040 0.000 0.469 85 G N -1.717 107.097 108.800 0.023 0.000 2.370 85 G HA2 -0.264 3.774 3.960 0.017 0.000 0.268 85 G HA3 -0.264 3.707 3.960 0.018 0.000 0.268 85 G C -0.341 174.577 174.900 0.030 0.000 1.122 85 G CA -0.318 44.794 45.100 0.021 0.000 0.963 85 G HN -0.679 7.433 8.290 0.023 0.192 0.500 86 G N -1.430 107.391 108.800 0.035 0.000 2.563 86 G HA2 0.362 4.477 3.960 0.067 0.000 0.283 86 G HA3 0.362 4.366 3.960 0.073 0.000 0.283 86 G C -1.338 173.604 174.900 0.070 0.000 1.309 86 G CA -0.844 44.293 45.100 0.062 0.000 1.022 86 G HN 0.159 8.354 8.290 0.022 0.109 0.501 87 Q N -0.785 119.080 119.800 0.108 0.000 2.310 87 Q HA 0.154 4.541 4.340 0.080 0.000 0.270 87 Q C -0.623 175.474 176.000 0.161 0.000 1.025 87 Q CA -1.211 54.654 55.803 0.102 0.000 0.772 87 Q CB 2.784 31.565 28.738 0.073 0.000 1.253 87 Q HN -0.298 8.054 8.270 0.136 0.000 0.450 88 R N 6.449 127.047 120.500 0.162 0.000 2.242 88 R HA 0.125 4.828 4.340 0.353 -0.151 0.334 88 R C 0.259 176.615 176.300 0.093 0.000 1.071 88 R CA 0.220 56.444 56.100 0.208 0.000 0.922 88 R CB -0.281 30.131 30.300 0.187 0.000 1.023 88 R HN 0.516 8.856 8.270 0.117 0.000 0.458 89 E N 5.367 125.595 120.200 0.046 0.000 2.408 89 E HA -0.087 4.273 4.350 0.017 0.000 0.289 89 E C 0.097 176.691 176.600 -0.011 0.000 0.770 89 E CA 0.509 56.911 56.400 0.005 0.000 1.717 89 E CB 0.569 30.255 29.700 -0.024 0.000 1.271 89 E HN -0.395 7.989 8.360 0.039 0.000 0.567 90 S N 1.080 116.755 115.700 -0.042 0.000 3.555 90 S HA -0.331 4.119 4.470 -0.035 0.000 0.420 90 S C -0.124 174.461 174.600 -0.026 0.000 0.955 90 S CA 0.289 58.464 58.200 -0.043 0.000 1.808 90 S CB 0.023 63.180 63.200 -0.071 0.000 1.057 90 S HN -0.389 8.064 8.310 -0.060 -0.179 0.617 91 Q N 5.084 124.877 119.800 -0.011 0.000 2.364 91 Q HA -0.176 4.170 4.340 0.009 0.000 0.263 91 Q C -0.636 175.359 176.000 -0.008 0.000 1.276 91 Q CA 0.872 56.674 55.803 -0.002 0.000 0.923 91 Q CB -0.652 28.086 28.738 0.000 0.000 1.477 91 Q HN 0.230 8.493 8.270 -0.012 0.000 0.484 92 K N 5.865 126.261 120.400 -0.008 0.000 2.690 92 K HA 0.217 4.530 4.320 -0.012 0.000 0.305 92 K C -2.371 174.220 176.600 -0.015 0.000 1.200 92 K CA 0.262 56.540 56.287 -0.015 0.000 1.071 92 K CB 1.818 34.303 32.500 -0.026 0.000 1.366 92 K HN 0.029 8.280 8.250 0.001 0.000 0.513 93 I N 0.762 121.327 120.570 -0.008 0.000 2.714 93 I HA 0.579 4.735 4.170 -0.023 0.000 0.276 93 I C -2.333 173.778 176.117 -0.009 0.000 1.196 93 I CA -2.868 58.428 61.300 -0.008 0.000 1.068 93 I CB 0.110 38.119 38.000 0.014 0.000 1.291 93 I HN 0.264 8.471 8.210 -0.005 0.000 0.530 94 P HA -0.119 4.294 4.420 -0.013 0.000 0.205 94 P C 0.504 177.800 177.300 -0.007 0.000 1.181 94 P CA 1.917 65.007 63.100 -0.016 0.000 0.933 94 P CB 0.102 31.787 31.700 -0.026 0.000 0.775 95 I N -9.221 111.345 120.570 -0.007 0.000 3.735 95 I HA -0.031 4.144 4.170 0.009 0.000 0.310 95 I C -1.088 175.044 176.117 0.026 0.000 1.270 95 I CA -0.256 61.048 61.300 0.008 0.000 1.207 95 I CB 0.104 38.108 38.000 0.007 0.000 1.013 95 I HN -0.431 7.768 8.210 -0.017 0.000 0.452 96 D N -0.626 119.786 120.400 0.020 0.000 3.996 96 D HA -0.419 4.237 4.640 0.027 0.000 0.140 96 D C 0.839 177.174 176.300 0.058 0.000 0.829 96 D CA 1.636 55.660 54.000 0.040 0.000 1.111 96 D CB -1.244 39.592 40.800 0.060 0.000 0.516 96 D HN -0.356 7.820 8.370 0.005 0.197 0.517 97 Q N -0.588 119.289 119.800 0.128 0.000 2.568 97 Q HA -0.562 3.906 4.340 0.212 0.000 0.445 97 Q C -0.658 175.396 176.000 0.090 0.000 0.761 97 Q CA 2.702 58.588 55.803 0.139 0.000 1.001 97 Q CB -0.415 28.395 28.738 0.121 0.000 1.716 97 Q HN 0.325 8.692 8.270 0.161 0.000 1.044 98 F N -2.430 117.448 119.950 -0.121 0.000 2.817 98 F HA 0.162 4.466 4.527 -0.372 0.000 0.333 98 F C -0.520 175.183 175.800 -0.161 0.000 1.085 98 F CA -0.929 56.887 58.000 -0.306 0.000 1.170 98 F CB 1.779 40.436 39.000 -0.573 0.000 1.066 98 F HN -0.660 7.722 8.300 0.135 0.000 0.564 99 G N 1.110 109.826 108.800 -0.139 0.000 2.363 99 G HA2 -0.414 3.506 3.960 -0.067 0.000 0.286 99 G HA3 -0.414 3.433 3.960 -0.188 0.000 0.286 99 G C 0.477 175.292 174.900 -0.141 0.000 0.975 99 G CA 0.673 45.683 45.100 -0.150 0.000 1.309 99 G HN -0.054 8.229 8.290 -0.012 0.000 0.491 100 C N -0.276 119.047 119.300 0.038 0.000 2.429 100 C HA -0.302 4.416 4.460 0.431 0.000 0.277 100 C C 1.995 176.874 174.990 -0.184 0.000 1.262 100 C CA 2.769 61.871 59.018 0.140 0.000 1.733 100 C CB 0.237 28.071 27.740 0.156 0.000 2.010 100 C HN 0.317 8.590 8.230 0.072 0.000 0.483 101 G N -1.794 106.903 108.800 -0.173 0.000 3.375 101 G HA2 -0.072 3.668 3.960 -0.366 0.000 0.247 101 G HA3 -0.072 3.793 3.960 -0.159 0.000 0.247 101 G C -1.935 172.872 174.900 -0.156 0.000 1.343 101 G CA -0.311 44.654 45.100 -0.226 0.000 1.368 101 G HN -0.042 8.191 8.290 -0.094 0.000 0.549 102 D N -0.382 119.948 120.400 -0.117 0.000 2.990 102 D HA 0.171 4.786 4.640 -0.042 0.000 0.227 102 D C -0.137 176.204 176.300 0.068 0.000 1.249 102 D CA -0.239 53.735 54.000 -0.042 0.000 0.891 102 D CB 2.571 43.330 40.800 -0.068 0.000 1.647 102 D HN -0.628 7.535 8.370 -0.118 0.137 0.530 103 T N -0.292 114.322 114.554 0.100 0.000 3.122 103 T HA 0.070 4.621 4.350 0.336 0.000 0.250 103 T C 0.179 174.942 174.700 0.105 0.000 1.067 103 T CA -0.212 62.012 62.100 0.207 0.000 0.966 103 T CB 0.041 69.045 68.868 0.227 0.000 1.002 103 T HN 0.192 8.462 8.240 0.050 0.000 0.542 104 A N 2.592 125.415 122.820 0.004 0.000 3.249 104 A HA 0.184 4.461 4.320 -0.073 0.000 0.297 104 A C -1.357 176.146 177.584 -0.135 0.000 1.302 104 A CA -0.857 51.142 52.037 -0.063 0.000 1.074 104 A CB -0.002 18.964 19.000 -0.056 0.000 1.132 104 A HN 0.057 8.446 8.150 -0.004 -0.241 0.575 105 R N 0.495 120.882 120.500 -0.188 0.000 2.288 105 R HA 0.257 4.349 4.340 -0.412 0.000 0.326 105 R C -1.638 174.295 176.300 -0.611 0.000 0.959 105 R CA -1.358 54.494 56.100 -0.413 0.000 0.834 105 R CB 0.984 31.046 30.300 -0.396 0.000 1.157 105 R HN -0.521 7.636 8.270 -0.098 0.055 0.470 106 Q N 2.665 121.901 119.800 -0.940 0.000 2.263 106 Q HA 0.655 4.799 4.340 -0.578 -0.150 0.262 106 Q C -1.800 173.740 176.000 -0.768 0.000 0.984 106 Q CA -0.799 54.588 55.803 -0.692 0.000 0.813 106 Q CB 3.319 31.885 28.738 -0.287 0.000 1.299 106 Q HN 0.492 8.185 8.270 -0.962 0.000 0.428 107 Y N 0.888 121.216 120.300 0.046 0.000 2.545 107 Y HA 0.721 5.483 4.550 0.037 -0.190 0.348 107 Y C -1.314 174.623 175.900 0.062 0.000 1.002 107 Y CA -2.631 55.500 58.100 0.051 0.000 1.039 107 Y CB 3.717 42.217 38.460 0.066 0.000 1.271 107 Y HN 1.062 9.045 8.280 -0.315 0.108 0.467 108 V N -4.044 115.993 119.914 0.204 0.000 2.823 108 V HA 0.961 5.378 4.120 0.130 -0.219 0.312 108 V C -1.821 174.340 176.094 0.111 0.000 1.072 108 V CA -2.915 59.464 62.300 0.131 0.000 0.937 108 V CB 3.355 35.231 31.823 0.089 0.000 1.013 108 V HN -0.078 8.244 8.190 0.220 0.000 0.430 109 L N 2.525 123.795 121.223 0.078 0.000 2.325 109 L HA 0.401 4.774 4.340 0.056 0.000 0.278 109 L C 0.803 177.683 176.870 0.016 0.000 1.023 109 L CA -0.918 53.950 54.840 0.047 0.000 0.811 109 L CB 1.699 43.779 42.059 0.035 0.000 1.249 109 L HN -0.206 8.066 8.230 0.072 0.000 0.431 110 M N 1.694 121.301 119.600 0.012 0.000 7.293 110 M HA -0.455 4.027 4.480 0.003 0.000 0.219 110 M C -1.120 175.185 176.300 0.009 0.000 0.480 110 M CA 2.473 57.773 55.300 0.000 0.000 1.307 110 M CB -0.536 32.049 32.600 -0.024 0.000 0.447 110 M HN 0.434 8.735 8.290 0.019 0.000 0.306 111 N N -0.679 118.024 118.700 0.006 0.000 3.111 111 N HA 0.086 4.842 4.740 0.027 0.000 0.200 111 N C -0.484 175.042 175.510 0.027 0.000 1.464 111 N CA 0.423 53.484 53.050 0.019 0.000 0.758 111 N CB 0.820 39.316 38.487 0.015 0.000 1.548 111 N HN 0.018 8.373 8.380 -0.008 0.020 0.595 112 G N 0.795 109.620 108.800 0.041 0.000 2.168 112 G HA2 -0.401 3.604 3.960 0.076 0.000 0.263 112 G HA3 -0.401 3.604 3.960 0.075 0.000 0.263 112 G C -0.929 174.013 174.900 0.071 0.000 0.977 112 G CA 0.884 46.025 45.100 0.067 0.000 0.659 112 G HN 0.116 8.431 8.290 0.043 0.000 0.533 113 K N -0.157 120.236 120.400 -0.012 0.000 1.964 113 K HA -0.254 3.919 4.320 -0.244 0.000 0.218 113 K C -0.274 176.219 176.600 -0.178 0.000 1.043 113 K CA 2.254 58.436 56.287 -0.175 0.000 0.966 113 K CB 0.636 33.014 32.500 -0.202 0.000 0.739 113 K HN -0.450 7.726 8.250 -0.009 0.069 0.443 114 L N -0.513 120.665 121.223 -0.074 0.000 2.282 114 L HA 0.138 4.513 4.340 0.058 0.000 0.288 114 L C -1.700 175.238 176.870 0.114 0.000 1.033 114 L CA -1.093 53.764 54.840 0.028 0.000 0.807 114 L CB 1.245 43.321 42.059 0.029 0.000 1.209 114 L HN -0.444 7.752 8.230 -0.055 0.000 0.423 115 K N 5.715 126.211 120.400 0.160 0.000 2.347 115 K HA 0.301 4.854 4.320 0.132 -0.154 0.262 115 K C -1.200 175.500 176.600 0.167 0.000 1.052 115 K CA -1.056 55.319 56.287 0.147 0.000 0.946 115 K CB 0.642 33.221 32.500 0.132 0.000 1.220 115 K HN 0.296 8.662 8.250 0.193 0.000 0.450 116 V N 6.522 126.553 119.914 0.196 0.000 2.364 116 V HA 0.038 4.298 4.120 0.235 0.000 0.272 116 V C -1.540 174.641 176.094 0.145 0.000 1.036 116 V CA -0.160 62.289 62.300 0.247 0.000 0.880 116 V CB 0.828 32.881 31.823 0.383 0.000 0.991 116 V HN 0.496 8.812 8.190 0.210 0.000 0.460 117 I N 5.993 126.650 120.570 0.144 0.000 2.686 117 I HA 0.649 4.916 4.170 -0.127 -0.172 0.295 117 I C -1.625 174.622 176.117 0.217 0.000 1.114 117 I CA -1.563 59.788 61.300 0.086 0.000 1.038 117 I CB 4.426 42.505 38.000 0.133 0.000 1.238 117 I HN -0.297 8.032 8.210 0.199 0.000 0.420 118 G N 2.943 111.847 108.800 0.174 0.000 2.723 118 G HA2 0.485 4.568 3.960 0.091 0.000 0.295 118 G HA3 0.485 4.520 3.960 0.083 -0.025 0.295 118 G C -2.282 172.735 174.900 0.196 0.000 1.464 118 G CA -0.559 44.621 45.100 0.134 0.000 1.012 118 G HN 0.262 8.576 8.290 0.040 0.000 0.522 119 F N -0.958 118.967 119.950 -0.042 0.000 2.526 119 F HA 0.430 5.014 4.527 0.095 0.000 0.379 119 F C -2.775 173.045 175.800 0.035 0.000 1.506 119 F CA -2.298 55.717 58.000 0.025 0.000 1.076 119 F CB 0.220 39.241 39.000 0.034 0.000 1.746 119 F HN -0.062 7.981 8.300 -0.428 0.000 0.520 120 D N -1.246 118.930 120.400 -0.374 0.000 2.795 120 D HA -0.025 4.629 4.640 0.023 0.000 0.206 120 D C -2.145 173.866 176.300 -0.483 0.000 1.278 120 D CA -0.666 53.172 54.000 -0.269 0.000 0.839 120 D CB 3.427 44.000 40.800 -0.379 0.000 1.700 120 D HN -0.607 7.392 8.370 -0.617 0.000 0.549 121 F N 1.867 121.833 119.950 0.026 0.000 2.552 121 F HA 0.181 4.754 4.527 0.076 0.000 0.369 121 F C 0.126 175.952 175.800 0.043 0.000 1.112 121 F CA -1.283 56.748 58.000 0.052 0.000 1.129 121 F CB 1.007 40.036 39.000 0.049 0.000 1.360 121 F HN -0.094 8.413 8.300 0.345 0.000 0.473 122 S N -0.983 114.798 115.700 0.136 0.000 3.420 122 S HA -0.480 4.033 4.470 0.072 0.000 0.367 122 S C -0.422 174.216 174.600 0.064 0.000 1.063 122 S CA 1.419 59.674 58.200 0.092 0.000 1.073 122 S CB -0.889 62.369 63.200 0.097 0.000 0.905 122 S HN 0.608 8.972 8.310 0.089 0.000 0.485 123 T N -3.756 110.842 114.554 0.074 0.000 3.641 123 T HA 0.111 4.483 4.350 0.036 0.000 0.313 123 T C -0.918 173.814 174.700 0.053 0.000 0.952 123 T CA 0.091 62.229 62.100 0.063 0.000 1.004 123 T CB -0.119 68.806 68.868 0.094 0.000 1.209 123 T HN -0.383 7.870 8.240 0.080 0.036 0.493 124 K N -1.388 119.018 120.400 0.010 0.000 2.343 124 K HA 0.095 4.416 4.320 0.001 0.000 0.168 124 K C 0.027 176.555 176.600 -0.119 0.000 1.857 124 K CA 0.574 56.844 56.287 -0.028 0.000 1.014 124 K CB 0.472 32.959 32.500 -0.022 0.000 1.735 124 K HN -0.098 8.152 8.250 -0.000 0.000 0.527 125 M N 0.146 119.667 119.600 -0.130 0.000 2.113 125 M HA -0.491 3.712 4.480 -0.461 0.000 0.255 125 M C 1.629 177.764 176.300 -0.275 0.000 1.073 125 M CA 4.449 59.593 55.300 -0.261 0.000 1.091 125 M CB -0.444 32.100 32.600 -0.094 0.000 1.309 125 M HN 0.049 8.301 8.290 -0.063 0.000 0.407 126 Q N -3.597 116.130 119.800 -0.122 0.000 2.234 126 Q HA -0.305 3.981 4.340 -0.089 0.000 0.206 126 Q C 2.468 178.418 176.000 -0.083 0.000 0.980 126 Q CA 2.891 58.647 55.803 -0.078 0.000 0.869 126 Q CB -0.983 27.753 28.738 -0.004 0.000 0.912 126 Q HN 0.505 8.734 8.270 -0.068 0.000 0.436 127 S N 0.587 116.239 115.700 -0.080 0.000 2.383 127 S HA -0.233 4.217 4.470 -0.032 0.000 0.227 127 S C 2.106 176.666 174.600 -0.068 0.000 1.026 127 S CA 2.921 61.091 58.200 -0.050 0.000 0.981 127 S CB -0.222 62.972 63.200 -0.010 0.000 0.818 127 S HN -0.193 7.896 8.310 -0.083 0.171 0.472 128 I N 1.038 121.522 120.570 -0.142 0.000 2.233 128 I HA -0.343 3.862 4.170 0.057 0.000 0.243 128 I C 1.621 177.722 176.117 -0.028 0.000 1.093 128 I CA 1.886 63.133 61.300 -0.089 0.000 1.380 128 I CB -0.950 36.852 38.000 -0.330 0.000 1.067 128 I HN -0.408 7.571 8.210 -0.226 0.096 0.413 129 I N -0.019 120.469 120.570 -0.137 0.000 2.113 129 I HA -0.609 3.587 4.170 0.044 0.000 0.238 129 I C 1.830 177.949 176.117 0.004 0.000 1.070 129 I CA 4.366 65.645 61.300 -0.034 0.000 1.332 129 I CB -0.325 37.634 38.000 -0.067 0.000 1.044 129 I HN -0.437 7.619 8.210 -0.257 0.000 0.402 130 R N -1.680 118.798 120.500 -0.036 0.000 2.119 130 R HA -0.395 3.935 4.340 -0.017 0.000 0.246 130 R C 1.510 177.764 176.300 -0.078 0.000 1.146 130 R CA 2.898 58.975 56.100 -0.038 0.000 0.962 130 R CB -0.985 29.290 30.300 -0.041 0.000 0.863 130 R HN -0.453 7.785 8.270 -0.053 0.000 0.442 131 D N -2.138 118.170 120.400 -0.153 0.000 2.104 131 D HA -0.220 4.264 4.640 -0.259 0.000 0.194 131 D C 1.022 177.059 176.300 -0.438 0.000 0.994 131 D CA 2.471 56.262 54.000 -0.348 0.000 0.830 131 D CB 0.246 40.725 40.800 -0.535 0.000 0.959 131 D HN -0.435 7.854 8.370 -0.123 0.007 0.452 132 Y N -3.449 116.866 120.300 0.026 0.000 2.331 132 Y HA -0.075 4.495 4.550 0.035 0.000 0.282 132 Y C -0.567 175.353 175.900 0.033 0.000 1.140 132 Y CA 1.131 59.253 58.100 0.037 0.000 1.198 132 Y CB 1.228 39.723 38.460 0.059 0.000 1.159 132 Y HN -0.844 7.394 8.280 -0.070 0.000 0.512 133 S N -0.948 114.880 115.700 0.213 0.000 3.488 133 S HA -0.299 4.245 4.470 0.123 0.000 0.492 133 S C -1.101 173.577 174.600 0.130 0.000 0.779 133 S CA 0.842 59.120 58.200 0.130 0.000 1.378 133 S CB -1.291 61.953 63.200 0.072 0.000 0.924 133 S HN -0.097 8.373 8.310 0.267 0.000 0.719 134 D N 0.381 120.864 120.400 0.140 0.000 2.119 134 D HA 0.055 4.757 4.640 0.103 0.000 0.311 134 D C -1.942 174.432 176.300 0.124 0.000 1.155 134 D CA 0.594 54.667 54.000 0.120 0.000 1.036 134 D CB 2.192 43.063 40.800 0.119 0.000 1.855 134 D HN 0.008 8.470 8.370 0.154 0.000 0.523 135 L N -2.250 119.057 121.223 0.140 0.000 2.592 135 L HA 0.396 4.819 4.340 0.138 0.000 0.258 135 L C -2.475 174.493 176.870 0.163 0.000 0.926 135 L CA -0.376 54.551 54.840 0.145 0.000 0.885 135 L CB 3.216 45.367 42.059 0.155 0.000 1.380 135 L HN -0.363 7.957 8.230 0.150 0.000 0.415 136 V N -0.483 119.525 119.914 0.157 0.000 2.925 136 V HA 0.732 5.107 4.120 0.209 -0.129 0.311 136 V C -2.230 173.928 176.094 0.107 0.000 1.104 136 V CA -2.423 59.986 62.300 0.182 0.000 0.954 136 V CB 3.716 35.689 31.823 0.250 0.000 1.022 136 V HN -0.026 8.247 8.190 0.139 0.000 0.427 137 I N 4.963 125.563 120.570 0.049 0.000 2.428 137 I HA 0.370 4.546 4.170 0.010 0.000 0.279 137 I C -0.946 175.145 176.117 -0.044 0.000 1.040 137 I CA -1.109 60.184 61.300 -0.011 0.000 1.171 137 I CB 0.797 38.768 38.000 -0.048 0.000 1.312 137 I HN 0.790 8.910 8.210 0.033 0.110 0.470 138 S N 6.282 121.981 115.700 -0.002 0.000 2.429 138 S HA 0.529 5.025 4.470 0.043 0.000 0.302 138 S C 1.104 175.710 174.600 0.011 0.000 1.115 138 S CA -2.229 55.985 58.200 0.025 0.000 1.095 138 S CB 1.382 64.596 63.200 0.023 0.000 0.987 138 S HN 0.223 8.537 8.310 0.007 0.000 0.474 139 H N 3.760 122.730 119.070 -0.167 0.000 2.387 139 H HA -0.308 4.306 4.556 -0.160 -0.154 0.299 139 H C -0.075 175.158 175.328 -0.158 0.000 1.090 139 H CA 2.348 58.292 56.048 -0.172 0.000 1.332 139 H CB 0.342 29.977 29.762 -0.212 0.000 1.386 139 H HN -0.201 8.293 8.280 0.358 0.000 0.516 140 A N -5.111 117.206 122.820 -0.838 0.000 2.374 140 A HA 0.039 4.086 4.320 -0.455 0.000 0.212 140 A C -1.546 175.756 177.584 -0.469 0.000 1.747 140 A CA -0.117 51.515 52.037 -0.676 0.000 1.235 140 A CB 0.294 18.853 19.000 -0.735 0.000 0.997 140 A HN -0.073 7.634 8.150 -0.712 0.016 0.456 141 G N -0.216 108.412 108.800 -0.286 0.000 2.209 141 G HA2 -0.207 3.736 3.960 -0.030 0.000 0.271 141 G HA3 -0.207 3.777 3.960 0.039 0.000 0.271 141 G C 0.724 175.583 174.900 -0.069 0.000 1.111 141 G CA 0.643 45.705 45.100 -0.063 0.000 1.092 141 G HN 0.033 8.194 8.290 -0.214 0.000 0.416 142 T N 6.442 120.970 114.554 -0.042 0.000 2.720 142 T HA -0.374 3.964 4.350 -0.019 0.000 0.268 142 T C 1.831 176.557 174.700 0.044 0.000 1.037 142 T CA 4.546 66.649 62.100 0.006 0.000 1.144 142 T CB -0.063 68.831 68.868 0.043 0.000 0.864 142 T HN -0.268 7.951 8.240 -0.036 0.000 0.444 143 G N 1.182 110.008 108.800 0.043 0.000 2.414 143 G HA2 -0.244 3.752 3.960 0.058 0.000 0.215 143 G HA3 -0.244 3.746 3.960 0.049 0.000 0.215 143 G C 1.148 176.085 174.900 0.061 0.000 1.188 143 G CA 1.261 46.393 45.100 0.054 0.000 0.783 143 G HN 0.295 8.607 8.290 0.037 0.000 0.537 144 S N 2.420 118.162 115.700 0.070 0.000 2.359 144 S HA -0.384 4.148 4.470 0.104 0.000 0.223 144 S C 2.160 176.803 174.600 0.073 0.000 1.039 144 S CA 4.013 62.271 58.200 0.097 0.000 1.042 144 S CB -0.441 62.846 63.200 0.145 0.000 0.915 144 S HN -0.283 8.069 8.310 0.071 0.000 0.439 145 I N 0.542 121.129 120.570 0.028 0.000 2.454 145 I HA -0.378 3.807 4.170 0.026 0.000 0.254 145 I C 1.757 177.926 176.117 0.088 0.000 1.156 145 I CA 3.244 64.552 61.300 0.013 0.000 1.433 145 I CB -0.392 37.517 38.000 -0.152 0.000 1.082 145 I HN 0.033 8.242 8.210 -0.002 0.000 0.432 146 L N 0.786 122.067 121.223 0.097 0.000 1.990 146 L HA -0.458 3.974 4.340 0.152 0.000 0.213 146 L C 1.715 178.630 176.870 0.076 0.000 1.072 146 L CA 3.603 58.507 54.840 0.106 0.000 0.755 146 L CB -1.371 40.736 42.059 0.079 0.000 0.889 146 L HN -0.661 7.475 8.230 0.076 0.139 0.432 147 D N -1.644 118.792 120.400 0.061 0.000 2.084 147 D HA -0.308 4.351 4.640 0.032 0.000 0.194 147 D C 2.738 179.075 176.300 0.062 0.000 0.990 147 D CA 3.358 57.386 54.000 0.047 0.000 0.826 147 D CB -0.815 40.007 40.800 0.037 0.000 0.971 147 D HN -0.661 7.746 8.370 0.061 0.000 0.453 148 S N -0.212 115.535 115.700 0.078 0.000 2.420 148 S HA -0.277 4.246 4.470 0.088 0.000 0.237 148 S C 2.139 176.801 174.600 0.104 0.000 1.023 148 S CA 2.739 60.994 58.200 0.093 0.000 0.991 148 S CB -0.182 63.079 63.200 0.101 0.000 0.792 148 S HN -0.706 7.651 8.310 0.078 0.000 0.488 149 L N 1.339 122.632 121.223 0.115 0.000 2.023 149 L HA -0.200 4.234 4.340 0.157 0.000 0.205 149 L C 2.325 179.251 176.870 0.094 0.000 1.073 149 L CA 2.616 57.538 54.840 0.138 0.000 0.745 149 L CB -0.944 41.226 42.059 0.184 0.000 0.900 149 L HN -0.142 8.000 8.230 0.110 0.155 0.435 150 R N -0.634 119.902 120.500 0.059 0.000 2.152 150 R HA -0.231 4.124 4.340 0.026 0.000 0.232 150 R C 1.577 177.902 176.300 0.041 0.000 1.117 150 R CA 2.756 58.875 56.100 0.032 0.000 0.981 150 R CB 0.048 30.349 30.300 0.001 0.000 0.870 150 R HN -0.710 7.594 8.270 0.057 0.000 0.451 151 L N -2.865 118.389 121.223 0.053 0.000 2.653 151 L HA 0.112 4.479 4.340 0.045 0.000 0.232 151 L C -1.572 175.340 176.870 0.070 0.000 1.169 151 L CA -0.608 54.265 54.840 0.055 0.000 0.951 151 L CB -0.863 41.230 42.059 0.056 0.000 1.181 151 L HN -0.422 7.811 8.230 0.060 0.033 0.460 152 N N -4.273 114.475 118.700 0.080 0.000 2.666 152 N HA -0.533 4.326 4.740 0.105 -0.056 0.248 152 N C -0.915 174.658 175.510 0.105 0.000 1.118 152 N CA 1.182 54.288 53.050 0.093 0.000 0.722 152 N CB -2.347 36.188 38.487 0.080 0.000 1.050 152 N HN -0.225 7.999 8.380 0.077 0.202 0.550 153 K N -1.247 119.217 120.400 0.108 0.000 2.349 153 K HA 0.189 4.575 4.320 0.109 0.000 0.288 153 K C -2.026 174.660 176.600 0.142 0.000 1.058 153 K CA -1.957 54.399 56.287 0.116 0.000 0.953 153 K CB 0.585 33.150 32.500 0.108 0.000 0.997 153 K HN -0.265 7.995 8.250 0.101 0.050 0.477 154 P HA 0.107 4.678 4.420 0.250 0.000 0.280 154 P C -1.552 175.858 177.300 0.185 0.000 1.300 154 P CA -0.426 62.801 63.100 0.211 0.000 0.785 154 P CB 0.141 31.972 31.700 0.219 0.000 0.874 155 L N -1.032 120.308 121.223 0.195 0.000 2.271 155 L HA 0.383 4.793 4.340 0.118 0.000 0.265 155 L C -0.653 176.312 176.870 0.158 0.000 1.013 155 L CA -2.603 52.322 54.840 0.141 0.000 0.820 155 L CB 1.804 43.926 42.059 0.105 0.000 1.352 155 L HN -0.527 7.837 8.230 0.222 0.000 0.443 156 I N -1.001 119.620 120.570 0.085 0.000 2.389 156 I HA 0.098 4.359 4.170 0.152 0.000 0.288 156 I C -0.747 175.384 176.117 0.023 0.000 0.999 156 I CA -0.755 60.588 61.300 0.073 0.000 1.129 156 I CB 1.552 39.559 38.000 0.011 0.000 1.288 156 I HN -0.119 8.127 8.210 0.059 0.000 0.444 157 V N 7.336 127.255 119.914 0.009 0.000 2.385 157 V HA 0.285 4.609 4.120 -0.073 -0.248 0.269 157 V C -0.568 175.492 176.094 -0.057 0.000 1.043 157 V CA -1.394 60.869 62.300 -0.062 0.000 0.906 157 V CB 0.799 32.544 31.823 -0.130 0.000 0.995 157 V HN 0.699 8.920 8.190 0.052 0.000 0.467 158 C N 8.921 128.188 119.300 -0.053 0.000 2.289 158 C HA 0.335 5.037 4.460 -0.044 -0.268 0.340 158 C C -0.537 174.417 174.990 -0.061 0.000 1.152 158 C CA -0.829 58.160 59.018 -0.048 0.000 1.650 158 C CB -0.558 27.151 27.740 -0.052 0.000 2.203 158 C HN 0.331 8.533 8.230 -0.046 0.000 0.511 159 V N 5.227 125.099 119.914 -0.069 0.000 2.686 159 V HA -0.096 3.957 4.120 -0.111 0.000 0.295 159 V C -0.327 175.732 176.094 -0.058 0.000 1.055 159 V CA 0.223 62.474 62.300 -0.081 0.000 1.050 159 V CB 0.842 32.619 31.823 -0.077 0.000 0.984 159 V HN -0.426 7.729 8.190 -0.059 0.000 0.482 160 N N 7.312 125.974 118.700 -0.063 0.000 2.949 160 N HA 0.106 4.822 4.740 -0.039 0.000 0.243 160 N C -0.271 175.215 175.510 -0.040 0.000 1.113 160 N CA -1.128 51.892 53.050 -0.049 0.000 0.980 160 N CB -0.407 38.044 38.487 -0.059 0.000 1.256 160 N HN 0.204 8.534 8.380 -0.082 0.000 0.508 161 D N 0.197 120.582 120.400 -0.026 0.000 2.178 161 D HA -0.205 4.422 4.640 -0.022 0.000 0.201 161 D C 0.831 177.127 176.300 -0.007 0.000 0.980 161 D CA 2.328 56.319 54.000 -0.016 0.000 0.842 161 D CB -0.230 40.566 40.800 -0.008 0.000 0.948 161 D HN -0.282 8.074 8.370 -0.023 0.000 0.472 162 S N -1.053 114.652 115.700 0.007 0.000 2.356 162 S HA -0.207 4.282 4.470 0.031 0.000 0.223 162 S C 0.181 174.795 174.600 0.024 0.000 1.032 162 S CA 1.910 60.132 58.200 0.036 0.000 1.005 162 S CB 0.095 63.353 63.200 0.097 0.000 0.867 162 S HN 0.087 8.381 8.310 0.006 0.020 0.449 163 L N -2.160 119.055 121.223 -0.014 0.000 2.569 163 L HA 0.107 4.426 4.340 -0.036 0.000 0.247 163 L C -1.002 175.833 176.870 -0.058 0.000 1.135 163 L CA -0.009 54.801 54.840 -0.051 0.000 0.812 163 L CB 1.148 43.143 42.059 -0.108 0.000 1.431 163 L HN -0.412 7.804 8.230 -0.023 0.000 0.499 164 M N -4.514 115.037 119.600 -0.082 0.000 1.680 164 M HA 0.035 4.467 4.480 -0.081 0.000 0.338 164 M C -1.064 175.157 176.300 -0.133 0.000 0.832 164 M CA 1.349 56.598 55.300 -0.085 0.000 1.132 164 M CB 1.416 33.983 32.600 -0.056 0.000 2.249 164 M HN 0.028 8.260 8.290 -0.097 0.000 0.827 165 D N -1.363 118.946 120.400 -0.153 0.000 2.264 165 D HA -0.154 4.345 4.640 -0.235 0.000 0.208 165 D C -0.253 175.814 176.300 -0.388 0.000 0.966 165 D CA 1.106 54.966 54.000 -0.234 0.000 0.864 165 D CB -0.827 39.873 40.800 -0.168 0.000 0.933 165 D HN -0.040 8.257 8.370 -0.122 0.000 0.499 166 N N -0.036 118.508 118.700 -0.261 0.000 2.429 166 N HA -0.130 4.482 4.740 -0.214 0.000 0.271 166 N C 1.016 176.384 175.510 -0.237 0.000 1.272 166 N CA 0.617 53.531 53.050 -0.226 0.000 0.921 166 N CB -0.273 38.133 38.487 -0.134 0.000 1.128 166 N HN -0.378 7.846 8.380 -0.192 0.040 0.481 167 H N 5.444 124.493 119.070 -0.034 0.000 2.421 167 H HA -0.301 4.242 4.556 -0.021 0.000 0.298 167 H C 1.710 177.013 175.328 -0.042 0.000 1.087 167 H CA 4.294 60.326 56.048 -0.026 0.000 1.330 167 H CB 0.136 29.891 29.762 -0.012 0.000 1.388 167 H HN 0.506 8.645 8.280 -0.235 0.000 0.526 168 Q N -1.187 118.634 119.800 0.036 0.000 2.061 168 Q HA -0.319 4.007 4.340 -0.022 0.000 0.204 168 Q C 2.594 178.524 176.000 -0.116 0.000 0.984 168 Q CA 3.804 59.570 55.803 -0.061 0.000 0.846 168 Q CB -0.418 28.228 28.738 -0.153 0.000 0.902 168 Q HN 0.399 8.674 8.270 0.041 0.019 0.421 169 Q N -0.985 118.734 119.800 -0.136 0.000 2.084 169 Q HA -0.354 3.881 4.340 -0.176 0.000 0.202 169 Q C 2.075 178.038 176.000 -0.062 0.000 0.978 169 Q CA 3.277 59.002 55.803 -0.131 0.000 0.844 169 Q CB -0.605 28.060 28.738 -0.121 0.000 0.898 169 Q HN -0.354 7.837 8.270 -0.131 0.000 0.426 170 Q N 0.182 119.963 119.800 -0.031 0.000 2.077 170 Q HA -0.304 4.035 4.340 -0.000 0.000 0.206 170 Q C 2.821 178.847 176.000 0.044 0.000 0.989 170 Q CA 2.855 58.664 55.803 0.011 0.000 0.853 170 Q CB -0.521 28.242 28.738 0.042 0.000 0.907 170 Q HN -0.693 7.485 8.270 -0.048 0.064 0.418 171 I N -2.630 117.974 120.570 0.057 0.000 2.493 171 I HA -0.411 3.836 4.170 0.129 0.000 0.254 171 I C 1.241 177.463 176.117 0.175 0.000 1.160 171 I CA 2.684 64.055 61.300 0.117 0.000 1.445 171 I CB -0.420 37.649 38.000 0.115 0.000 1.086 171 I HN -0.425 7.809 8.210 0.041 -0.000 0.433 172 A N 0.287 123.128 122.820 0.035 0.000 1.841 172 A HA -0.303 3.952 4.320 -0.108 0.000 0.214 172 A C 1.914 179.552 177.584 0.090 0.000 1.195 172 A CA 3.094 55.114 52.037 -0.028 0.000 0.611 172 A CB -0.957 17.945 19.000 -0.163 0.000 0.835 172 A HN -0.719 7.236 8.150 -0.014 0.187 0.443 173 D N -1.875 118.546 120.400 0.036 0.000 2.292 173 D HA -0.343 4.304 4.640 0.012 0.000 0.205 173 D C 2.031 178.375 176.300 0.075 0.000 0.994 173 D CA 2.981 57.003 54.000 0.036 0.000 0.897 173 D CB -0.253 40.557 40.800 0.016 0.000 0.907 173 D HN -0.123 8.408 8.370 -0.001 -0.162 0.467 174 K N -1.400 119.076 120.400 0.126 0.000 2.057 174 K HA -0.215 4.131 4.320 0.043 0.000 0.206 174 K C 2.271 178.921 176.600 0.084 0.000 1.050 174 K CA 2.750 59.094 56.287 0.095 0.000 0.935 174 K CB -0.206 32.353 32.500 0.097 0.000 0.715 174 K HN -0.800 7.373 8.250 0.153 0.169 0.439 175 F N -0.684 119.245 119.950 -0.035 0.000 2.095 175 F HA -0.367 4.139 4.527 -0.036 0.000 0.298 175 F C 2.262 178.003 175.800 -0.097 0.000 1.104 175 F CA 3.711 61.679 58.000 -0.053 0.000 1.232 175 F CB -0.392 38.578 39.000 -0.050 0.000 0.987 175 F HN 0.188 8.731 8.300 0.587 0.109 0.475 176 V N -1.544 118.423 119.914 0.087 0.000 2.287 176 V HA -0.611 3.493 4.120 -0.027 0.000 0.248 176 V C 1.930 178.026 176.094 0.003 0.000 1.053 176 V CA 4.138 66.442 62.300 0.007 0.000 1.027 176 V CB -0.272 31.546 31.823 -0.008 0.000 0.646 176 V HN -0.651 7.611 8.190 0.121 0.000 0.447 177 E N -0.804 119.393 120.200 -0.005 0.000 2.114 177 E HA -0.364 3.980 4.350 -0.010 0.000 0.199 177 E C 1.778 178.332 176.600 -0.078 0.000 1.008 177 E CA 2.655 59.037 56.400 -0.029 0.000 0.810 177 E CB 0.006 29.688 29.700 -0.030 0.000 0.739 177 E HN -0.742 7.627 8.360 0.015 0.000 0.456 178 L N -5.279 115.860 121.223 -0.140 0.000 2.156 178 L HA -0.227 3.974 4.340 -0.232 0.000 0.208 178 L C 0.148 176.905 176.870 -0.188 0.000 1.095 178 L CA 1.308 56.004 54.840 -0.241 0.000 0.770 178 L CB 0.348 42.137 42.059 -0.450 0.000 0.914 178 L HN -0.817 7.332 8.230 -0.134 0.001 0.439 179 G N -4.053 104.677 108.800 -0.116 0.000 3.554 179 G HA2 0.061 3.980 3.960 -0.070 0.000 0.168 179 G HA3 0.061 3.959 3.960 -0.103 0.000 0.168 179 G C -2.719 172.204 174.900 0.039 0.000 1.271 179 G CA -0.056 45.002 45.100 -0.070 0.000 1.339 179 G HN -0.684 7.403 8.290 -0.093 0.147 0.731 180 Y N -0.247 119.945 120.300 -0.179 0.000 3.251 180 Y HA 0.096 4.576 4.550 -0.116 0.000 0.216 180 Y C -1.559 174.170 175.900 -0.284 0.000 0.833 180 Y CA -1.231 56.755 58.100 -0.191 0.000 1.144 180 Y CB 0.349 38.682 38.460 -0.212 0.000 1.256 180 Y HN -0.122 8.111 8.280 -0.078 0.000 0.671 181 V N 2.250 121.980 119.914 -0.308 0.000 2.877 181 V HA -0.383 3.522 4.120 -0.359 0.000 0.294 181 V C -0.332 175.523 176.094 -0.398 0.000 1.280 181 V CA 1.147 63.262 62.300 -0.307 0.000 1.372 181 V CB 0.857 32.639 31.823 -0.067 0.000 0.867 181 V HN -0.283 7.814 8.190 -0.154 0.000 0.513 182 W N 8.264 129.504 121.300 -0.099 0.000 2.812 182 W HA -0.148 4.434 4.660 -0.130 0.000 0.366 182 W C -1.188 175.230 176.519 -0.170 0.000 1.373 182 W CA 0.039 57.317 57.345 -0.112 0.000 1.374 182 W CB -1.486 27.963 29.460 -0.019 0.000 1.500 182 W HN 0.516 8.462 8.180 -0.390 0.000 0.568 183 S N 4.007 119.668 115.700 -0.065 0.000 2.454 183 S HA 1.011 5.638 4.470 -0.063 -0.195 0.306 183 S C -0.450 174.141 174.600 -0.015 0.000 1.100 183 S CA -1.621 56.520 58.200 -0.098 0.000 1.087 183 S CB 2.042 65.104 63.200 -0.229 0.000 1.019 183 S HN -0.209 7.984 8.310 -0.196 0.000 0.480 184 C N -0.133 119.166 119.300 -0.002 0.000 3.113 184 C HA 0.359 4.835 4.460 0.027 0.000 0.376 184 C C -2.138 172.849 174.990 -0.006 0.000 1.077 184 C CA -1.838 57.190 59.018 0.017 0.000 1.253 184 C CB 2.474 30.238 27.740 0.040 0.000 1.637 184 C HN 0.305 8.523 8.230 -0.020 0.000 0.535 185 A N 1.939 124.757 122.820 -0.005 0.000 2.304 185 A HA 0.553 4.978 4.320 -0.028 -0.122 0.271 185 A C -1.040 176.533 177.584 -0.019 0.000 1.091 185 A CA -2.058 49.969 52.037 -0.017 0.000 0.812 185 A CB 0.379 19.373 19.000 -0.011 0.000 1.056 185 A HN 0.327 8.481 8.150 0.007 0.000 0.489 186 P HA -0.158 4.240 4.420 -0.037 0.000 0.254 186 P C -1.348 175.939 177.300 -0.021 0.000 1.467 186 P CA 0.303 63.381 63.100 -0.037 0.000 1.281 186 P CB -1.503 30.159 31.700 -0.062 0.000 1.754 187 T N 1.623 116.172 114.554 -0.010 0.000 2.900 187 T HA 0.225 4.572 4.350 -0.005 0.000 0.295 187 T C 0.449 175.150 174.700 0.001 0.000 1.044 187 T CA -1.722 60.376 62.100 -0.003 0.000 0.995 187 T CB 3.726 72.594 68.868 0.000 0.000 1.072 187 T HN -0.280 7.938 8.240 -0.009 0.017 0.473 188 E N 3.630 123.831 120.200 0.003 0.000 2.204 188 E HA -0.357 3.996 4.350 0.006 0.000 0.194 188 E C 0.551 177.152 176.600 0.002 0.000 0.989 188 E CA 3.236 59.639 56.400 0.004 0.000 0.824 188 E CB -0.747 28.956 29.700 0.003 0.000 0.756 188 E HN 0.684 9.045 8.360 0.001 0.000 0.477 189 T N -5.026 109.531 114.554 0.004 0.000 2.976 189 T HA -0.041 4.313 4.350 0.006 0.000 0.257 189 T C 1.521 176.227 174.700 0.011 0.000 1.051 189 T CA 1.634 63.738 62.100 0.007 0.000 1.141 189 T CB 0.038 68.911 68.868 0.009 0.000 0.881 189 T HN -0.356 7.853 8.240 0.004 0.033 0.461 190 G N 0.969 109.776 108.800 0.012 0.000 2.441 190 G HA2 -0.017 3.962 3.960 0.031 0.000 0.212 190 G HA3 -0.017 3.958 3.960 0.023 0.000 0.212 190 G C 0.634 175.540 174.900 0.011 0.000 1.164 190 G CA 0.479 45.592 45.100 0.021 0.000 0.811 190 G HN -0.273 8.022 8.290 0.009 0.000 0.535 191 L N 2.001 123.224 121.223 0.000 0.000 2.083 191 L HA -0.188 4.146 4.340 -0.011 0.000 0.209 191 L C 1.749 178.600 176.870 -0.032 0.000 1.083 191 L CA 2.786 57.618 54.840 -0.013 0.000 0.752 191 L CB 0.294 42.349 42.059 -0.007 0.000 0.899 191 L HN -0.042 8.072 8.230 0.001 0.117 0.433 192 I N -6.055 114.500 120.570 -0.025 0.000 2.394 192 I HA -0.379 3.764 4.170 -0.045 0.000 0.251 192 I C 0.962 177.055 176.117 -0.039 0.000 1.136 192 I CA 3.148 64.431 61.300 -0.029 0.000 1.425 192 I CB -1.035 36.960 38.000 -0.008 0.000 1.079 192 I HN -0.613 7.577 8.210 -0.012 0.013 0.425 193 A N 0.509 123.309 122.820 -0.035 0.000 1.933 193 A HA -0.264 4.021 4.320 -0.059 0.000 0.218 193 A C 2.297 179.790 177.584 -0.151 0.000 1.175 193 A CA 3.083 55.086 52.037 -0.056 0.000 0.628 193 A CB -1.137 17.865 19.000 0.004 0.000 0.814 193 A HN -0.519 7.511 8.150 -0.016 0.110 0.444 194 G N -2.023 106.706 108.800 -0.118 0.000 2.403 194 G HA2 -0.267 3.493 3.960 -0.334 0.000 0.216 194 G HA3 -0.267 3.652 3.960 -0.069 0.000 0.216 194 G C 1.192 175.927 174.900 -0.274 0.000 1.154 194 G CA 1.485 46.465 45.100 -0.200 0.000 0.784 194 G HN -0.665 7.582 8.290 -0.056 0.010 0.538 195 L N 1.900 123.032 121.223 -0.152 0.000 1.994 195 L HA -0.435 3.850 4.340 -0.092 0.000 0.208 195 L C 1.849 178.739 176.870 0.033 0.000 1.071 195 L CA 3.174 57.963 54.840 -0.085 0.000 0.745 195 L CB -0.135 41.813 42.059 -0.185 0.000 0.892 195 L HN -0.530 7.550 8.230 -0.118 0.079 0.431 196 R N -1.693 118.804 120.500 -0.005 0.000 2.096 196 R HA -0.339 4.031 4.340 0.050 0.000 0.235 196 R C 2.769 178.965 176.300 -0.173 0.000 1.127 196 R CA 2.941 59.024 56.100 -0.028 0.000 0.968 196 R CB -0.067 30.211 30.300 -0.037 0.000 0.861 196 R HN -0.199 8.054 8.270 -0.029 0.000 0.440 197 A N -0.467 122.112 122.820 -0.400 0.000 1.930 197 A HA -0.052 3.990 4.320 -0.463 0.000 0.217 197 A C 1.413 178.612 177.584 -0.642 0.000 1.175 197 A CA 2.692 54.289 52.037 -0.735 0.000 0.627 197 A CB -0.506 17.512 19.000 -1.636 0.000 0.815 197 A HN -0.370 7.527 8.150 -0.399 0.014 0.443 198 S N -3.387 111.980 115.700 -0.555 0.000 2.474 198 S HA -0.221 4.175 4.470 -0.123 0.000 0.235 198 S C -0.366 174.227 174.600 -0.012 0.000 0.997 198 S CA 3.044 61.123 58.200 -0.202 0.000 0.949 198 S CB 0.179 63.331 63.200 -0.079 0.000 0.766 198 S HN -0.121 7.680 8.310 -0.537 0.186 0.517 199 Q N -1.776 118.006 119.800 -0.031 0.000 2.211 199 Q HA 0.095 4.451 4.340 0.026 0.000 0.231 199 Q C 0.142 176.135 176.000 -0.012 0.000 0.865 199 Q CA 0.702 56.504 55.803 -0.002 0.000 0.997 199 Q CB 0.201 28.919 28.738 -0.033 0.000 1.101 199 Q HN -0.754 7.292 8.270 -0.085 0.172 0.468 200 T N -5.347 109.210 114.554 0.005 0.000 3.154 200 T HA 0.162 4.526 4.350 0.023 0.000 0.258 200 T C 0.203 174.960 174.700 0.094 0.000 0.899 200 T CA 0.555 62.673 62.100 0.030 0.000 0.908 200 T CB 2.057 70.927 68.868 0.003 0.000 1.260 200 T HN -0.318 7.839 8.240 0.008 0.088 0.521 201 E N 1.422 121.721 120.200 0.165 0.000 2.383 201 E HA 0.356 4.809 4.350 0.172 0.000 0.275 201 E C -2.290 174.487 176.600 0.295 0.000 0.918 201 E CA -0.684 55.861 56.400 0.242 0.000 0.764 201 E CB 4.154 34.062 29.700 0.347 0.000 1.252 201 E HN -0.574 7.875 8.360 0.147 0.000 0.449 202 K N -0.065 120.469 120.400 0.223 0.000 2.281 202 K HA 0.298 4.769 4.320 0.251 0.000 0.242 202 K C -1.224 175.473 176.600 0.161 0.000 0.971 202 K CA -1.330 55.079 56.287 0.202 0.000 0.834 202 K CB 1.756 34.341 32.500 0.141 0.000 1.181 202 K HN 0.107 8.464 8.250 0.178 0.000 0.435 203 L N 1.974 123.282 121.223 0.142 0.000 2.349 203 L HA 0.044 4.408 4.340 0.039 0.000 0.275 203 L C 0.172 177.098 176.870 0.092 0.000 1.115 203 L CA -0.068 54.824 54.840 0.086 0.000 0.820 203 L CB 0.899 43.015 42.059 0.095 0.000 1.135 203 L HN 0.216 8.546 8.230 0.167 0.000 0.445 204 K N 5.344 125.783 120.400 0.065 0.000 2.524 204 K HA -0.052 4.311 4.320 0.071 0.000 0.279 204 K C -1.935 174.738 176.600 0.121 0.000 0.993 204 K CA -1.042 55.290 56.287 0.075 0.000 1.030 204 K CB -0.696 31.829 32.500 0.043 0.000 0.891 204 K HN 0.112 8.382 8.250 0.033 0.000 0.488 205 P HA -0.189 4.298 4.420 0.112 0.000 0.250 205 P C -1.668 175.744 177.300 0.188 0.000 1.161 205 P CA 0.707 63.879 63.100 0.120 0.000 0.863 205 P CB 0.000 31.748 31.700 0.080 0.000 0.827 206 F N 5.658 125.615 119.950 0.011 0.000 2.931 206 F HA 0.290 4.807 4.527 -0.018 0.000 0.375 206 F C -2.526 173.266 175.800 -0.013 0.000 1.243 206 F CA -3.539 54.451 58.000 -0.017 0.000 1.206 206 F CB 2.445 41.414 39.000 -0.052 0.000 1.643 206 F HN -0.554 7.874 8.300 0.213 0.000 0.593 207 P HA 0.159 4.514 4.420 -0.109 0.000 0.266 207 P C -1.446 175.596 177.300 -0.429 0.000 1.586 207 P CA -1.004 61.944 63.100 -0.252 0.000 1.088 207 P CB -0.357 31.255 31.700 -0.146 0.000 1.584 208 V N 4.492 124.149 119.914 -0.429 0.000 2.999 208 V HA -0.203 3.575 4.120 -0.570 0.000 0.307 208 V C -0.018 175.983 176.094 -0.155 0.000 1.084 208 V CA 1.056 63.138 62.300 -0.362 0.000 1.155 208 V CB 0.727 32.437 31.823 -0.188 0.000 0.975 208 V HN -0.425 7.602 8.190 -0.272 0.000 0.490 209 S N 4.076 119.712 115.700 -0.106 0.000 3.312 209 S HA -0.230 4.239 4.470 -0.003 0.000 0.667 209 S C -0.717 173.873 174.600 -0.017 0.000 0.777 209 S CA 0.884 59.069 58.200 -0.025 0.000 1.365 209 S CB -0.208 62.997 63.200 0.008 0.000 1.146 209 S HN 0.227 8.460 8.310 -0.129 0.000 0.726 210 H N 5.919 124.951 119.070 -0.063 0.000 3.981 210 H HA -0.227 4.288 4.556 -0.069 0.000 0.208 210 H C -1.226 174.089 175.328 -0.022 0.000 1.611 210 H CA 0.581 56.597 56.048 -0.053 0.000 1.470 210 H CB -1.772 27.959 29.762 -0.050 0.000 1.777 210 H HN 0.355 8.706 8.280 0.118 0.000 0.727 211 N N 3.501 122.108 118.700 -0.156 0.000 2.710 211 N HA 0.117 4.766 4.740 -0.150 0.000 0.257 211 N C -3.324 172.160 175.510 -0.044 0.000 1.140 211 N CA -1.932 51.067 53.050 -0.085 0.000 0.953 211 N CB 0.639 39.149 38.487 0.037 0.000 1.664 211 N HN -0.006 8.235 8.380 -0.138 0.056 0.497 212 P HA 0.274 4.694 4.420 0.001 0.000 0.277 212 P C 0.388 177.742 177.300 0.090 0.000 1.276 212 P CA -0.711 62.406 63.100 0.028 0.000 0.788 212 P CB 1.297 33.014 31.700 0.028 0.000 1.114 213 S N -0.524 115.225 115.700 0.081 0.000 2.484 213 S HA -0.366 4.140 4.470 0.061 0.000 0.250 213 S C 1.370 176.021 174.600 0.086 0.000 0.995 213 S CA 3.215 61.459 58.200 0.074 0.000 0.967 213 S CB -0.398 62.835 63.200 0.055 0.000 0.752 213 S HN -0.044 8.508 8.310 0.062 -0.204 0.517 214 F N 2.367 122.315 119.950 -0.002 0.000 2.120 214 F HA -0.364 4.166 4.527 0.005 0.000 0.300 214 F C 1.356 177.160 175.800 0.006 0.000 1.095 214 F CA 2.250 60.250 58.000 0.001 0.000 1.249 214 F CB -0.029 38.967 39.000 -0.007 0.000 0.995 214 F HN -0.445 7.907 8.300 0.257 0.102 0.480 215 E N -0.974 119.317 120.200 0.152 0.000 2.147 215 E HA -0.486 3.932 4.350 0.113 0.000 0.199 215 E C 2.520 179.089 176.600 -0.051 0.000 1.005 215 E CA 3.117 59.556 56.400 0.066 0.000 0.810 215 E CB -0.336 29.413 29.700 0.080 0.000 0.736 215 E HN -0.067 8.425 8.360 0.227 0.003 0.460 216 R N -1.154 119.316 120.500 -0.051 0.000 2.096 216 R HA -0.272 4.050 4.340 -0.029 0.000 0.235 216 R C 2.346 178.573 176.300 -0.122 0.000 1.127 216 R CA 2.736 58.803 56.100 -0.055 0.000 0.968 216 R CB -0.321 29.969 30.300 -0.017 0.000 0.861 216 R HN -0.449 7.700 8.270 -0.014 0.113 0.440 217 L N 0.178 121.251 121.223 -0.250 0.000 2.151 217 L HA -0.320 4.005 4.340 -0.205 -0.108 0.215 217 L C 1.625 178.347 176.870 -0.247 0.000 1.084 217 L CA 3.112 57.754 54.840 -0.330 0.000 0.764 217 L CB -0.287 41.332 42.059 -0.734 0.000 0.891 217 L HN 0.033 7.981 8.230 -0.280 0.114 0.435 218 L N -3.239 117.846 121.223 -0.229 0.000 2.141 218 L HA -0.328 3.935 4.340 -0.127 0.000 0.209 218 L C 2.431 179.259 176.870 -0.070 0.000 1.094 218 L CA 2.858 57.622 54.840 -0.127 0.000 0.763 218 L CB -1.432 40.578 42.059 -0.082 0.000 0.908 218 L HN -0.611 7.333 8.230 -0.260 0.130 0.437 219 V N -0.010 119.869 119.914 -0.059 0.000 2.261 219 V HA -0.591 3.515 4.120 -0.024 0.000 0.246 219 V C 1.814 177.902 176.094 -0.010 0.000 1.047 219 V CA 4.166 66.450 62.300 -0.027 0.000 1.015 219 V CB -0.171 31.642 31.823 -0.017 0.000 0.642 219 V HN 0.321 8.319 8.190 -0.075 0.147 0.446 220 E N -2.170 118.022 120.200 -0.013 0.000 2.077 220 E HA -0.191 4.177 4.350 0.029 0.000 0.193 220 E C 1.911 178.517 176.600 0.011 0.000 0.989 220 E CA 2.340 58.746 56.400 0.011 0.000 0.800 220 E CB -0.197 29.514 29.700 0.017 0.000 0.746 220 E HN -0.641 7.700 8.360 -0.031 0.000 0.452 221 T N -1.537 113.009 114.554 -0.013 0.000 2.915 221 T HA -0.232 4.131 4.350 0.021 0.000 0.269 221 T C 0.778 175.500 174.700 0.037 0.000 1.071 221 T CA 2.746 64.849 62.100 0.005 0.000 1.132 221 T CB 0.441 69.293 68.868 -0.027 0.000 0.878 221 T HN -0.293 7.921 8.240 -0.044 0.000 0.479 222 I N -3.263 117.320 120.570 0.022 0.000 4.872 222 I HA -0.662 3.538 4.170 0.023 -0.016 0.039 222 I C -0.373 175.781 176.117 0.062 0.000 0.634 222 I CA 3.018 64.346 61.300 0.046 0.000 0.359 222 I CB -1.377 36.667 38.000 0.074 0.000 0.407 222 I HN -0.123 7.848 8.210 -0.001 0.238 0.151 223 Y N 3.802 124.101 120.300 -0.003 0.000 2.393 223 Y HA -0.073 4.479 4.550 0.002 0.000 0.338 223 Y C -0.578 175.325 175.900 0.004 0.000 1.029 223 Y CA -0.132 57.969 58.100 0.002 0.000 1.239 223 Y CB 0.539 39.001 38.460 0.003 0.000 1.170 223 Y HN -0.382 8.026 8.280 0.221 0.006 0.515 224 S N 0.000 115.408 115.700 -0.487 0.000 2.498 224 S HA 0.000 4.404 4.470 -0.111 0.000 0.327 224 S CA 0.000 58.035 58.200 -0.275 0.000 1.107 224 S CB 0.000 63.031 63.200 -0.281 0.000 0.593 224 S HN 0.000 7.895 8.310 -0.692 0.000 0.517