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 2o1y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.477 4.480 -0.005 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 S N 2.819 118.515 115.700 -0.006 0.000 2.843 2 S HA 0.911 5.376 4.470 -0.009 0.000 0.301 2 S C -2.246 172.351 174.600 -0.005 0.000 1.206 2 S CA -0.811 57.385 58.200 -0.006 0.000 0.875 2 S CB 2.181 65.379 63.200 -0.004 0.000 1.248 2 S HN 0.764 9.071 8.310 -0.005 0.000 0.555 3 M N 0.445 120.042 119.600 -0.004 0.000 3.019 3 M HA 0.450 4.931 4.480 0.002 0.000 0.256 3 M C -2.374 173.927 176.300 0.002 0.000 0.911 3 M CA -0.262 55.037 55.300 -0.001 0.000 0.794 3 M CB 1.148 33.745 32.600 -0.006 0.000 1.643 3 M HN 0.499 8.787 8.290 -0.004 0.000 0.572 4 A N 3.245 126.070 122.820 0.008 0.000 3.434 4 A HA 0.425 4.752 4.320 0.012 0.000 0.247 4 A C -2.553 175.044 177.584 0.022 0.000 1.075 4 A CA -0.276 51.770 52.037 0.015 0.000 0.737 4 A CB 1.294 20.307 19.000 0.021 0.000 1.412 4 A HN 0.211 8.366 8.150 0.009 0.000 0.691 5 M N -1.569 118.052 119.600 0.036 0.000 2.970 5 M HA 0.195 4.700 4.480 0.040 0.000 0.284 5 M C -0.858 175.480 176.300 0.063 0.000 1.254 5 M CA -0.282 55.047 55.300 0.049 0.000 0.744 5 M CB 2.110 34.745 32.600 0.059 0.000 1.758 5 M HN 0.257 8.570 8.290 0.039 0.000 0.428 6 S N 0.311 116.063 115.700 0.085 0.000 2.598 6 S HA 0.196 4.712 4.470 0.077 0.000 0.267 6 S C -0.484 174.178 174.600 0.103 0.000 1.189 6 S CA -0.068 58.190 58.200 0.095 0.000 1.010 6 S CB 1.017 64.291 63.200 0.123 0.000 1.084 6 S HN 0.050 8.416 8.310 0.094 0.000 0.541 7 Q N -2.233 117.628 119.800 0.102 0.000 2.179 7 Q HA 0.313 4.713 4.340 0.099 0.000 0.244 7 Q C 1.236 177.294 176.000 0.097 0.000 0.808 7 Q CA 0.174 56.033 55.803 0.093 0.000 0.955 7 Q CB 1.699 30.477 28.738 0.067 0.000 1.141 7 Q HN 0.271 8.601 8.270 0.100 0.000 0.485 8 S N 2.333 118.099 115.700 0.110 0.000 2.401 8 S HA -0.478 4.014 4.470 0.037 0.000 0.236 8 S C 1.405 176.030 174.600 0.042 0.000 1.058 8 S CA 3.920 62.165 58.200 0.075 0.000 1.151 8 S CB 0.004 63.284 63.200 0.134 0.000 1.049 8 S HN -0.290 8.094 8.310 0.124 0.000 0.432 9 N N -0.575 118.213 118.700 0.147 0.000 2.049 9 N HA -0.454 4.284 4.740 -0.004 0.000 0.198 9 N C 1.662 177.244 175.510 0.120 0.000 1.030 9 N CA 2.866 56.013 53.050 0.163 0.000 0.870 9 N CB -1.165 37.538 38.487 0.361 0.000 1.045 9 N HN -0.125 8.410 8.380 0.258 0.000 0.434 10 R N 0.732 121.305 120.500 0.122 0.000 2.096 10 R HA -0.428 3.982 4.340 0.117 0.000 0.240 10 R C 1.987 178.331 176.300 0.072 0.000 1.139 10 R CA 3.753 59.914 56.100 0.101 0.000 0.952 10 R CB -0.489 29.864 30.300 0.088 0.000 0.854 10 R HN -0.362 7.990 8.270 0.134 -0.002 0.436 11 E N -1.052 119.175 120.200 0.046 0.000 2.187 11 E HA -0.309 4.059 4.350 0.030 0.000 0.199 11 E C 2.415 179.036 176.600 0.036 0.000 1.004 11 E CA 2.904 59.320 56.400 0.026 0.000 0.813 11 E CB -0.571 29.130 29.700 0.001 0.000 0.736 11 E HN -0.358 7.953 8.360 0.046 0.077 0.468 12 L N -2.454 118.791 121.223 0.036 0.000 2.017 12 L HA -0.289 4.077 4.340 0.043 0.000 0.208 12 L C 2.079 179.095 176.870 0.242 0.000 1.073 12 L CA 3.179 58.077 54.840 0.096 0.000 0.745 12 L CB -0.816 41.293 42.059 0.083 0.000 0.894 12 L HN -0.211 7.885 8.230 0.013 0.142 0.432 13 V N -1.040 118.996 119.914 0.204 0.000 2.287 13 V HA -0.463 3.830 4.120 0.287 0.000 0.248 13 V C 2.294 178.454 176.094 0.109 0.000 1.053 13 V CA 3.412 65.818 62.300 0.176 0.000 1.027 13 V CB -1.264 30.606 31.823 0.079 0.000 0.646 13 V HN -0.464 7.737 8.190 0.157 0.083 0.447 14 V N 0.244 120.199 119.914 0.067 0.000 2.229 14 V HA -0.590 3.523 4.120 -0.013 0.000 0.243 14 V C 1.625 177.742 176.094 0.038 0.000 1.042 14 V CA 4.663 66.978 62.300 0.023 0.000 1.000 14 V CB -0.931 30.903 31.823 0.017 0.000 0.637 14 V HN -0.493 7.740 8.190 0.073 0.000 0.446 15 D N -0.058 120.384 120.400 0.071 0.000 2.127 15 D HA -0.347 4.331 4.640 0.064 0.000 0.190 15 D C 2.513 178.907 176.300 0.158 0.000 1.000 15 D CA 3.632 57.686 54.000 0.089 0.000 0.839 15 D CB 0.044 40.887 40.800 0.072 0.000 0.955 15 D HN -0.291 8.119 8.370 0.066 0.000 0.446 16 F N 0.962 120.952 119.950 0.067 0.000 2.046 16 F HA -0.430 4.156 4.527 0.099 0.000 0.297 16 F C 1.307 177.196 175.800 0.149 0.000 1.123 16 F CA 2.403 60.469 58.000 0.111 0.000 1.199 16 F CB -0.332 38.749 39.000 0.135 0.000 0.972 16 F HN -0.041 8.447 8.300 0.312 0.000 0.474 17 L N -0.869 120.035 121.223 -0.531 0.000 2.011 17 L HA -0.696 3.001 4.340 -1.072 0.000 0.225 17 L C 2.211 178.880 176.870 -0.336 0.000 1.084 17 L CA 3.624 58.089 54.840 -0.624 0.000 0.791 17 L CB -0.692 41.183 42.059 -0.307 0.000 0.898 17 L HN 0.202 8.231 8.230 -0.158 0.106 0.440 18 S N -2.141 113.480 115.700 -0.132 0.000 2.365 18 S HA -0.473 3.959 4.470 -0.065 0.000 0.225 18 S C 1.929 176.524 174.600 -0.008 0.000 1.039 18 S CA 3.998 62.171 58.200 -0.045 0.000 1.033 18 S CB -0.357 62.851 63.200 0.013 0.000 0.887 18 S HN 0.152 8.407 8.310 -0.091 0.000 0.447 19 Y N 4.102 124.364 120.300 -0.063 0.000 2.097 19 Y HA -0.341 4.221 4.550 0.021 0.000 0.282 19 Y C 1.754 177.643 175.900 -0.018 0.000 1.152 19 Y CA 3.603 61.708 58.100 0.008 0.000 1.136 19 Y CB -0.215 38.316 38.460 0.118 0.000 0.975 19 Y HN -0.653 7.645 8.280 0.170 0.085 0.498 20 K N -1.591 118.780 120.400 -0.048 0.000 2.152 20 K HA -0.364 3.927 4.320 -0.050 0.000 0.206 20 K C 2.133 178.641 176.600 -0.154 0.000 1.048 20 K CA 2.978 59.192 56.287 -0.122 0.000 0.933 20 K CB -0.490 31.848 32.500 -0.271 0.000 0.721 20 K HN -0.070 8.134 8.250 -0.077 0.000 0.447 21 L N -1.811 119.319 121.223 -0.156 0.000 2.023 21 L HA -0.223 4.085 4.340 -0.054 0.000 0.205 21 L C 2.017 178.872 176.870 -0.025 0.000 1.073 21 L CA 3.267 58.061 54.840 -0.076 0.000 0.745 21 L CB 0.088 42.093 42.059 -0.091 0.000 0.900 21 L HN -0.001 7.996 8.230 -0.179 0.126 0.435 22 S N 0.950 116.605 115.700 -0.075 0.000 2.374 22 S HA -0.328 4.380 4.470 -0.037 -0.260 0.227 22 S C 2.608 177.125 174.600 -0.139 0.000 1.037 22 S CA 2.958 61.108 58.200 -0.083 0.000 1.024 22 S CB -0.288 62.863 63.200 -0.080 0.000 0.861 22 S HN 0.572 8.718 8.310 -0.085 0.113 0.456 23 Q N 2.582 122.233 119.800 -0.248 0.000 2.297 23 Q HA -0.214 3.983 4.340 -0.238 0.000 0.208 23 Q C 1.233 177.158 176.000 -0.124 0.000 0.981 23 Q CA 2.467 58.120 55.803 -0.249 0.000 0.876 23 Q CB -0.200 28.314 28.738 -0.375 0.000 0.921 23 Q HN -0.024 8.044 8.270 -0.327 0.006 0.446 24 K N -2.909 117.450 120.400 -0.068 0.000 2.393 24 K HA 0.009 4.311 4.320 -0.030 0.000 0.193 24 K C 0.314 176.845 176.600 -0.115 0.000 1.026 24 K CA -1.433 54.846 56.287 -0.014 0.000 1.064 24 K CB 0.590 33.172 32.500 0.137 0.000 0.833 24 K HN -0.270 7.754 8.250 -0.063 0.188 0.521 25 G N -1.620 107.098 108.800 -0.137 0.000 2.307 25 G HA2 -0.262 3.604 3.960 -0.158 0.000 0.210 25 G HA3 -0.262 3.504 3.960 -0.324 0.000 0.210 25 G C -0.076 174.671 174.900 -0.255 0.000 1.005 25 G CA -0.188 44.775 45.100 -0.230 0.000 0.634 25 G HN -0.125 7.898 8.290 -0.090 0.213 0.496 26 Y N 0.080 120.301 120.300 -0.131 0.000 2.183 26 Y HA -0.083 4.352 4.550 -0.190 0.000 0.380 26 Y C -0.253 175.582 175.900 -0.109 0.000 1.308 26 Y CA 0.806 58.803 58.100 -0.171 0.000 1.813 26 Y CB 0.417 38.733 38.460 -0.240 0.000 1.584 26 Y HN -0.675 7.492 8.280 -0.067 0.073 0.665 27 S N -2.806 112.956 115.700 0.104 0.000 7.144 27 S HA -0.038 4.481 4.470 0.082 0.000 0.060 27 S C -1.505 173.246 174.600 0.252 0.000 1.471 27 S CA 0.152 58.427 58.200 0.125 0.000 1.045 27 S CB 0.490 63.765 63.200 0.125 0.000 1.256 27 S HN 0.035 8.383 8.310 0.063 0.000 0.546 28 W N 0.282 121.607 121.300 0.042 0.000 3.078 28 W HA -0.187 4.498 4.660 0.042 0.000 0.453 28 W C -1.205 175.321 176.519 0.013 0.000 1.803 28 W CA 0.473 57.837 57.345 0.031 0.000 0.459 28 W CB -0.337 29.136 29.460 0.021 0.000 2.859 28 W HN 0.092 8.522 8.180 0.417 0.000 0.416 29 S N 1.193 116.975 115.700 0.137 0.000 2.764 29 S HA 0.044 4.539 4.470 0.041 0.000 0.289 29 S C -1.976 172.631 174.600 0.012 0.000 1.235 29 S CA -0.298 57.930 58.200 0.047 0.000 1.081 29 S CB 0.711 63.921 63.200 0.018 0.000 1.319 29 S HN -0.284 8.057 8.310 0.051 0.000 0.492 30 Q N -0.629 119.166 119.800 -0.007 0.000 2.737 30 Q HA 0.554 5.007 4.340 0.189 0.000 0.307 30 Q C -1.916 174.092 176.000 0.014 0.000 0.905 30 Q CA -0.503 55.345 55.803 0.075 0.000 0.753 30 Q CB 1.969 30.719 28.738 0.019 0.000 1.463 30 Q HN 0.260 8.480 8.270 -0.083 0.000 0.455 31 F N -0.661 119.275 119.950 -0.023 0.000 2.679 31 F HA 0.313 4.836 4.527 -0.007 0.000 0.341 31 F C -0.729 175.062 175.800 -0.014 0.000 1.095 31 F CA -0.123 57.869 58.000 -0.014 0.000 1.004 31 F CB 1.425 40.418 39.000 -0.013 0.000 1.388 31 F HN -0.091 8.395 8.300 0.310 0.000 0.505 32 S N -0.893 114.919 115.700 0.187 0.000 2.669 32 S HA 0.128 4.654 4.470 0.093 0.000 0.266 32 S C -2.088 172.564 174.600 0.087 0.000 1.149 32 S CA -0.828 57.430 58.200 0.097 0.000 0.842 32 S CB 1.564 64.788 63.200 0.040 0.000 1.160 32 S HN -0.090 8.367 8.310 0.244 0.000 0.487 33 D N 0.785 121.216 120.400 0.052 0.000 2.575 33 D HA 0.401 5.073 4.640 0.053 0.000 0.236 33 D C -0.791 175.525 176.300 0.027 0.000 1.075 33 D CA -0.304 53.721 54.000 0.043 0.000 0.860 33 D CB 1.471 42.292 40.800 0.035 0.000 1.475 33 D HN 0.037 8.432 8.370 0.041 0.000 0.474 34 V N -1.148 118.781 119.914 0.025 0.000 5.619 34 V HA 0.326 4.455 4.120 0.015 0.000 0.099 34 V C -0.585 175.518 176.094 0.016 0.000 0.898 34 V CA 0.378 62.688 62.300 0.017 0.000 1.288 34 V CB 0.807 32.639 31.823 0.014 0.000 2.171 34 V HN -0.067 8.140 8.190 0.029 0.000 0.497 35 E N 0.166 120.376 120.200 0.016 0.000 3.664 35 E HA 0.238 4.598 4.350 0.016 0.000 0.378 35 E C -2.112 174.496 176.600 0.014 0.000 1.032 35 E CA 0.141 56.550 56.400 0.015 0.000 0.817 35 E CB 1.977 31.684 29.700 0.012 0.000 1.281 35 E HN 0.609 8.979 8.360 0.016 0.000 0.488 36 E N 1.849 122.058 120.200 0.015 0.000 2.411 36 E HA 0.380 4.738 4.350 0.013 0.000 0.279 36 E C -1.625 174.983 176.600 0.015 0.000 1.132 36 E CA -0.799 55.610 56.400 0.014 0.000 0.876 36 E CB 1.239 30.948 29.700 0.015 0.000 1.335 36 E HN 0.251 8.621 8.360 0.016 0.000 0.436 37 N N -0.625 118.083 118.700 0.014 0.000 3.343 37 N HA 0.723 5.471 4.740 0.014 0.000 0.330 37 N C -1.765 173.753 175.510 0.013 0.000 1.560 37 N CA -1.010 52.048 53.050 0.013 0.000 0.752 37 N CB 2.327 40.821 38.487 0.011 0.000 1.863 37 N HN 0.428 8.816 8.380 0.013 0.000 0.636 38 R N -1.547 118.960 120.500 0.012 0.000 3.112 38 R HA 0.213 4.559 4.340 0.012 0.000 0.271 38 R C -2.374 173.933 176.300 0.011 0.000 1.008 38 R CA -0.377 55.730 56.100 0.012 0.000 0.903 38 R CB 1.778 32.086 30.300 0.014 0.000 1.267 38 R HN 0.840 9.117 8.270 0.012 0.000 0.514 39 T N 0.780 115.340 114.554 0.010 0.000 3.865 39 T HA 0.127 4.482 4.350 0.009 0.000 0.234 39 T C -1.251 173.454 174.700 0.009 0.000 0.584 39 T CA -0.395 61.711 62.100 0.009 0.000 1.058 39 T CB 1.096 69.969 68.868 0.008 0.000 1.174 39 T HN 0.086 8.332 8.240 0.010 0.000 0.514 40 E N 2.214 122.420 120.200 0.009 0.000 3.499 40 E HA 0.253 4.608 4.350 0.008 0.000 0.277 40 E C -1.730 174.876 176.600 0.008 0.000 1.214 40 E CA 0.309 56.714 56.400 0.008 0.000 1.935 40 E CB 1.691 31.396 29.700 0.009 0.000 1.940 40 E HN 0.213 8.579 8.360 0.010 0.000 0.920 41 A N 1.961 124.787 122.820 0.010 0.000 2.045 41 A HA 0.181 4.507 4.320 0.010 0.000 0.298 41 A C -2.760 174.831 177.584 0.011 0.000 1.052 41 A CA -0.618 51.425 52.037 0.010 0.000 0.961 41 A CB 0.182 19.187 19.000 0.009 0.000 1.350 41 A HN -0.142 8.014 8.150 0.010 0.000 0.352 42 P HA 0.254 4.684 4.420 0.015 0.000 0.275 42 P C -1.641 175.668 177.300 0.015 0.000 1.228 42 P CA -0.314 62.795 63.100 0.015 0.000 0.786 42 P CB 0.707 32.418 31.700 0.017 0.000 0.927 43 E N -0.977 119.233 120.200 0.017 0.000 2.411 43 E HA 0.138 4.498 4.350 0.017 0.000 0.279 43 E C -0.561 176.050 176.600 0.018 0.000 1.132 43 E CA -1.015 55.395 56.400 0.017 0.000 0.876 43 E CB 0.240 29.948 29.700 0.014 0.000 1.335 43 E HN 0.116 8.486 8.360 0.017 0.000 0.436 44 G N 0.067 108.879 108.800 0.019 0.000 2.719 44 G HA2 -0.288 3.686 3.960 0.024 0.000 0.219 44 G HA3 -0.288 3.685 3.960 0.021 0.000 0.219 44 G C -0.601 174.310 174.900 0.019 0.000 1.234 44 G CA 0.941 46.053 45.100 0.021 0.000 0.788 44 G HN 0.322 8.623 8.290 0.018 0.000 0.619 45 T N -1.364 113.200 114.554 0.016 0.000 0.543 45 T HA -0.245 4.112 4.350 0.012 0.000 0.774 45 T C -1.771 172.938 174.700 0.015 0.000 0.992 45 T CA 0.945 63.053 62.100 0.014 0.000 4.076 45 T CB 0.656 69.532 68.868 0.014 0.000 2.302 45 T HN -0.303 7.947 8.240 0.015 0.000 0.398 46 E N 5.621 125.828 120.200 0.012 0.000 2.393 46 E HA 0.275 4.632 4.350 0.012 0.000 0.273 46 E C -1.708 174.897 176.600 0.007 0.000 0.918 46 E CA -1.142 55.265 56.400 0.011 0.000 0.773 46 E CB 2.403 32.110 29.700 0.011 0.000 1.275 46 E HN 0.029 8.395 8.360 0.010 0.000 0.451 47 S N 0.886 116.589 115.700 0.005 0.000 2.414 47 S HA 0.304 4.777 4.470 0.006 0.000 0.267 47 S C -1.102 173.498 174.600 0.001 0.000 1.165 47 S CA -0.123 58.079 58.200 0.004 0.000 1.028 47 S CB 0.818 64.020 63.200 0.003 0.000 1.154 47 S HN 0.157 8.516 8.310 0.004 -0.046 0.472 90 V N 2.119 122.056 119.914 0.037 0.000 2.233 90 V HA -0.588 3.606 4.120 0.123 0.000 0.252 90 V C 0.781 176.848 176.094 -0.044 0.000 1.063 90 V CA 3.867 66.169 62.300 0.002 0.000 1.032 90 V CB 0.060 31.774 31.823 -0.182 0.000 0.645 90 V HN 0.351 8.568 8.190 0.044 0.000 0.446 91 K N -1.532 118.828 120.400 -0.066 0.000 1.998 91 K HA -0.482 3.793 4.320 -0.076 0.000 0.228 91 K C 2.098 178.657 176.600 -0.068 0.000 1.053 91 K CA 3.971 60.220 56.287 -0.063 0.000 0.988 91 K CB -1.064 31.412 32.500 -0.040 0.000 0.735 91 K HN 0.082 8.293 8.250 -0.066 0.000 0.448 92 Q N -1.988 117.783 119.800 -0.048 0.000 2.030 92 Q HA -0.312 3.978 4.340 -0.083 0.000 0.204 92 Q C 2.152 178.122 176.000 -0.051 0.000 0.986 92 Q CA 3.081 58.851 55.803 -0.056 0.000 0.843 92 Q CB -0.337 28.382 28.738 -0.032 0.000 0.904 92 Q HN -0.016 8.235 8.270 -0.032 0.000 0.420 93 A N 0.686 123.502 122.820 -0.006 0.000 1.849 93 A HA -0.369 3.942 4.320 -0.015 0.000 0.217 93 A C 1.761 179.406 177.584 0.101 0.000 1.202 93 A CA 3.108 55.169 52.037 0.040 0.000 0.629 93 A CB -0.599 18.461 19.000 0.100 0.000 0.834 93 A HN 0.096 8.247 8.150 0.002 0.000 0.447 94 L N -1.837 119.442 121.223 0.093 0.000 1.991 94 L HA -0.487 3.840 4.340 -0.022 0.000 0.221 94 L C 2.499 179.277 176.870 -0.152 0.000 1.079 94 L CA 3.290 58.081 54.840 -0.082 0.000 0.778 94 L CB -1.226 40.670 42.059 -0.272 0.000 0.893 94 L HN 0.514 8.671 8.230 0.077 0.119 0.437 95 R N -2.322 118.057 120.500 -0.202 0.000 2.132 95 R HA -0.508 3.633 4.340 -0.333 0.000 0.233 95 R C 2.045 178.249 176.300 -0.161 0.000 1.125 95 R CA 3.358 59.264 56.100 -0.324 0.000 0.914 95 R CB -0.512 29.434 30.300 -0.589 0.000 0.845 95 R HN -0.485 7.676 8.270 -0.182 0.000 0.431 96 E N -1.170 118.969 120.200 -0.101 0.000 2.072 96 E HA -0.472 3.880 4.350 0.003 0.000 0.218 96 E C 2.192 178.818 176.600 0.044 0.000 1.051 96 E CA 3.248 59.640 56.400 -0.013 0.000 0.880 96 E CB -0.087 29.605 29.700 -0.013 0.000 0.783 96 E HN -0.624 7.661 8.360 -0.125 0.000 0.473 97 A N -2.214 120.650 122.820 0.074 0.000 1.971 97 A HA -0.315 4.107 4.320 0.170 0.000 0.222 97 A C 2.313 179.986 177.584 0.148 0.000 1.182 97 A CA 2.924 55.052 52.037 0.151 0.000 0.649 97 A CB -0.875 18.285 19.000 0.267 0.000 0.818 97 A HN -0.195 7.994 8.150 0.066 0.000 0.458 98 G N -2.118 106.719 108.800 0.061 0.000 2.421 98 G HA2 -0.380 3.662 3.960 0.137 0.000 0.216 98 G HA3 -0.380 3.592 3.960 0.002 -0.010 0.216 98 G C 1.269 176.274 174.900 0.174 0.000 1.171 98 G CA 1.986 47.143 45.100 0.094 0.000 0.775 98 G HN 0.014 8.184 8.290 -0.008 0.116 0.543 99 D N 1.416 121.905 120.400 0.150 0.000 2.117 99 D HA -0.239 4.475 4.640 0.122 0.000 0.198 99 D C 2.238 178.592 176.300 0.090 0.000 0.982 99 D CA 3.306 57.385 54.000 0.131 0.000 0.828 99 D CB -0.180 40.711 40.800 0.152 0.000 0.967 99 D HN -0.494 7.869 8.370 0.121 0.080 0.464 100 E N -0.563 119.707 120.200 0.116 0.000 2.204 100 E HA -0.211 4.177 4.350 0.064 0.000 0.194 100 E C 1.755 178.455 176.600 0.166 0.000 0.989 100 E CA 1.960 58.427 56.400 0.110 0.000 0.824 100 E CB -0.260 29.510 29.700 0.115 0.000 0.756 100 E HN -0.274 8.160 8.360 0.123 0.000 0.477 101 F N 0.937 120.930 119.950 0.072 0.000 2.051 101 F HA -0.378 4.280 4.527 0.218 0.000 0.296 101 F C 1.003 176.864 175.800 0.101 0.000 1.122 101 F CA 2.698 60.777 58.000 0.131 0.000 1.201 101 F CB 0.015 39.079 39.000 0.107 0.000 0.978 101 F HN -0.122 8.241 8.300 0.321 0.130 0.472 102 E N -1.767 118.149 120.200 -0.474 0.000 2.401 102 E HA -0.361 3.453 4.350 -0.893 0.000 0.199 102 E C 1.887 178.340 176.600 -0.245 0.000 1.023 102 E CA 2.420 58.454 56.400 -0.610 0.000 0.859 102 E CB -0.931 28.391 29.700 -0.630 0.000 0.780 102 E HN -0.412 7.824 8.360 -0.207 0.000 0.523 103 L N -0.400 120.748 121.223 -0.125 0.000 2.071 103 L HA -0.209 4.094 4.340 -0.062 0.000 0.201 103 L C 2.206 179.028 176.870 -0.081 0.000 1.076 103 L CA 2.608 57.407 54.840 -0.067 0.000 0.755 103 L CB 0.034 42.077 42.059 -0.026 0.000 0.915 103 L HN -0.769 7.216 8.230 -0.084 0.195 0.445 104 R N -1.767 118.673 120.500 -0.100 0.000 2.073 104 R HA -0.223 4.004 4.340 -0.187 0.000 0.229 104 R C 1.631 177.730 176.300 -0.336 0.000 1.120 104 R CA 2.763 58.721 56.100 -0.236 0.000 0.967 104 R CB 0.499 30.609 30.300 -0.318 0.000 0.862 104 R HN -0.106 8.138 8.270 -0.044 0.000 0.436 105 Y N -2.738 117.559 120.300 -0.005 0.000 2.764 105 Y HA 0.259 4.832 4.550 0.038 0.000 0.350 105 Y C -1.064 174.757 175.900 -0.131 0.000 0.982 105 Y CA -1.950 56.141 58.100 -0.017 0.000 1.431 105 Y CB -1.439 37.110 38.460 0.148 0.000 1.326 105 Y HN 0.252 8.411 8.280 -0.028 0.104 0.550 106 R N 1.180 121.685 120.500 0.009 0.000 2.117 106 R HA -0.390 4.073 4.340 -0.003 -0.125 0.243 106 R C 1.731 178.106 176.300 0.124 0.000 1.143 106 R CA 4.247 60.369 56.100 0.037 0.000 0.968 106 R CB -0.116 30.196 30.300 0.021 0.000 0.863 106 R HN -0.244 7.945 8.270 -0.018 0.070 0.444 107 R N -2.481 118.082 120.500 0.104 0.000 2.066 107 R HA -0.130 4.246 4.340 0.061 0.000 0.224 107 R C 1.409 177.763 176.300 0.091 0.000 1.122 107 R CA 3.052 59.202 56.100 0.084 0.000 0.974 107 R CB -0.344 29.997 30.300 0.068 0.000 0.871 107 R HN 0.235 8.550 8.270 0.100 0.015 0.435 108 A N -2.373 120.544 122.820 0.163 0.000 2.024 108 A HA -0.229 4.140 4.320 0.081 0.000 0.220 108 A C 0.816 178.494 177.584 0.157 0.000 1.164 108 A CA 2.332 54.458 52.037 0.149 0.000 0.643 108 A CB -0.632 18.486 19.000 0.197 0.000 0.806 108 A HN 0.182 8.466 8.150 0.223 0.000 0.451 109 F N -1.588 118.354 119.950 -0.013 0.000 2.164 109 F HA -0.117 4.511 4.527 0.168 0.000 0.287 109 F C 0.995 176.807 175.800 0.020 0.000 1.086 109 F CA 1.641 59.636 58.000 -0.009 0.000 1.249 109 F CB 1.371 40.159 39.000 -0.353 0.000 1.059 109 F HN -0.482 7.905 8.300 0.208 0.039 0.490 110 S N 1.122 116.561 115.700 -0.435 0.000 2.369 110 S HA -0.578 3.337 4.470 -0.925 0.000 0.225 110 S C 2.216 176.610 174.600 -0.343 0.000 1.043 110 S CA 3.486 61.385 58.200 -0.502 0.000 1.074 110 S CB -0.293 62.842 63.200 -0.108 0.000 0.962 110 S HN -0.440 7.923 8.310 0.088 0.000 0.433 111 D N 0.385 120.678 120.400 -0.180 0.000 2.228 111 D HA -0.222 4.349 4.640 -0.116 0.000 0.203 111 D C 1.684 177.883 176.300 -0.168 0.000 0.988 111 D CA 2.420 56.341 54.000 -0.132 0.000 0.864 111 D CB 0.021 40.776 40.800 -0.076 0.000 0.928 111 D HN -0.428 7.873 8.370 -0.116 0.000 0.469 112 L N -0.834 120.256 121.223 -0.222 0.000 2.007 112 L HA -0.159 4.034 4.340 -0.246 0.000 0.205 112 L C 2.258 178.964 176.870 -0.273 0.000 1.073 112 L CA 2.409 57.089 54.840 -0.267 0.000 0.744 112 L CB -0.149 41.762 42.059 -0.246 0.000 0.898 112 L HN -0.334 7.593 8.230 -0.234 0.163 0.435 113 T N 0.011 114.400 114.554 -0.276 0.000 2.918 113 T HA -0.299 4.225 4.350 0.290 0.000 0.271 113 T C 1.882 176.585 174.700 0.004 0.000 1.104 113 T CA 3.591 65.665 62.100 -0.043 0.000 1.114 113 T CB -0.788 67.935 68.868 -0.242 0.000 0.855 113 T HN 0.033 7.980 8.240 -0.488 0.000 0.518 114 S N -1.971 113.676 115.700 -0.088 0.000 2.577 114 S HA 0.093 4.556 4.470 -0.012 0.000 0.219 114 S C 0.700 175.270 174.600 -0.050 0.000 0.962 114 S CA 0.774 58.940 58.200 -0.056 0.000 0.921 114 S CB -0.604 62.543 63.200 -0.088 0.000 0.789 114 S HN -0.539 7.509 8.310 -0.164 0.163 0.497 115 Q N -0.573 119.198 119.800 -0.049 0.000 2.396 115 Q HA 0.044 4.352 4.340 -0.052 0.000 0.209 115 Q C -0.843 175.174 176.000 0.028 0.000 0.906 115 Q CA 0.292 56.066 55.803 -0.049 0.000 0.927 115 Q CB 1.681 30.347 28.738 -0.120 0.000 1.069 115 Q HN 0.234 8.261 8.270 -0.064 0.205 0.523 116 L N -2.206 119.091 121.223 0.124 0.000 2.476 116 L HA 0.227 4.664 4.340 0.162 0.000 0.269 116 L C -1.745 175.287 176.870 0.271 0.000 0.965 116 L CA 0.054 55.023 54.840 0.215 0.000 0.845 116 L CB 1.893 44.162 42.059 0.349 0.000 1.259 116 L HN -0.957 7.315 8.230 0.135 0.039 0.403 117 H N 7.605 126.724 119.070 0.081 0.000 2.700 117 H HA 0.134 4.719 4.556 0.048 0.000 0.269 117 H C -1.066 174.296 175.328 0.056 0.000 1.222 117 H CA -1.482 54.598 56.048 0.054 0.000 1.254 117 H CB 0.300 30.082 29.762 0.034 0.000 1.413 117 H HN 0.123 8.554 8.280 0.252 0.000 0.507 118 I N 6.047 126.618 120.570 0.002 0.000 2.752 118 I HA -0.235 3.984 4.170 0.080 0.000 0.287 118 I C -0.890 175.180 176.117 -0.078 0.000 1.188 118 I CA 0.274 61.565 61.300 -0.014 0.000 1.427 118 I CB 0.588 38.544 38.000 -0.074 0.000 1.365 118 I HN 0.019 8.228 8.210 -0.002 0.000 0.585 119 T N 5.312 119.866 114.554 -0.001 0.000 2.769 119 T HA 0.375 4.683 4.350 -0.071 0.000 0.306 119 T C -1.464 173.251 174.700 0.026 0.000 1.400 119 T CA -2.222 59.867 62.100 -0.018 0.000 1.007 119 T CB 0.793 69.661 68.868 -0.000 0.000 1.392 119 T HN -0.692 7.593 8.240 0.076 0.000 0.500 120 P HA -0.096 4.327 4.420 0.005 0.000 0.218 120 P C -0.025 177.317 177.300 0.071 0.000 1.148 120 P CA 1.744 64.857 63.100 0.022 0.000 0.822 120 P CB 0.128 31.831 31.700 0.006 0.000 0.784 121 G N -3.829 105.014 108.800 0.072 0.000 2.985 121 G HA2 -0.011 4.003 3.960 0.089 0.000 0.209 121 G HA3 -0.011 3.991 3.960 0.070 0.000 0.209 121 G C -0.093 174.880 174.900 0.122 0.000 1.165 121 G CA -0.496 44.656 45.100 0.088 0.000 0.776 121 G HN -0.514 7.789 8.290 0.054 0.020 0.541 122 T N 4.227 118.874 114.554 0.156 0.000 2.916 122 T HA -0.171 4.263 4.350 0.140 0.000 0.303 122 T C -0.962 173.891 174.700 0.255 0.000 1.025 122 T CA 1.594 63.811 62.100 0.196 0.000 1.142 122 T CB 0.822 69.830 68.868 0.233 0.000 0.947 122 T HN -0.520 7.592 8.240 0.139 0.211 0.544 123 A N 7.128 130.029 122.820 0.134 0.000 2.301 123 A HA 0.146 4.560 4.320 0.157 0.000 0.312 123 A C 0.140 177.619 177.584 -0.174 0.000 1.182 123 A CA -1.195 50.884 52.037 0.070 0.000 0.826 123 A CB 1.621 20.657 19.000 0.060 0.000 1.134 123 A HN -0.125 8.085 8.150 0.099 0.000 0.501 124 Y N 4.235 124.164 120.300 -0.619 0.000 2.283 124 Y HA -0.584 2.603 4.550 -2.272 0.000 0.285 124 Y C 0.811 176.407 175.900 -0.507 0.000 1.176 124 Y CA 3.211 60.569 58.100 -1.236 0.000 1.229 124 Y CB -0.493 37.241 38.460 -1.210 0.000 0.975 124 Y HN 0.633 8.871 8.280 -0.070 0.000 0.537 125 Q N -0.299 119.251 119.800 -0.417 0.000 2.020 125 Q HA -0.395 3.504 4.340 -0.734 0.000 0.202 125 Q C 2.274 178.090 176.000 -0.306 0.000 0.982 125 Q CA 3.687 59.242 55.803 -0.413 0.000 0.838 125 Q CB -0.820 27.866 28.738 -0.088 0.000 0.899 125 Q HN 0.338 8.520 8.270 -0.068 0.047 0.423 126 S N -0.980 114.632 115.700 -0.148 0.000 2.440 126 S HA -0.289 4.158 4.470 -0.039 0.000 0.240 126 S C 1.908 176.519 174.600 0.019 0.000 1.014 126 S CA 2.711 60.886 58.200 -0.042 0.000 0.980 126 S CB -0.280 62.935 63.200 0.024 0.000 0.775 126 S HN -0.319 7.922 8.310 -0.116 0.000 0.499 127 F N 3.053 122.842 119.950 -0.268 0.000 2.104 127 F HA -0.050 4.476 4.527 -0.003 0.000 0.288 127 F C 0.770 176.422 175.800 -0.246 0.000 1.107 127 F CA 0.434 58.321 58.000 -0.188 0.000 1.208 127 F CB 0.282 39.133 39.000 -0.249 0.000 1.033 127 F HN -0.962 7.052 8.300 -0.179 0.179 0.478 128 E N -0.690 119.037 120.200 -0.788 0.000 2.333 128 E HA -0.471 3.107 4.350 -1.285 0.000 0.200 128 E C 2.586 178.960 176.600 -0.377 0.000 1.010 128 E CA 2.899 58.842 56.400 -0.762 0.000 0.841 128 E CB -0.695 28.692 29.700 -0.521 0.000 0.757 128 E HN -0.224 7.645 8.360 -0.818 0.000 0.508 129 Q N -1.288 118.360 119.800 -0.253 0.000 1.969 129 Q HA -0.276 4.005 4.340 -0.099 0.000 0.198 129 Q C 2.093 178.025 176.000 -0.112 0.000 0.978 129 Q CA 3.165 58.892 55.803 -0.128 0.000 0.830 129 Q CB 0.504 29.193 28.738 -0.081 0.000 0.896 129 Q HN -0.362 7.687 8.270 -0.262 0.064 0.431 130 V N -1.515 118.363 119.914 -0.061 0.000 2.324 130 V HA -0.385 3.686 4.120 -0.082 0.000 0.250 130 V C 1.747 177.765 176.094 -0.126 0.000 1.060 130 V CA 3.301 65.565 62.300 -0.060 0.000 1.042 130 V CB -1.230 30.611 31.823 0.029 0.000 0.650 130 V HN -0.839 7.342 8.190 -0.016 0.000 0.450 131 V N -1.518 118.308 119.914 -0.146 0.000 2.626 131 V HA -0.397 3.663 4.120 -0.101 0.000 0.252 131 V C 1.031 177.008 176.094 -0.194 0.000 1.067 131 V CA 3.616 65.784 62.300 -0.220 0.000 1.081 131 V CB -0.135 31.325 31.823 -0.605 0.000 0.686 131 V HN -0.320 7.769 8.190 -0.156 0.007 0.468 132 N N -0.350 118.236 118.700 -0.191 0.000 2.058 132 N HA -0.266 4.422 4.740 -0.087 0.000 0.191 132 N C 2.550 178.033 175.510 -0.046 0.000 1.037 132 N CA 2.601 55.605 53.050 -0.076 0.000 0.848 132 N CB -0.299 38.175 38.487 -0.022 0.000 1.021 132 N HN -0.420 7.669 8.380 -0.228 0.154 0.422 133 E N 0.595 120.748 120.200 -0.078 0.000 2.049 133 E HA -0.321 3.996 4.350 -0.055 0.000 0.198 133 E C 2.481 179.007 176.600 -0.124 0.000 1.007 133 E CA 2.625 58.975 56.400 -0.083 0.000 0.809 133 E CB -0.571 29.073 29.700 -0.092 0.000 0.749 133 E HN -0.544 7.761 8.360 -0.091 0.000 0.450 134 L N -1.485 119.620 121.223 -0.196 0.000 2.349 134 L HA -0.244 3.936 4.340 -0.268 0.000 0.220 134 L C 0.256 176.861 176.870 -0.442 0.000 1.130 134 L CA 2.681 57.329 54.840 -0.320 0.000 0.791 134 L CB -0.015 41.810 42.059 -0.389 0.000 0.918 134 L HN -0.656 7.460 8.230 -0.190 0.000 0.444 135 F N -4.682 115.145 119.950 -0.205 0.000 2.706 135 F HA 0.188 4.576 4.527 -0.232 0.000 0.313 135 F C 0.920 176.620 175.800 -0.167 0.000 1.096 135 F CA -0.379 57.484 58.000 -0.229 0.000 1.219 135 F CB 1.034 39.844 39.000 -0.316 0.000 1.051 135 F HN -0.379 7.660 8.300 -0.073 0.218 0.568 136 R N 1.726 122.236 120.500 0.016 0.000 2.083 136 R HA -0.260 4.108 4.340 0.048 0.000 0.237 136 R C 0.878 177.183 176.300 0.008 0.000 1.137 136 R CA 3.162 59.272 56.100 0.016 0.000 0.951 136 R CB 0.177 30.470 30.300 -0.013 0.000 0.851 136 R HN -0.121 7.911 8.270 -0.036 0.216 0.434 137 D N 0.022 120.404 120.400 -0.031 0.000 2.545 137 D HA -0.060 4.569 4.640 -0.018 0.000 0.227 137 D C 0.112 176.383 176.300 -0.047 0.000 1.150 137 D CA 0.308 54.285 54.000 -0.038 0.000 1.046 137 D CB -1.950 38.812 40.800 -0.063 0.000 1.098 137 D HN -0.309 8.026 8.370 -0.058 0.000 0.502 138 G N 1.110 109.905 108.800 -0.008 0.000 2.622 138 G HA2 -0.433 3.572 3.960 0.075 0.000 0.272 138 G HA3 -0.433 3.514 3.960 -0.022 0.000 0.272 138 G C -2.604 172.178 174.900 -0.195 0.000 1.308 138 G CA -0.044 45.041 45.100 -0.024 0.000 0.919 138 G HN -0.265 8.002 8.290 0.023 0.037 0.565 139 V N -0.679 118.896 119.914 -0.564 0.000 2.686 139 V HA 0.235 4.099 4.120 -0.426 0.000 0.306 139 V C -1.701 173.716 176.094 -1.128 0.000 1.065 139 V CA -1.421 60.300 62.300 -0.965 0.000 0.894 139 V CB 2.041 32.748 31.823 -1.860 0.000 1.004 139 V HN -0.020 7.871 8.190 -0.497 0.000 0.424 140 N N 5.509 123.775 118.700 -0.724 0.000 2.371 140 N HA 0.155 4.146 4.740 -1.247 0.000 0.280 140 N C 0.500 175.674 175.510 -0.560 0.000 1.084 140 N CA -1.116 51.409 53.050 -0.876 0.000 0.892 140 N CB 1.787 39.853 38.487 -0.701 0.000 1.653 140 N HN -0.434 7.686 8.380 -0.432 0.000 0.480 141 W N 1.390 122.644 121.300 -0.077 0.000 2.257 141 W HA -0.442 4.188 4.660 -0.049 0.000 0.325 141 W C 1.532 178.024 176.519 -0.044 0.000 1.296 141 W CA 3.484 60.821 57.345 -0.013 0.000 1.297 141 W CB -1.820 27.730 29.460 0.151 0.000 1.131 141 W HN 0.559 7.767 8.180 -1.620 0.000 0.492 142 G N -0.951 107.931 108.800 0.137 0.000 2.586 142 G HA2 -0.373 3.642 3.960 0.093 0.000 0.218 142 G HA3 -0.373 3.593 3.960 0.010 0.000 0.218 142 G C 1.292 176.129 174.900 -0.104 0.000 1.216 142 G CA 1.932 47.053 45.100 0.035 0.000 0.786 142 G HN 0.183 8.527 8.290 0.099 0.005 0.583 143 R N 1.628 122.021 120.500 -0.177 0.000 2.127 143 R HA -0.297 3.801 4.340 -0.404 0.000 0.238 143 R C 2.634 178.875 176.300 -0.099 0.000 1.134 143 R CA 2.772 58.685 56.100 -0.311 0.000 0.975 143 R CB -0.139 29.892 30.300 -0.449 0.000 0.865 143 R HN -0.666 7.760 8.270 -0.187 -0.268 0.447 144 I N 0.281 120.957 120.570 0.176 0.000 2.076 144 I HA -0.583 4.161 4.170 0.956 0.000 0.237 144 I C 1.616 177.949 176.117 0.360 0.000 1.059 144 I CA 4.350 65.929 61.300 0.464 0.000 1.317 144 I CB -0.291 37.834 38.000 0.209 0.000 1.037 144 I HN -0.251 7.895 8.210 0.073 0.108 0.398 145 V N -0.609 119.283 119.914 -0.037 0.000 2.295 145 V HA -0.605 3.287 4.120 -0.381 0.000 0.246 145 V C 1.829 177.763 176.094 -0.267 0.000 1.049 145 V CA 4.611 66.786 62.300 -0.208 0.000 1.024 145 V CB -0.632 31.109 31.823 -0.137 0.000 0.648 145 V HN -0.080 8.081 8.190 -0.048 0.000 0.447 146 A N -0.752 121.743 122.820 -0.543 0.000 2.032 146 A HA -0.340 2.222 4.320 -2.931 0.000 0.221 146 A C 1.690 178.973 177.584 -0.501 0.000 1.165 146 A CA 2.984 54.182 52.037 -1.399 0.000 0.645 146 A CB -0.682 17.583 19.000 -1.226 0.000 0.807 146 A HN 0.195 8.118 8.150 -0.378 0.000 0.453 147 F N -0.234 119.615 119.950 -0.170 0.000 2.094 147 F HA -0.278 4.320 4.527 0.118 0.000 0.291 147 F C 1.078 177.095 175.800 0.362 0.000 1.109 147 F CA 1.689 59.774 58.000 0.142 0.000 1.221 147 F CB -0.034 39.124 39.000 0.263 0.000 1.014 147 F HN -0.397 7.802 8.300 0.091 0.156 0.473 148 F N -0.932 118.498 119.950 -0.867 0.000 2.063 148 F HA -0.632 3.095 4.527 -1.333 0.000 0.297 148 F C 2.319 177.956 175.800 -0.272 0.000 1.099 148 F CA 4.136 61.615 58.000 -0.868 0.000 1.220 148 F CB -0.723 37.855 39.000 -0.702 0.000 0.972 148 F HN -0.004 8.422 8.300 0.210 0.000 0.487 149 S N -1.303 114.465 115.700 0.113 0.000 2.365 149 S HA -0.466 4.332 4.470 0.546 0.000 0.225 149 S C 1.976 176.912 174.600 0.559 0.000 1.039 149 S CA 3.182 61.629 58.200 0.411 0.000 1.033 149 S CB -0.116 63.396 63.200 0.520 0.000 0.887 149 S HN -0.427 7.905 8.310 0.035 -0.001 0.447 150 F N 1.961 122.163 119.950 0.420 0.000 2.063 150 F HA -0.363 4.478 4.527 0.523 0.000 0.297 150 F C 1.528 177.489 175.800 0.267 0.000 1.099 150 F CA 2.222 60.462 58.000 0.400 0.000 1.220 150 F CB -0.905 38.304 39.000 0.349 0.000 0.972 150 F HN -0.145 8.445 8.300 0.623 0.083 0.487 151 G N -2.494 106.211 108.800 -0.158 0.000 2.433 151 G HA2 -0.456 3.071 3.960 -0.723 0.000 0.216 151 G HA3 -0.456 3.348 3.960 -0.261 0.000 0.216 151 G C 1.110 175.933 174.900 -0.129 0.000 1.186 151 G CA 1.693 46.584 45.100 -0.348 0.000 0.779 151 G HN -0.527 7.757 8.290 -0.017 -0.005 0.543 152 G N 1.200 110.068 108.800 0.113 0.000 2.505 152 G HA2 -0.456 3.346 3.960 -0.263 0.000 0.220 152 G HA3 -0.456 3.610 3.960 0.177 0.000 0.220 152 G C 0.775 175.693 174.900 0.030 0.000 1.145 152 G CA 2.035 47.136 45.100 0.002 0.000 0.761 152 G HN -0.439 7.999 8.290 0.344 0.058 0.571 153 A N 0.611 123.551 122.820 0.200 0.000 1.902 153 A HA -0.304 4.144 4.320 0.213 0.000 0.217 153 A C 1.649 179.261 177.584 0.047 0.000 1.181 153 A CA 2.847 55.020 52.037 0.227 0.000 0.623 153 A CB -0.515 18.773 19.000 0.479 0.000 0.818 153 A HN -0.008 8.330 8.150 0.325 0.007 0.443 154 L N -1.772 119.414 121.223 -0.061 0.000 2.043 154 L HA -0.342 3.940 4.340 -0.096 0.000 0.212 154 L C 2.392 179.153 176.870 -0.183 0.000 1.075 154 L CA 3.331 58.075 54.840 -0.160 0.000 0.752 154 L CB -1.099 40.759 42.059 -0.335 0.000 0.891 154 L HN -0.293 7.790 8.230 -0.085 0.097 0.432 155 C N -1.481 117.696 119.300 -0.205 0.000 2.436 155 C HA -0.465 3.837 4.460 -0.263 0.000 0.277 155 C C 1.713 176.548 174.990 -0.257 0.000 1.241 155 C CA 5.639 64.510 59.018 -0.246 0.000 1.721 155 C CB -0.893 26.689 27.740 -0.263 0.000 2.043 155 C HN -0.297 7.810 8.230 -0.196 0.005 0.472 156 V N -0.103 119.700 119.914 -0.186 0.000 2.453 156 V HA -0.590 3.368 4.120 -0.269 0.000 0.252 156 V C 1.968 177.971 176.094 -0.151 0.000 1.068 156 V CA 4.926 67.128 62.300 -0.163 0.000 1.070 156 V CB -0.375 31.435 31.823 -0.021 0.000 0.664 156 V HN -0.277 7.831 8.190 -0.136 0.000 0.461 157 E N -0.593 119.539 120.200 -0.114 0.000 2.107 157 E HA -0.287 4.029 4.350 -0.058 0.000 0.191 157 E C 2.365 178.868 176.600 -0.162 0.000 0.982 157 E CA 2.733 59.075 56.400 -0.098 0.000 0.809 157 E CB -0.191 29.471 29.700 -0.064 0.000 0.756 157 E HN -0.093 8.086 8.360 -0.101 0.119 0.459 158 S N 0.462 116.035 115.700 -0.211 0.000 2.343 158 S HA -0.384 3.964 4.470 -0.203 0.000 0.219 158 S C 2.314 176.756 174.600 -0.263 0.000 1.033 158 S CA 4.094 62.157 58.200 -0.229 0.000 1.014 158 S CB 0.072 63.125 63.200 -0.245 0.000 0.915 158 S HN -0.356 7.732 8.310 -0.211 0.096 0.435 159 V N -0.139 119.538 119.914 -0.396 0.000 2.282 159 V HA -0.576 3.265 4.120 -0.465 0.000 0.249 159 V C 1.495 177.391 176.094 -0.330 0.000 1.057 159 V CA 4.158 66.127 62.300 -0.552 0.000 1.032 159 V CB -0.574 30.503 31.823 -1.243 0.000 0.645 159 V HN 0.010 7.947 8.190 -0.422 0.000 0.447 160 D N -0.099 120.166 120.400 -0.226 0.000 2.228 160 D HA -0.288 4.393 4.640 0.069 0.000 0.203 160 D C 1.006 177.276 176.300 -0.049 0.000 0.988 160 D CA 2.799 56.774 54.000 -0.041 0.000 0.864 160 D CB -0.006 40.786 40.800 -0.014 0.000 0.928 160 D HN -0.549 7.651 8.370 -0.284 0.000 0.469 161 K N -2.404 117.939 120.400 -0.096 0.000 2.493 161 K HA 0.046 4.339 4.320 -0.046 0.000 0.207 161 K C -1.398 175.154 176.600 -0.079 0.000 1.033 161 K CA -0.600 55.642 56.287 -0.076 0.000 1.161 161 K CB 0.322 32.767 32.500 -0.092 0.000 0.873 161 K HN -0.534 7.461 8.250 -0.142 0.170 0.491 162 E N -5.639 114.504 120.200 -0.095 0.000 2.360 162 E HA -0.400 3.914 4.350 -0.123 -0.037 0.238 162 E C -0.726 175.820 176.600 -0.089 0.000 1.186 162 E CA 1.441 57.789 56.400 -0.087 0.000 0.719 162 E CB -3.034 26.647 29.700 -0.032 0.000 1.236 162 E HN 0.476 8.565 8.360 -0.107 0.207 0.386 163 M N -2.076 117.443 119.600 -0.135 0.000 2.911 163 M HA 0.269 4.703 4.480 -0.076 0.000 0.381 163 M C 0.351 176.559 176.300 -0.153 0.000 1.287 163 M CA -0.685 54.544 55.300 -0.118 0.000 0.858 163 M CB 0.412 32.942 32.600 -0.118 0.000 1.385 163 M HN -0.238 7.838 8.290 -0.178 0.107 0.504 164 Q N 0.886 120.574 119.800 -0.187 0.000 2.268 164 Q HA -0.313 3.858 4.340 -0.281 0.000 0.210 164 Q C 1.612 177.547 176.000 -0.109 0.000 0.988 164 Q CA 2.745 58.423 55.803 -0.209 0.000 0.883 164 Q CB -1.853 26.723 28.738 -0.270 0.000 0.911 164 Q HN 0.279 8.372 8.270 -0.197 0.059 0.430 165 V N -0.211 119.673 119.914 -0.051 0.000 2.527 165 V HA -0.423 3.693 4.120 -0.007 0.000 0.255 165 V C 1.525 177.549 176.094 -0.117 0.000 1.081 165 V CA 2.907 65.180 62.300 -0.045 0.000 1.092 165 V CB -0.332 31.472 31.823 -0.031 0.000 0.673 165 V HN -0.433 7.701 8.190 -0.034 0.035 0.470 166 L N -1.608 119.518 121.223 -0.161 0.000 2.056 166 L HA -0.366 3.822 4.340 -0.254 0.000 0.207 166 L C 2.169 178.876 176.870 -0.272 0.000 1.078 166 L CA 2.840 57.539 54.840 -0.235 0.000 0.749 166 L CB -0.481 41.437 42.059 -0.236 0.000 0.901 166 L HN 0.189 8.173 8.230 -0.150 0.156 0.433 167 V N -0.783 118.993 119.914 -0.230 0.000 2.257 167 V HA -0.535 3.434 4.120 -0.251 0.000 0.257 167 V C 2.457 178.424 176.094 -0.212 0.000 1.077 167 V CA 3.866 66.033 62.300 -0.222 0.000 1.063 167 V CB -1.526 30.189 31.823 -0.180 0.000 0.664 167 V HN -0.006 7.961 8.190 -0.212 0.096 0.450 168 S N -2.247 113.351 115.700 -0.170 0.000 2.374 168 S HA -0.361 4.039 4.470 -0.117 0.000 0.227 168 S C 2.030 176.494 174.600 -0.227 0.000 1.037 168 S CA 3.320 61.430 58.200 -0.151 0.000 1.024 168 S CB -0.113 63.022 63.200 -0.107 0.000 0.861 168 S HN -0.114 8.116 8.310 -0.142 -0.005 0.456 169 R N 0.036 120.327 120.500 -0.349 0.000 2.078 169 R HA -0.287 3.746 4.340 -0.512 0.000 0.224 169 R C 2.204 178.063 176.300 -0.734 0.000 1.149 169 R CA 2.973 58.703 56.100 -0.618 0.000 0.916 169 R CB -0.317 29.495 30.300 -0.812 0.000 0.821 169 R HN 0.025 7.983 8.270 -0.319 0.121 0.434 170 I N -0.161 119.984 120.570 -0.708 0.000 2.290 170 I HA -0.488 3.445 4.170 -0.396 0.000 0.253 170 I C 1.415 177.430 176.117 -0.171 0.000 1.112 170 I CA 2.872 63.908 61.300 -0.440 0.000 1.377 170 I CB -0.140 37.618 38.000 -0.402 0.000 1.060 170 I HN -0.532 7.270 8.210 -0.681 0.000 0.428 171 A N -1.458 121.254 122.820 -0.181 0.000 1.902 171 A HA -0.320 3.972 4.320 -0.047 0.000 0.217 171 A C 1.398 178.999 177.584 0.029 0.000 1.181 171 A CA 2.952 54.948 52.037 -0.068 0.000 0.623 171 A CB -0.832 18.117 19.000 -0.086 0.000 0.818 171 A HN -0.056 7.908 8.150 -0.254 0.034 0.443 172 A N -1.427 121.393 122.820 -0.001 0.000 1.970 172 A HA -0.074 4.313 4.320 0.112 0.000 0.216 172 A C 2.117 179.900 177.584 0.331 0.000 1.170 172 A CA 2.461 54.564 52.037 0.110 0.000 0.645 172 A CB -0.602 18.427 19.000 0.049 0.000 0.816 172 A HN 0.219 8.188 8.150 -0.123 0.107 0.447 173 W N -2.126 119.296 121.300 0.203 0.000 2.374 173 W HA -0.244 4.655 4.660 0.398 0.000 0.288 173 W C 2.149 178.953 176.519 0.475 0.000 1.218 173 W CA 2.396 59.978 57.345 0.395 0.000 1.245 173 W CB -0.869 28.881 29.460 0.484 0.000 1.126 173 W HN -0.015 8.198 8.180 0.190 0.081 0.545 174 M N -0.498 119.457 119.600 0.591 0.000 2.098 174 M HA -0.460 4.407 4.480 0.645 0.000 0.262 174 M C 1.682 178.201 176.300 0.366 0.000 1.072 174 M CA 4.359 59.952 55.300 0.489 0.000 1.133 174 M CB -0.090 32.672 32.600 0.270 0.000 1.344 174 M HN -0.393 8.144 8.290 0.444 0.019 0.414 175 A N -2.959 120.023 122.820 0.270 0.000 2.084 175 A HA -0.311 4.138 4.320 0.216 0.000 0.221 175 A C 1.983 179.705 177.584 0.229 0.000 1.161 175 A CA 2.912 55.082 52.037 0.221 0.000 0.653 175 A CB -0.980 18.120 19.000 0.166 0.000 0.802 175 A HN -0.416 7.879 8.150 0.242 0.000 0.457 176 T N -0.858 113.867 114.554 0.285 0.000 2.894 176 T HA -0.164 4.291 4.350 0.175 0.000 0.258 176 T C 0.743 175.584 174.700 0.236 0.000 1.043 176 T CA 3.334 65.582 62.100 0.248 0.000 1.141 176 T CB 0.402 69.446 68.868 0.293 0.000 0.873 176 T HN -0.632 7.653 8.240 0.353 0.167 0.449 177 Y N 0.335 120.734 120.300 0.166 0.000 2.286 177 Y HA -0.259 4.327 4.550 0.061 0.000 0.293 177 Y C 1.240 177.159 175.900 0.032 0.000 1.124 177 Y CA 3.332 61.464 58.100 0.054 0.000 1.178 177 Y CB 0.736 39.141 38.460 -0.092 0.000 1.010 177 Y HN -0.705 7.764 8.280 0.463 0.088 0.536 178 L N -3.338 118.043 121.223 0.263 0.000 2.275 178 L HA -0.419 4.029 4.340 0.180 0.000 0.215 178 L C 1.096 178.060 176.870 0.157 0.000 1.119 178 L CA 3.147 58.123 54.840 0.227 0.000 0.790 178 L CB -0.108 42.150 42.059 0.331 0.000 0.919 178 L HN 0.783 9.104 8.230 0.332 0.108 0.443 179 N N -3.277 115.497 118.700 0.124 0.000 2.280 179 N HA -0.064 4.735 4.740 0.099 0.000 0.192 179 N C -0.652 174.860 175.510 0.004 0.000 1.109 179 N CA 1.497 54.597 53.050 0.084 0.000 0.855 179 N CB 0.237 38.785 38.487 0.102 0.000 0.974 179 N HN -0.462 7.867 8.380 0.145 0.138 0.482 180 D N -2.724 117.640 120.400 -0.061 0.000 2.525 180 D HA 0.050 4.616 4.640 -0.123 0.000 0.231 180 D C -0.738 175.380 176.300 -0.304 0.000 1.216 180 D CA 0.744 54.651 54.000 -0.155 0.000 0.813 180 D CB 1.525 42.245 40.800 -0.133 0.000 1.108 180 D HN -0.533 7.609 8.370 -0.055 0.195 0.524 181 H N -1.018 117.804 119.070 -0.414 0.000 3.297 181 H HA 0.157 4.475 4.556 -0.396 0.000 0.254 181 H C -1.482 173.629 175.328 -0.362 0.000 1.192 181 H CA 0.453 56.178 56.048 -0.539 0.000 1.058 181 H CB 2.062 31.066 29.762 -1.263 0.000 1.777 181 H HN 0.219 8.387 8.280 -0.186 0.000 0.696 182 L N -3.219 117.966 121.223 -0.064 0.000 2.406 182 L HA 0.093 4.425 4.340 -0.012 0.000 0.228 182 L C 1.113 178.017 176.870 0.057 0.000 1.081 182 L CA 0.762 55.594 54.840 -0.013 0.000 1.089 182 L CB 1.568 43.611 42.059 -0.025 0.000 2.191 182 L HN -0.738 7.456 8.230 -0.060 0.000 0.520 183 E N 1.125 121.352 120.200 0.046 0.000 2.095 183 E HA -0.267 4.096 4.350 0.022 0.000 0.212 183 E C -1.111 175.481 176.600 -0.014 0.000 1.044 183 E CA 4.881 61.297 56.400 0.027 0.000 0.857 183 E CB -2.543 27.183 29.700 0.043 0.000 0.764 183 E HN 0.179 8.464 8.360 0.050 0.105 0.462 184 P HA -0.174 4.196 4.420 -0.083 0.000 0.218 184 P C 0.115 177.366 177.300 -0.081 0.000 1.146 184 P CA 2.014 65.074 63.100 -0.067 0.000 0.813 184 P CB -0.262 31.384 31.700 -0.090 0.000 0.778 185 W N -3.556 117.662 121.300 -0.136 0.000 2.488 185 W HA -0.169 4.418 4.660 -0.121 0.000 0.304 185 W C 2.249 178.676 176.519 -0.154 0.000 1.175 185 W CA 2.940 60.203 57.345 -0.137 0.000 1.365 185 W CB 0.547 29.920 29.460 -0.145 0.000 1.131 185 W HN -0.102 8.010 8.180 0.167 0.168 0.520 186 I N 1.243 121.872 120.570 0.097 0.000 2.423 186 I HA -0.489 3.792 4.170 -0.028 -0.127 0.254 186 I C 1.355 177.364 176.117 -0.180 0.000 1.151 186 I CA 2.556 63.770 61.300 -0.143 0.000 1.421 186 I CB 0.248 37.906 38.000 -0.571 0.000 1.079 186 I HN 0.508 8.665 8.210 0.092 0.108 0.431 187 Q N -2.959 116.757 119.800 -0.139 0.000 2.451 187 Q HA -0.196 4.058 4.340 -0.143 0.000 0.206 187 Q C 1.338 177.277 176.000 -0.101 0.000 0.947 187 Q CA 1.791 57.520 55.803 -0.124 0.000 0.937 187 Q CB 0.051 28.729 28.738 -0.100 0.000 1.025 187 Q HN -0.399 7.776 8.270 -0.105 0.032 0.511 188 E N -1.850 118.282 120.200 -0.113 0.000 2.481 188 E HA 0.010 4.278 4.350 -0.136 0.000 0.198 188 E C -0.405 176.154 176.600 -0.068 0.000 1.027 188 E CA 0.023 56.328 56.400 -0.158 0.000 0.900 188 E CB 0.938 30.422 29.700 -0.361 0.000 0.993 188 E HN -0.032 8.060 8.360 -0.090 0.214 0.482 189 N N -2.075 116.652 118.700 0.045 0.000 2.299 189 N HA 0.056 4.894 4.740 0.164 0.000 0.246 189 N C -0.154 175.452 175.510 0.160 0.000 1.254 189 N CA -0.803 52.358 53.050 0.186 0.000 0.879 189 N CB -0.141 38.590 38.487 0.407 0.000 1.214 189 N HN -0.728 7.503 8.380 0.024 0.163 0.510 190 G N -1.585 107.250 108.800 0.057 0.000 2.204 190 G HA2 -0.381 3.589 3.960 0.017 0.000 0.244 190 G HA3 -0.381 3.619 3.960 0.066 0.000 0.244 190 G C 0.200 175.101 174.900 0.003 0.000 1.062 190 G CA -0.207 44.917 45.100 0.039 0.000 0.798 190 G HN -0.222 8.018 8.290 0.018 0.061 0.496 191 G N -0.732 108.007 108.800 -0.103 0.000 2.582 191 G HA2 -0.444 3.225 3.960 -0.563 0.000 0.300 191 G HA3 -0.444 3.350 3.960 -0.276 0.000 0.300 191 G C -0.291 174.456 174.900 -0.255 0.000 1.300 191 G CA 0.231 45.130 45.100 -0.335 0.000 0.959 191 G HN -0.070 8.163 8.290 -0.094 0.000 0.548 192 W N -1.963 119.419 121.300 0.136 0.000 2.494 192 W HA -0.074 4.701 4.660 0.192 0.000 0.286 192 W C 0.912 177.529 176.519 0.162 0.000 1.218 192 W CA 1.450 58.889 57.345 0.157 0.000 1.313 192 W CB 0.030 29.558 29.460 0.113 0.000 1.105 192 W HN -0.036 7.905 8.180 -0.398 0.000 0.561 193 D N -1.207 119.380 120.400 0.312 0.000 2.244 193 D HA -0.345 4.411 4.640 0.194 0.000 0.197 193 D C 1.511 177.894 176.300 0.138 0.000 1.006 193 D CA 3.393 57.508 54.000 0.193 0.000 0.888 193 D CB -0.488 40.392 40.800 0.133 0.000 0.912 193 D HN 0.154 8.712 8.370 0.312 0.000 0.452 194 T N -0.386 114.252 114.554 0.140 0.000 2.851 194 T HA -0.265 4.099 4.350 0.022 0.000 0.262 194 T C 1.131 175.847 174.700 0.027 0.000 1.043 194 T CA 2.929 65.067 62.100 0.064 0.000 1.140 194 T CB -0.196 68.718 68.868 0.076 0.000 0.872 194 T HN -0.749 7.547 8.240 0.163 0.042 0.446 195 F N 2.628 122.581 119.950 0.005 0.000 2.126 195 F HA -0.310 4.099 4.527 -0.196 0.000 0.299 195 F C 1.033 176.832 175.800 -0.003 0.000 1.096 195 F CA 3.322 61.309 58.000 -0.021 0.000 1.255 195 F CB 0.160 39.245 39.000 0.140 0.000 0.997 195 F HN -0.269 8.159 8.300 0.366 0.091 0.479 196 V N -5.528 114.430 119.914 0.072 0.000 3.041 196 V HA -0.370 3.656 4.120 -0.156 0.000 0.260 196 V C 1.411 177.451 176.094 -0.090 0.000 1.105 196 V CA 3.114 65.392 62.300 -0.036 0.000 1.125 196 V CB -0.650 31.223 31.823 0.085 0.000 0.730 196 V HN -0.340 7.995 8.190 0.256 0.009 0.479 197 E N -3.059 117.098 120.200 -0.072 0.000 2.479 197 E HA -0.087 4.224 4.350 -0.065 0.000 0.193 197 E C -0.589 175.936 176.600 -0.125 0.000 1.049 197 E CA 0.505 56.860 56.400 -0.076 0.000 0.870 197 E CB 0.016 29.695 29.700 -0.036 0.000 0.944 197 E HN -0.652 7.514 8.360 -0.036 0.173 0.492 198 L N -1.690 119.418 121.223 -0.192 0.000 2.919 198 L HA 0.029 4.281 4.340 -0.147 0.000 0.169 198 L C 0.639 177.412 176.870 -0.162 0.000 1.228 198 L CA 1.451 56.186 54.840 -0.175 0.000 0.862 198 L CB 1.979 43.883 42.059 -0.257 0.000 1.313 198 L HN -0.768 7.136 8.230 -0.237 0.184 0.526 199 Y N -0.840 119.126 120.300 -0.556 0.000 2.883 199 Y HA 0.102 4.458 4.550 -0.324 0.000 0.385 199 Y C -1.346 174.234 175.900 -0.533 0.000 1.067 199 Y CA -1.230 56.566 58.100 -0.506 0.000 1.682 199 Y CB -1.229 36.914 38.460 -0.528 0.000 1.606 199 Y HN -0.704 7.360 8.280 -0.360 0.000 0.508 200 G N -2.514 106.119 108.800 -0.279 0.000 2.605 200 G HA2 0.236 4.079 3.960 -0.195 0.000 0.296 200 G HA3 0.236 4.199 3.960 -0.197 -0.122 0.296 200 G C -1.355 173.464 174.900 -0.134 0.000 1.304 200 G CA -2.276 42.701 45.100 -0.206 0.000 0.941 200 G HN -0.997 7.072 8.290 -0.249 0.072 0.475 201 N N 2.177 120.823 118.700 -0.091 0.000 2.018 201 N HA -0.553 4.146 4.740 -0.069 0.000 0.197 201 N C 2.101 177.571 175.510 -0.067 0.000 1.071 201 N CA 4.301 57.310 53.050 -0.068 0.000 0.887 201 N CB -0.180 38.281 38.487 -0.045 0.000 1.077 201 N HN 0.327 8.659 8.380 -0.080 0.000 0.469 202 N N 0.102 118.771 118.700 -0.051 0.000 2.187 202 N HA -0.431 4.286 4.740 -0.037 0.000 0.194 202 N C 1.439 176.914 175.510 -0.058 0.000 1.002 202 N CA 3.125 56.148 53.050 -0.044 0.000 0.882 202 N CB -0.346 38.122 38.487 -0.031 0.000 1.003 202 N HN 0.182 8.536 8.380 -0.043 0.000 0.443 203 A N -0.114 122.658 122.820 -0.080 0.000 1.872 203 A HA -0.263 4.009 4.320 -0.081 0.000 0.214 203 A C 1.473 178.990 177.584 -0.111 0.000 1.187 203 A CA 2.554 54.532 52.037 -0.100 0.000 0.614 203 A CB -0.610 18.309 19.000 -0.134 0.000 0.826 203 A HN -0.109 7.867 8.150 -0.086 0.122 0.442 204 A N -0.698 122.047 122.820 -0.124 0.000 1.873 204 A HA -0.432 3.792 4.320 -0.160 0.000 0.218 204 A C 1.693 179.224 177.584 -0.089 0.000 1.193 204 A CA 3.334 55.295 52.037 -0.126 0.000 0.629 204 A CB -0.633 18.296 19.000 -0.118 0.000 0.826 204 A HN 0.744 8.612 8.150 -0.125 0.207 0.447 205 A N -2.832 119.947 122.820 -0.068 0.000 1.902 205 A HA -0.317 3.975 4.320 -0.046 0.000 0.217 205 A C 1.894 179.451 177.584 -0.046 0.000 1.181 205 A CA 2.917 54.924 52.037 -0.049 0.000 0.623 205 A CB -0.797 18.180 19.000 -0.039 0.000 0.818 205 A HN -0.245 7.865 8.150 -0.068 0.000 0.443 206 E N -1.182 118.988 120.200 -0.050 0.000 2.085 206 E HA -0.404 3.926 4.350 -0.033 0.000 0.194 206 E C 2.128 178.702 176.600 -0.044 0.000 0.994 206 E CA 2.603 58.977 56.400 -0.043 0.000 0.801 206 E CB -0.547 29.126 29.700 -0.045 0.000 0.743 206 E HN -0.443 7.808 8.360 -0.056 0.076 0.453 207 S N -0.541 115.122 115.700 -0.061 0.000 2.353 207 S HA -0.373 4.066 4.470 -0.052 0.000 0.222 207 S C 2.258 176.833 174.600 -0.042 0.000 1.035 207 S CA 3.149 61.313 58.200 -0.060 0.000 1.025 207 S CB -0.311 62.834 63.200 -0.091 0.000 0.902 207 S HN -0.037 8.228 8.310 -0.075 0.000 0.440 208 R N 0.018 120.492 120.500 -0.043 0.000 2.096 208 R HA -0.375 3.950 4.340 -0.025 0.000 0.240 208 R C 2.286 178.577 176.300 -0.014 0.000 1.139 208 R CA 2.848 58.932 56.100 -0.028 0.000 0.952 208 R CB -0.415 29.867 30.300 -0.029 0.000 0.854 208 R HN -0.703 7.535 8.270 -0.054 0.000 0.436 209 K N -1.200 119.189 120.400 -0.018 0.000 2.071 209 K HA -0.304 4.008 4.320 -0.012 0.000 0.217 209 K C 2.390 178.990 176.600 0.000 0.000 1.054 209 K CA 2.730 59.010 56.287 -0.012 0.000 0.937 209 K CB -0.958 31.533 32.500 -0.016 0.000 0.719 209 K HN -0.142 8.093 8.250 -0.025 0.000 0.454 210 G N -2.336 106.465 108.800 0.001 0.000 2.524 210 G HA2 -0.337 3.639 3.960 0.026 0.000 0.215 210 G HA3 -0.337 3.630 3.960 0.011 0.000 0.215 210 G C 1.226 176.146 174.900 0.032 0.000 1.239 210 G CA 1.430 46.541 45.100 0.017 0.000 0.798 210 G HN -0.710 7.580 8.290 -0.009 -0.005 0.557 211 Q N 2.085 121.898 119.800 0.020 0.000 1.991 211 Q HA -0.494 3.868 4.340 0.037 0.000 0.213 211 Q C 2.142 178.173 176.000 0.051 0.000 1.022 211 Q CA 3.391 59.212 55.803 0.030 0.000 0.877 211 Q CB -0.097 28.648 28.738 0.010 0.000 0.970 211 Q HN -0.591 7.682 8.270 0.005 0.000 0.414 212 E N -2.630 117.594 120.200 0.039 0.000 2.253 212 E HA -0.350 4.036 4.350 0.060 0.000 0.202 212 E C 2.445 179.096 176.600 0.085 0.000 1.014 212 E CA 2.598 59.030 56.400 0.053 0.000 0.823 212 E CB -0.489 29.229 29.700 0.029 0.000 0.736 212 E HN -0.233 8.140 8.360 0.021 0.000 0.478 213 R N -1.585 118.959 120.500 0.073 0.000 2.051 213 R HA -0.212 4.162 4.340 0.057 0.000 0.225 213 R C 2.127 178.536 176.300 0.182 0.000 1.155 213 R CA 2.268 58.423 56.100 0.091 0.000 0.945 213 R CB -0.075 30.263 30.300 0.064 0.000 0.840 213 R HN 0.008 8.127 8.270 0.054 0.183 0.432 214 L N -0.131 121.194 121.223 0.171 0.000 1.991 214 L HA -0.395 4.111 4.340 0.278 0.000 0.221 214 L C 2.737 179.747 176.870 0.233 0.000 1.079 214 L CA 3.261 58.222 54.840 0.203 0.000 0.778 214 L CB -0.278 41.847 42.059 0.110 0.000 0.893 214 L HN 0.419 8.613 8.230 0.121 0.109 0.437 215 E N -1.759 118.547 120.200 0.177 0.000 2.114 215 E HA -0.549 3.922 4.350 0.202 0.000 0.199 215 E C 1.574 178.285 176.600 0.186 0.000 1.008 215 E CA 3.291 59.793 56.400 0.170 0.000 0.810 215 E CB -0.488 29.274 29.700 0.104 0.000 0.739 215 E HN -0.094 8.348 8.360 0.137 0.000 0.456 216 H N -0.787 118.352 119.070 0.114 0.000 2.422 216 H HA -0.244 4.399 4.556 0.145 0.000 0.298 216 H C 2.050 177.457 175.328 0.133 0.000 1.098 216 H CA 3.834 59.946 56.048 0.106 0.000 1.315 216 H CB 0.041 29.822 29.762 0.032 0.000 1.382 216 H HN -0.400 7.951 8.280 0.282 0.099 0.523 217 H N 0.852 120.070 119.070 0.247 0.000 2.267 217 H HA -0.332 4.383 4.556 0.265 0.000 0.302 217 H C 1.917 177.341 175.328 0.159 0.000 1.056 217 H CA 4.341 60.509 56.048 0.201 0.000 1.269 217 H CB 0.335 30.175 29.762 0.129 0.000 1.385 217 H HN 0.198 8.545 8.280 0.364 0.151 0.501 218 H N -0.594 118.622 119.070 0.244 0.000 2.400 218 H HA -0.363 4.272 4.556 0.132 0.000 0.295 218 H C 1.661 177.126 175.328 0.227 0.000 1.118 218 H CA 3.077 59.226 56.048 0.167 0.000 1.256 218 H CB -0.412 29.406 29.762 0.093 0.000 1.365 218 H HN -0.459 8.063 8.280 0.403 0.000 0.502 219 H N -2.593 116.223 119.070 -0.423 0.000 2.293 219 H HA -0.296 3.822 4.556 -0.730 0.000 0.300 219 H C 1.797 177.029 175.328 -0.161 0.000 1.082 219 H CA 1.838 57.612 56.048 -0.456 0.000 1.308 219 H CB 0.539 30.090 29.762 -0.352 0.000 1.375 219 H HN -0.484 7.774 8.280 -0.001 0.021 0.495 220 H N -1.475 117.543 119.070 -0.086 0.000 2.428 220 H HA -0.214 4.226 4.556 -0.193 0.000 0.296 220 H C 0.599 175.954 175.328 0.045 0.000 1.062 220 H CA 0.582 56.581 56.048 -0.082 0.000 1.350 220 H CB 0.759 30.498 29.762 -0.037 0.000 1.403 220 H HN -0.489 7.795 8.280 0.128 0.072 0.533 221 H N 0.000 118.940 119.070 -0.216 0.000 2.539 221 H HA 0.000 4.316 4.556 -0.401 0.000 0.296 221 H CA 0.000 55.921 56.048 -0.211 0.000 1.023 221 H CB 0.000 29.759 29.762 -0.006 0.000 1.292 221 H HN 0.000 8.151 8.280 0.137 0.212 0.496