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 1zwo_3_A DATA FIRST_RESID 1 DATA SEQUENCE SKTGGKISFY EDRNFQGRRY DCDCDCADFR SYLSRCNSIR VEGGTWAVYE DATA SEQUENCE RPNFSGHMYI LPQGEYPEYQ RWMGLNDRLG SCRAVHLSSG GQAKIQVFEK DATA SEQUENCE GDFNGQMYET TEDCPSIMEQ FHLREIHSCK VVEGTWIFYE LPNYRGRQYL DATA SEQUENCE LDKKEYRKPV DWGAASPAIQ SFRRIVE 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 S HA 0.000 4.491 4.470 0.035 0.000 0.327 1 S C 0.000 174.628 174.600 0.047 0.000 1.055 1 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 K N -1.546 118.881 120.400 0.045 0.000 2.826 2 K HA 0.130 4.485 4.320 0.059 0.000 0.187 2 K C 0.298 176.927 176.600 0.048 0.000 1.662 2 K CA 0.349 56.664 56.287 0.048 0.000 1.307 2 K CB 0.485 33.005 32.500 0.033 0.000 1.792 2 K HN -0.309 7.964 8.250 0.039 0.000 0.618 3 T N 2.197 116.776 114.554 0.041 0.000 2.652 3 T HA -0.167 4.204 4.350 0.034 0.000 0.267 3 T C 0.479 175.211 174.700 0.055 0.000 1.039 3 T CA 1.671 63.794 62.100 0.039 0.000 1.153 3 T CB 0.092 68.979 68.868 0.031 0.000 0.863 3 T HN -0.334 7.927 8.240 0.035 0.000 0.428 4 G N 0.563 109.402 108.800 0.066 0.000 2.502 4 G HA2 0.233 4.250 3.960 0.096 0.000 0.311 4 G HA3 0.233 4.242 3.960 0.083 0.000 0.311 4 G C -1.079 173.901 174.900 0.134 0.000 1.270 4 G CA -0.748 44.407 45.100 0.093 0.000 0.948 4 G HN -0.454 7.872 8.290 0.059 0.000 0.487 5 G N 1.497 110.415 108.800 0.196 0.000 2.483 5 G HA2 0.053 4.177 3.960 0.270 0.000 0.248 5 G HA3 0.053 4.262 3.960 0.413 0.000 0.248 5 G C -2.021 173.120 174.900 0.402 0.000 1.248 5 G CA -0.378 44.926 45.100 0.341 0.000 0.838 5 G HN 0.253 8.646 8.290 0.171 0.000 0.566 6 K N 2.459 123.013 120.400 0.256 0.000 2.543 6 K HA 0.687 5.142 4.320 -0.066 -0.174 0.255 6 K C -2.426 173.984 176.600 -0.317 0.000 0.934 6 K CA -0.681 55.584 56.287 -0.037 0.000 0.810 6 K CB 4.565 37.054 32.500 -0.018 0.000 1.315 6 K HN -0.137 8.275 8.250 0.271 0.000 0.433 7 I N 3.975 124.169 120.570 -0.627 0.000 2.647 7 I HA 0.706 4.657 4.170 -0.597 -0.139 0.295 7 I C -3.150 172.521 176.117 -0.743 0.000 1.078 7 I CA -2.200 58.616 61.300 -0.807 0.000 1.048 7 I CB 4.301 41.529 38.000 -1.288 0.000 1.239 7 I HN 0.532 8.385 8.210 -0.596 0.000 0.421 8 S N 6.397 121.655 115.700 -0.737 0.000 2.502 8 S HA 0.895 5.337 4.470 -0.403 -0.214 0.304 8 S C -1.161 172.918 174.600 -0.869 0.000 1.097 8 S CA -2.175 55.653 58.200 -0.620 0.000 1.045 8 S CB 2.181 65.163 63.200 -0.363 0.000 1.019 8 S HN 0.914 8.741 8.310 -0.617 0.113 0.481 9 F N 5.009 124.738 119.950 -0.368 0.000 2.480 9 F HA 0.507 5.132 4.527 -0.036 -0.120 0.329 9 F C -0.805 174.758 175.800 -0.395 0.000 1.091 9 F CA -2.260 55.608 58.000 -0.221 0.000 0.972 9 F CB 2.096 41.059 39.000 -0.063 0.000 1.150 9 F HN 0.498 8.889 8.300 0.150 0.000 0.467 10 Y N -0.730 119.722 120.300 0.254 0.000 2.409 10 Y HA 0.509 5.361 4.550 0.206 -0.178 0.343 10 Y C 0.772 176.763 175.900 0.152 0.000 0.973 10 Y CA -2.028 56.189 58.100 0.195 0.000 1.064 10 Y CB 1.898 40.461 38.460 0.173 0.000 1.207 10 Y HN 0.414 9.042 8.280 0.579 0.000 0.452 11 E N 0.726 121.079 120.200 0.256 0.000 2.204 11 E HA -0.216 4.393 4.350 0.151 -0.169 0.194 11 E C -0.199 176.487 176.600 0.142 0.000 0.989 11 E CA 2.448 58.947 56.400 0.166 0.000 0.824 11 E CB 0.910 30.683 29.700 0.121 0.000 0.756 11 E HN 0.089 8.594 8.360 0.242 0.000 0.477 12 D N -2.236 118.256 120.400 0.153 0.000 2.449 12 D HA 0.209 4.895 4.640 0.077 0.000 0.250 12 D C -0.423 175.904 176.300 0.045 0.000 1.050 12 D CA -1.436 52.617 54.000 0.089 0.000 1.024 12 D CB 1.597 42.438 40.800 0.068 0.000 1.218 12 D HN -0.481 7.988 8.370 0.204 0.023 0.566 13 R N -2.331 118.166 120.500 -0.005 0.000 2.637 13 R HA -0.192 4.070 4.340 -0.129 0.000 0.269 13 R C 1.067 177.207 176.300 -0.267 0.000 1.089 13 R CA 1.221 57.252 56.100 -0.114 0.000 1.177 13 R CB 0.682 30.950 30.300 -0.053 0.000 1.091 13 R HN 0.100 8.381 8.270 0.018 0.000 0.540 14 N N -1.012 117.353 118.700 -0.559 0.000 2.747 14 N HA -0.324 3.774 4.740 -1.071 0.000 0.249 14 N C -1.422 173.710 175.510 -0.629 0.000 1.107 14 N CA 0.964 53.594 53.050 -0.700 0.000 0.707 14 N CB -0.579 37.771 38.487 -0.227 0.000 1.054 14 N HN 0.327 8.343 8.380 -0.607 0.000 0.555 15 F N -8.395 111.354 119.950 -0.335 0.000 3.074 15 F HA -0.388 3.405 4.527 -1.223 0.000 0.287 15 F C -0.984 174.733 175.800 -0.137 0.000 0.932 15 F CA 0.937 58.539 58.000 -0.663 0.000 0.995 15 F CB -3.555 34.965 39.000 -0.799 0.000 0.966 15 F HN -0.182 7.358 8.300 -1.228 0.024 0.721 16 Q N -1.056 118.778 119.800 0.057 0.000 2.240 16 Q HA 0.211 4.636 4.340 0.142 0.000 0.260 16 Q C 0.043 176.142 176.000 0.164 0.000 1.018 16 Q CA -0.781 55.092 55.803 0.116 0.000 0.898 16 Q CB 3.067 31.836 28.738 0.052 0.000 1.301 16 Q HN -0.671 7.563 8.270 -0.043 0.011 0.469 17 G N -0.935 107.948 108.800 0.139 0.000 2.660 17 G HA2 -0.348 3.658 3.960 0.098 0.000 0.215 17 G HA3 -0.348 3.917 3.960 0.133 -0.225 0.215 17 G C -1.706 173.286 174.900 0.154 0.000 1.345 17 G CA -0.403 44.775 45.100 0.131 0.000 0.877 17 G HN 0.003 8.363 8.290 0.116 0.000 0.549 18 R N 0.233 120.812 120.500 0.131 0.000 2.590 18 R HA -0.093 4.309 4.340 0.103 0.000 0.274 18 R C -1.086 175.299 176.300 0.142 0.000 1.061 18 R CA 0.385 56.558 56.100 0.121 0.000 1.081 18 R CB 0.972 31.336 30.300 0.106 0.000 0.984 18 R HN 0.299 8.770 8.270 0.116 -0.132 0.448 19 R N 3.654 124.210 120.500 0.093 0.000 2.740 19 R HA 0.778 5.256 4.340 -0.077 -0.184 0.282 19 R C -1.316 174.990 176.300 0.010 0.000 0.969 19 R CA -1.543 54.546 56.100 -0.018 0.000 0.918 19 R CB 3.003 33.271 30.300 -0.052 0.000 1.175 19 R HN 0.049 8.363 8.270 0.072 0.000 0.464 20 Y N 3.875 124.135 120.300 -0.067 0.000 2.421 20 Y HA 0.208 4.757 4.550 -0.000 0.000 0.339 20 Y C -2.597 173.367 175.900 0.106 0.000 0.996 20 Y CA -0.831 57.303 58.100 0.057 0.000 1.046 20 Y CB 4.390 42.944 38.460 0.156 0.000 1.226 20 Y HN 0.576 8.837 8.280 -0.031 0.000 0.445 21 D N 4.358 124.775 120.400 0.027 0.000 2.256 21 D HA 0.529 5.347 4.640 0.022 -0.164 0.246 21 D C -1.634 174.799 176.300 0.220 0.000 1.042 21 D CA -1.331 52.703 54.000 0.057 0.000 0.841 21 D CB 1.836 42.579 40.800 -0.095 0.000 1.223 21 D HN -0.046 8.072 8.370 -0.419 0.000 0.470 22 C N 2.014 121.388 119.300 0.122 0.000 2.498 22 C HA 0.247 4.818 4.460 0.185 0.000 0.316 22 C C -1.369 173.576 174.990 -0.074 0.000 1.209 22 C CA -1.207 57.848 59.018 0.062 0.000 1.518 22 C CB 3.579 31.262 27.740 -0.095 0.000 2.147 22 C HN 0.574 8.796 8.230 -0.014 0.000 0.483 23 D N 6.664 127.107 120.400 0.072 0.000 2.479 23 D HA 0.296 5.188 4.640 0.184 -0.142 0.218 23 D C -0.913 175.615 176.300 0.380 0.000 1.177 23 D CA -1.027 53.085 54.000 0.187 0.000 0.830 23 D CB 0.433 41.315 40.800 0.136 0.000 1.014 23 D HN 0.357 8.795 8.370 0.113 0.000 0.503 24 C N -2.108 117.435 119.300 0.406 0.000 3.320 24 C HA 0.238 4.954 4.460 0.426 0.000 0.335 24 C C -1.892 173.354 174.990 0.426 0.000 1.430 24 C CA -1.495 57.765 59.018 0.403 0.000 1.271 24 C CB 2.885 30.758 27.740 0.221 0.000 1.609 24 C HN -0.803 7.526 8.230 0.257 0.054 0.457 25 D N 0.676 121.248 120.400 0.286 0.000 2.423 25 D HA -0.069 4.903 4.640 0.355 -0.120 0.238 25 D C -1.100 175.334 176.300 0.222 0.000 1.142 25 D CA 0.285 54.438 54.000 0.254 0.000 0.884 25 D CB -0.162 40.708 40.800 0.116 0.000 1.199 25 D HN -0.037 8.442 8.370 0.181 0.000 0.438 26 C N 2.554 121.980 119.300 0.209 0.000 2.381 26 C HA 0.181 4.751 4.460 0.184 0.000 0.328 26 C C -0.302 174.785 174.990 0.163 0.000 1.190 26 C CA -0.820 58.283 59.018 0.141 0.000 1.369 26 C CB 2.973 30.637 27.740 -0.126 0.000 2.029 26 C HN 0.648 8.919 8.230 0.254 0.112 0.448 27 A N 4.419 127.289 122.820 0.083 0.000 2.067 27 A HA -0.213 3.605 4.320 -0.837 0.000 0.217 27 A C -1.894 175.541 177.584 -0.248 0.000 1.156 27 A CA 1.926 53.772 52.037 -0.319 0.000 0.683 27 A CB 0.419 19.254 19.000 -0.275 0.000 0.808 27 A HN 0.550 8.780 8.150 0.133 0.000 0.455 28 D N -4.543 115.834 120.400 -0.037 0.000 2.365 28 D HA 0.302 5.094 4.640 -0.052 -0.183 0.235 28 D C -1.558 174.822 176.300 0.132 0.000 1.368 28 D CA -0.516 53.477 54.000 -0.012 0.000 1.001 28 D CB 1.590 42.355 40.800 -0.058 0.000 1.364 28 D HN -0.859 7.520 8.370 0.061 0.028 0.577 29 F N 5.555 125.428 119.950 -0.128 0.000 2.653 29 F HA 0.239 4.750 4.527 -0.027 0.000 0.304 29 F C 0.376 176.074 175.800 -0.169 0.000 1.092 29 F CA -1.843 56.072 58.000 -0.141 0.000 1.279 29 F CB 1.374 40.204 39.000 -0.283 0.000 1.044 29 F HN 0.181 8.564 8.300 0.138 0.000 0.564 30 R N -1.285 119.172 120.500 -0.072 0.000 2.159 30 R HA -0.250 4.201 4.340 -0.094 -0.168 0.237 30 R C 0.972 177.133 176.300 -0.232 0.000 1.131 30 R CA 2.999 59.024 56.100 -0.125 0.000 0.982 30 R CB -0.452 29.792 30.300 -0.094 0.000 0.868 30 R HN 0.164 8.344 8.270 -0.032 0.070 0.453 31 S N -2.442 113.038 115.700 -0.366 0.000 2.489 31 S HA -0.130 4.125 4.470 -0.358 0.000 0.228 31 S C 0.359 174.539 174.600 -0.700 0.000 0.995 31 S CA 2.336 60.220 58.200 -0.527 0.000 0.934 31 S CB 0.021 62.821 63.200 -0.667 0.000 0.771 31 S HN -0.026 8.051 8.310 -0.344 0.027 0.522 32 Y N -0.418 119.576 120.300 -0.511 0.000 2.498 32 Y HA 0.124 4.437 4.550 -0.394 0.000 0.259 32 Y C -1.638 173.994 175.900 -0.446 0.000 1.086 32 Y CA 0.771 58.478 58.100 -0.654 0.000 1.287 32 Y CB 1.960 39.461 38.460 -1.598 0.000 1.146 32 Y HN -0.620 7.137 8.280 -0.594 0.166 0.523 33 L N -2.815 118.269 121.223 -0.232 0.000 2.505 33 L HA 0.343 4.665 4.340 -0.030 0.000 0.266 33 L C -1.664 175.166 176.870 -0.066 0.000 0.954 33 L CA -0.102 54.685 54.840 -0.089 0.000 0.852 33 L CB 3.147 45.173 42.059 -0.055 0.000 1.282 33 L HN -0.411 7.647 8.230 -0.286 0.000 0.403 34 S N 4.685 120.365 115.700 -0.033 0.000 2.528 34 S HA 0.036 4.479 4.470 -0.045 0.000 0.219 34 S C -0.505 174.091 174.600 -0.006 0.000 0.985 34 S CA 1.084 59.267 58.200 -0.028 0.000 0.914 34 S CB 0.187 63.374 63.200 -0.022 0.000 0.776 34 S HN 0.265 8.723 8.310 -0.014 -0.155 0.526 35 R N -5.505 115.003 120.500 0.013 0.000 2.765 35 R HA 0.293 4.647 4.340 0.024 0.000 0.277 35 R C -2.541 173.798 176.300 0.064 0.000 1.028 35 R CA -1.120 54.997 56.100 0.028 0.000 0.860 35 R CB 1.999 32.309 30.300 0.018 0.000 1.270 35 R HN -0.818 7.417 8.270 0.019 0.046 0.484 36 C N 1.231 120.582 119.300 0.084 0.000 2.505 36 C HA 0.409 5.130 4.460 0.176 -0.155 0.342 36 C C -2.052 173.036 174.990 0.163 0.000 1.121 36 C CA -1.504 57.603 59.018 0.148 0.000 1.306 36 C CB 1.989 29.828 27.740 0.166 0.000 1.897 36 C HN 0.394 8.665 8.230 0.069 0.000 0.446 37 N N 6.391 125.201 118.700 0.184 0.000 2.205 37 N HA 0.142 5.018 4.740 0.227 0.000 0.201 37 N C -1.509 174.173 175.510 0.287 0.000 1.128 37 N CA 0.588 53.774 53.050 0.227 0.000 0.867 37 N CB 2.240 40.825 38.487 0.164 0.000 0.996 37 N HN 0.134 8.627 8.380 0.189 0.000 0.503 38 S N -1.920 113.924 115.700 0.241 0.000 2.547 38 S HA 0.271 4.851 4.470 0.183 0.000 0.270 38 S C -2.464 172.330 174.600 0.325 0.000 1.150 38 S CA -0.385 57.923 58.200 0.180 0.000 0.850 38 S CB 1.709 64.845 63.200 -0.106 0.000 1.118 38 S HN -0.882 7.535 8.310 0.269 0.054 0.461 39 I N 1.659 122.402 120.570 0.289 0.000 2.827 39 I HA 0.575 5.080 4.170 0.308 -0.151 0.298 39 I C -2.692 173.628 176.117 0.339 0.000 1.235 39 I CA -0.756 60.675 61.300 0.218 0.000 1.021 39 I CB 5.609 43.500 38.000 -0.181 0.000 1.259 39 I HN 0.505 8.877 8.210 0.271 0.000 0.427 40 R N 4.089 124.746 120.500 0.262 0.000 2.439 40 R HA 0.454 4.949 4.340 0.259 0.000 0.310 40 R C -2.100 174.172 176.300 -0.046 0.000 0.955 40 R CA -1.322 54.891 56.100 0.189 0.000 0.853 40 R CB 3.414 33.839 30.300 0.210 0.000 1.171 40 R HN 1.006 9.216 8.270 0.086 0.111 0.449 41 V N 7.252 127.177 119.914 0.019 0.000 2.328 41 V HA 0.227 4.214 4.120 -0.221 0.000 0.278 41 V C -0.701 175.390 176.094 -0.006 0.000 1.021 41 V CA 0.128 62.393 62.300 -0.057 0.000 0.838 41 V CB 0.569 32.422 31.823 0.051 0.000 0.999 41 V HN 1.053 9.331 8.190 0.147 0.000 0.447 42 E N 8.807 128.982 120.200 -0.041 0.000 2.170 42 E HA 0.045 4.388 4.350 -0.011 0.000 0.191 42 E C -0.301 176.325 176.600 0.043 0.000 0.981 42 E CA 0.776 57.172 56.400 -0.007 0.000 0.830 42 E CB 1.711 31.394 29.700 -0.027 0.000 0.775 42 E HN 0.456 8.751 8.360 -0.108 0.000 0.470 43 G N -4.949 103.909 108.800 0.097 0.000 2.703 43 G HA2 0.302 4.381 3.960 0.109 0.000 0.294 43 G HA3 0.302 4.333 3.960 0.118 0.000 0.294 43 G C -2.121 172.936 174.900 0.262 0.000 1.451 43 G CA -0.255 44.929 45.100 0.140 0.000 0.869 43 G HN -0.735 7.612 8.290 0.095 0.000 0.516 44 G N 1.443 110.355 108.800 0.188 0.000 2.795 44 G HA2 -0.425 3.557 3.960 0.037 0.000 0.664 44 G HA3 -0.425 3.632 3.960 0.163 0.000 0.664 44 G C -2.134 172.863 174.900 0.162 0.000 1.381 44 G CA -0.199 44.983 45.100 0.137 0.000 0.853 44 G HN -0.217 8.148 8.290 0.125 0.000 0.545 45 T N 1.190 115.703 114.554 -0.068 0.000 2.807 45 T HA 0.576 5.194 4.350 0.197 -0.149 0.279 45 T C -0.999 173.579 174.700 -0.204 0.000 0.993 45 T CA 0.412 62.518 62.100 0.010 0.000 0.970 45 T CB 2.336 71.186 68.868 -0.031 0.000 0.950 45 T HN -0.024 8.070 8.240 -0.243 0.000 0.441 46 W N 5.664 126.936 121.300 -0.046 0.000 2.864 46 W HA 0.532 5.277 4.660 -0.064 -0.124 0.343 46 W C -2.242 174.265 176.519 -0.020 0.000 1.109 46 W CA -1.604 55.713 57.345 -0.047 0.000 1.192 46 W CB 4.010 33.442 29.460 -0.048 0.000 1.426 46 W HN 0.626 9.040 8.180 0.390 0.000 0.529 47 A N 0.203 123.159 122.820 0.227 0.000 2.304 47 A HA 1.046 5.645 4.320 0.122 -0.206 0.323 47 A C -1.733 176.021 177.584 0.283 0.000 1.195 47 A CA -2.179 49.965 52.037 0.179 0.000 0.826 47 A CB 2.870 21.965 19.000 0.158 0.000 1.184 47 A HN 1.219 9.398 8.150 0.228 0.108 0.496 48 V N -0.975 119.053 119.914 0.189 0.000 2.628 48 V HA 0.873 5.342 4.120 0.370 -0.126 0.306 48 V C -1.817 174.399 176.094 0.203 0.000 1.045 48 V CA -3.372 59.083 62.300 0.259 0.000 0.905 48 V CB 2.290 34.165 31.823 0.085 0.000 0.997 48 V HN 0.417 8.684 8.190 0.128 0.000 0.436 49 Y N 2.774 123.216 120.300 0.237 0.000 2.446 49 Y HA 0.637 5.568 4.550 0.264 -0.223 0.345 49 Y C 0.522 176.559 175.900 0.228 0.000 0.984 49 Y CA -1.769 56.474 58.100 0.239 0.000 1.058 49 Y CB 3.575 42.162 38.460 0.212 0.000 1.220 49 Y HN 0.585 9.200 8.280 0.558 0.000 0.455 50 E N 3.201 123.629 120.200 0.380 0.000 2.150 50 E HA -0.161 4.602 4.350 0.300 -0.233 0.193 50 E C 0.314 177.045 176.600 0.217 0.000 0.985 50 E CA 2.257 58.842 56.400 0.308 0.000 0.814 50 E CB 0.965 30.877 29.700 0.354 0.000 0.752 50 E HN 0.078 8.660 8.360 0.371 0.000 0.466 51 R N -3.376 117.249 120.500 0.208 0.000 2.854 51 R HA 0.513 4.902 4.340 0.083 0.000 0.271 51 R C -2.760 173.567 176.300 0.046 0.000 0.996 51 R CA -3.232 52.932 56.100 0.107 0.000 0.961 51 R CB 1.718 32.073 30.300 0.090 0.000 1.182 51 R HN -0.469 7.963 8.270 0.269 0.000 0.479 52 P HA -0.327 4.211 4.420 -0.170 -0.220 0.271 52 P C -0.654 176.491 177.300 -0.257 0.000 1.233 52 P CA 0.415 63.427 63.100 -0.147 0.000 0.795 52 P CB 0.436 32.064 31.700 -0.120 0.000 0.936 53 N N -4.753 113.635 118.700 -0.520 0.000 2.754 53 N HA -0.434 3.746 4.740 -0.932 0.000 0.248 53 N C -0.345 174.797 175.510 -0.613 0.000 1.093 53 N CA 0.807 53.468 53.050 -0.648 0.000 0.699 53 N CB -1.054 37.271 38.487 -0.270 0.000 1.016 53 N HN -0.009 8.031 8.380 -0.567 0.000 0.552 54 F N -8.475 111.293 119.950 -0.303 0.000 2.943 54 F HA -0.401 3.386 4.527 -1.234 0.000 0.258 54 F C -0.724 174.822 175.800 -0.424 0.000 0.995 54 F CA 0.767 58.255 58.000 -0.854 0.000 0.896 54 F CB -3.018 35.401 39.000 -0.969 0.000 0.821 54 F HN -0.312 7.290 8.300 -1.141 0.013 0.828 55 S N -0.467 115.276 115.700 0.072 0.000 2.634 55 S HA 0.241 4.834 4.470 0.205 0.000 0.296 55 S C -0.612 174.147 174.600 0.266 0.000 1.104 55 S CA -1.180 57.128 58.200 0.179 0.000 0.920 55 S CB 2.980 66.218 63.200 0.062 0.000 1.111 55 S HN -0.730 7.599 8.310 0.033 0.000 0.493 56 G N 1.027 109.924 108.800 0.161 0.000 2.615 56 G HA2 -0.341 3.609 3.960 -0.018 0.000 0.218 56 G HA3 -0.341 3.736 3.960 0.195 0.000 0.218 56 G C -1.284 173.629 174.900 0.021 0.000 1.339 56 G CA 0.162 45.320 45.100 0.096 0.000 0.884 56 G HN -0.009 8.348 8.290 0.111 0.000 0.559 57 H N 0.252 119.358 119.070 0.060 0.000 2.928 57 H HA -0.072 4.390 4.556 -0.158 0.000 0.338 57 H C -0.756 174.440 175.328 -0.221 0.000 1.047 57 H CA 0.504 56.508 56.048 -0.074 0.000 1.435 57 H CB 0.504 30.310 29.762 0.074 0.000 1.428 57 H HN 0.085 8.623 8.280 0.430 0.000 0.590 58 M N 0.669 119.979 119.600 -0.483 0.000 2.383 58 M HA 0.884 5.085 4.480 -0.827 -0.218 0.325 58 M C -1.697 174.153 176.300 -0.751 0.000 1.092 58 M CA -1.266 53.562 55.300 -0.787 0.000 0.961 58 M CB 2.702 34.685 32.600 -1.029 0.000 1.672 58 M HN -0.010 7.962 8.290 -0.530 0.000 0.438 59 Y N 1.525 121.744 120.300 -0.135 0.000 2.442 59 Y HA 0.238 4.788 4.550 -0.000 0.000 0.344 59 Y C -1.286 174.664 175.900 0.084 0.000 0.976 59 Y CA -1.030 57.121 58.100 0.085 0.000 1.040 59 Y CB 3.991 42.736 38.460 0.475 0.000 1.228 59 Y HN 0.369 8.602 8.280 -0.078 0.000 0.451 60 I N 2.227 122.923 120.570 0.211 0.000 2.365 60 I HA 0.258 4.621 4.170 0.105 -0.130 0.291 60 I C -0.873 175.356 176.117 0.187 0.000 1.004 60 I CA -2.096 59.287 61.300 0.138 0.000 1.311 60 I CB 0.048 38.089 38.000 0.069 0.000 1.401 60 I HN 0.292 8.625 8.210 0.206 0.000 0.491 61 L N 7.197 128.502 121.223 0.136 0.000 2.342 61 L HA 0.577 4.970 4.340 0.088 0.000 0.276 61 L C -2.722 174.235 176.870 0.145 0.000 0.997 61 L CA -3.282 51.604 54.840 0.076 0.000 0.838 61 L CB 3.461 45.449 42.059 -0.118 0.000 1.224 61 L HN 0.958 9.160 8.230 0.137 0.110 0.416 62 P HA 0.121 4.629 4.420 0.146 0.000 0.276 62 P C -0.841 176.591 177.300 0.219 0.000 1.261 62 P CA -1.358 61.849 63.100 0.178 0.000 0.800 62 P CB 0.767 32.560 31.700 0.155 0.000 1.066 63 Q N -1.005 118.898 119.800 0.172 0.000 2.333 63 Q HA -0.421 4.020 4.340 0.169 0.000 0.299 63 Q C -0.271 175.819 176.000 0.150 0.000 1.067 63 Q CA 0.887 56.783 55.803 0.154 0.000 0.943 63 Q CB 0.106 28.906 28.738 0.104 0.000 1.233 63 Q HN 0.183 8.536 8.270 0.138 0.000 0.401 64 G N 1.096 109.979 108.800 0.138 0.000 2.341 64 G HA2 -0.158 3.791 3.960 -0.019 0.000 0.293 64 G HA3 -0.158 3.792 3.960 -0.016 0.000 0.293 64 G C -3.303 171.606 174.900 0.015 0.000 1.298 64 G CA -0.290 44.829 45.100 0.031 0.000 0.868 64 G HN 0.138 8.400 8.290 0.132 0.108 0.540 65 E N 0.211 120.302 120.200 -0.182 0.000 2.187 65 E HA 0.291 4.711 4.350 0.116 0.000 0.268 65 E C -2.076 174.378 176.600 -0.243 0.000 0.896 65 E CA -1.065 55.296 56.400 -0.066 0.000 0.766 65 E CB 2.749 32.401 29.700 -0.080 0.000 1.142 65 E HN 0.106 8.299 8.360 -0.277 0.000 0.408 66 Y N 4.667 125.075 120.300 0.181 0.000 2.555 66 Y HA 0.392 5.004 4.550 0.104 0.000 0.326 66 Y C -1.694 174.259 175.900 0.089 0.000 0.984 66 Y CA -3.060 55.121 58.100 0.134 0.000 1.298 66 Y CB 0.678 39.209 38.460 0.118 0.000 1.094 66 Y HN 0.443 9.032 8.280 0.515 0.000 0.500 67 P HA -0.003 3.594 4.420 -1.372 0.000 0.242 67 P C -1.451 175.638 177.300 -0.352 0.000 1.197 67 P CA 0.392 63.194 63.100 -0.497 0.000 0.765 67 P CB 0.461 31.976 31.700 -0.308 0.000 0.936 68 E N -6.325 113.820 120.200 -0.093 0.000 2.407 68 E HA 0.591 5.086 4.350 -0.004 -0.147 0.279 68 E C 0.956 177.584 176.600 0.047 0.000 1.012 68 E CA -1.552 54.813 56.400 -0.059 0.000 0.800 68 E CB 4.521 34.106 29.700 -0.191 0.000 1.276 68 E HN -0.882 7.430 8.360 0.030 0.066 0.452 69 Y N 1.909 122.291 120.300 0.137 0.000 2.207 69 Y HA -0.388 4.437 4.550 0.459 0.000 0.287 69 Y C 1.236 177.224 175.900 0.147 0.000 1.156 69 Y CA 3.395 61.656 58.100 0.269 0.000 1.182 69 Y CB -0.551 38.049 38.460 0.234 0.000 0.979 69 Y HN 0.559 9.108 8.280 0.448 0.000 0.521 70 Q N -1.207 118.090 119.800 -0.840 0.000 2.297 70 Q HA -0.336 3.781 4.340 -0.372 0.000 0.208 70 Q C 2.331 178.222 176.000 -0.182 0.000 0.981 70 Q CA 2.387 57.888 55.803 -0.503 0.000 0.876 70 Q CB -0.806 27.577 28.738 -0.592 0.000 0.921 70 Q HN 0.351 7.570 8.270 -1.752 0.000 0.446 71 R N -0.178 120.294 120.500 -0.047 0.000 2.235 71 R HA -0.234 4.142 4.340 0.061 0.000 0.213 71 R C 0.296 176.817 176.300 0.368 0.000 1.059 71 R CA 1.845 58.034 56.100 0.149 0.000 0.997 71 R CB -0.039 30.382 30.300 0.203 0.000 0.884 71 R HN -0.363 7.689 8.270 -0.095 0.161 0.462 72 W N -2.671 118.662 121.300 0.055 0.000 3.123 72 W HA 0.102 4.729 4.660 -0.056 0.000 0.383 72 W C -1.097 175.314 176.519 -0.181 0.000 1.102 72 W CA -1.341 55.938 57.345 -0.111 0.000 1.865 72 W CB 1.385 30.663 29.460 -0.303 0.000 1.111 72 W HN -0.393 7.755 8.180 0.259 0.188 0.621 73 M N -4.561 114.795 119.600 -0.407 0.000 2.818 73 M HA -0.530 3.739 4.480 -0.351 0.000 0.194 73 M C -0.523 175.121 176.300 -1.093 0.000 0.586 73 M CA 1.020 55.978 55.300 -0.570 0.000 0.664 73 M CB -2.991 29.366 32.600 -0.404 0.000 2.418 73 M HN -0.463 7.509 8.290 -0.169 0.216 0.517 74 G N -2.911 105.060 108.800 -1.381 0.000 2.432 74 G HA2 -0.168 2.128 3.960 -2.774 0.000 0.239 74 G HA3 -0.168 2.884 3.960 -1.514 0.000 0.239 74 G C 0.359 174.854 174.900 -0.676 0.000 1.291 74 G CA -0.428 43.626 45.100 -1.743 0.000 0.863 74 G HN -0.583 7.107 8.290 -0.927 0.044 0.560 75 L N 0.790 121.674 121.223 -0.564 0.000 2.179 75 L HA -0.054 4.156 4.340 -0.217 0.000 0.208 75 L C -0.234 176.527 176.870 -0.181 0.000 1.096 75 L CA 1.363 56.035 54.840 -0.279 0.000 0.779 75 L CB 0.015 41.889 42.059 -0.308 0.000 0.922 75 L HN 0.368 8.184 8.230 -0.689 0.000 0.443 76 N N -4.388 114.205 118.700 -0.179 0.000 3.364 76 N HA 0.184 4.746 4.740 -0.296 0.000 0.294 76 N C -1.807 173.632 175.510 -0.120 0.000 1.562 76 N CA -0.690 52.246 53.050 -0.190 0.000 0.862 76 N CB 3.122 41.532 38.487 -0.129 0.000 1.691 76 N HN -0.450 7.797 8.380 -0.193 0.017 0.572 77 D N -1.701 118.610 120.400 -0.150 0.000 2.460 77 D HA 0.082 4.860 4.640 0.124 -0.064 0.229 77 D C -0.580 175.757 176.300 0.062 0.000 1.170 77 D CA -0.389 53.602 54.000 -0.015 0.000 0.827 77 D CB -0.040 40.697 40.800 -0.104 0.000 0.973 77 D HN 0.139 8.389 8.370 -0.200 0.000 0.496 78 R N -0.962 119.588 120.500 0.085 0.000 2.229 78 R HA 0.137 4.512 4.340 0.058 0.000 0.328 78 R C -1.602 174.787 176.300 0.149 0.000 1.009 78 R CA -0.310 55.843 56.100 0.089 0.000 0.864 78 R CB 0.945 31.286 30.300 0.068 0.000 1.085 78 R HN -0.280 7.950 8.270 0.074 0.084 0.453 79 L N 4.639 125.923 121.223 0.101 0.000 2.482 79 L HA 0.443 5.068 4.340 0.172 -0.182 0.269 79 L C -0.797 176.102 176.870 0.048 0.000 0.967 79 L CA -0.711 54.188 54.840 0.099 0.000 0.851 79 L CB 3.454 45.530 42.059 0.028 0.000 1.242 79 L HN 0.515 8.782 8.230 0.063 0.000 0.404 80 G N 0.172 109.017 108.800 0.074 0.000 2.850 80 G HA2 0.329 4.297 3.960 0.013 0.000 0.211 80 G HA3 0.329 4.380 3.960 0.020 -0.079 0.211 80 G C -1.608 173.293 174.900 0.002 0.000 1.124 80 G CA -0.074 45.042 45.100 0.027 0.000 0.769 80 G HN 0.446 8.734 8.290 0.133 0.082 0.535 81 S N -1.394 114.335 115.700 0.049 0.000 2.565 81 S HA 0.731 5.280 4.470 -0.017 -0.090 0.269 81 S C -2.390 172.352 174.600 0.237 0.000 1.153 81 S CA -0.816 57.411 58.200 0.045 0.000 0.835 81 S CB 2.851 65.937 63.200 -0.190 0.000 1.122 81 S HN -0.672 7.716 8.310 0.130 0.000 0.462 82 C N -1.891 117.569 119.300 0.267 0.000 2.985 82 C HA 1.010 5.899 4.460 0.445 -0.162 0.314 82 C C -1.637 173.571 174.990 0.363 0.000 1.215 82 C CA -2.023 57.193 59.018 0.330 0.000 1.414 82 C CB 4.342 32.180 27.740 0.163 0.000 1.842 82 C HN 0.827 9.195 8.230 0.230 0.000 0.477 83 R N 0.324 121.003 120.500 0.299 0.000 2.673 83 R HA 0.382 4.771 4.340 0.080 0.000 0.281 83 R C -1.771 174.487 176.300 -0.070 0.000 0.991 83 R CA -1.632 54.494 56.100 0.044 0.000 0.896 83 R CB 5.000 35.119 30.300 -0.302 0.000 1.201 83 R HN 0.679 9.161 8.270 0.355 0.000 0.457 84 A N 3.620 126.133 122.820 -0.511 0.000 2.409 84 A HA 0.104 3.492 4.320 -1.709 -0.093 0.262 84 A C -0.783 176.267 177.584 -0.891 0.000 1.113 84 A CA -0.377 50.878 52.037 -1.304 0.000 0.790 84 A CB 0.648 18.605 19.000 -1.738 0.000 1.046 84 A HN 0.333 8.252 8.150 -0.386 0.000 0.496 85 V N 4.504 123.978 119.914 -0.733 0.000 2.406 85 V HA -0.031 3.854 4.120 -0.392 0.000 0.272 85 V C -0.696 175.110 176.094 -0.480 0.000 1.043 85 V CA -0.714 61.310 62.300 -0.459 0.000 0.915 85 V CB 0.243 31.926 31.823 -0.233 0.000 0.988 85 V HN 0.657 8.253 8.190 -0.801 0.113 0.466 86 H N 6.782 125.752 119.070 -0.168 0.000 2.527 86 H HA 0.225 4.690 4.556 -0.152 0.000 0.321 86 H C -0.268 175.013 175.328 -0.078 0.000 1.087 86 H CA -0.722 55.249 56.048 -0.128 0.000 1.337 86 H CB 0.830 30.531 29.762 -0.101 0.000 1.440 86 H HN 0.175 8.303 8.280 -0.254 0.000 0.490 87 L N 4.593 125.849 121.223 0.056 0.000 2.325 87 L HA 0.225 4.574 4.340 0.016 0.000 0.279 87 L C -0.153 176.734 176.870 0.028 0.000 1.054 87 L CA -0.477 54.377 54.840 0.022 0.000 0.804 87 L CB 0.798 42.857 42.059 -0.000 0.000 1.200 87 L HN 0.253 8.519 8.230 0.060 0.000 0.436 88 S N 3.593 119.306 115.700 0.021 0.000 2.456 88 S HA 0.276 4.754 4.470 0.013 0.000 0.316 88 S C -0.951 173.654 174.600 0.009 0.000 1.089 88 S CA -0.128 58.083 58.200 0.018 0.000 1.101 88 S CB 0.889 64.106 63.200 0.029 0.000 0.995 88 S HN 0.482 8.802 8.310 0.017 0.000 0.468 89 S N 5.030 120.734 115.700 0.006 0.000 2.454 89 S HA 0.265 4.735 4.470 -0.001 0.000 0.306 89 S C -0.282 174.324 174.600 0.010 0.000 1.100 89 S CA -0.455 57.748 58.200 0.004 0.000 1.087 89 S CB 0.947 64.148 63.200 0.001 0.000 1.019 89 S HN 0.251 8.565 8.310 0.006 0.000 0.480 90 G N 3.777 112.586 108.800 0.015 0.000 3.083 90 G HA2 0.074 4.043 3.960 0.015 0.000 0.210 90 G HA3 0.074 4.049 3.960 0.024 0.000 0.210 90 G C -0.904 174.011 174.900 0.025 0.000 1.571 90 G CA 0.583 45.695 45.100 0.020 0.000 0.727 90 G HN 0.384 8.683 8.290 0.015 0.000 0.988 91 G N 0.517 109.337 108.800 0.033 0.000 3.431 91 G HA2 0.040 4.019 3.960 0.032 0.000 0.152 91 G HA3 0.040 4.026 3.960 0.042 0.000 0.152 91 G C -1.705 173.226 174.900 0.051 0.000 1.206 91 G CA 1.010 46.133 45.100 0.039 0.000 1.462 91 G HN 0.031 8.343 8.290 0.036 0.000 0.729 92 Q N 3.074 122.918 119.800 0.074 0.000 2.341 92 Q HA 0.243 4.636 4.340 0.088 0.000 0.268 92 Q C -1.514 174.583 176.000 0.162 0.000 1.013 92 Q CA -1.139 54.726 55.803 0.104 0.000 0.798 92 Q CB 1.434 30.236 28.738 0.105 0.000 1.253 92 Q HN 0.186 8.500 8.270 0.073 0.000 0.457 93 A N 6.283 129.218 122.820 0.192 0.000 2.477 93 A HA -0.103 4.588 4.320 0.333 -0.171 0.246 93 A C -1.210 176.742 177.584 0.613 0.000 1.078 93 A CA 0.281 52.543 52.037 0.375 0.000 0.770 93 A CB 0.749 19.825 19.000 0.127 0.000 1.011 93 A HN 0.407 8.629 8.150 0.120 0.000 0.494 94 K N 3.588 124.297 120.400 0.515 0.000 2.471 94 K HA 0.460 4.906 4.320 0.211 0.000 0.252 94 K C -2.049 174.465 176.600 -0.144 0.000 0.938 94 K CA -0.821 55.580 56.287 0.191 0.000 0.796 94 K CB 3.821 36.390 32.500 0.115 0.000 1.161 94 K HN -0.269 8.181 8.250 0.497 0.099 0.425 95 I N 4.663 124.944 120.570 -0.483 0.000 2.647 95 I HA 0.527 4.426 4.170 -0.453 0.000 0.295 95 I C -3.342 172.557 176.117 -0.363 0.000 1.078 95 I CA -2.498 58.416 61.300 -0.643 0.000 1.048 95 I CB 4.080 41.265 38.000 -1.358 0.000 1.239 95 I HN 0.435 8.403 8.210 -0.402 0.000 0.421 96 Q N 7.767 127.446 119.800 -0.202 0.000 2.353 96 Q HA 0.938 5.377 4.340 -0.101 -0.159 0.268 96 Q C -1.524 174.487 176.000 0.017 0.000 1.045 96 Q CA -2.308 53.458 55.803 -0.062 0.000 0.811 96 Q CB 3.796 32.569 28.738 0.059 0.000 1.305 96 Q HN 0.145 8.309 8.270 -0.176 0.000 0.447 97 V N -3.747 116.168 119.914 0.001 0.000 2.769 97 V HA 0.646 4.981 4.120 0.185 -0.104 0.312 97 V C -2.372 173.798 176.094 0.126 0.000 1.061 97 V CA -2.533 59.825 62.300 0.098 0.000 0.931 97 V CB 3.097 34.898 31.823 -0.036 0.000 1.010 97 V HN 0.669 8.817 8.190 -0.069 0.000 0.433 98 F N 3.071 123.057 119.950 0.060 0.000 2.520 98 F HA 0.678 5.421 4.527 0.081 -0.167 0.322 98 F C -0.147 175.705 175.800 0.088 0.000 1.103 98 F CA -1.530 56.515 58.000 0.075 0.000 0.926 98 F CB 4.141 43.184 39.000 0.072 0.000 1.154 98 F HN 1.082 9.519 8.300 0.402 0.104 0.453 99 E N 4.201 124.520 120.200 0.199 0.000 2.150 99 E HA -0.161 4.308 4.350 0.199 0.000 0.193 99 E C -0.015 176.656 176.600 0.118 0.000 0.985 99 E CA 1.493 57.994 56.400 0.169 0.000 0.814 99 E CB 0.804 30.575 29.700 0.118 0.000 0.752 99 E HN 0.127 8.552 8.360 0.108 0.000 0.466 100 K N -2.295 118.167 120.400 0.104 0.000 2.258 100 K HA 0.267 4.425 4.320 -0.270 0.000 0.236 100 K C -1.063 175.543 176.600 0.009 0.000 1.008 100 K CA -2.135 54.124 56.287 -0.046 0.000 0.869 100 K CB 3.389 35.863 32.500 -0.044 0.000 1.171 100 K HN -0.142 8.224 8.250 0.194 0.000 0.447 101 G N -1.699 107.069 108.800 -0.053 0.000 2.636 101 G HA2 -0.215 3.892 3.960 -0.116 0.000 0.246 101 G HA3 -0.215 3.702 3.960 -0.072 0.000 0.246 101 G C -0.400 174.362 174.900 -0.229 0.000 1.216 101 G CA -0.195 44.841 45.100 -0.106 0.000 0.854 101 G HN 0.123 8.342 8.290 -0.118 0.000 0.572 102 D N -0.750 119.388 120.400 -0.437 0.000 2.772 102 D HA -0.439 3.804 4.640 -0.662 0.000 0.233 102 D C -0.909 175.135 176.300 -0.427 0.000 1.143 102 D CA 1.606 55.322 54.000 -0.473 0.000 0.700 102 D CB -1.220 39.478 40.800 -0.169 0.000 1.076 102 D HN 0.236 8.203 8.370 -0.485 0.112 0.430 103 F N -8.906 110.814 119.950 -0.385 0.000 2.891 103 F HA -0.448 3.181 4.527 -1.497 0.000 0.272 103 F C -0.821 174.763 175.800 -0.360 0.000 1.004 103 F CA 0.850 58.267 58.000 -0.972 0.000 0.938 103 F CB -2.528 35.789 39.000 -1.138 0.000 0.939 103 F HN -0.041 7.516 8.300 -1.217 0.012 0.833 104 N N -0.295 118.509 118.700 0.175 0.000 2.380 104 N HA 0.135 5.049 4.740 0.289 0.000 0.290 104 N C -0.976 174.715 175.510 0.302 0.000 1.236 104 N CA -0.901 52.298 53.050 0.249 0.000 0.780 104 N CB 2.797 41.331 38.487 0.078 0.000 1.438 104 N HN -0.538 7.905 8.380 0.104 0.000 0.491 105 G N -0.050 108.856 108.800 0.176 0.000 2.587 105 G HA2 -0.315 3.676 3.960 0.051 0.000 0.212 105 G HA3 -0.315 3.699 3.960 0.089 0.000 0.212 105 G C -2.054 172.859 174.900 0.021 0.000 1.327 105 G CA -0.115 45.038 45.100 0.089 0.000 0.898 105 G HN 0.138 8.515 8.290 0.145 0.000 0.551 106 Q N 0.390 120.170 119.800 -0.034 0.000 2.327 106 Q HA 0.013 4.225 4.340 -0.214 0.000 0.254 106 Q C -0.703 175.052 176.000 -0.409 0.000 0.952 106 Q CA -0.246 55.448 55.803 -0.182 0.000 0.884 106 Q CB 0.775 29.473 28.738 -0.066 0.000 1.224 106 Q HN 0.027 8.309 8.270 0.019 0.000 0.422 107 M N 4.379 123.556 119.600 -0.704 0.000 2.456 107 M HA 0.676 4.684 4.480 -1.099 -0.188 0.324 107 M C -1.490 174.329 176.300 -0.803 0.000 1.124 107 M CA -1.017 53.677 55.300 -1.010 0.000 0.959 107 M CB 3.074 34.879 32.600 -1.325 0.000 1.692 107 M HN 0.003 7.929 8.290 -0.607 0.000 0.444 108 Y N 2.971 123.077 120.300 -0.323 0.000 2.442 108 Y HA 0.258 4.787 4.550 -0.035 0.000 0.344 108 Y C -2.044 173.783 175.900 -0.121 0.000 0.976 108 Y CA -0.713 57.312 58.100 -0.125 0.000 1.040 108 Y CB 3.456 41.848 38.460 -0.113 0.000 1.228 108 Y HN 0.553 8.659 8.280 -0.291 0.000 0.451 109 E N 4.659 124.933 120.200 0.122 0.000 2.187 109 E HA 0.631 5.102 4.350 -0.008 -0.125 0.268 109 E C -1.363 175.317 176.600 0.133 0.000 0.896 109 E CA -1.581 54.855 56.400 0.060 0.000 0.766 109 E CB 2.652 32.374 29.700 0.035 0.000 1.142 109 E HN 0.191 8.658 8.360 0.179 0.000 0.408 110 T N 5.779 120.373 114.554 0.066 0.000 2.923 110 T HA 0.445 4.918 4.350 0.205 0.000 0.311 110 T C -0.970 173.801 174.700 0.119 0.000 1.183 110 T CA -1.595 60.602 62.100 0.162 0.000 1.020 110 T CB 1.574 70.630 68.868 0.312 0.000 1.165 110 T HN 0.677 8.888 8.240 -0.049 0.000 0.482 111 T N 2.900 117.598 114.554 0.239 0.000 3.085 111 T HA 0.470 5.185 4.350 0.398 -0.126 0.264 111 T C -0.559 174.437 174.700 0.493 0.000 1.019 111 T CA -1.540 60.768 62.100 0.347 0.000 0.910 111 T CB 0.546 69.561 68.868 0.244 0.000 1.059 111 T HN 0.398 8.782 8.240 0.241 0.000 0.542 112 E N 1.219 121.720 120.200 0.501 0.000 2.320 112 E HA 0.158 4.743 4.350 0.391 0.000 0.264 112 E C -1.751 175.245 176.600 0.660 0.000 0.923 112 E CA -1.784 54.897 56.400 0.469 0.000 0.796 112 E CB 2.873 32.754 29.700 0.301 0.000 1.262 112 E HN -0.789 7.772 8.360 0.437 0.061 0.428 113 D N 0.008 120.701 120.400 0.488 0.000 2.382 113 D HA -0.198 5.045 4.640 0.879 -0.076 0.240 113 D C -1.214 175.305 176.300 0.366 0.000 1.146 113 D CA 0.331 54.644 54.000 0.522 0.000 0.897 113 D CB 0.863 41.801 40.800 0.229 0.000 1.197 113 D HN 0.330 8.890 8.370 0.316 0.000 0.432 114 C N 0.909 120.252 119.300 0.073 0.000 2.344 114 C HA 0.515 4.976 4.460 0.002 0.000 0.326 114 C C -1.672 173.213 174.990 -0.176 0.000 1.201 114 C CA -3.952 54.933 59.018 -0.222 0.000 1.410 114 C CB 2.601 29.851 27.740 -0.817 0.000 2.070 114 C HN 0.211 8.466 8.230 0.041 0.000 0.445 115 P HA 0.076 4.148 4.420 -0.580 0.000 0.221 115 P C -1.011 176.104 177.300 -0.309 0.000 1.155 115 P CA 1.419 64.325 63.100 -0.324 0.000 0.812 115 P CB 0.932 32.456 31.700 -0.294 0.000 0.801 116 S N -3.482 112.094 115.700 -0.207 0.000 2.775 116 S HA 0.328 4.841 4.470 -0.152 -0.134 0.277 116 S C 0.211 174.755 174.600 -0.094 0.000 1.156 116 S CA -2.266 55.841 58.200 -0.155 0.000 1.081 116 S CB 0.542 63.654 63.200 -0.146 0.000 1.054 116 S HN -0.773 7.432 8.310 -0.175 0.000 0.482 117 I N 9.601 130.145 120.570 -0.044 0.000 2.286 117 I HA -0.369 3.985 4.170 0.307 0.000 0.248 117 I C 1.561 177.735 176.117 0.096 0.000 1.115 117 I CA 3.928 65.301 61.300 0.121 0.000 1.392 117 I CB 0.258 38.312 38.000 0.089 0.000 1.065 117 I HN 0.600 8.766 8.210 -0.072 0.000 0.418 118 M N -0.155 119.443 119.600 -0.004 0.000 2.175 118 M HA -0.392 4.296 4.480 -0.005 -0.211 0.264 118 M C 1.737 177.937 176.300 -0.166 0.000 1.063 118 M CA 3.580 58.855 55.300 -0.041 0.000 1.119 118 M CB -0.216 32.371 32.600 -0.022 0.000 1.377 118 M HN -0.175 8.105 8.290 -0.016 0.000 0.415 119 E N -1.905 118.189 120.200 -0.176 0.000 2.106 119 E HA -0.274 3.940 4.350 -0.226 0.000 0.192 119 E C 2.011 178.342 176.600 -0.448 0.000 0.984 119 E CA 2.594 58.844 56.400 -0.251 0.000 0.806 119 E CB -0.318 29.280 29.700 -0.170 0.000 0.750 119 E HN -0.538 7.747 8.360 -0.125 0.000 0.458 120 Q N -2.011 117.531 119.800 -0.431 0.000 2.062 120 Q HA -0.151 3.831 4.340 -0.598 0.000 0.196 120 Q C 1.605 176.964 176.000 -1.069 0.000 0.967 120 Q CA 2.655 58.025 55.803 -0.721 0.000 0.832 120 Q CB 0.921 29.199 28.738 -0.766 0.000 0.899 120 Q HN -0.467 7.646 8.270 -0.262 0.000 0.442 121 F N -6.341 113.326 119.950 -0.471 0.000 2.682 121 F HA 0.146 4.444 4.527 -0.382 0.000 0.308 121 F C -1.455 174.204 175.800 -0.235 0.000 1.093 121 F CA 0.349 58.080 58.000 -0.449 0.000 1.244 121 F CB 0.742 39.409 39.000 -0.556 0.000 1.052 121 F HN -0.237 7.869 8.300 -0.146 0.106 0.573 122 H N -5.067 114.006 119.070 0.006 0.000 2.820 122 H HA -0.409 4.280 4.556 0.009 -0.128 0.295 122 H C -1.319 174.037 175.328 0.047 0.000 1.187 122 H CA 0.927 56.984 56.048 0.016 0.000 1.144 122 H CB -3.564 26.202 29.762 0.008 0.000 1.354 122 H HN -0.259 7.562 8.280 -0.622 0.086 0.395 123 L N -2.291 119.000 121.223 0.114 0.000 2.329 123 L HA 0.204 4.617 4.340 0.123 0.000 0.279 123 L C 0.376 177.291 176.870 0.076 0.000 1.014 123 L CA -1.202 53.701 54.840 0.105 0.000 0.814 123 L CB 1.418 43.528 42.059 0.086 0.000 1.257 123 L HN -0.890 7.369 8.230 0.081 0.019 0.424 124 R N 0.740 121.286 120.500 0.076 0.000 2.223 124 R HA -0.047 4.317 4.340 0.041 0.000 0.198 124 R C -0.128 176.201 176.300 0.048 0.000 0.984 124 R CA 1.274 57.407 56.100 0.055 0.000 1.018 124 R CB 0.890 31.224 30.300 0.056 0.000 0.945 124 R HN 0.508 8.832 8.270 0.090 0.000 0.479 125 E N -4.380 115.865 120.200 0.074 0.000 2.433 125 E HA 0.302 4.650 4.350 -0.003 0.000 0.278 125 E C -1.957 174.705 176.600 0.103 0.000 0.976 125 E CA -1.133 55.300 56.400 0.055 0.000 0.793 125 E CB 4.127 33.876 29.700 0.083 0.000 1.311 125 E HN -0.724 7.695 8.360 0.098 0.000 0.460 126 I N -0.872 119.726 120.570 0.046 0.000 2.499 126 I HA 0.136 4.430 4.170 0.207 0.000 0.288 126 I C -2.074 174.094 176.117 0.085 0.000 1.048 126 I CA -0.902 60.479 61.300 0.135 0.000 1.062 126 I CB 2.894 40.975 38.000 0.135 0.000 1.238 126 I HN 0.203 8.374 8.210 -0.066 0.000 0.426 127 H N 3.525 122.635 119.070 0.066 0.000 2.740 127 H HA 0.176 4.742 4.556 0.017 0.000 0.265 127 H C -0.702 174.576 175.328 -0.083 0.000 0.978 127 H CA -0.102 55.950 56.048 0.006 0.000 1.198 127 H CB 2.415 32.169 29.762 -0.013 0.000 1.467 127 H HN 0.129 8.627 8.280 0.362 0.000 0.511 128 S N -4.324 111.388 115.700 0.020 0.000 2.565 128 S HA 0.331 4.643 4.470 -0.368 -0.063 0.269 128 S C -2.380 172.165 174.600 -0.091 0.000 1.153 128 S CA -0.927 57.121 58.200 -0.254 0.000 0.835 128 S CB 3.127 65.965 63.200 -0.604 0.000 1.122 128 S HN -0.545 7.852 8.310 0.146 0.000 0.462 129 C N -2.700 116.510 119.300 -0.151 0.000 3.241 129 C HA 0.482 5.190 4.460 0.286 -0.077 0.348 129 C C -2.580 172.490 174.990 0.133 0.000 1.180 129 C CA -1.084 57.958 59.018 0.041 0.000 1.273 129 C CB 4.182 31.818 27.740 -0.174 0.000 1.620 129 C HN 0.881 8.952 8.230 -0.265 0.000 0.510 130 K N 3.528 124.008 120.400 0.133 0.000 2.483 130 K HA 0.476 4.927 4.320 0.012 -0.124 0.256 130 K C -1.442 175.138 176.600 -0.035 0.000 0.961 130 K CA -1.062 55.235 56.287 0.016 0.000 0.873 130 K CB 2.501 34.930 32.500 -0.118 0.000 1.107 130 K HN 0.348 8.593 8.250 0.160 0.101 0.432 131 V N 7.189 127.094 119.914 -0.014 0.000 2.370 131 V HA 0.261 4.443 4.120 -0.123 -0.136 0.283 131 V C -1.825 174.282 176.094 0.021 0.000 1.023 131 V CA -0.927 61.357 62.300 -0.028 0.000 0.857 131 V CB 1.694 33.553 31.823 0.060 0.000 0.985 131 V HN 0.531 8.733 8.190 0.020 0.000 0.443 132 V N 4.776 124.707 119.914 0.029 0.000 2.666 132 V HA 0.255 4.410 4.120 0.058 0.000 0.269 132 V C -2.170 173.979 176.094 0.091 0.000 0.926 132 V CA -0.329 61.998 62.300 0.046 0.000 1.035 132 V CB 0.763 32.581 31.823 -0.009 0.000 1.099 132 V HN 0.071 8.272 8.190 0.018 0.000 0.519 133 E N 2.134 122.435 120.200 0.170 0.000 3.575 133 E HA -0.016 4.413 4.350 0.131 0.000 0.390 133 E C -1.109 175.659 176.600 0.280 0.000 1.009 133 E CA 0.183 56.696 56.400 0.189 0.000 0.750 133 E CB 2.226 32.034 29.700 0.180 0.000 1.339 133 E HN 0.129 8.618 8.360 0.216 0.000 0.475 134 G N 4.558 113.464 108.800 0.178 0.000 2.750 134 G HA2 -0.357 3.642 3.960 0.065 0.000 0.228 134 G HA3 -0.357 3.649 3.960 0.076 0.000 0.228 134 G C -1.705 173.291 174.900 0.161 0.000 1.367 134 G CA -0.054 45.116 45.100 0.116 0.000 0.871 134 G HN 0.218 8.586 8.290 0.130 0.000 0.560 135 T N 0.567 115.136 114.554 0.025 0.000 2.888 135 T HA 0.342 4.931 4.350 0.243 -0.093 0.284 135 T C -1.069 173.603 174.700 -0.047 0.000 1.017 135 T CA 0.051 62.209 62.100 0.097 0.000 1.022 135 T CB 2.189 71.086 68.868 0.049 0.000 1.013 135 T HN 0.084 8.275 8.240 -0.081 0.000 0.465 136 W N 3.204 124.590 121.300 0.143 0.000 2.936 136 W HA 0.475 5.384 4.660 0.162 -0.152 0.338 136 W C -1.705 174.914 176.519 0.168 0.000 1.121 136 W CA -0.974 56.470 57.345 0.166 0.000 1.209 136 W CB 4.157 33.718 29.460 0.169 0.000 1.420 136 W HN 0.575 9.025 8.180 0.450 0.000 0.516 137 I N 0.083 120.878 120.570 0.376 0.000 2.530 137 I HA 0.943 5.362 4.170 0.084 -0.199 0.297 137 I C -1.376 174.850 176.117 0.182 0.000 1.011 137 I CA -1.788 59.587 61.300 0.125 0.000 1.107 137 I CB 3.226 41.183 38.000 -0.072 0.000 1.285 137 I HN 0.916 9.386 8.210 0.434 0.000 0.436 138 F N 5.331 125.189 119.950 -0.153 0.000 2.480 138 F HA 0.857 5.704 4.527 0.281 -0.152 0.329 138 F C -2.556 173.028 175.800 -0.359 0.000 1.091 138 F CA -3.642 54.301 58.000 -0.095 0.000 0.972 138 F CB 3.028 41.828 39.000 -0.333 0.000 1.150 138 F HN 0.181 8.310 8.300 -0.284 0.000 0.467 139 Y N 0.805 121.298 120.300 0.322 0.000 2.446 139 Y HA 0.631 5.304 4.550 -0.115 -0.192 0.345 139 Y C 0.251 176.315 175.900 0.274 0.000 0.984 139 Y CA -1.995 56.184 58.100 0.131 0.000 1.058 139 Y CB 2.947 41.495 38.460 0.146 0.000 1.220 139 Y HN 0.934 9.594 8.280 0.811 0.107 0.455 140 E N 2.855 123.242 120.200 0.311 0.000 2.208 140 E HA -0.073 4.457 4.350 0.300 0.000 0.193 140 E C -0.678 176.012 176.600 0.150 0.000 0.988 140 E CA 1.398 57.949 56.400 0.251 0.000 0.828 140 E CB 1.012 30.815 29.700 0.171 0.000 0.763 140 E HN 0.117 8.582 8.360 0.175 0.000 0.478 141 L N -0.790 120.513 121.223 0.134 0.000 2.333 141 L HA 0.512 4.874 4.340 0.036 0.000 0.269 141 L C -2.222 174.651 176.870 0.004 0.000 1.010 141 L CA -3.103 51.769 54.840 0.053 0.000 0.818 141 L CB 1.537 43.616 42.059 0.033 0.000 1.306 141 L HN -0.226 8.108 8.230 0.175 0.000 0.430 142 P HA -0.094 4.330 4.420 -0.184 -0.115 0.272 142 P C 0.091 177.210 177.300 -0.302 0.000 1.243 142 P CA 0.051 63.047 63.100 -0.175 0.000 0.803 142 P CB 0.485 32.093 31.700 -0.153 0.000 0.974 143 N N -4.717 113.643 118.700 -0.567 0.000 2.725 143 N HA -0.520 3.494 4.740 -1.210 0.000 0.249 143 N C -1.556 173.453 175.510 -0.835 0.000 1.103 143 N CA 0.836 53.391 53.050 -0.824 0.000 0.707 143 N CB -0.998 37.261 38.487 -0.380 0.000 1.043 143 N HN 0.105 8.144 8.380 -0.568 0.000 0.553 144 Y N -10.587 109.503 120.300 -0.351 0.000 3.234 144 Y HA -0.415 3.388 4.550 -1.246 0.000 0.207 144 Y C -0.920 174.800 175.900 -0.301 0.000 1.316 144 Y CA 0.723 58.349 58.100 -0.790 0.000 1.309 144 Y CB -3.475 34.412 38.460 -0.954 0.000 1.408 144 Y HN -0.030 7.711 8.280 -0.855 0.026 0.544 145 R N -1.429 119.070 120.500 -0.001 0.000 2.892 145 R HA 0.265 4.670 4.340 0.108 0.000 0.265 145 R C -0.394 175.991 176.300 0.141 0.000 1.025 145 R CA -1.443 54.704 56.100 0.078 0.000 0.982 145 R CB 3.480 33.783 30.300 0.005 0.000 1.185 145 R HN -0.287 7.958 8.270 -0.042 0.000 0.484 146 G N -0.516 108.352 108.800 0.112 0.000 2.627 146 G HA2 -0.361 3.639 3.960 0.066 0.000 0.214 146 G HA3 -0.361 3.653 3.960 0.090 0.000 0.214 146 G C -1.772 173.164 174.900 0.059 0.000 1.331 146 G CA -0.492 44.660 45.100 0.087 0.000 0.891 146 G HN 0.083 8.432 8.290 0.098 0.000 0.539 147 R N 1.949 122.447 120.500 -0.004 0.000 2.590 147 R HA -0.088 4.146 4.340 -0.177 0.000 0.274 147 R C -0.844 175.297 176.300 -0.266 0.000 1.061 147 R CA 0.478 56.497 56.100 -0.135 0.000 1.081 147 R CB 0.412 30.640 30.300 -0.120 0.000 0.984 147 R HN 0.141 8.424 8.270 0.022 0.000 0.448 148 Q N 3.092 122.639 119.800 -0.422 0.000 2.345 148 Q HA 0.878 4.868 4.340 -0.927 -0.206 0.268 148 Q C -1.037 174.511 176.000 -0.754 0.000 1.054 148 Q CA -1.620 53.761 55.803 -0.702 0.000 0.835 148 Q CB 3.334 31.742 28.738 -0.549 0.000 1.339 148 Q HN 0.169 8.198 8.270 -0.402 0.000 0.447 149 Y N 1.694 121.355 120.300 -1.065 0.000 2.462 149 Y HA 0.222 4.498 4.550 -0.455 0.000 0.346 149 Y C -2.083 173.592 175.900 -0.373 0.000 0.976 149 Y CA -1.050 56.633 58.100 -0.693 0.000 1.044 149 Y CB 4.302 42.236 38.460 -0.876 0.000 1.230 149 Y HN 0.425 8.008 8.280 -1.162 0.000 0.455 150 L N 5.388 126.658 121.223 0.079 0.000 2.264 150 L HA 0.214 4.609 4.340 0.091 0.000 0.289 150 L C -1.541 175.549 176.870 0.367 0.000 1.044 150 L CA -0.683 54.247 54.840 0.151 0.000 0.807 150 L CB 1.166 43.255 42.059 0.049 0.000 1.192 150 L HN 0.250 8.410 8.230 -0.117 0.000 0.425 151 L N 5.909 127.355 121.223 0.372 0.000 2.317 151 L HA 0.355 5.001 4.340 0.510 0.000 0.281 151 L C -1.282 175.825 176.870 0.394 0.000 1.024 151 L CA -1.183 53.937 54.840 0.466 0.000 0.810 151 L CB 1.569 43.964 42.059 0.560 0.000 1.240 151 L HN 0.986 9.307 8.230 0.321 0.102 0.427 152 D N 1.529 122.152 120.400 0.372 0.000 2.392 152 D HA 0.298 5.084 4.640 0.244 0.000 0.246 152 D C -1.148 175.294 176.300 0.236 0.000 1.013 152 D CA -2.392 51.764 54.000 0.259 0.000 0.993 152 D CB 4.144 45.054 40.800 0.184 0.000 1.219 152 D HN -0.394 8.241 8.370 0.441 0.000 0.538 153 K N -1.028 119.472 120.400 0.167 0.000 2.036 153 K HA -0.236 4.327 4.320 0.141 -0.158 0.246 153 K C -0.230 176.382 176.600 0.019 0.000 1.148 153 K CA 1.220 57.572 56.287 0.108 0.000 1.200 153 K CB -1.724 30.821 32.500 0.075 0.000 0.964 153 K HN 0.291 8.633 8.250 0.152 0.000 0.364 154 K N 2.816 123.199 120.400 -0.027 0.000 2.466 154 K HA 0.290 4.472 4.320 -0.229 0.000 0.260 154 K C -2.215 174.128 176.600 -0.429 0.000 1.011 154 K CA -1.758 54.353 56.287 -0.293 0.000 0.871 154 K CB 5.167 37.355 32.500 -0.519 0.000 1.404 154 K HN 0.110 8.405 8.250 0.076 0.000 0.450 155 E N -0.199 119.686 120.200 -0.525 0.000 2.102 155 E HA 0.291 4.520 4.350 -0.202 0.000 0.263 155 E C -1.166 175.180 176.600 -0.424 0.000 0.894 155 E CA -0.953 55.251 56.400 -0.326 0.000 0.746 155 E CB 0.395 29.973 29.700 -0.204 0.000 1.129 155 E HN 0.171 8.224 8.360 -0.511 0.000 0.416 156 Y N 5.451 125.670 120.300 -0.134 0.000 2.385 156 Y HA 0.204 4.757 4.550 -0.284 -0.174 0.341 156 Y C 0.233 175.845 175.900 -0.479 0.000 0.965 156 Y CA -0.452 57.428 58.100 -0.367 0.000 1.180 156 Y CB 0.601 38.568 38.460 -0.822 0.000 1.139 156 Y HN 0.538 8.788 8.280 -0.051 0.000 0.502 157 R N 2.461 122.742 120.500 -0.366 0.000 2.189 157 R HA 0.017 3.305 4.340 -1.754 0.000 0.203 157 R C -0.607 175.402 176.300 -0.486 0.000 1.012 157 R CA 1.371 56.997 56.100 -0.789 0.000 1.015 157 R CB 0.986 31.023 30.300 -0.438 0.000 0.938 157 R HN 0.034 8.327 8.270 -0.202 -0.144 0.472 158 K N -2.713 117.532 120.400 -0.258 0.000 2.385 158 K HA 0.639 4.875 4.320 -0.139 0.000 0.248 158 K C -1.253 175.287 176.600 -0.100 0.000 0.955 158 K CA -3.780 52.420 56.287 -0.144 0.000 0.816 158 K CB 2.937 35.387 32.500 -0.082 0.000 1.250 158 K HN -0.673 7.456 8.250 -0.201 0.000 0.434 159 P HA -0.160 4.288 4.420 0.046 0.000 0.216 159 P C 0.960 178.271 177.300 0.017 0.000 1.153 159 P CA 2.361 65.446 63.100 -0.024 0.000 0.848 159 P CB -0.004 31.621 31.700 -0.126 0.000 0.787 160 V N -1.594 118.322 119.914 0.004 0.000 2.720 160 V HA -0.228 4.141 4.120 0.036 -0.227 0.256 160 V C 2.190 178.315 176.094 0.051 0.000 1.082 160 V CA 2.825 65.143 62.300 0.029 0.000 1.101 160 V CB -0.561 31.276 31.823 0.023 0.000 0.693 160 V HN -0.068 8.116 8.190 -0.011 0.000 0.479 161 D N 0.818 121.241 120.400 0.038 0.000 2.310 161 D HA -0.211 4.481 4.640 0.087 0.000 0.212 161 D C 0.630 177.014 176.300 0.139 0.000 0.965 161 D CA 2.110 56.163 54.000 0.088 0.000 0.879 161 D CB -0.180 40.661 40.800 0.069 0.000 0.921 161 D HN -0.261 7.937 8.370 0.004 0.175 0.510 162 W N -1.310 119.892 121.300 -0.164 0.000 3.353 162 W HA -0.034 4.254 4.660 -0.620 0.000 0.304 162 W C 0.541 176.765 176.519 -0.492 0.000 1.273 162 W CA -0.017 57.039 57.345 -0.482 0.000 1.773 162 W CB 0.460 29.569 29.460 -0.586 0.000 1.095 162 W HN -0.138 7.915 8.180 0.105 0.190 0.676 163 G N -2.397 106.420 108.800 0.028 0.000 2.162 163 G HA2 -0.461 3.596 3.960 0.161 0.000 0.260 163 G HA3 -0.461 3.622 3.960 0.206 0.000 0.260 163 G C -1.339 173.647 174.900 0.144 0.000 0.976 163 G CA 0.221 45.394 45.100 0.122 0.000 0.655 163 G HN -0.181 7.959 8.290 0.081 0.199 0.533 164 A N -0.342 122.520 122.820 0.071 0.000 2.306 164 A HA 0.327 4.729 4.320 0.137 0.000 0.314 164 A C -0.556 177.053 177.584 0.042 0.000 1.164 164 A CA -1.239 50.841 52.037 0.071 0.000 0.822 164 A CB 1.527 20.511 19.000 -0.027 0.000 1.130 164 A HN -0.878 7.237 8.150 0.050 0.064 0.496 165 A N 1.230 124.076 122.820 0.043 0.000 2.208 165 A HA 0.026 4.363 4.320 0.028 0.000 0.209 165 A C -0.572 177.011 177.584 -0.001 0.000 1.161 165 A CA 1.465 53.517 52.037 0.025 0.000 0.782 165 A CB -0.016 19.003 19.000 0.031 0.000 0.816 165 A HN 0.502 8.688 8.150 0.061 0.000 0.477 166 S N -2.279 113.406 115.700 -0.025 0.000 2.564 166 S HA 0.212 4.649 4.470 -0.054 0.000 0.274 166 S C -2.365 172.155 174.600 -0.134 0.000 1.124 166 S CA -2.710 55.454 58.200 -0.060 0.000 0.869 166 S CB 1.946 65.124 63.200 -0.037 0.000 1.105 166 S HN -0.722 7.517 8.310 -0.021 0.059 0.472 167 P HA 0.091 4.336 4.420 -0.292 0.000 0.258 167 P C -1.716 175.430 177.300 -0.257 0.000 1.403 167 P CA -0.046 62.852 63.100 -0.336 0.000 0.826 167 P CB -0.091 31.149 31.700 -0.767 0.000 1.414 168 A N -0.083 122.623 122.820 -0.190 0.000 2.354 168 A HA 0.121 4.374 4.320 -0.111 0.000 0.281 168 A C -1.413 176.036 177.584 -0.226 0.000 1.174 168 A CA -0.381 51.571 52.037 -0.141 0.000 0.828 168 A CB 1.307 20.269 19.000 -0.063 0.000 1.099 168 A HN -0.651 7.278 8.150 -0.157 0.127 0.516 169 I N 2.414 122.859 120.570 -0.208 0.000 2.571 169 I HA 0.100 4.136 4.170 -0.222 0.000 0.289 169 I C -1.132 174.962 176.117 -0.038 0.000 1.115 169 I CA -0.767 60.384 61.300 -0.247 0.000 1.045 169 I CB 1.760 39.460 38.000 -0.500 0.000 1.238 169 I HN 0.124 8.253 8.210 -0.135 0.000 0.424 170 Q N 3.085 122.919 119.800 0.057 0.000 2.353 170 Q HA 0.347 4.693 4.340 0.010 0.000 0.240 170 Q C -0.201 175.812 176.000 0.021 0.000 0.868 170 Q CA 0.129 55.954 55.803 0.035 0.000 0.944 170 Q CB 2.435 31.189 28.738 0.025 0.000 1.104 170 Q HN 0.247 8.596 8.270 0.132 0.000 0.531 171 S N -2.534 113.245 115.700 0.132 0.000 2.565 171 S HA 0.513 4.914 4.470 -0.260 -0.087 0.269 171 S C -2.287 172.543 174.600 0.384 0.000 1.153 171 S CA -0.400 57.824 58.200 0.040 0.000 0.835 171 S CB 2.259 65.457 63.200 -0.002 0.000 1.122 171 S HN -0.641 7.834 8.310 0.275 0.000 0.462 172 F N -1.943 118.336 119.950 0.548 0.000 2.654 172 F HA 1.026 6.183 4.527 0.799 -0.151 0.308 172 F C -2.344 173.801 175.800 0.575 0.000 1.108 172 F CA -1.849 56.528 58.000 0.628 0.000 0.957 172 F CB 3.346 42.640 39.000 0.490 0.000 1.309 172 F HN 0.441 8.527 8.300 -0.356 0.000 0.446 173 R N -0.819 120.171 120.500 0.815 0.000 2.707 173 R HA 0.473 5.051 4.340 0.396 0.000 0.272 173 R C -1.791 174.541 176.300 0.054 0.000 1.011 173 R CA -1.350 54.961 56.100 0.352 0.000 0.893 173 R CB 5.220 35.493 30.300 -0.044 0.000 1.233 173 R HN 0.566 9.351 8.270 0.859 0.000 0.464 174 R N 0.903 121.123 120.500 -0.466 0.000 2.410 174 R HA 0.429 4.169 4.340 -1.252 -0.152 0.288 174 R C -0.566 175.488 176.300 -0.410 0.000 1.051 174 R CA -0.712 54.822 56.100 -0.944 0.000 1.021 174 R CB 0.975 30.535 30.300 -1.232 0.000 1.032 174 R HN 0.249 8.320 8.270 -0.332 0.000 0.481 175 I N 2.737 123.113 120.570 -0.323 0.000 2.342 175 I HA 0.068 4.168 4.170 -0.117 0.000 0.291 175 I C -1.080 174.953 176.117 -0.140 0.000 1.010 175 I CA -0.031 61.177 61.300 -0.154 0.000 1.308 175 I CB 0.529 38.480 38.000 -0.081 0.000 1.400 175 I HN -0.032 7.934 8.210 -0.407 0.000 0.488 176 V N 5.546 125.402 119.914 -0.097 0.000 2.925 176 V HA 0.293 4.372 4.120 -0.068 0.000 0.311 176 V C -0.408 175.664 176.094 -0.037 0.000 1.104 176 V CA -0.909 61.350 62.300 -0.069 0.000 0.954 176 V CB 2.009 33.789 31.823 -0.073 0.000 1.022 176 V HN 0.117 8.257 8.190 -0.082 0.000 0.427 177 E N 0.000 120.186 120.200 -0.023 0.000 2.725 177 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 177 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 177 E CB 0.000 29.697 29.700 -0.006 0.000 0.812 177 E HN 0.000 8.345 8.360 -0.025 0.000 0.440