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 2a5m_1_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 4.464 4.470 -0.010 0.000 0.327 1 S C 0.000 174.595 174.600 -0.009 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 1 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 2 K N 4.653 125.049 120.400 -0.007 0.000 2.245 2 K HA -0.033 4.282 4.320 -0.008 0.000 0.281 2 K C -0.040 176.561 176.600 0.002 0.000 1.079 2 K CA 0.539 56.823 56.287 -0.005 0.000 1.000 2 K CB -0.270 32.228 32.500 -0.003 0.000 1.038 2 K HN 0.129 8.375 8.250 -0.007 0.000 0.430 3 T N -0.744 113.814 114.554 0.005 0.000 3.030 3 T HA 0.278 4.636 4.350 0.013 0.000 0.274 3 T C 0.147 174.862 174.700 0.024 0.000 1.187 3 T CA -1.306 60.802 62.100 0.014 0.000 0.949 3 T CB 1.050 69.928 68.868 0.016 0.000 2.268 3 T HN 0.097 8.338 8.240 0.002 0.000 0.554 4 G N 0.806 109.630 108.800 0.040 0.000 3.163 4 G HA2 -0.029 3.968 3.960 0.061 0.000 0.266 4 G HA3 -0.029 3.960 3.960 0.048 0.000 0.266 4 G C -1.556 173.403 174.900 0.099 0.000 3.692 4 G CA 0.085 45.221 45.100 0.059 0.000 0.490 4 G HN -0.141 8.174 8.290 0.042 0.000 0.318 5 G N 0.622 109.509 108.800 0.146 0.000 2.467 5 G HA2 0.189 4.300 3.960 0.236 0.000 0.257 5 G HA3 0.189 4.315 3.960 0.303 0.016 0.257 5 G C -2.090 173.061 174.900 0.417 0.000 1.227 5 G CA -0.507 44.767 45.100 0.291 0.000 0.835 5 G HN 0.152 8.509 8.290 0.111 0.000 0.556 6 K N 2.411 123.005 120.400 0.323 0.000 2.543 6 K HA 0.704 5.211 4.320 0.003 -0.186 0.255 6 K C -2.471 173.920 176.600 -0.349 0.000 0.934 6 K CA -0.737 55.549 56.287 -0.002 0.000 0.810 6 K CB 4.309 36.781 32.500 -0.047 0.000 1.315 6 K HN -0.081 8.367 8.250 0.329 0.000 0.433 7 I N 4.961 125.063 120.570 -0.779 0.000 2.647 7 I HA 0.700 4.563 4.170 -0.755 -0.146 0.295 7 I C -2.889 172.689 176.117 -0.897 0.000 1.078 7 I CA -2.239 58.450 61.300 -1.018 0.000 1.048 7 I CB 4.113 41.096 38.000 -1.695 0.000 1.239 7 I HN 0.448 8.205 8.210 -0.754 0.000 0.421 8 S N 7.173 122.380 115.700 -0.821 0.000 2.519 8 S HA 0.877 5.252 4.470 -0.603 -0.267 0.309 8 S C -0.891 173.186 174.600 -0.873 0.000 1.100 8 S CA -1.258 56.522 58.200 -0.700 0.000 1.059 8 S CB 2.053 65.014 63.200 -0.399 0.000 1.008 8 S HN 0.817 8.594 8.310 -0.704 0.110 0.478 9 F N 2.890 122.543 119.950 -0.495 0.000 2.443 9 F HA 0.456 5.067 4.527 -0.066 -0.123 0.335 9 F C -0.812 174.750 175.800 -0.395 0.000 1.104 9 F CA -1.776 56.071 58.000 -0.256 0.000 1.013 9 F CB 2.125 41.067 39.000 -0.097 0.000 1.136 9 F HN 0.786 9.039 8.300 -0.079 0.000 0.470 10 Y N -0.530 119.923 120.300 0.255 0.000 2.409 10 Y HA 0.537 5.411 4.550 0.224 -0.189 0.343 10 Y C 0.698 176.718 175.900 0.200 0.000 0.973 10 Y CA -1.957 56.273 58.100 0.215 0.000 1.064 10 Y CB 2.163 40.733 38.460 0.183 0.000 1.207 10 Y HN 0.627 9.251 8.280 0.573 0.000 0.452 11 E N 1.685 122.063 120.200 0.297 0.000 2.204 11 E HA -0.212 4.450 4.350 0.204 -0.190 0.194 11 E C -0.028 176.684 176.600 0.187 0.000 0.989 11 E CA 1.755 58.279 56.400 0.208 0.000 0.824 11 E CB 0.912 30.699 29.700 0.146 0.000 0.756 11 E HN 0.244 8.768 8.360 0.274 0.000 0.477 12 D N -2.572 117.942 120.400 0.191 0.000 2.392 12 D HA 0.319 5.030 4.640 0.119 0.000 0.246 12 D C -0.852 175.511 176.300 0.106 0.000 1.013 12 D CA -1.581 52.493 54.000 0.124 0.000 0.993 12 D CB 2.281 43.123 40.800 0.070 0.000 1.219 12 D HN -0.444 8.043 8.370 0.236 0.024 0.538 13 R N -1.804 118.730 120.500 0.056 0.000 2.679 13 R HA -0.272 4.109 4.340 0.068 0.000 0.269 13 R C 0.748 176.939 176.300 -0.183 0.000 1.076 13 R CA 1.483 57.586 56.100 0.005 0.000 1.160 13 R CB 0.579 30.890 30.300 0.019 0.000 1.054 13 R HN 0.154 8.458 8.270 0.056 0.000 0.507 14 N N -1.062 117.471 118.700 -0.277 0.000 2.776 14 N HA -0.354 4.032 4.740 -0.590 0.000 0.249 14 N C -1.190 173.381 175.510 -1.566 0.000 1.111 14 N CA 1.278 53.867 53.050 -0.769 0.000 0.711 14 N CB -1.848 36.240 38.487 -0.665 0.000 1.065 14 N HN 0.777 8.974 8.380 -0.135 0.102 0.556 15 F N -11.498 108.257 119.950 -0.325 0.000 3.048 15 F HA -0.481 3.364 4.527 -1.137 0.000 0.269 15 F C -1.570 174.104 175.800 -0.211 0.000 0.960 15 F CA 0.491 58.046 58.000 -0.741 0.000 0.909 15 F CB -3.557 34.809 39.000 -1.056 0.000 0.837 15 F HN -0.173 7.928 8.300 -0.294 0.023 0.768 16 Q N -0.137 119.593 119.800 -0.117 0.000 2.306 16 Q HA 0.159 4.539 4.340 0.067 0.000 0.269 16 Q C -0.219 175.866 176.000 0.142 0.000 1.053 16 Q CA -0.805 55.002 55.803 0.007 0.000 0.879 16 Q CB 3.102 31.779 28.738 -0.101 0.000 1.344 16 Q HN -0.826 7.344 8.270 -0.150 0.010 0.464 17 G N -1.058 107.821 108.800 0.132 0.000 2.660 17 G HA2 -0.370 3.652 3.960 0.102 0.000 0.215 17 G HA3 -0.370 3.897 3.960 0.141 -0.221 0.215 17 G C -1.903 173.104 174.900 0.177 0.000 1.345 17 G CA -0.443 44.741 45.100 0.139 0.000 0.877 17 G HN -0.033 8.320 8.290 0.104 0.000 0.549 18 R N 0.455 121.045 120.500 0.151 0.000 2.590 18 R HA -0.097 4.324 4.340 0.135 0.000 0.274 18 R C -1.021 175.379 176.300 0.166 0.000 1.061 18 R CA 0.155 56.342 56.100 0.145 0.000 1.081 18 R CB 0.879 31.247 30.300 0.114 0.000 0.984 18 R HN 0.337 8.823 8.270 0.130 -0.139 0.448 19 R N 3.959 124.535 120.500 0.127 0.000 2.740 19 R HA 0.819 5.272 4.340 -0.137 -0.195 0.282 19 R C -1.606 174.740 176.300 0.077 0.000 0.969 19 R CA -1.602 54.479 56.100 -0.031 0.000 0.918 19 R CB 3.117 33.358 30.300 -0.098 0.000 1.175 19 R HN 0.038 8.387 8.270 0.130 0.000 0.464 20 Y N 5.154 125.387 120.300 -0.112 0.000 2.373 20 Y HA 0.193 4.757 4.550 0.022 0.000 0.336 20 Y C -2.679 173.203 175.900 -0.031 0.000 0.979 20 Y CA -1.188 56.918 58.100 0.010 0.000 1.080 20 Y CB 3.383 41.923 38.460 0.133 0.000 1.190 20 Y HN 0.833 9.051 8.280 -0.104 0.000 0.446 21 D N 8.123 128.059 120.400 -0.774 0.000 2.256 21 D HA 0.636 5.122 4.640 -0.559 -0.182 0.246 21 D C -1.349 174.401 176.300 -0.917 0.000 1.042 21 D CA -0.696 52.900 54.000 -0.674 0.000 0.841 21 D CB 2.879 43.453 40.800 -0.377 0.000 1.223 21 D HN 0.031 8.014 8.370 -0.646 0.000 0.470 22 C N 2.099 121.016 119.300 -0.638 0.000 2.547 22 C HA 0.280 4.497 4.460 -0.406 0.000 0.313 22 C C -1.535 173.321 174.990 -0.223 0.000 1.191 22 C CA -2.096 56.667 59.018 -0.425 0.000 1.474 22 C CB 2.892 30.465 27.740 -0.277 0.000 2.081 22 C HN 0.548 8.442 8.230 -0.559 0.000 0.476 23 D N 4.506 124.896 120.400 -0.017 0.000 2.479 23 D HA 0.296 5.210 4.640 0.204 -0.152 0.218 23 D C -0.795 175.695 176.300 0.317 0.000 1.177 23 D CA -1.262 52.830 54.000 0.154 0.000 0.830 23 D CB -0.795 40.043 40.800 0.064 0.000 1.014 23 D HN 0.321 8.673 8.370 -0.031 0.000 0.503 24 C N -2.711 116.811 119.300 0.371 0.000 3.320 24 C HA 0.263 4.890 4.460 0.278 0.000 0.335 24 C C -1.225 173.993 174.990 0.379 0.000 1.430 24 C CA -1.597 57.610 59.018 0.315 0.000 1.271 24 C CB 3.068 30.910 27.740 0.170 0.000 1.609 24 C HN -0.697 7.648 8.230 0.296 0.062 0.457 25 D N 0.269 120.822 120.400 0.255 0.000 2.443 25 D HA -0.199 4.763 4.640 0.377 -0.096 0.239 25 D C -1.191 175.271 176.300 0.270 0.000 1.136 25 D CA 0.909 55.072 54.000 0.271 0.000 0.879 25 D CB -0.257 40.630 40.800 0.146 0.000 1.195 25 D HN -0.168 8.302 8.370 0.166 0.000 0.443 26 C N 1.743 121.226 119.300 0.304 0.000 2.381 26 C HA 0.239 4.832 4.460 0.221 0.000 0.328 26 C C -0.232 174.935 174.990 0.295 0.000 1.190 26 C CA -1.456 57.716 59.018 0.256 0.000 1.369 26 C CB 2.851 30.721 27.740 0.216 0.000 2.029 26 C HN 0.506 8.946 8.230 0.349 0.000 0.448 27 A N 7.200 130.158 122.820 0.231 0.000 2.016 27 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 27 A C -1.515 176.056 177.584 -0.021 0.000 1.162 27 A CA 1.769 53.839 52.037 0.055 0.000 0.662 27 A CB 0.227 19.233 19.000 0.009 0.000 0.812 27 A HN 0.716 8.989 8.150 0.205 0.000 0.450 28 D N -3.217 117.229 120.400 0.078 0.000 2.365 28 D HA 0.186 5.049 4.640 0.027 -0.206 0.235 28 D C -0.665 175.691 176.300 0.093 0.000 1.368 28 D CA -0.133 53.890 54.000 0.039 0.000 1.001 28 D CB 1.033 41.812 40.800 -0.035 0.000 1.364 28 D HN -0.732 7.688 8.370 0.123 0.024 0.577 29 F N 2.898 122.773 119.950 -0.124 0.000 2.664 29 F HA 0.452 4.898 4.527 -0.135 0.000 0.303 29 F C 0.186 175.857 175.800 -0.215 0.000 1.092 29 F CA -1.348 56.505 58.000 -0.244 0.000 1.305 29 F CB 0.279 38.984 39.000 -0.491 0.000 1.054 29 F HN -0.446 8.052 8.300 0.331 0.000 0.565 30 R N 1.282 121.320 120.500 -0.769 0.000 2.200 30 R HA -0.258 3.695 4.340 -0.986 -0.204 0.234 30 R C 1.151 177.209 176.300 -0.402 0.000 1.127 30 R CA 2.895 58.577 56.100 -0.697 0.000 0.989 30 R CB -0.994 29.033 30.300 -0.455 0.000 0.869 30 R HN 0.158 8.121 8.270 -0.536 -0.015 0.459 31 S N -3.010 112.517 115.700 -0.287 0.000 2.481 31 S HA -0.149 4.144 4.470 -0.296 0.000 0.231 31 S C 0.762 175.064 174.600 -0.498 0.000 0.996 31 S CA 2.000 59.989 58.200 -0.352 0.000 0.942 31 S CB 0.045 63.019 63.200 -0.377 0.000 0.768 31 S HN -0.028 8.124 8.310 -0.203 0.036 0.520 32 Y N -2.998 117.097 120.300 -0.342 0.000 2.507 32 Y HA 0.054 4.511 4.550 -0.155 0.000 0.263 32 Y C -0.061 175.704 175.900 -0.225 0.000 1.093 32 Y CA 0.856 58.776 58.100 -0.300 0.000 1.285 32 Y CB 1.529 39.608 38.460 -0.634 0.000 1.115 32 Y HN -0.476 7.556 8.280 -0.122 0.174 0.533 33 L N -1.977 119.149 121.223 -0.163 0.000 2.543 33 L HA 0.310 4.642 4.340 -0.013 0.000 0.265 33 L C -1.276 175.460 176.870 -0.223 0.000 0.945 33 L CA -0.420 54.368 54.840 -0.088 0.000 0.869 33 L CB 3.856 45.980 42.059 0.109 0.000 1.294 33 L HN -0.655 7.288 8.230 -0.312 0.100 0.405 34 S N 4.152 119.779 115.700 -0.122 0.000 2.558 34 S HA -0.023 4.327 4.470 -0.201 0.000 0.217 34 S C -0.267 174.280 174.600 -0.088 0.000 0.975 34 S CA 1.321 59.441 58.200 -0.134 0.000 0.912 34 S CB 0.770 63.922 63.200 -0.080 0.000 0.776 34 S HN -0.040 8.449 8.310 -0.058 -0.214 0.526 35 R N -2.369 118.119 120.500 -0.020 0.000 2.765 35 R HA 0.155 4.518 4.340 0.039 0.000 0.277 35 R C -2.389 174.003 176.300 0.153 0.000 1.028 35 R CA 0.086 56.217 56.100 0.052 0.000 0.860 35 R CB 3.067 33.393 30.300 0.043 0.000 1.270 35 R HN -0.787 7.433 8.270 0.003 0.052 0.484 36 C N 2.523 121.946 119.300 0.205 0.000 2.522 36 C HA 0.589 5.416 4.460 0.294 -0.191 0.344 36 C C -2.326 172.829 174.990 0.274 0.000 1.104 36 C CA -2.393 56.795 59.018 0.283 0.000 1.317 36 C CB 1.679 29.634 27.740 0.359 0.000 1.896 36 C HN 0.323 8.660 8.230 0.178 0.000 0.443 37 N N 6.913 125.786 118.700 0.288 0.000 2.205 37 N HA 0.230 5.185 4.740 0.357 0.000 0.201 37 N C -1.645 174.112 175.510 0.411 0.000 1.128 37 N CA -0.222 53.038 53.050 0.350 0.000 0.867 37 N CB 1.715 40.375 38.487 0.289 0.000 0.996 37 N HN 0.495 9.046 8.380 0.286 0.000 0.503 38 S N -2.729 113.183 115.700 0.353 0.000 2.547 38 S HA 0.314 4.967 4.470 0.305 0.000 0.270 38 S C -2.466 172.335 174.600 0.335 0.000 1.150 38 S CA -0.316 58.067 58.200 0.305 0.000 0.850 38 S CB 2.785 66.103 63.200 0.198 0.000 1.118 38 S HN -0.781 7.688 8.310 0.362 0.058 0.461 39 I N -1.158 119.548 120.570 0.226 0.000 2.827 39 I HA 0.658 5.107 4.170 0.182 -0.170 0.298 39 I C -2.473 173.714 176.117 0.116 0.000 1.235 39 I CA -0.744 60.598 61.300 0.070 0.000 1.021 39 I CB 5.580 43.388 38.000 -0.321 0.000 1.259 39 I HN 0.447 8.797 8.210 0.234 0.000 0.427 40 R N 3.933 124.472 120.500 0.065 0.000 2.439 40 R HA 0.457 4.980 4.340 0.110 -0.117 0.310 40 R C -2.016 174.200 176.300 -0.139 0.000 0.955 40 R CA -1.352 54.772 56.100 0.039 0.000 0.853 40 R CB 3.510 33.859 30.300 0.081 0.000 1.171 40 R HN 0.900 9.035 8.270 -0.041 0.111 0.449 41 V N 7.452 127.332 119.914 -0.057 0.000 2.328 41 V HA 0.305 4.249 4.120 -0.294 0.000 0.278 41 V C -0.541 175.532 176.094 -0.035 0.000 1.021 41 V CA -0.469 61.762 62.300 -0.115 0.000 0.838 41 V CB 0.042 31.865 31.823 -0.000 0.000 0.999 41 V HN 1.067 9.207 8.190 0.083 0.100 0.447 42 E N 9.087 129.247 120.200 -0.065 0.000 2.170 42 E HA 0.013 4.346 4.350 -0.028 0.000 0.191 42 E C -0.046 176.570 176.600 0.028 0.000 0.981 42 E CA 0.702 57.087 56.400 -0.026 0.000 0.830 42 E CB 1.194 30.865 29.700 -0.048 0.000 0.775 42 E HN 0.397 8.675 8.360 -0.136 0.000 0.470 43 G N -3.215 105.637 108.800 0.086 0.000 2.703 43 G HA2 0.197 4.211 3.960 0.089 0.000 0.294 43 G HA3 0.197 4.215 3.960 0.096 0.000 0.294 43 G C -1.924 173.113 174.900 0.229 0.000 1.451 43 G CA -0.237 44.935 45.100 0.121 0.000 0.869 43 G HN -0.710 7.638 8.290 0.097 0.000 0.516 44 G N 0.929 109.817 108.800 0.146 0.000 2.795 44 G HA2 -0.427 3.536 3.960 0.005 0.000 0.664 44 G HA3 -0.427 3.574 3.960 0.068 0.000 0.664 44 G C -1.848 173.114 174.900 0.103 0.000 1.381 44 G CA -0.355 44.793 45.100 0.080 0.000 0.853 44 G HN -0.083 8.264 8.290 0.094 0.000 0.545 45 T N 0.282 114.763 114.554 -0.121 0.000 2.952 45 T HA 0.460 5.036 4.350 0.158 -0.132 0.286 45 T C -0.690 173.829 174.700 -0.302 0.000 1.024 45 T CA -0.330 61.744 62.100 -0.043 0.000 1.029 45 T CB 2.775 71.599 68.868 -0.072 0.000 1.094 45 T HN -0.160 7.918 8.240 -0.269 0.000 0.515 46 W N 0.604 121.872 121.300 -0.052 0.000 3.217 46 W HA 0.301 5.055 4.660 -0.055 -0.127 0.323 46 W C -2.400 174.115 176.519 -0.007 0.000 1.216 46 W CA -0.541 56.776 57.345 -0.046 0.000 1.194 46 W CB 4.549 33.971 29.460 -0.063 0.000 1.397 46 W HN 0.370 8.676 8.180 0.211 0.000 0.537 47 A N 0.879 123.847 122.820 0.246 0.000 2.304 47 A HA 1.045 5.660 4.320 0.163 -0.198 0.323 47 A C -1.922 175.850 177.584 0.313 0.000 1.195 47 A CA -2.249 49.916 52.037 0.213 0.000 0.826 47 A CB 2.570 21.692 19.000 0.204 0.000 1.184 47 A HN 1.140 9.435 8.150 0.241 0.000 0.496 48 V N -2.037 118.010 119.914 0.222 0.000 2.628 48 V HA 0.870 5.369 4.120 0.417 -0.129 0.306 48 V C -1.686 174.547 176.094 0.231 0.000 1.045 48 V CA -2.846 59.633 62.300 0.299 0.000 0.905 48 V CB 2.642 34.548 31.823 0.139 0.000 0.997 48 V HN 0.470 8.762 8.190 0.169 0.000 0.436 49 Y N 2.268 122.773 120.300 0.342 0.000 2.446 49 Y HA 0.722 5.697 4.550 0.344 -0.218 0.345 49 Y C 0.256 176.355 175.900 0.333 0.000 0.984 49 Y CA -1.360 56.942 58.100 0.336 0.000 1.058 49 Y CB 3.498 42.142 38.460 0.307 0.000 1.220 49 Y HN 0.314 8.980 8.280 0.645 0.000 0.455 50 E N 2.590 123.060 120.200 0.451 0.000 2.150 50 E HA -0.101 4.726 4.350 0.409 -0.231 0.193 50 E C 0.217 176.982 176.600 0.275 0.000 0.985 50 E CA 1.891 58.517 56.400 0.377 0.000 0.814 50 E CB 0.998 30.917 29.700 0.364 0.000 0.752 50 E HN 0.045 8.656 8.360 0.419 0.000 0.466 51 R N -3.805 116.844 120.500 0.249 0.000 2.854 51 R HA 0.500 4.904 4.340 0.108 0.000 0.271 51 R C -2.839 173.513 176.300 0.087 0.000 0.996 51 R CA -3.323 52.858 56.100 0.136 0.000 0.961 51 R CB 1.642 32.001 30.300 0.098 0.000 1.182 51 R HN -0.565 7.887 8.270 0.304 0.000 0.479 52 P HA -0.229 4.123 4.420 -0.113 0.000 0.271 52 P C -0.084 177.079 177.300 -0.230 0.000 1.233 52 P CA -0.289 62.742 63.100 -0.115 0.000 0.795 52 P CB 0.619 32.249 31.700 -0.116 0.000 0.936 53 N N -1.248 117.152 118.700 -0.500 0.000 2.754 53 N HA -0.451 3.700 4.740 -0.982 0.000 0.248 53 N C -1.622 173.517 175.510 -0.619 0.000 1.093 53 N CA 0.699 53.352 53.050 -0.661 0.000 0.699 53 N CB -0.505 37.820 38.487 -0.270 0.000 1.016 53 N HN -0.103 7.952 8.380 -0.542 0.000 0.552 54 F N -7.743 112.057 119.950 -0.250 0.000 2.943 54 F HA -0.377 3.423 4.527 -1.211 0.000 0.258 54 F C -1.271 174.297 175.800 -0.388 0.000 0.995 54 F CA 0.409 57.928 58.000 -0.802 0.000 0.896 54 F CB -3.092 35.375 39.000 -0.888 0.000 0.821 54 F HN -0.249 7.377 8.300 -1.103 0.012 0.828 55 S N -0.915 114.837 115.700 0.088 0.000 2.634 55 S HA 0.197 4.804 4.470 0.229 0.000 0.296 55 S C -0.496 174.276 174.600 0.288 0.000 1.104 55 S CA -1.143 57.175 58.200 0.197 0.000 0.920 55 S CB 2.868 66.114 63.200 0.076 0.000 1.111 55 S HN -0.654 7.691 8.310 0.059 0.000 0.493 56 G N 0.647 109.558 108.800 0.186 0.000 2.615 56 G HA2 -0.359 3.583 3.960 -0.030 0.000 0.218 56 G HA3 -0.359 3.689 3.960 0.148 0.000 0.218 56 G C -1.710 173.215 174.900 0.042 0.000 1.339 56 G CA -0.054 45.098 45.100 0.087 0.000 0.884 56 G HN 0.063 8.441 8.290 0.147 0.000 0.559 57 H N 0.812 119.953 119.070 0.118 0.000 2.848 57 H HA 0.036 4.525 4.556 -0.112 0.000 0.341 57 H C -0.241 174.980 175.328 -0.178 0.000 1.060 57 H CA 0.715 56.735 56.048 -0.046 0.000 1.444 57 H CB 0.456 30.238 29.762 0.033 0.000 1.446 57 H HN 0.005 8.358 8.280 0.123 0.000 0.583 58 M N 0.284 119.649 119.600 -0.392 0.000 2.383 58 M HA 0.897 5.131 4.480 -0.760 -0.211 0.325 58 M C -2.224 173.669 176.300 -0.678 0.000 1.092 58 M CA -1.030 53.861 55.300 -0.683 0.000 0.961 58 M CB 3.264 35.389 32.600 -0.791 0.000 1.672 58 M HN 0.197 8.233 8.290 -0.424 0.000 0.438 59 Y N 0.162 120.430 120.300 -0.054 0.000 2.442 59 Y HA 0.290 4.869 4.550 0.049 0.000 0.344 59 Y C -1.794 174.201 175.900 0.159 0.000 0.976 59 Y CA -0.800 57.389 58.100 0.148 0.000 1.040 59 Y CB 4.191 42.949 38.460 0.496 0.000 1.228 59 Y HN 0.281 8.538 8.280 -0.037 0.000 0.451 60 I N 2.194 122.942 120.570 0.296 0.000 2.353 60 I HA 0.232 4.643 4.170 0.160 -0.145 0.293 60 I C -0.954 175.298 176.117 0.225 0.000 0.992 60 I CA -1.153 60.266 61.300 0.199 0.000 1.268 60 I CB 1.051 39.127 38.000 0.128 0.000 1.387 60 I HN 0.084 8.481 8.210 0.313 0.000 0.478 61 L N 7.545 128.859 121.223 0.152 0.000 2.316 61 L HA 0.541 4.921 4.340 0.067 0.000 0.280 61 L C -2.642 174.303 176.870 0.125 0.000 1.006 61 L CA -3.136 51.739 54.840 0.058 0.000 0.836 61 L CB 3.287 45.252 42.059 -0.157 0.000 1.221 61 L HN 0.958 9.167 8.230 0.156 0.114 0.418 62 P HA 0.049 4.545 4.420 0.127 0.000 0.276 62 P C -0.992 176.429 177.300 0.202 0.000 1.261 62 P CA -1.469 61.727 63.100 0.161 0.000 0.800 62 P CB 0.828 32.612 31.700 0.140 0.000 1.066 63 Q N 1.137 121.031 119.800 0.157 0.000 2.333 63 Q HA -0.431 4.005 4.340 0.159 0.000 0.299 63 Q C -0.383 175.705 176.000 0.147 0.000 1.067 63 Q CA 1.587 57.476 55.803 0.143 0.000 0.943 63 Q CB 0.242 29.034 28.738 0.090 0.000 1.233 63 Q HN -0.273 8.239 8.270 0.120 -0.169 0.401 64 G N 3.907 112.790 108.800 0.139 0.000 2.341 64 G HA2 -0.138 3.807 3.960 -0.025 0.000 0.293 64 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.293 64 G C -3.547 171.368 174.900 0.026 0.000 1.298 64 G CA -0.125 44.998 45.100 0.039 0.000 0.868 64 G HN -0.095 8.160 8.290 0.123 0.109 0.540 65 E N 0.385 120.469 120.200 -0.193 0.000 2.176 65 E HA 0.337 4.713 4.350 0.043 0.000 0.267 65 E C -2.048 174.353 176.600 -0.332 0.000 0.893 65 E CA -1.546 54.779 56.400 -0.125 0.000 0.761 65 E CB 2.129 31.747 29.700 -0.138 0.000 1.133 65 E HN 0.058 8.239 8.360 -0.299 0.000 0.409 66 Y N 5.297 125.595 120.300 -0.004 0.000 2.555 66 Y HA 0.340 4.910 4.550 0.034 0.000 0.326 66 Y C -1.729 174.201 175.900 0.049 0.000 0.984 66 Y CA -3.097 55.024 58.100 0.035 0.000 1.298 66 Y CB 0.324 38.822 38.460 0.064 0.000 1.094 66 Y HN 0.350 8.828 8.280 0.330 0.000 0.500 67 P HA -0.083 4.432 4.420 0.159 0.000 0.239 67 P C -1.614 175.730 177.300 0.073 0.000 1.184 67 P CA 0.508 63.672 63.100 0.106 0.000 0.760 67 P CB 0.270 32.013 31.700 0.070 0.000 0.884 68 E N -6.473 113.792 120.200 0.109 0.000 2.390 68 E HA 0.569 5.135 4.350 0.136 -0.134 0.280 68 E C 0.907 177.585 176.600 0.129 0.000 0.992 68 E CA -1.491 54.949 56.400 0.068 0.000 0.790 68 E CB 4.547 34.187 29.700 -0.101 0.000 1.248 68 E HN -0.875 7.513 8.360 0.159 0.067 0.447 69 Y N 2.153 122.592 120.300 0.233 0.000 2.224 69 Y HA -0.387 4.493 4.550 0.551 0.000 0.289 69 Y C 1.171 177.202 175.900 0.218 0.000 1.146 69 Y CA 3.599 61.918 58.100 0.365 0.000 1.182 69 Y CB -0.464 38.207 38.460 0.351 0.000 0.983 69 Y HN 0.673 9.182 8.280 0.383 0.000 0.524 70 Q N -1.206 118.165 119.800 -0.714 0.000 2.291 70 Q HA -0.332 3.832 4.340 -0.294 0.000 0.206 70 Q C 2.325 178.243 176.000 -0.137 0.000 0.976 70 Q CA 2.365 57.913 55.803 -0.424 0.000 0.875 70 Q CB -0.816 27.608 28.738 -0.525 0.000 0.927 70 Q HN 0.361 7.704 8.270 -1.532 0.007 0.450 71 R N 0.449 120.947 120.500 -0.002 0.000 2.235 71 R HA -0.168 4.210 4.340 0.063 0.000 0.213 71 R C 0.252 176.779 176.300 0.378 0.000 1.059 71 R CA 1.896 58.092 56.100 0.160 0.000 0.997 71 R CB -0.005 30.415 30.300 0.199 0.000 0.884 71 R HN -0.417 7.673 8.270 -0.032 0.161 0.462 72 W N -2.002 119.353 121.300 0.092 0.000 3.123 72 W HA 0.200 4.852 4.660 -0.013 0.000 0.383 72 W C -1.761 174.643 176.519 -0.192 0.000 1.102 72 W CA -1.124 56.181 57.345 -0.068 0.000 1.865 72 W CB 0.950 30.280 29.460 -0.217 0.000 1.111 72 W HN -0.280 7.897 8.180 0.314 0.192 0.621 73 M N -4.480 114.879 119.600 -0.401 0.000 2.762 73 M HA -0.508 3.751 4.480 -0.369 0.000 0.190 73 M C -0.432 175.184 176.300 -1.140 0.000 0.586 73 M CA 0.796 55.732 55.300 -0.607 0.000 0.620 73 M CB -2.885 29.420 32.600 -0.491 0.000 2.269 73 M HN -0.422 7.557 8.290 -0.148 0.222 0.563 74 G N -3.938 104.048 108.800 -1.357 0.000 2.484 74 G HA2 -0.166 2.248 3.960 -2.577 0.000 0.235 74 G HA3 -0.166 2.873 3.960 -1.536 0.000 0.235 74 G C 0.100 174.633 174.900 -0.611 0.000 1.282 74 G CA -0.355 43.738 45.100 -1.679 0.000 0.857 74 G HN -0.569 7.137 8.290 -0.892 0.049 0.571 75 L N 2.422 123.364 121.223 -0.467 0.000 2.179 75 L HA -0.025 4.201 4.340 -0.190 0.000 0.208 75 L C -0.212 176.587 176.870 -0.118 0.000 1.096 75 L CA 1.356 56.066 54.840 -0.216 0.000 0.779 75 L CB 0.364 42.286 42.059 -0.227 0.000 0.922 75 L HN 0.474 8.396 8.230 -0.512 0.000 0.443 76 N N -4.344 114.280 118.700 -0.127 0.000 3.364 76 N HA 0.006 4.515 4.740 -0.384 0.000 0.294 76 N C -2.023 173.386 175.510 -0.170 0.000 1.562 76 N CA -0.619 52.306 53.050 -0.210 0.000 0.862 76 N CB 1.980 40.418 38.487 -0.083 0.000 1.691 76 N HN -0.854 7.441 8.380 -0.111 0.019 0.572 77 D N -3.083 117.198 120.400 -0.200 0.000 2.460 77 D HA 0.067 4.859 4.640 0.165 -0.053 0.229 77 D C -0.809 175.571 176.300 0.133 0.000 1.170 77 D CA -0.360 53.642 54.000 0.003 0.000 0.827 77 D CB -1.001 39.754 40.800 -0.076 0.000 0.973 77 D HN 0.203 8.427 8.370 -0.243 0.000 0.496 78 R N -0.172 120.425 120.500 0.162 0.000 2.229 78 R HA 0.215 4.629 4.340 0.124 0.000 0.328 78 R C -2.213 174.254 176.300 0.277 0.000 1.009 78 R CA -0.189 56.013 56.100 0.171 0.000 0.864 78 R CB 1.180 31.557 30.300 0.129 0.000 1.085 78 R HN -0.759 7.614 8.270 0.144 -0.016 0.453 79 L N 6.089 127.474 121.223 0.270 0.000 2.476 79 L HA 0.423 5.174 4.340 0.377 -0.185 0.269 79 L C -1.143 175.963 176.870 0.393 0.000 0.965 79 L CA -0.653 54.411 54.840 0.373 0.000 0.845 79 L CB 3.660 45.938 42.059 0.365 0.000 1.259 79 L HN 0.456 8.805 8.230 0.198 0.000 0.403 80 G N 0.351 109.352 108.800 0.336 0.000 2.850 80 G HA2 0.253 4.158 3.960 -0.092 0.000 0.211 80 G HA3 0.253 4.329 3.960 0.072 -0.073 0.211 80 G C -1.249 173.852 174.900 0.335 0.000 1.124 80 G CA -0.113 45.088 45.100 0.170 0.000 0.769 80 G HN 0.440 8.929 8.290 0.333 0.000 0.535 81 S N -1.365 114.586 115.700 0.417 0.000 2.565 81 S HA 0.738 5.514 4.470 0.383 -0.076 0.269 81 S C -2.377 172.447 174.600 0.372 0.000 1.153 81 S CA -0.561 57.841 58.200 0.337 0.000 0.835 81 S CB 3.454 66.692 63.200 0.064 0.000 1.122 81 S HN -0.819 7.753 8.310 0.437 0.000 0.462 82 C N -1.766 117.741 119.300 0.345 0.000 2.888 82 C HA 0.960 5.860 4.460 0.472 -0.157 0.308 82 C C -2.069 173.185 174.990 0.439 0.000 1.213 82 C CA -2.661 56.580 59.018 0.373 0.000 1.461 82 C CB 4.439 32.283 27.740 0.173 0.000 1.934 82 C HN 0.876 9.315 8.230 0.349 0.000 0.474 83 R N 0.334 121.073 120.500 0.399 0.000 2.673 83 R HA 0.410 4.860 4.340 0.183 0.000 0.281 83 R C -1.829 174.468 176.300 -0.004 0.000 0.991 83 R CA -1.662 54.534 56.100 0.160 0.000 0.896 83 R CB 4.903 35.142 30.300 -0.102 0.000 1.201 83 R HN 0.685 9.218 8.270 0.438 0.000 0.457 84 A N 3.903 126.466 122.820 -0.429 0.000 2.409 84 A HA 0.186 3.528 4.320 -1.812 -0.109 0.262 84 A C -0.819 176.185 177.584 -0.967 0.000 1.113 84 A CA -0.599 50.681 52.037 -1.262 0.000 0.790 84 A CB 0.609 18.732 19.000 -1.462 0.000 1.046 84 A HN 0.358 8.350 8.150 -0.264 0.000 0.496 85 V N 5.579 125.002 119.914 -0.819 0.000 2.432 85 V HA 0.032 3.800 4.120 -0.586 0.000 0.275 85 V C -0.770 174.960 176.094 -0.606 0.000 1.043 85 V CA -0.764 61.182 62.300 -0.589 0.000 0.925 85 V CB 0.864 32.520 31.823 -0.279 0.000 0.985 85 V HN -0.192 7.364 8.190 -0.878 0.107 0.466 86 H N 6.620 125.588 119.070 -0.171 0.000 2.502 86 H HA 0.200 4.658 4.556 -0.163 0.000 0.327 86 H C -0.484 174.792 175.328 -0.087 0.000 1.099 86 H CA -0.550 55.417 56.048 -0.135 0.000 1.323 86 H CB 0.992 30.691 29.762 -0.104 0.000 1.450 86 H HN 0.197 8.115 8.280 -0.603 0.000 0.502 87 L N 2.957 124.197 121.223 0.029 0.000 2.307 87 L HA 0.132 4.466 4.340 -0.009 0.000 0.282 87 L C -0.498 176.381 176.870 0.016 0.000 1.051 87 L CA -0.898 53.942 54.840 0.000 0.000 0.804 87 L CB 0.929 42.974 42.059 -0.024 0.000 1.197 87 L HN 0.140 8.388 8.230 0.030 0.000 0.431 88 S N 2.586 118.295 115.700 0.015 0.000 2.449 88 S HA 0.169 4.649 4.470 0.016 0.000 0.310 88 S C -0.924 173.683 174.600 0.012 0.000 1.096 88 S CA -0.401 57.812 58.200 0.020 0.000 1.095 88 S CB 1.165 64.389 63.200 0.040 0.000 1.007 88 S HN 0.108 8.540 8.310 0.006 -0.118 0.474 89 S N 7.130 122.835 115.700 0.009 0.000 2.561 89 S HA 0.148 4.621 4.470 0.004 0.000 0.282 89 S C 0.387 174.998 174.600 0.019 0.000 1.123 89 S CA -0.797 57.408 58.200 0.008 0.000 1.011 89 S CB 0.880 64.082 63.200 0.003 0.000 1.244 89 S HN 0.124 8.439 8.310 0.008 0.000 0.503 90 G N -1.057 107.755 108.800 0.019 0.000 3.465 90 G HA2 -0.086 3.885 3.960 0.018 0.000 0.196 90 G HA3 -0.086 3.891 3.960 0.029 0.000 0.196 90 G C -1.083 173.833 174.900 0.027 0.000 1.170 90 G CA 0.007 45.121 45.100 0.023 0.000 0.887 90 G HN 0.299 8.597 8.290 0.014 0.000 0.444 91 G N 0.440 109.260 108.800 0.034 0.000 2.718 91 G HA2 -0.112 3.866 3.960 0.029 0.000 0.123 91 G HA3 -0.112 3.871 3.960 0.038 0.000 0.123 91 G C -1.797 173.131 174.900 0.048 0.000 1.042 91 G CA 0.118 45.240 45.100 0.037 0.000 1.397 91 G HN -0.192 8.121 8.290 0.038 0.000 0.611 92 Q N 2.151 121.989 119.800 0.064 0.000 2.327 92 Q HA 0.199 4.586 4.340 0.078 0.000 0.270 92 Q C -1.438 174.638 176.000 0.126 0.000 1.022 92 Q CA -0.840 55.014 55.803 0.085 0.000 0.773 92 Q CB 1.121 29.906 28.738 0.079 0.000 1.251 92 Q HN 0.170 8.477 8.270 0.062 0.000 0.457 93 A N 5.680 128.597 122.820 0.162 0.000 2.409 93 A HA 0.066 4.549 4.320 0.271 0.000 0.262 93 A C -1.674 176.120 177.584 0.351 0.000 1.113 93 A CA 0.030 52.240 52.037 0.289 0.000 0.790 93 A CB 0.906 20.092 19.000 0.310 0.000 1.046 93 A HN 0.362 8.589 8.150 0.128 0.000 0.496 94 K N 2.943 123.523 120.400 0.301 0.000 2.422 94 K HA 0.327 4.782 4.320 0.224 0.000 0.251 94 K C -2.031 174.589 176.600 0.034 0.000 0.933 94 K CA -0.577 55.820 56.287 0.184 0.000 0.798 94 K CB 3.436 36.002 32.500 0.110 0.000 1.238 94 K HN 0.207 8.623 8.250 0.277 0.000 0.428 95 I N 4.073 124.584 120.570 -0.098 0.000 2.608 95 I HA 0.571 4.529 4.170 -0.352 0.000 0.295 95 I C -3.135 172.858 176.117 -0.208 0.000 1.049 95 I CA -2.500 58.588 61.300 -0.353 0.000 1.063 95 I CB 4.121 41.612 38.000 -0.848 0.000 1.248 95 I HN 0.199 8.410 8.210 0.002 0.000 0.424 96 Q N 6.787 126.490 119.800 -0.163 0.000 2.340 96 Q HA 0.819 5.225 4.340 -0.160 -0.162 0.268 96 Q C -1.196 174.775 176.000 -0.048 0.000 1.031 96 Q CA -2.370 53.366 55.803 -0.111 0.000 0.804 96 Q CB 3.073 31.796 28.738 -0.025 0.000 1.286 96 Q HN 0.046 8.218 8.270 -0.163 0.000 0.448 97 V N -3.510 116.303 119.914 -0.169 0.000 2.769 97 V HA 0.511 4.805 4.120 0.289 0.000 0.312 97 V C -2.434 173.600 176.094 -0.101 0.000 1.061 97 V CA -2.568 59.743 62.300 0.018 0.000 0.931 97 V CB 2.943 34.699 31.823 -0.111 0.000 1.010 97 V HN 0.677 8.694 8.190 -0.287 0.000 0.433 98 F N 2.348 122.377 119.950 0.131 0.000 2.508 98 F HA 0.569 5.300 4.527 0.070 -0.162 0.325 98 F C 0.168 176.056 175.800 0.146 0.000 1.090 98 F CA -1.509 56.565 58.000 0.123 0.000 0.945 98 F CB 3.362 42.462 39.000 0.167 0.000 1.156 98 F HN 0.176 8.864 8.300 0.646 0.000 0.463 99 E N 3.044 123.390 120.200 0.244 0.000 2.204 99 E HA -0.203 4.303 4.350 0.260 0.000 0.194 99 E C 0.181 176.845 176.600 0.106 0.000 0.989 99 E CA 1.994 58.517 56.400 0.204 0.000 0.824 99 E CB 0.846 30.630 29.700 0.141 0.000 0.756 99 E HN 0.343 8.800 8.360 0.163 0.000 0.477 100 K N -2.704 117.738 120.400 0.069 0.000 2.313 100 K HA 0.289 4.327 4.320 -0.471 0.000 0.235 100 K C -0.371 176.191 176.600 -0.064 0.000 1.035 100 K CA -2.240 53.960 56.287 -0.146 0.000 0.868 100 K CB 3.332 35.773 32.500 -0.098 0.000 1.232 100 K HN -0.252 8.083 8.250 0.179 0.022 0.459 101 G N -1.470 107.247 108.800 -0.139 0.000 2.667 101 G HA2 -0.152 3.734 3.960 -0.124 0.000 0.250 101 G HA3 -0.152 3.719 3.960 -0.148 0.000 0.250 101 G C -0.383 174.336 174.900 -0.301 0.000 1.212 101 G CA -0.474 44.530 45.100 -0.161 0.000 0.874 101 G HN 0.179 8.341 8.290 -0.213 0.000 0.561 102 D N -2.225 117.846 120.400 -0.549 0.000 2.772 102 D HA -0.459 3.549 4.640 -1.053 0.000 0.233 102 D C -1.406 174.482 176.300 -0.686 0.000 1.143 102 D CA 1.401 54.969 54.000 -0.720 0.000 0.700 102 D CB -1.631 38.968 40.800 -0.336 0.000 1.076 102 D HN 0.091 8.114 8.370 -0.578 0.000 0.430 103 F N -7.745 111.968 119.950 -0.395 0.000 2.969 103 F HA -0.435 3.213 4.527 -1.463 0.000 0.273 103 F C -1.525 174.034 175.800 -0.401 0.000 0.986 103 F CA 0.523 57.946 58.000 -0.962 0.000 0.926 103 F CB -3.107 35.200 39.000 -1.155 0.000 0.887 103 F HN -0.033 7.595 8.300 -1.097 0.014 0.816 104 N N -0.263 118.471 118.700 0.056 0.000 2.469 104 N HA 0.074 4.927 4.740 0.188 0.000 0.286 104 N C -0.891 174.748 175.510 0.214 0.000 1.275 104 N CA -0.395 52.742 53.050 0.145 0.000 0.790 104 N CB 3.053 41.552 38.487 0.019 0.000 1.446 104 N HN -0.815 7.577 8.380 0.020 0.000 0.501 105 G N -0.573 108.313 108.800 0.143 0.000 2.587 105 G HA2 -0.322 3.672 3.960 0.055 0.000 0.212 105 G HA3 -0.322 3.693 3.960 0.091 0.000 0.212 105 G C -2.306 172.637 174.900 0.072 0.000 1.327 105 G CA -0.409 44.747 45.100 0.094 0.000 0.898 105 G HN 0.114 8.473 8.290 0.115 0.000 0.551 106 Q N 0.002 119.810 119.800 0.012 0.000 2.327 106 Q HA -0.025 4.230 4.340 -0.141 0.000 0.254 106 Q C -0.777 175.061 176.000 -0.271 0.000 0.952 106 Q CA 0.244 55.972 55.803 -0.126 0.000 0.884 106 Q CB 1.051 29.727 28.738 -0.105 0.000 1.224 106 Q HN 0.195 8.490 8.270 0.041 0.000 0.422 107 M N 3.979 123.275 119.600 -0.507 0.000 2.456 107 M HA 0.741 4.941 4.480 -0.802 -0.201 0.324 107 M C -1.316 174.526 176.300 -0.762 0.000 1.124 107 M CA -0.736 54.107 55.300 -0.762 0.000 0.959 107 M CB 3.219 35.249 32.600 -0.949 0.000 1.692 107 M HN 0.054 8.067 8.290 -0.462 0.000 0.444 108 Y N 2.882 122.936 120.300 -0.410 0.000 2.442 108 Y HA 0.297 4.769 4.550 -0.130 0.000 0.344 108 Y C -2.123 173.606 175.900 -0.284 0.000 0.976 108 Y CA -0.843 57.087 58.100 -0.284 0.000 1.040 108 Y CB 3.651 41.832 38.460 -0.466 0.000 1.228 108 Y HN 0.561 8.569 8.280 -0.454 0.000 0.451 109 E N 4.829 125.065 120.200 0.059 0.000 2.222 109 E HA 0.896 5.403 4.350 -0.048 -0.186 0.267 109 E C -1.289 175.399 176.600 0.147 0.000 0.884 109 E CA -1.593 54.823 56.400 0.027 0.000 0.764 109 E CB 3.015 32.718 29.700 0.004 0.000 1.169 109 E HN 0.286 8.744 8.360 0.163 0.000 0.413 110 T N 4.502 119.144 114.554 0.146 0.000 2.894 110 T HA 0.334 4.819 4.350 0.225 0.000 0.309 110 T C -0.925 173.919 174.700 0.241 0.000 1.208 110 T CA -1.461 60.786 62.100 0.246 0.000 1.016 110 T CB 1.517 70.633 68.868 0.414 0.000 1.192 110 T HN 0.563 8.841 8.240 0.064 0.000 0.491 111 T N 2.434 117.136 114.554 0.248 0.000 3.129 111 T HA 0.378 5.025 4.350 0.321 -0.105 0.267 111 T C -0.453 174.431 174.700 0.305 0.000 1.018 111 T CA -1.065 61.198 62.100 0.272 0.000 0.903 111 T CB 0.146 69.127 68.868 0.188 0.000 1.067 111 T HN 0.355 8.727 8.240 0.221 0.000 0.549 112 E N 1.723 122.121 120.200 0.329 0.000 2.320 112 E HA 0.229 4.715 4.350 0.227 0.000 0.264 112 E C -0.993 175.835 176.600 0.379 0.000 0.923 112 E CA -1.759 54.807 56.400 0.276 0.000 0.796 112 E CB 2.747 32.552 29.700 0.175 0.000 1.262 112 E HN -0.654 7.844 8.360 0.343 0.067 0.428 113 D N -0.417 120.135 120.400 0.252 0.000 2.368 113 D HA -0.209 4.682 4.640 0.418 0.000 0.240 113 D C -0.550 175.759 176.300 0.015 0.000 1.169 113 D CA 0.139 54.265 54.000 0.210 0.000 0.906 113 D CB 0.540 41.382 40.800 0.071 0.000 1.187 113 D HN 0.233 8.703 8.370 0.166 0.000 0.435 114 C N 2.121 121.190 119.300 -0.386 0.000 2.316 114 C HA 0.554 4.862 4.460 -0.253 0.000 0.324 114 C C -1.410 173.372 174.990 -0.346 0.000 1.226 114 C CA -3.636 55.067 59.018 -0.524 0.000 1.450 114 C CB 1.697 28.743 27.740 -1.157 0.000 2.123 114 C HN 0.124 8.032 8.230 -0.536 0.000 0.454 115 P HA 0.002 3.930 4.420 -0.820 0.000 0.221 115 P C -1.167 175.880 177.300 -0.421 0.000 1.155 115 P CA 0.991 63.822 63.100 -0.448 0.000 0.812 115 P CB 0.748 32.248 31.700 -0.333 0.000 0.801 116 S N -3.268 112.255 115.700 -0.293 0.000 2.789 116 S HA 0.419 4.868 4.470 -0.213 -0.107 0.286 116 S C -0.152 174.344 174.600 -0.172 0.000 1.153 116 S CA -1.101 56.967 58.200 -0.220 0.000 1.084 116 S CB 2.044 65.131 63.200 -0.188 0.000 1.036 116 S HN -0.622 7.525 8.310 -0.271 0.000 0.484 117 I N 7.224 127.733 120.570 -0.101 0.000 2.286 117 I HA -0.394 3.860 4.170 0.141 0.000 0.248 117 I C 1.381 177.504 176.117 0.009 0.000 1.115 117 I CA 4.576 65.904 61.300 0.047 0.000 1.392 117 I CB 0.455 38.518 38.000 0.105 0.000 1.065 117 I HN 0.867 9.010 8.210 -0.111 0.000 0.418 118 M N 0.020 119.608 119.600 -0.019 0.000 2.175 118 M HA -0.427 4.272 4.480 0.035 -0.198 0.264 118 M C 1.305 177.563 176.300 -0.070 0.000 1.063 118 M CA 4.246 59.543 55.300 -0.005 0.000 1.119 118 M CB -0.316 32.295 32.600 0.019 0.000 1.377 118 M HN -0.044 8.230 8.290 -0.027 0.000 0.415 119 E N -1.758 118.372 120.200 -0.116 0.000 2.107 119 E HA -0.292 4.036 4.350 -0.037 0.000 0.191 119 E C 1.352 177.756 176.600 -0.326 0.000 0.982 119 E CA 2.620 58.938 56.400 -0.136 0.000 0.809 119 E CB -0.500 29.122 29.700 -0.130 0.000 0.756 119 E HN -0.340 7.952 8.360 -0.113 0.000 0.459 120 Q N -2.249 117.267 119.800 -0.473 0.000 2.089 120 Q HA -0.189 3.744 4.340 -0.678 0.000 0.195 120 Q C 1.366 176.573 176.000 -1.322 0.000 0.963 120 Q CA 2.486 57.779 55.803 -0.850 0.000 0.834 120 Q CB 1.181 29.339 28.738 -0.967 0.000 0.906 120 Q HN -0.490 7.568 8.270 -0.353 0.000 0.452 121 F N -6.574 112.985 119.950 -0.653 0.000 2.682 121 F HA 0.080 3.997 4.527 -1.015 0.000 0.308 121 F C -0.990 174.446 175.800 -0.607 0.000 1.093 121 F CA 0.249 57.780 58.000 -0.783 0.000 1.244 121 F CB 1.509 40.211 39.000 -0.498 0.000 1.052 121 F HN -0.183 7.715 8.300 -0.485 0.110 0.573 122 H N -3.977 115.105 119.070 0.020 0.000 2.862 122 H HA -0.346 4.360 4.556 0.020 -0.138 0.290 122 H C -1.430 173.961 175.328 0.104 0.000 1.211 122 H CA 0.763 56.838 56.048 0.045 0.000 1.140 122 H CB -3.535 26.251 29.762 0.039 0.000 1.341 122 H HN -0.177 7.662 8.280 -0.588 0.088 0.392 123 L N -2.143 119.181 121.223 0.168 0.000 2.329 123 L HA 0.306 4.763 4.340 0.195 0.000 0.279 123 L C 0.350 177.304 176.870 0.140 0.000 1.014 123 L CA -1.468 53.481 54.840 0.181 0.000 0.814 123 L CB 1.305 43.485 42.059 0.201 0.000 1.257 123 L HN -0.948 7.337 8.230 0.118 0.016 0.424 124 R N 0.024 120.608 120.500 0.140 0.000 2.223 124 R HA -0.047 4.343 4.340 0.084 0.000 0.198 124 R C -0.311 176.050 176.300 0.101 0.000 0.984 124 R CA 0.786 56.950 56.100 0.107 0.000 1.018 124 R CB 0.691 31.052 30.300 0.103 0.000 0.945 124 R HN 0.468 8.834 8.270 0.160 0.000 0.479 125 E N -3.254 117.028 120.200 0.137 0.000 2.433 125 E HA 0.178 4.547 4.350 0.031 0.000 0.278 125 E C -1.642 175.018 176.600 0.100 0.000 0.976 125 E CA -1.457 54.982 56.400 0.065 0.000 0.793 125 E CB 3.983 33.681 29.700 -0.003 0.000 1.311 125 E HN -0.750 7.724 8.360 0.190 0.000 0.460 126 I N -0.877 119.694 120.570 0.002 0.000 2.466 126 I HA 0.260 4.656 4.170 0.375 0.000 0.289 126 I C -1.767 174.496 176.117 0.243 0.000 1.026 126 I CA -2.462 58.978 61.300 0.232 0.000 1.078 126 I CB 1.063 39.208 38.000 0.242 0.000 1.249 126 I HN 0.078 8.252 8.210 -0.060 0.000 0.429 127 H N 4.160 123.429 119.070 0.332 0.000 2.740 127 H HA 0.301 4.943 4.556 0.143 0.000 0.265 127 H C -0.978 174.326 175.328 -0.041 0.000 0.978 127 H CA -0.859 55.273 56.048 0.140 0.000 1.198 127 H CB 1.746 31.529 29.762 0.035 0.000 1.467 127 H HN 0.218 8.975 8.280 0.795 0.000 0.511 128 S N -3.564 112.301 115.700 0.276 0.000 2.552 128 S HA 0.421 4.968 4.470 -0.055 -0.110 0.272 128 S C -2.424 172.462 174.600 0.477 0.000 1.150 128 S CA -0.250 58.020 58.200 0.117 0.000 0.849 128 S CB 1.608 64.635 63.200 -0.289 0.000 1.113 128 S HN -0.803 7.783 8.310 0.459 0.000 0.458 129 C N -0.402 119.238 119.300 0.568 0.000 3.292 129 C HA 0.469 5.416 4.460 0.689 -0.073 0.368 129 C C -2.833 172.416 174.990 0.431 0.000 1.141 129 C CA -1.294 58.054 59.018 0.550 0.000 1.194 129 C CB 3.394 31.386 27.740 0.420 0.000 1.533 129 C HN 0.723 9.277 8.230 0.540 0.000 0.532 130 K N 2.660 123.205 120.400 0.242 0.000 2.449 130 K HA 0.379 4.766 4.320 0.113 0.000 0.257 130 K C -0.957 175.611 176.600 -0.053 0.000 0.989 130 K CA -1.298 55.021 56.287 0.054 0.000 0.916 130 K CB 1.240 33.665 32.500 -0.125 0.000 1.136 130 K HN 0.561 8.979 8.250 0.281 0.000 0.439 131 V N 1.365 121.224 119.914 -0.092 0.000 2.459 131 V HA 0.478 4.391 4.120 -0.345 0.000 0.295 131 V C -2.267 173.789 176.094 -0.063 0.000 1.029 131 V CA -2.604 59.526 62.300 -0.282 0.000 0.874 131 V CB 1.957 33.373 31.823 -0.678 0.000 0.985 131 V HN -0.352 7.853 8.190 0.025 0.000 0.438 132 V N 7.590 127.512 119.914 0.013 0.000 2.327 132 V HA 0.203 4.380 4.120 0.095 0.000 0.272 132 V C -1.544 174.672 176.094 0.204 0.000 1.019 132 V CA -0.257 62.100 62.300 0.095 0.000 0.814 132 V CB -0.282 31.569 31.823 0.048 0.000 1.040 132 V HN -0.033 8.157 8.190 0.000 0.000 0.440 133 E N 7.369 127.744 120.200 0.293 0.000 3.777 133 E HA 0.050 4.533 4.350 0.221 0.000 0.247 133 E C -1.103 175.624 176.600 0.211 0.000 1.256 133 E CA 0.264 56.850 56.400 0.311 0.000 1.786 133 E CB 2.548 32.582 29.700 0.556 0.000 1.722 133 E HN 0.255 8.781 8.360 0.277 0.000 0.810 134 G N -2.960 105.998 108.800 0.262 0.000 3.514 134 G HA2 -0.088 4.032 3.960 0.157 0.000 0.197 134 G HA3 -0.088 3.941 3.960 0.115 0.000 0.197 134 G C -1.500 173.499 174.900 0.165 0.000 1.098 134 G CA -0.179 45.022 45.100 0.167 0.000 0.884 134 G HN -0.200 8.346 8.290 0.426 0.000 0.433 135 T N 0.976 115.599 114.554 0.115 0.000 2.934 135 T HA 0.473 4.879 4.350 0.093 0.000 0.328 135 T C -2.032 172.634 174.700 -0.057 0.000 1.068 135 T CA -1.353 60.771 62.100 0.041 0.000 1.018 135 T CB 1.317 70.161 68.868 -0.039 0.000 1.009 135 T HN 0.105 9.005 8.240 0.075 -0.615 0.471 136 W N 5.934 127.258 121.300 0.040 0.000 2.819 136 W HA 0.452 5.292 4.660 0.127 -0.103 0.337 136 W C -1.805 174.746 176.519 0.055 0.000 1.077 136 W CA -1.082 56.309 57.345 0.077 0.000 1.226 136 W CB 4.526 34.015 29.460 0.049 0.000 1.419 136 W HN 0.457 8.801 8.180 0.274 0.000 0.502 137 I N 0.503 121.296 120.570 0.371 0.000 2.433 137 I HA 0.655 5.001 4.170 0.018 -0.164 0.292 137 I C -1.492 174.783 176.117 0.263 0.000 1.001 137 I CA -1.113 60.260 61.300 0.122 0.000 1.119 137 I CB 2.846 40.829 38.000 -0.028 0.000 1.289 137 I HN 0.827 9.317 8.210 0.468 0.000 0.438 138 F N 5.624 125.383 119.950 -0.318 0.000 2.480 138 F HA 0.626 5.363 4.527 0.136 -0.129 0.329 138 F C -0.923 174.600 175.800 -0.463 0.000 1.091 138 F CA -3.458 54.437 58.000 -0.176 0.000 0.972 138 F CB 3.255 42.143 39.000 -0.187 0.000 1.150 138 F HN 0.696 8.985 8.300 -0.019 0.000 0.467 139 Y N 0.171 120.586 120.300 0.190 0.000 2.446 139 Y HA 0.443 5.147 4.550 -0.003 -0.155 0.345 139 Y C 0.308 176.253 175.900 0.074 0.000 0.984 139 Y CA -1.740 56.411 58.100 0.085 0.000 1.058 139 Y CB 2.747 41.271 38.460 0.107 0.000 1.220 139 Y HN 1.084 9.467 8.280 0.349 0.106 0.455 140 E N 2.872 123.194 120.200 0.203 0.000 2.152 140 E HA -0.101 4.372 4.350 0.205 0.000 0.192 140 E C -0.174 176.492 176.600 0.110 0.000 0.983 140 E CA 1.708 58.218 56.400 0.184 0.000 0.818 140 E CB 1.083 30.895 29.700 0.187 0.000 0.758 140 E HN 0.230 8.661 8.360 0.117 0.000 0.467 141 L N -1.336 119.942 121.223 0.092 0.000 2.319 141 L HA 0.553 4.902 4.340 0.016 0.000 0.267 141 L C -2.277 174.566 176.870 -0.045 0.000 1.011 141 L CA -3.201 51.652 54.840 0.021 0.000 0.818 141 L CB 1.749 43.816 42.059 0.015 0.000 1.316 141 L HN -0.303 8.004 8.230 0.128 0.000 0.432 142 P HA -0.081 4.291 4.420 -0.251 -0.102 0.271 142 P C 0.058 177.146 177.300 -0.352 0.000 1.238 142 P CA 0.331 63.296 63.100 -0.225 0.000 0.794 142 P CB 0.490 32.081 31.700 -0.182 0.000 0.959 143 N N -1.056 117.268 118.700 -0.626 0.000 2.725 143 N HA -0.464 3.548 4.740 -1.212 0.000 0.249 143 N C -1.385 173.618 175.510 -0.846 0.000 1.103 143 N CA 0.904 53.448 53.050 -0.843 0.000 0.707 143 N CB -0.757 37.501 38.487 -0.382 0.000 1.043 143 N HN -0.007 7.988 8.380 -0.642 0.000 0.553 144 Y N -10.727 109.343 120.300 -0.383 0.000 3.125 144 Y HA -0.372 3.442 4.550 -1.227 0.000 0.200 144 Y C -1.054 174.636 175.900 -0.350 0.000 1.373 144 Y CA 0.676 58.290 58.100 -0.811 0.000 1.180 144 Y CB -3.386 34.477 38.460 -0.995 0.000 1.381 144 Y HN -0.792 6.848 8.280 -1.025 0.025 0.501 145 R N -2.031 118.439 120.500 -0.049 0.000 2.919 145 R HA 0.306 4.690 4.340 0.073 0.000 0.260 145 R C -0.308 176.060 176.300 0.113 0.000 1.067 145 R CA -1.904 54.221 56.100 0.042 0.000 1.003 145 R CB 2.745 33.031 30.300 -0.023 0.000 1.192 145 R HN -0.561 7.658 8.270 -0.084 0.000 0.488 146 G N -0.164 108.698 108.800 0.103 0.000 2.660 146 G HA2 -0.325 3.678 3.960 0.071 0.000 0.215 146 G HA3 -0.325 3.685 3.960 0.083 0.000 0.215 146 G C -1.981 172.960 174.900 0.068 0.000 1.345 146 G CA -0.389 44.764 45.100 0.088 0.000 0.877 146 G HN 0.149 8.492 8.290 0.089 0.000 0.549 147 R N 2.979 123.468 120.500 -0.019 0.000 2.590 147 R HA -0.141 4.017 4.340 -0.304 0.000 0.274 147 R C -0.946 175.022 176.300 -0.555 0.000 1.061 147 R CA 0.938 56.884 56.100 -0.257 0.000 1.081 147 R CB 0.682 30.879 30.300 -0.172 0.000 0.984 147 R HN 0.113 8.404 8.270 0.036 0.000 0.448 148 Q N 3.373 122.732 119.800 -0.734 0.000 2.306 148 Q HA 0.856 4.936 4.340 -0.740 -0.184 0.265 148 Q C -0.703 174.709 176.000 -0.980 0.000 1.022 148 Q CA -1.606 53.731 55.803 -0.776 0.000 0.853 148 Q CB 3.314 31.793 28.738 -0.432 0.000 1.327 148 Q HN -0.013 7.807 8.270 -0.750 0.000 0.449 149 Y N -1.424 118.737 120.300 -0.233 0.000 2.376 149 Y HA 0.162 4.653 4.550 -0.099 0.000 0.340 149 Y C -1.191 174.610 175.900 -0.165 0.000 0.965 149 Y CA -1.647 56.356 58.100 -0.161 0.000 1.078 149 Y CB 2.862 41.204 38.460 -0.197 0.000 1.193 149 Y HN 0.927 8.827 8.280 -0.452 0.109 0.452 150 L N 3.871 125.124 121.223 0.050 0.000 2.264 150 L HA 0.547 5.038 4.340 0.003 -0.150 0.289 150 L C -1.126 175.759 176.870 0.025 0.000 1.044 150 L CA -0.618 54.239 54.840 0.028 0.000 0.807 150 L CB 1.121 43.215 42.059 0.059 0.000 1.192 150 L HN 0.478 8.775 8.230 0.112 0.000 0.425 151 L N 7.789 128.988 121.223 -0.041 0.000 2.343 151 L HA 0.315 4.638 4.340 -0.028 0.000 0.275 151 L C -0.633 176.359 176.870 0.203 0.000 1.056 151 L CA -0.817 53.984 54.840 -0.066 0.000 0.804 151 L CB 2.336 44.112 42.059 -0.472 0.000 1.203 151 L HN 0.846 8.963 8.230 -0.011 0.106 0.440 152 D N 0.757 121.369 120.400 0.354 0.000 2.569 152 D HA 0.471 5.488 4.640 0.222 -0.244 0.266 152 D C 0.739 177.189 176.300 0.249 0.000 1.164 152 D CA -1.782 52.371 54.000 0.255 0.000 1.071 152 D CB 2.573 43.482 40.800 0.181 0.000 1.183 152 D HN 0.621 9.368 8.370 0.628 0.000 0.613 153 K N -2.162 118.343 120.400 0.174 0.000 3.077 153 K HA -0.099 4.475 4.320 0.168 -0.153 0.269 153 K C -0.334 176.304 176.600 0.064 0.000 0.973 153 K CA 0.731 57.099 56.287 0.135 0.000 1.162 153 K CB -1.830 30.734 32.500 0.106 0.000 1.079 153 K HN 0.227 8.565 8.250 0.148 0.000 0.456 154 K N 0.135 120.567 120.400 0.054 0.000 2.303 154 K HA 0.159 4.434 4.320 -0.076 0.000 0.233 154 K C -1.552 174.987 176.600 -0.102 0.000 1.046 154 K CA -1.558 54.675 56.287 -0.091 0.000 0.895 154 K CB 2.772 35.129 32.500 -0.238 0.000 1.220 154 K HN -0.079 8.107 8.250 0.148 0.153 0.470 155 E N -0.933 119.163 120.200 -0.172 0.000 2.151 155 E HA 0.245 4.662 4.350 0.112 0.000 0.275 155 E C -0.652 175.915 176.600 -0.054 0.000 0.936 155 E CA -0.890 55.501 56.400 -0.015 0.000 0.777 155 E CB 0.954 30.612 29.700 -0.069 0.000 1.108 155 E HN 0.064 8.307 8.360 -0.195 0.000 0.401 156 Y N 4.817 125.222 120.300 0.175 0.000 2.404 156 Y HA 0.186 4.867 4.550 -0.055 -0.164 0.344 156 Y C 0.468 176.283 175.900 -0.143 0.000 0.970 156 Y CA -0.314 57.786 58.100 -0.000 0.000 1.180 156 Y CB 0.126 38.571 38.460 -0.025 0.000 1.138 156 Y HN 0.204 8.860 8.280 0.626 0.000 0.510 157 R N 1.962 122.318 120.500 -0.240 0.000 2.173 157 R HA 0.011 3.455 4.340 -1.492 0.000 0.208 157 R C -0.619 175.351 176.300 -0.550 0.000 1.035 157 R CA 1.164 56.834 56.100 -0.717 0.000 1.004 157 R CB 1.062 31.044 30.300 -0.530 0.000 0.917 157 R HN 0.184 8.344 8.270 -0.183 0.000 0.462 158 K N -2.905 117.235 120.400 -0.433 0.000 2.328 158 K HA 0.629 4.731 4.320 -0.363 0.000 0.246 158 K C -1.231 174.947 176.600 -0.702 0.000 0.955 158 K CA -3.988 52.044 56.287 -0.424 0.000 0.817 158 K CB 2.871 35.190 32.500 -0.302 0.000 1.208 158 K HN -0.607 7.418 8.250 -0.374 0.000 0.432 159 P HA -0.146 2.830 4.420 -2.407 0.000 0.216 159 P C 0.803 177.473 177.300 -1.051 0.000 1.153 159 P CA 2.341 64.760 63.100 -1.135 0.000 0.848 159 P CB 0.008 31.541 31.700 -0.278 0.000 0.787 160 V N -2.431 117.193 119.914 -0.482 0.000 2.867 160 V HA -0.203 4.057 4.120 -0.170 -0.242 0.260 160 V C 2.229 178.160 176.094 -0.272 0.000 1.099 160 V CA 2.625 64.764 62.300 -0.269 0.000 1.122 160 V CB -0.596 31.140 31.823 -0.145 0.000 0.708 160 V HN -0.122 7.850 8.190 -0.363 0.000 0.490 161 D N 1.232 121.398 120.400 -0.390 0.000 2.310 161 D HA -0.225 4.363 4.640 -0.088 0.000 0.212 161 D C 0.405 176.778 176.300 0.121 0.000 0.965 161 D CA 2.681 56.593 54.000 -0.146 0.000 0.879 161 D CB 0.080 40.788 40.800 -0.153 0.000 0.921 161 D HN -0.286 7.581 8.370 -0.544 0.176 0.510 162 W N -5.231 116.125 121.300 0.094 0.000 3.223 162 W HA 0.164 4.911 4.660 0.146 0.000 0.389 162 W C -0.154 176.330 176.519 -0.057 0.000 1.118 162 W CA -2.904 54.407 57.345 -0.056 0.000 1.902 162 W CB -1.049 28.131 29.460 -0.467 0.000 1.094 162 W HN -0.658 6.991 8.180 -0.814 0.043 0.666 163 G N -1.878 107.072 108.800 0.250 0.000 2.141 163 G HA2 -0.447 3.617 3.960 0.172 0.000 0.242 163 G HA3 -0.447 3.692 3.960 0.298 0.000 0.242 163 G C -1.157 173.850 174.900 0.180 0.000 0.982 163 G CA -0.030 45.207 45.100 0.229 0.000 0.662 163 G HN -0.376 7.810 8.290 0.127 0.180 0.527 164 A N -0.509 122.384 122.820 0.121 0.000 2.312 164 A HA 0.330 4.638 4.320 -0.019 0.000 0.326 164 A C -0.823 176.795 177.584 0.057 0.000 1.172 164 A CA -1.340 50.671 52.037 -0.043 0.000 0.821 164 A CB 1.625 20.491 19.000 -0.223 0.000 1.166 164 A HN -0.925 7.359 8.150 0.301 0.047 0.493 165 A N 0.838 123.702 122.820 0.074 0.000 2.208 165 A HA -0.002 4.342 4.320 0.040 0.000 0.209 165 A C -0.840 176.777 177.584 0.055 0.000 1.161 165 A CA 1.327 53.399 52.037 0.058 0.000 0.782 165 A CB -0.142 18.897 19.000 0.065 0.000 0.816 165 A HN 0.608 8.820 8.150 0.103 0.000 0.477 166 S N -3.586 112.157 115.700 0.072 0.000 2.564 166 S HA 0.342 4.844 4.470 0.054 0.000 0.274 166 S C -2.042 172.615 174.600 0.095 0.000 1.124 166 S CA -2.973 55.269 58.200 0.070 0.000 0.869 166 S CB 1.544 64.788 63.200 0.074 0.000 1.105 166 S HN -0.727 7.566 8.310 0.078 0.064 0.472 167 P HA 0.116 4.675 4.420 0.232 0.000 0.258 167 P C -2.017 175.293 177.300 0.017 0.000 1.319 167 P CA -0.226 62.898 63.100 0.039 0.000 0.785 167 P CB -0.847 30.716 31.700 -0.228 0.000 1.252 168 A N -0.660 122.188 122.820 0.046 0.000 2.347 168 A HA 0.130 4.464 4.320 0.022 0.000 0.287 168 A C -1.247 176.360 177.584 0.037 0.000 1.199 168 A CA -0.368 51.694 52.037 0.041 0.000 0.851 168 A CB 0.950 19.990 19.000 0.066 0.000 1.118 168 A HN -0.775 7.289 8.150 0.066 0.126 0.525 169 I N 3.391 123.965 120.570 0.005 0.000 2.586 169 I HA 0.020 4.218 4.170 0.046 0.000 0.288 169 I C -1.123 174.980 176.117 -0.022 0.000 1.147 169 I CA 0.226 61.510 61.300 -0.028 0.000 1.047 169 I CB 3.798 41.686 38.000 -0.187 0.000 1.244 169 I HN 0.175 8.389 8.210 0.007 0.000 0.429 170 Q N 4.305 124.106 119.800 0.002 0.000 2.280 170 Q HA 0.314 4.645 4.340 -0.015 0.000 0.228 170 Q C -0.508 175.453 176.000 -0.065 0.000 0.857 170 Q CA -0.651 55.139 55.803 -0.022 0.000 0.939 170 Q CB 2.811 31.536 28.738 -0.022 0.000 1.114 170 Q HN 0.195 8.491 8.270 0.043 0.000 0.514 171 S N -2.450 113.233 115.700 -0.028 0.000 2.588 171 S HA 0.512 4.887 4.470 -0.271 -0.067 0.269 171 S C -2.493 172.199 174.600 0.154 0.000 1.157 171 S CA -0.451 57.702 58.200 -0.079 0.000 0.824 171 S CB 2.965 66.073 63.200 -0.153 0.000 1.126 171 S HN -0.480 7.852 8.310 0.036 0.000 0.464 172 F N -4.495 115.607 119.950 0.252 0.000 2.654 172 F HA 1.022 6.047 4.527 0.566 -0.159 0.308 172 F C -2.511 173.589 175.800 0.501 0.000 1.108 172 F CA -1.394 56.814 58.000 0.347 0.000 0.957 172 F CB 3.367 42.275 39.000 -0.154 0.000 1.309 172 F HN 0.415 8.390 8.300 -0.542 0.000 0.446 173 R N -0.595 120.397 120.500 0.820 0.000 2.698 173 R HA 0.481 5.044 4.340 0.372 0.000 0.275 173 R C -1.743 174.677 176.300 0.200 0.000 1.001 173 R CA -1.295 55.045 56.100 0.400 0.000 0.896 173 R CB 5.137 35.453 30.300 0.026 0.000 1.218 173 R HN 0.654 9.469 8.270 0.908 0.000 0.462 174 R N 0.917 121.269 120.500 -0.246 0.000 2.410 174 R HA 0.136 3.584 4.340 -1.487 0.000 0.288 174 R C -0.707 175.327 176.300 -0.445 0.000 1.051 174 R CA -0.406 55.138 56.100 -0.927 0.000 1.021 174 R CB 0.707 30.339 30.300 -1.112 0.000 1.032 174 R HN 0.265 8.471 8.270 -0.106 0.000 0.481 175 I N 3.401 123.718 120.570 -0.422 0.000 2.342 175 I HA -0.009 4.077 4.170 -0.141 0.000 0.291 175 I C -0.711 175.296 176.117 -0.184 0.000 1.010 175 I CA -0.076 61.102 61.300 -0.203 0.000 1.308 175 I CB 0.373 38.297 38.000 -0.126 0.000 1.400 175 I HN -0.170 7.676 8.210 -0.607 0.000 0.488 176 V N 2.475 122.317 119.914 -0.120 0.000 2.925 176 V HA 0.431 4.497 4.120 -0.089 0.000 0.311 176 V C -1.670 174.394 176.094 -0.050 0.000 1.104 176 V CA -2.074 60.174 62.300 -0.088 0.000 0.954 176 V CB 2.392 34.163 31.823 -0.085 0.000 1.022 176 V HN 0.083 8.213 8.190 -0.099 0.000 0.427 177 E N 0.000 120.179 120.200 -0.036 0.000 2.725 177 E HA 0.000 4.341 4.350 -0.016 0.000 0.291 177 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 177 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 177 E HN 0.000 8.337 8.360 -0.038 0.000 0.440