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 2fej_1_A DATA FIRST_RESID 94 DATA SEQUENCE SSSVPSQKTY QGSYGFRLGF LHSGTAKSVT CTYSPALNKM FCQLAKTCPV DATA SEQUENCE QLWVDSTPPP GTRVRAMAIY KQSQHMTEVV RRCPHHERCS DSDGLAPPQH DATA SEQUENCE LIRVEGNLRV EYLDDRNTFR HSVVVPYEPP EVGSDCTTIH YNYMCNSSCM DATA SEQUENCE GGMNRRPILT IITLEDSSGN LLGRNSFEVR VCACPGRDRR TEEENLRKKG DATA SEQUENCE EPHH 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 94 S HA 0.000 4.483 4.470 0.021 0.000 0.327 94 S C 0.000 174.614 174.600 0.023 0.000 1.055 94 S CA 0.000 58.214 58.200 0.024 0.000 1.107 94 S CB 0.000 63.218 63.200 0.030 0.000 0.593 95 S N 2.306 118.018 115.700 0.020 0.000 2.527 95 S HA 0.275 4.757 4.470 0.019 0.000 0.227 95 S C 0.900 175.512 174.600 0.020 0.000 1.059 95 S CA 0.238 58.450 58.200 0.019 0.000 0.919 95 S CB 0.406 63.615 63.200 0.015 0.000 0.805 95 S HN 0.386 8.707 8.310 0.019 0.000 0.500 96 S N 1.763 117.475 115.700 0.021 0.000 2.343 96 S HA -0.118 4.364 4.470 0.019 0.000 0.212 96 S C -0.514 174.102 174.600 0.026 0.000 1.033 96 S CA 1.069 59.282 58.200 0.022 0.000 1.004 96 S CB 0.164 63.377 63.200 0.021 0.000 0.977 96 S HN -0.246 8.076 8.310 0.020 0.000 0.427 97 V N -0.676 119.257 119.914 0.032 0.000 2.743 97 V HA 0.400 4.541 4.120 0.035 0.000 0.301 97 V C -2.035 174.082 176.094 0.039 0.000 1.057 97 V CA -3.743 58.580 62.300 0.037 0.000 1.006 97 V CB -0.146 31.704 31.823 0.045 0.000 1.024 97 V HN -0.669 7.541 8.190 0.032 0.000 0.473 98 P HA -0.017 4.427 4.420 0.041 0.000 0.271 98 P C -0.877 176.454 177.300 0.051 0.000 1.233 98 P CA 0.159 63.286 63.100 0.045 0.000 0.795 98 P CB 0.570 32.299 31.700 0.048 0.000 0.936 99 S N -0.806 114.927 115.700 0.055 0.000 2.593 99 S HA -0.053 4.447 4.470 0.050 0.000 0.269 99 S C 0.039 174.682 174.600 0.072 0.000 1.334 99 S CA 0.502 58.737 58.200 0.057 0.000 1.015 99 S CB 0.964 64.196 63.200 0.054 0.000 0.912 99 S HN 0.056 8.398 8.310 0.055 0.000 0.541 100 Q N -0.127 119.715 119.800 0.070 0.000 2.211 100 Q HA 0.183 4.579 4.340 0.093 0.000 0.301 100 Q C -1.248 174.808 176.000 0.093 0.000 0.884 100 Q CA -1.030 54.823 55.803 0.082 0.000 1.115 100 Q CB -0.077 28.703 28.738 0.069 0.000 1.217 100 Q HN 0.293 8.599 8.270 0.060 0.000 0.451 101 K N -0.433 120.024 120.400 0.095 0.000 2.276 101 K HA 0.126 4.496 4.320 0.083 0.000 0.283 101 K C 0.237 176.920 176.600 0.140 0.000 1.044 101 K CA -0.703 55.639 56.287 0.092 0.000 0.944 101 K CB 0.110 32.643 32.500 0.055 0.000 1.012 101 K HN -0.517 7.714 8.250 0.091 0.074 0.472 102 T N 2.548 117.188 114.554 0.143 0.000 2.926 102 T HA -0.142 4.489 4.350 0.248 -0.133 0.307 102 T C -0.299 174.531 174.700 0.217 0.000 1.059 102 T CA 0.076 62.297 62.100 0.202 0.000 1.122 102 T CB 0.849 69.820 68.868 0.173 0.000 0.972 102 T HN -0.030 8.279 8.240 0.115 0.000 0.545 103 Y N 6.215 126.596 120.300 0.135 0.000 2.256 103 Y HA -0.162 4.444 4.550 0.093 0.000 0.267 103 Y C -0.668 175.319 175.900 0.145 0.000 1.069 103 Y CA 2.094 60.269 58.100 0.124 0.000 1.070 103 Y CB 0.737 39.263 38.460 0.110 0.000 1.020 103 Y HN 0.690 9.120 8.280 0.457 0.125 0.476 104 Q N -4.468 115.579 119.800 0.411 0.000 2.411 104 Q HA -0.385 4.366 4.340 0.388 -0.178 0.305 104 Q C -0.514 175.618 176.000 0.221 0.000 1.273 104 Q CA 0.944 56.930 55.803 0.306 0.000 0.895 104 Q CB -2.565 26.288 28.738 0.192 0.000 1.198 104 Q HN 0.199 8.793 8.270 0.540 0.000 0.470 105 G N 0.327 109.281 108.800 0.257 0.000 2.992 105 G HA2 0.001 4.021 3.960 0.101 0.000 0.201 105 G HA3 0.001 4.029 3.960 0.113 0.000 0.201 105 G C 0.885 175.911 174.900 0.209 0.000 2.057 105 G CA 0.296 45.495 45.100 0.165 0.000 0.800 105 G HN 0.185 8.692 8.290 0.378 0.009 0.700 106 S N 1.011 116.864 115.700 0.255 0.000 2.440 106 S HA -0.230 4.300 4.470 0.100 0.000 0.240 106 S C 0.191 174.886 174.600 0.158 0.000 1.014 106 S CA 2.161 60.485 58.200 0.206 0.000 0.980 106 S CB 0.033 63.390 63.200 0.261 0.000 0.775 106 S HN 0.176 8.646 8.310 0.267 0.000 0.499 107 Y N -4.185 116.199 120.300 0.139 0.000 2.444 107 Y HA 0.062 4.685 4.550 0.121 0.000 0.249 107 Y C -0.010 176.009 175.900 0.199 0.000 1.134 107 Y CA -1.591 56.599 58.100 0.151 0.000 1.261 107 Y CB 0.482 39.021 38.460 0.131 0.000 1.143 107 Y HN -0.467 8.125 8.280 0.593 0.043 0.523 108 G N -0.420 108.576 108.800 0.327 0.000 2.402 108 G HA2 -0.498 3.676 3.960 0.221 0.000 0.300 108 G HA3 -0.498 3.644 3.960 0.171 -0.079 0.300 108 G C -0.871 174.208 174.900 0.299 0.000 0.987 108 G CA 0.942 46.190 45.100 0.247 0.000 0.881 108 G HN -0.442 7.950 8.290 0.321 0.091 0.512 109 F N -0.990 119.084 119.950 0.207 0.000 2.412 109 F HA 0.049 4.734 4.527 0.206 -0.035 0.348 109 F C -1.796 174.095 175.800 0.152 0.000 1.102 109 F CA -1.090 57.026 58.000 0.194 0.000 1.196 109 F CB 1.169 40.288 39.000 0.199 0.000 1.144 109 F HN -0.616 8.006 8.300 0.594 0.035 0.541 110 R N 4.264 124.447 120.500 -0.528 0.000 2.831 110 R HA 0.316 4.456 4.340 -0.548 -0.129 0.266 110 R C -2.268 173.667 176.300 -0.609 0.000 1.051 110 R CA -1.924 53.851 56.100 -0.541 0.000 0.943 110 R CB 5.089 35.249 30.300 -0.233 0.000 1.228 110 R HN 0.157 8.149 8.270 -0.305 0.095 0.467 111 L N -0.480 120.454 121.223 -0.482 0.000 2.272 111 L HA 0.872 5.224 4.340 -0.366 -0.232 0.289 111 L C 0.079 176.450 176.870 -0.831 0.000 1.032 111 L CA -1.153 53.394 54.840 -0.487 0.000 0.810 111 L CB 0.934 42.788 42.059 -0.343 0.000 1.205 111 L HN 0.348 8.341 8.230 -0.394 0.000 0.422 112 G N 2.684 111.209 108.800 -0.459 0.000 2.384 112 G HA2 0.370 3.784 3.960 -0.911 0.000 0.316 112 G HA3 0.370 4.336 3.960 0.010 0.000 0.316 112 G C -1.827 172.766 174.900 -0.512 0.000 1.160 112 G CA -1.052 43.734 45.100 -0.522 0.000 0.936 112 G HN 0.752 8.854 8.290 -0.106 0.124 0.455 113 F N 3.476 123.257 119.950 -0.281 0.000 2.426 113 F HA 0.441 5.018 4.527 -0.126 -0.126 0.348 113 F C -0.021 175.786 175.800 0.011 0.000 1.124 113 F CA -2.555 55.293 58.000 -0.253 0.000 1.008 113 F CB 1.322 39.991 39.000 -0.551 0.000 1.139 113 F HN -0.207 7.227 8.300 -1.443 0.000 0.452 114 L N 0.144 121.513 121.223 0.243 0.000 2.584 114 L HA -0.028 4.461 4.340 0.247 0.000 0.272 114 L C -1.076 176.009 176.870 0.358 0.000 1.195 114 L CA 0.707 55.702 54.840 0.258 0.000 0.920 114 L CB -0.214 41.948 42.059 0.171 0.000 1.173 114 L HN -0.001 8.350 8.230 0.201 0.000 0.489 115 H N 5.878 125.126 119.070 0.298 0.000 2.616 115 H HA 0.305 5.021 4.556 0.267 0.000 0.353 115 H C -0.885 174.516 175.328 0.122 0.000 1.170 115 H CA -1.150 55.045 56.048 0.245 0.000 1.212 115 H CB 2.407 32.283 29.762 0.190 0.000 1.653 115 H HN -0.055 8.480 8.280 0.426 0.000 0.537 116 S N 2.214 117.654 115.700 -0.433 0.000 2.592 116 S HA 0.079 4.619 4.470 0.117 0.000 0.275 116 S C -0.906 173.551 174.600 -0.237 0.000 1.169 116 S CA -0.161 57.962 58.200 -0.127 0.000 0.958 116 S CB 2.159 65.326 63.200 -0.056 0.000 1.095 116 S HN 0.481 8.003 8.310 -1.314 0.000 0.471 117 G N 2.036 110.860 108.800 0.040 0.000 2.224 117 G HA2 -0.208 3.843 3.960 0.152 0.000 0.239 117 G HA3 -0.208 3.801 3.960 0.082 0.000 0.239 117 G C -0.785 174.106 174.900 -0.015 0.000 1.240 117 G CA 0.356 45.495 45.100 0.065 0.000 0.896 117 G HN 0.028 8.393 8.290 0.124 0.000 0.496 118 T N 1.688 116.233 114.554 -0.016 0.000 2.845 118 T HA -0.001 4.327 4.350 -0.037 0.000 0.288 118 T C -0.783 173.911 174.700 -0.011 0.000 0.980 118 T CA -0.228 61.857 62.100 -0.026 0.000 1.071 118 T CB 0.879 69.728 68.868 -0.032 0.000 0.941 118 T HN -0.290 7.957 8.240 0.013 0.000 0.487 119 A N 4.529 127.341 122.820 -0.013 0.000 2.140 119 A HA 0.159 4.476 4.320 -0.005 0.000 0.209 119 A C 0.676 178.253 177.584 -0.012 0.000 1.181 119 A CA 1.320 53.352 52.037 -0.008 0.000 0.824 119 A CB 0.438 19.435 19.000 -0.006 0.000 0.879 119 A HN 0.372 8.512 8.150 -0.016 0.000 0.480 120 K N -6.295 114.095 120.400 -0.016 0.000 2.256 120 K HA 0.066 4.374 4.320 -0.021 0.000 0.130 120 K C -1.657 174.930 176.600 -0.022 0.000 2.157 120 K CA 0.385 56.661 56.287 -0.018 0.000 1.240 120 K CB 0.620 33.112 32.500 -0.014 0.000 2.378 120 K HN -0.204 8.035 8.250 -0.018 0.000 0.491 121 S N -0.989 114.699 115.700 -0.020 0.000 2.545 121 S HA 0.173 4.628 4.470 -0.024 0.000 0.259 121 S C -1.886 172.704 174.600 -0.016 0.000 1.092 121 S CA 0.045 58.234 58.200 -0.019 0.000 1.054 121 S CB 2.006 65.197 63.200 -0.014 0.000 1.146 121 S HN -0.448 7.851 8.310 -0.018 0.000 0.447 122 V N 4.828 124.731 119.914 -0.019 0.000 3.096 122 V HA 0.363 4.473 4.120 -0.017 0.000 0.319 122 V C -0.585 175.507 176.094 -0.003 0.000 1.103 122 V CA -2.630 59.658 62.300 -0.020 0.000 1.016 122 V CB 3.519 35.315 31.823 -0.046 0.000 1.090 122 V HN 0.135 8.312 8.190 -0.022 0.000 0.449 123 T N 4.566 119.120 114.554 0.001 0.000 2.671 123 T HA -0.075 4.286 4.350 0.019 0.000 0.250 123 T C -0.474 174.247 174.700 0.036 0.000 1.068 123 T CA 2.392 64.503 62.100 0.017 0.000 1.177 123 T CB 0.349 69.226 68.868 0.014 0.000 0.876 123 T HN 0.048 8.284 8.240 -0.007 0.000 0.405 124 C N 3.906 123.229 119.300 0.038 0.000 2.251 124 C HA 0.346 4.997 4.460 0.083 -0.141 0.323 124 C C -1.378 173.658 174.990 0.077 0.000 1.241 124 C CA -1.359 57.704 59.018 0.074 0.000 1.601 124 C CB 1.546 29.342 27.740 0.093 0.000 2.251 124 C HN -0.231 8.013 8.230 0.024 0.000 0.488 125 T N 9.782 124.421 114.554 0.142 0.000 2.892 125 T HA 0.357 4.710 4.350 0.004 0.000 0.311 125 T C -1.952 172.970 174.700 0.371 0.000 1.033 125 T CA -0.882 61.323 62.100 0.175 0.000 0.991 125 T CB 0.811 69.768 68.868 0.149 0.000 0.981 125 T HN 0.447 8.790 8.240 0.173 0.000 0.457 126 Y N 4.310 124.790 120.300 0.300 0.000 2.364 126 Y HA 0.559 5.187 4.550 -0.093 -0.133 0.340 126 Y C -1.457 174.581 175.900 0.230 0.000 0.975 126 Y CA -2.791 55.387 58.100 0.129 0.000 1.089 126 Y CB 2.129 40.587 38.460 -0.004 0.000 1.192 126 Y HN 0.169 8.806 8.280 0.596 0.000 0.454 127 S N 4.825 120.518 115.700 -0.012 0.000 2.422 127 S HA 0.457 4.815 4.470 -0.187 0.000 0.283 127 S C -1.032 173.517 174.600 -0.085 0.000 1.163 127 S CA -3.012 55.141 58.200 -0.077 0.000 1.054 127 S CB 1.018 64.285 63.200 0.112 0.000 0.967 127 S HN 0.591 8.808 8.310 -0.004 0.091 0.499 128 P HA -0.085 4.553 4.420 0.364 0.000 0.216 128 P C -0.684 176.655 177.300 0.065 0.000 1.153 128 P CA 1.672 64.780 63.100 0.014 0.000 0.848 128 P CB 0.020 31.649 31.700 -0.118 0.000 0.787 129 A N -2.669 120.152 122.820 0.001 0.000 1.883 129 A HA -0.177 4.155 4.320 0.021 0.000 0.217 129 A C 1.103 178.717 177.584 0.049 0.000 1.186 129 A CA 2.513 54.563 52.037 0.021 0.000 0.624 129 A CB -0.649 18.353 19.000 0.004 0.000 0.822 129 A HN 0.338 8.457 8.150 -0.052 0.000 0.444 130 L N -3.836 117.422 121.223 0.058 0.000 2.607 130 L HA 0.063 4.436 4.340 0.056 0.000 0.228 130 L C -0.239 176.680 176.870 0.081 0.000 1.123 130 L CA -0.905 53.972 54.840 0.063 0.000 0.890 130 L CB 0.200 42.295 42.059 0.061 0.000 1.103 130 L HN -0.714 7.546 8.230 0.050 0.000 0.468 131 N N -1.224 117.561 118.700 0.142 0.000 2.735 131 N HA -0.447 4.548 4.740 0.391 -0.020 0.248 131 N C -1.715 173.869 175.510 0.122 0.000 1.083 131 N CA 1.165 54.352 53.050 0.228 0.000 0.703 131 N CB -1.323 37.286 38.487 0.204 0.000 1.005 131 N HN 0.079 8.357 8.380 0.142 0.187 0.550 132 K N -3.909 116.502 120.400 0.018 0.000 2.207 132 K HA 0.348 4.540 4.320 -0.214 0.000 0.255 132 K C -1.831 174.520 176.600 -0.415 0.000 0.941 132 K CA -1.510 54.630 56.287 -0.244 0.000 0.825 132 K CB 2.429 34.722 32.500 -0.345 0.000 1.119 132 K HN -0.397 7.878 8.250 0.059 0.010 0.430 133 M N 2.030 121.310 119.600 -0.533 0.000 2.364 133 M HA 0.177 4.498 4.480 -0.264 0.000 0.334 133 M C -2.222 173.700 176.300 -0.629 0.000 1.107 133 M CA -0.498 54.532 55.300 -0.450 0.000 0.988 133 M CB 3.597 36.033 32.600 -0.273 0.000 1.673 133 M HN 0.636 8.524 8.290 -0.486 0.111 0.441 134 F N 3.347 123.303 119.950 0.010 0.000 2.467 134 F HA 0.976 5.700 4.527 -0.043 -0.223 0.336 134 F C -0.371 175.417 175.800 -0.020 0.000 1.123 134 F CA -2.307 55.683 58.000 -0.016 0.000 0.964 134 F CB 2.338 41.339 39.000 0.002 0.000 1.136 134 F HN 0.360 8.535 8.300 -0.019 0.114 0.447 135 C N -1.812 117.565 119.300 0.128 0.000 3.318 135 C HA 0.714 5.395 4.460 0.079 -0.174 0.329 135 C C -1.783 173.242 174.990 0.058 0.000 1.449 135 C CA -3.074 55.983 59.018 0.064 0.000 1.397 135 C CB 3.702 31.443 27.740 0.002 0.000 1.810 135 C HN 1.003 9.208 8.230 0.129 0.103 0.449 136 Q N -1.796 118.032 119.800 0.047 0.000 2.205 136 Q HA 0.247 4.721 4.340 0.046 -0.107 0.249 136 Q C -0.190 175.841 176.000 0.052 0.000 0.948 136 Q CA -1.643 54.187 55.803 0.045 0.000 0.895 136 Q CB 2.246 31.007 28.738 0.038 0.000 1.249 136 Q HN 0.388 8.685 8.270 0.044 0.000 0.458 137 L N 1.808 123.065 121.223 0.057 0.000 2.628 137 L HA -0.382 4.007 4.340 0.082 0.000 0.274 137 L C 0.176 177.089 176.870 0.072 0.000 1.209 137 L CA 1.620 56.503 54.840 0.072 0.000 0.930 137 L CB -0.005 42.100 42.059 0.076 0.000 1.183 137 L HN 0.277 8.601 8.230 0.051 -0.064 0.492 138 A N 2.204 125.076 122.820 0.087 0.000 2.899 138 A HA -0.403 4.158 4.320 0.103 -0.179 0.257 138 A C -1.300 176.333 177.584 0.081 0.000 1.335 138 A CA 1.354 53.442 52.037 0.084 0.000 0.924 138 A CB -1.931 17.105 19.000 0.060 0.000 1.105 138 A HN 0.102 8.315 8.150 0.105 0.000 0.765 139 K N -0.973 119.473 120.400 0.078 0.000 2.185 139 K HA 0.023 4.374 4.320 0.052 0.000 0.271 139 K C 0.034 176.682 176.600 0.079 0.000 1.013 139 K CA -0.318 56.006 56.287 0.062 0.000 0.943 139 K CB 1.603 34.132 32.500 0.048 0.000 0.998 139 K HN -0.169 7.987 8.250 0.078 0.140 0.468 140 T N 4.607 119.196 114.554 0.058 0.000 2.867 140 T HA -0.218 4.347 4.350 0.100 -0.155 0.297 140 T C 0.152 174.899 174.700 0.078 0.000 0.989 140 T CA 1.705 63.842 62.100 0.061 0.000 1.159 140 T CB -0.008 68.852 68.868 -0.013 0.000 0.928 140 T HN 0.151 8.413 8.240 0.038 0.000 0.538 141 C N 8.114 127.500 119.300 0.142 0.000 2.357 141 C HA 0.468 4.989 4.460 0.101 0.000 0.300 141 C C -2.201 172.904 174.990 0.192 0.000 1.074 141 C CA -3.630 55.479 59.018 0.153 0.000 1.566 141 C CB -1.244 26.599 27.740 0.172 0.000 1.791 141 C HN 0.752 9.098 8.230 0.194 0.000 0.415 142 P HA -0.095 4.497 4.420 0.285 0.000 0.266 142 P C -1.926 175.479 177.300 0.176 0.000 1.215 142 P CA 0.095 63.307 63.100 0.187 0.000 0.763 142 P CB 0.077 31.858 31.700 0.135 0.000 0.806 143 V N 5.564 125.558 119.914 0.134 0.000 2.656 143 V HA 0.259 4.457 4.120 0.129 0.000 0.307 143 V C -1.442 174.620 176.094 -0.054 0.000 1.051 143 V CA -1.534 60.811 62.300 0.076 0.000 0.893 143 V CB 2.940 34.840 31.823 0.128 0.000 0.999 143 V HN 0.367 8.634 8.190 0.128 0.000 0.426 144 Q N 4.883 124.621 119.800 -0.103 0.000 2.333 144 Q HA 0.443 4.713 4.340 -0.323 -0.123 0.268 144 Q C -0.877 174.899 176.000 -0.373 0.000 1.007 144 Q CA -1.231 54.410 55.803 -0.270 0.000 0.810 144 Q CB 2.252 30.907 28.738 -0.139 0.000 1.264 144 Q HN 0.312 8.433 8.270 -0.096 0.091 0.452 145 L N 5.338 126.304 121.223 -0.428 0.000 2.282 145 L HA 0.127 4.305 4.340 -0.271 0.000 0.287 145 L C -1.328 175.335 176.870 -0.346 0.000 1.075 145 L CA 0.374 55.062 54.840 -0.255 0.000 0.839 145 L CB 0.426 42.510 42.059 0.042 0.000 1.219 145 L HN 0.967 8.828 8.230 -0.433 0.110 0.434 146 W N 5.831 127.017 121.300 -0.190 0.000 2.512 146 W HA 0.227 4.880 4.660 -0.012 0.000 0.335 146 W C -1.354 175.228 176.519 0.105 0.000 1.088 146 W CA -0.523 56.780 57.345 -0.069 0.000 1.236 146 W CB 1.780 31.154 29.460 -0.143 0.000 1.307 146 W HN 0.882 8.972 8.180 -0.149 0.000 0.567 147 V N -0.079 120.083 119.914 0.414 0.000 3.160 147 V HA 0.174 4.615 4.120 0.535 0.000 0.310 147 V C -0.977 175.290 176.094 0.289 0.000 1.181 147 V CA -2.230 60.327 62.300 0.429 0.000 1.047 147 V CB 3.169 35.252 31.823 0.433 0.000 1.068 147 V HN -0.011 8.401 8.190 0.370 0.000 0.441 148 D N -0.235 120.311 120.400 0.243 0.000 2.482 148 D HA 0.168 4.882 4.640 0.124 0.000 0.251 148 D C 0.146 176.478 176.300 0.053 0.000 1.073 148 D CA 0.760 54.838 54.000 0.130 0.000 0.892 148 D CB 1.917 42.779 40.800 0.104 0.000 1.202 148 D HN 0.642 9.196 8.370 0.307 0.000 0.496 149 S N -0.741 114.957 115.700 -0.003 0.000 2.768 149 S HA 0.315 4.721 4.470 -0.107 0.000 0.300 149 S C -0.985 173.580 174.600 -0.059 0.000 1.122 149 S CA -0.233 57.868 58.200 -0.166 0.000 0.995 149 S CB 1.377 64.240 63.200 -0.561 0.000 1.195 149 S HN -0.647 7.708 8.310 0.074 0.000 0.547 150 T N 4.948 119.448 114.554 -0.090 0.000 2.752 150 T HA 0.228 4.629 4.350 0.086 0.000 0.295 150 T C -2.164 172.666 174.700 0.216 0.000 0.923 150 T CA -0.750 61.382 62.100 0.052 0.000 1.112 150 T CB -0.201 68.682 68.868 0.026 0.000 0.884 150 T HN -0.063 8.073 8.240 -0.173 0.000 0.525 151 P HA 0.460 5.169 4.420 0.481 0.000 0.300 151 P C -2.548 174.922 177.300 0.283 0.000 1.326 151 P CA -2.930 60.410 63.100 0.400 0.000 0.844 151 P CB -0.102 31.921 31.700 0.538 0.000 0.992 152 P HA -0.037 4.416 4.420 0.055 0.000 0.259 152 P C -0.848 176.524 177.300 0.119 0.000 1.155 152 P CA -0.198 62.919 63.100 0.029 0.000 0.759 152 P CB -0.457 31.175 31.700 -0.114 0.000 0.753 153 P HA -0.189 4.336 4.420 0.174 0.000 0.218 153 P C -0.814 176.591 177.300 0.175 0.000 1.146 153 P CA 1.105 64.293 63.100 0.148 0.000 0.820 153 P CB 0.419 32.161 31.700 0.071 0.000 0.778 154 G N -5.160 103.688 108.800 0.079 0.000 4.959 154 G HA2 0.273 4.303 3.960 0.118 0.000 0.297 154 G HA3 0.273 4.238 3.960 0.009 0.000 0.297 154 G C -1.354 173.478 174.900 -0.114 0.000 1.351 154 G CA -1.062 44.060 45.100 0.038 0.000 1.016 154 G HN -0.169 8.094 8.290 0.027 0.043 0.592 155 T N 2.762 117.081 114.554 -0.392 0.000 2.918 155 T HA -0.167 3.959 4.350 -0.501 -0.076 0.302 155 T C -1.288 173.104 174.700 -0.513 0.000 1.045 155 T CA 1.791 63.410 62.100 -0.802 0.000 1.114 155 T CB 0.967 68.765 68.868 -1.783 0.000 0.965 155 T HN -0.532 7.538 8.240 -0.283 0.000 0.540 156 R N 4.453 124.741 120.500 -0.353 0.000 2.265 156 R HA 0.491 4.923 4.340 -0.100 -0.151 0.328 156 R C -1.195 175.005 176.300 -0.166 0.000 0.969 156 R CA -0.668 55.325 56.100 -0.178 0.000 0.832 156 R CB 1.672 31.894 30.300 -0.130 0.000 1.139 156 R HN 0.838 8.886 8.270 -0.371 0.000 0.457 157 V N 6.267 126.147 119.914 -0.058 0.000 2.347 157 V HA 0.881 5.232 4.120 -0.078 -0.279 0.280 157 V C -0.723 175.395 176.094 0.039 0.000 1.021 157 V CA -2.178 60.117 62.300 -0.008 0.000 0.847 157 V CB 0.379 32.262 31.823 0.100 0.000 0.990 157 V HN 0.424 8.614 8.190 0.001 0.000 0.444 158 R N 5.811 126.329 120.500 0.029 0.000 2.589 158 R HA 0.911 5.444 4.340 0.063 -0.154 0.293 158 R C -1.883 174.478 176.300 0.102 0.000 0.963 158 R CA -2.589 53.542 56.100 0.053 0.000 0.905 158 R CB 2.890 33.196 30.300 0.010 0.000 1.144 158 R HN 1.002 9.267 8.270 -0.008 0.000 0.459 159 A N 3.611 126.503 122.820 0.119 0.000 2.304 159 A HA 0.994 5.635 4.320 0.112 -0.254 0.314 159 A C -1.899 175.697 177.584 0.020 0.000 1.187 159 A CA -2.086 49.999 52.037 0.081 0.000 0.810 159 A CB 2.574 21.583 19.000 0.015 0.000 1.183 159 A HN 1.012 9.231 8.150 0.115 0.000 0.487 160 M N 0.987 120.607 119.600 0.033 0.000 2.535 160 M HA 0.507 5.020 4.480 0.055 0.000 0.314 160 M C -2.097 174.209 176.300 0.010 0.000 1.153 160 M CA -1.372 53.954 55.300 0.044 0.000 0.924 160 M CB 4.108 36.756 32.600 0.080 0.000 1.710 160 M HN 0.192 8.516 8.290 0.056 0.000 0.451 161 A N 1.751 124.576 122.820 0.008 0.000 2.288 161 A HA 0.626 5.090 4.320 -0.024 -0.158 0.320 161 A C -1.042 176.586 177.584 0.072 0.000 1.217 161 A CA -1.173 50.866 52.037 0.003 0.000 0.840 161 A CB 1.107 20.081 19.000 -0.044 0.000 1.179 161 A HN 0.362 8.536 8.150 0.041 0.000 0.504 162 I N -0.907 119.704 120.570 0.069 0.000 3.170 162 I HA 0.496 4.758 4.170 0.153 0.000 0.312 162 I C -1.784 174.436 176.117 0.172 0.000 1.085 162 I CA -2.220 59.155 61.300 0.124 0.000 0.999 162 I CB 3.515 41.571 38.000 0.093 0.000 1.233 162 I HN 0.399 8.514 8.210 0.023 0.109 0.467 163 Y N 1.639 121.953 120.300 0.023 0.000 2.802 163 Y HA 0.215 4.779 4.550 0.025 0.000 0.330 163 Y C 0.013 175.932 175.900 0.032 0.000 1.193 163 Y CA -0.813 57.306 58.100 0.032 0.000 1.427 163 Y CB -1.430 37.060 38.460 0.050 0.000 1.357 163 Y HN 0.523 8.975 8.280 0.287 0.000 0.501 164 K N 4.345 124.746 120.400 0.000 0.000 2.218 164 K HA -0.366 3.973 4.320 0.033 0.000 0.205 164 K C 0.214 176.821 176.600 0.011 0.000 1.046 164 K CA 2.117 58.404 56.287 -0.001 0.000 0.933 164 K CB 0.131 32.604 32.500 -0.046 0.000 0.728 164 K HN -0.134 8.079 8.250 -0.062 0.000 0.454 165 Q N -0.434 119.358 119.800 -0.015 0.000 2.320 165 Q HA -0.166 4.182 4.340 0.013 0.000 0.262 165 Q C 0.981 177.040 176.000 0.097 0.000 1.225 165 Q CA 0.643 56.469 55.803 0.038 0.000 0.916 165 Q CB -0.595 28.174 28.738 0.053 0.000 1.417 165 Q HN -0.189 7.968 8.270 -0.115 0.044 0.462 166 S N 6.714 122.441 115.700 0.046 0.000 2.407 166 S HA -0.440 4.058 4.470 0.048 0.000 0.235 166 S C 2.349 176.944 174.600 -0.009 0.000 1.036 166 S CA 3.894 62.111 58.200 0.029 0.000 1.013 166 S CB 0.030 63.236 63.200 0.011 0.000 0.820 166 S HN 0.435 8.762 8.310 0.029 0.000 0.476 167 Q N -0.801 118.962 119.800 -0.061 0.000 2.437 167 Q HA -0.168 4.048 4.340 -0.208 0.000 0.210 167 Q C 0.368 176.059 176.000 -0.516 0.000 0.972 167 Q CA 1.789 57.437 55.803 -0.260 0.000 0.903 167 Q CB 0.207 28.775 28.738 -0.283 0.000 0.967 167 Q HN 0.419 8.651 8.270 -0.021 0.025 0.486 168 H N -4.506 114.646 119.070 0.137 0.000 3.043 168 H HA 0.288 4.897 4.556 0.089 0.000 0.244 168 H C -0.908 174.551 175.328 0.218 0.000 1.199 168 H CA -0.885 55.269 56.048 0.176 0.000 0.956 168 H CB 0.233 30.170 29.762 0.291 0.000 2.305 168 H HN 0.329 8.476 8.280 0.123 0.207 0.665 169 M N 0.157 119.890 119.600 0.222 0.000 2.267 169 M HA -0.222 4.662 4.480 0.288 -0.232 0.263 169 M C 0.848 177.212 176.300 0.107 0.000 1.063 169 M CA 4.113 59.526 55.300 0.188 0.000 1.090 169 M CB 0.434 33.099 32.600 0.109 0.000 1.392 169 M HN -0.836 7.430 8.290 0.135 0.105 0.422 170 T N -3.599 110.992 114.554 0.062 0.000 3.188 170 T HA -0.047 4.309 4.350 0.010 0.000 0.250 170 T C -0.338 174.329 174.700 -0.055 0.000 1.077 170 T CA -0.637 61.468 62.100 0.009 0.000 0.967 170 T CB -0.665 68.211 68.868 0.012 0.000 1.006 170 T HN -0.296 7.952 8.240 0.078 0.039 0.552 171 E N 3.279 123.396 120.200 -0.138 0.000 2.121 171 E HA 0.153 4.363 4.350 -0.233 0.000 0.255 171 E C -1.038 175.169 176.600 -0.654 0.000 0.906 171 E CA -1.312 54.876 56.400 -0.355 0.000 0.745 171 E CB 0.867 30.342 29.700 -0.375 0.000 1.155 171 E HN -0.243 7.868 8.360 -0.070 0.208 0.424 172 V N 1.106 120.808 119.914 -0.353 0.000 2.637 172 V HA 0.050 4.039 4.120 -0.218 0.000 0.296 172 V C -0.431 175.503 176.094 -0.267 0.000 1.046 172 V CA -0.144 61.999 62.300 -0.260 0.000 1.066 172 V CB 0.774 32.514 31.823 -0.137 0.000 0.968 172 V HN -0.129 7.918 8.190 -0.239 0.000 0.483 173 V N 5.959 125.803 119.914 -0.117 0.000 2.488 173 V HA -0.050 4.041 4.120 -0.048 0.000 0.277 173 V C -0.869 175.245 176.094 0.034 0.000 1.046 173 V CA 0.371 62.679 62.300 0.013 0.000 0.986 173 V CB 0.962 32.912 31.823 0.212 0.000 0.989 173 V HN 0.111 8.291 8.190 -0.018 0.000 0.475 174 R N 6.406 126.916 120.500 0.017 0.000 2.944 174 R HA 0.260 4.642 4.340 0.070 0.000 0.233 174 R C -1.211 175.132 176.300 0.072 0.000 1.346 174 R CA -1.522 54.599 56.100 0.035 0.000 1.082 174 R CB 2.374 32.655 30.300 -0.031 0.000 1.434 174 R HN 0.029 8.299 8.270 -0.001 0.000 0.510 175 R N -0.478 120.065 120.500 0.073 0.000 2.297 175 R HA 0.093 4.491 4.340 0.098 0.000 0.308 175 R C -0.039 176.260 176.300 -0.001 0.000 1.029 175 R CA -0.370 55.770 56.100 0.067 0.000 0.929 175 R CB 0.322 30.664 30.300 0.071 0.000 1.046 175 R HN 0.045 8.359 8.270 0.072 0.000 0.461 176 C N 5.060 124.345 119.300 -0.026 0.000 2.676 176 C HA 0.114 4.423 4.460 -0.251 0.000 0.416 176 C C 0.565 175.350 174.990 -0.342 0.000 1.299 176 C CA -1.314 57.516 59.018 -0.314 0.000 2.048 176 C CB -1.281 26.010 27.740 -0.749 0.000 2.713 176 C HN 0.689 8.984 8.230 0.109 0.000 0.624 177 P HA -0.245 4.112 4.420 -0.104 0.000 0.218 177 P C 0.601 177.819 177.300 -0.136 0.000 1.149 177 P CA 2.229 65.220 63.100 -0.182 0.000 0.817 177 P CB 0.021 31.649 31.700 -0.120 0.000 0.785 178 H N -3.805 115.249 119.070 -0.026 0.000 2.436 178 H HA -0.123 4.422 4.556 -0.018 0.000 0.294 178 H C 1.931 177.265 175.328 0.009 0.000 1.048 178 H CA 2.180 58.202 56.048 -0.043 0.000 1.353 178 H CB -0.988 28.707 29.762 -0.112 0.000 1.414 178 H HN 0.198 7.902 8.280 -0.916 0.026 0.536 179 H N -0.443 118.677 119.070 0.082 0.000 2.462 179 H HA -0.174 4.496 4.556 0.190 0.000 0.292 179 H C 1.401 176.752 175.328 0.037 0.000 1.049 179 H CA 2.365 58.486 56.048 0.121 0.000 1.334 179 H CB -0.035 29.779 29.762 0.088 0.000 1.404 179 H HN -0.321 7.672 8.280 -0.312 0.100 0.544 180 E N -1.465 118.803 120.200 0.113 0.000 2.230 180 E HA -0.090 4.293 4.350 0.055 0.000 0.192 180 E C 1.006 177.634 176.600 0.048 0.000 0.987 180 E CA 0.887 57.320 56.400 0.056 0.000 0.841 180 E CB 0.059 29.770 29.700 0.018 0.000 0.783 180 E HN -0.391 7.978 8.360 0.052 0.022 0.481 181 R N -2.816 117.719 120.500 0.057 0.000 2.223 181 R HA -0.060 4.301 4.340 0.034 0.000 0.198 181 R C 1.700 178.037 176.300 0.062 0.000 0.984 181 R CA 1.779 57.909 56.100 0.049 0.000 1.018 181 R CB -0.004 30.322 30.300 0.044 0.000 0.945 181 R HN -0.583 7.598 8.270 0.066 0.129 0.479 182 C N -1.105 118.252 119.300 0.096 0.000 2.462 182 C HA -0.177 4.328 4.460 0.075 0.000 0.278 182 C C 0.136 175.169 174.990 0.071 0.000 1.253 182 C CA 1.710 60.785 59.018 0.095 0.000 1.713 182 C CB 0.200 28.030 27.740 0.150 0.000 2.049 182 C HN -0.119 8.187 8.230 0.125 0.000 0.477 183 S N -3.808 111.934 115.700 0.070 0.000 2.599 183 S HA 0.252 4.743 4.470 0.036 0.000 0.287 183 S C -2.257 172.358 174.600 0.026 0.000 1.105 183 S CA -0.692 57.533 58.200 0.042 0.000 0.899 183 S CB 2.743 65.966 63.200 0.039 0.000 1.100 183 S HN -0.758 7.606 8.310 0.090 0.000 0.482 184 D N -0.242 120.165 120.400 0.012 0.000 2.932 184 D HA 0.110 4.748 4.640 -0.004 0.000 0.294 184 D C -0.666 175.625 176.300 -0.015 0.000 1.119 184 D CA 0.534 54.532 54.000 -0.002 0.000 0.980 184 D CB 1.857 42.657 40.800 -0.001 0.000 1.361 184 D HN 0.134 8.512 8.370 0.013 0.000 0.466 185 S N -1.606 114.089 115.700 -0.009 0.000 2.500 185 S HA 0.277 4.731 4.470 -0.026 0.000 0.301 185 S C -1.136 173.462 174.600 -0.002 0.000 1.092 185 S CA -0.803 57.389 58.200 -0.013 0.000 1.030 185 S CB 1.935 65.129 63.200 -0.010 0.000 1.031 185 S HN -0.555 7.755 8.310 -0.001 0.000 0.483 186 D N 3.694 124.093 120.400 -0.002 0.000 2.957 186 D HA 0.229 4.877 4.640 0.013 0.000 0.175 186 D C -0.354 175.958 176.300 0.020 0.000 1.502 186 D CA 0.615 54.621 54.000 0.011 0.000 1.524 186 D CB 1.648 42.456 40.800 0.014 0.000 1.300 186 D HN 0.304 8.667 8.370 -0.011 0.000 0.241 187 G N -0.462 108.356 108.800 0.029 0.000 4.904 187 G HA2 0.223 4.206 3.960 0.038 0.000 0.265 187 G HA3 0.223 4.218 3.960 0.057 0.000 0.265 187 G C -0.770 174.168 174.900 0.064 0.000 1.227 187 G CA 0.086 45.214 45.100 0.046 0.000 0.926 187 G HN 0.057 8.362 8.290 0.025 0.000 0.581 188 L N -3.012 118.234 121.223 0.038 0.000 5.044 188 L HA -0.229 4.119 4.340 0.014 0.000 0.412 188 L C -2.003 174.865 176.870 -0.002 0.000 0.971 188 L CA 0.273 55.141 54.840 0.046 0.000 1.411 188 L CB 0.022 42.145 42.059 0.108 0.000 1.884 188 L HN -0.297 7.944 8.230 0.017 0.000 0.631 189 A N -0.643 122.163 122.820 -0.024 0.000 2.292 189 A HA 0.466 4.430 4.320 -0.593 0.000 0.319 189 A C -2.315 175.122 177.584 -0.245 0.000 1.206 189 A CA -1.685 50.243 52.037 -0.182 0.000 0.835 189 A CB 0.586 19.645 19.000 0.100 0.000 1.164 189 A HN -0.372 7.697 8.150 0.019 0.092 0.505 190 P HA 0.696 5.015 4.420 -0.169 0.000 0.286 190 P C -1.264 175.953 177.300 -0.137 0.000 1.261 190 P CA -2.598 60.355 63.100 -0.244 0.000 0.821 190 P CB -0.259 31.255 31.700 -0.309 0.000 1.013 191 P HA -0.259 4.134 4.420 -0.043 0.000 0.217 191 P C 0.077 177.372 177.300 -0.008 0.000 1.148 191 P CA 2.060 65.140 63.100 -0.034 0.000 0.828 191 P CB 0.162 31.860 31.700 -0.003 0.000 0.783 192 Q N -5.193 114.601 119.800 -0.010 0.000 2.248 192 Q HA -0.328 4.070 4.340 0.097 0.000 0.208 192 Q C 0.170 176.222 176.000 0.088 0.000 0.984 192 Q CA 1.732 57.567 55.803 0.054 0.000 0.875 192 Q CB -0.503 28.255 28.738 0.033 0.000 0.910 192 Q HN 0.186 8.405 8.270 -0.044 0.025 0.433 193 H N 0.040 119.020 119.070 -0.151 0.000 2.551 193 H HA 0.198 4.676 4.556 -0.130 0.000 0.321 193 H C -0.243 175.032 175.328 -0.089 0.000 1.028 193 H CA -1.511 54.455 56.048 -0.137 0.000 1.215 193 H CB 1.845 31.547 29.762 -0.099 0.000 1.414 193 H HN -0.385 7.735 8.280 -0.001 0.159 0.480 194 L N 0.791 121.910 121.223 -0.172 0.000 2.217 194 L HA 0.098 4.351 4.340 -0.146 0.000 0.211 194 L C 0.030 176.681 176.870 -0.366 0.000 1.107 194 L CA 1.327 56.037 54.840 -0.218 0.000 0.783 194 L CB 0.434 42.388 42.059 -0.176 0.000 0.919 194 L HN 0.330 8.459 8.230 -0.170 0.000 0.442 195 I N -1.256 118.958 120.570 -0.593 0.000 2.529 195 I HA 0.008 3.811 4.170 -0.830 -0.131 0.284 195 I C -0.721 175.316 176.117 -0.134 0.000 1.082 195 I CA 0.386 61.318 61.300 -0.613 0.000 1.406 195 I CB 0.178 37.724 38.000 -0.757 0.000 1.405 195 I HN -0.767 6.970 8.210 -0.745 0.026 0.548 196 R N 3.711 124.235 120.500 0.040 0.000 2.795 196 R HA 0.398 4.885 4.340 0.246 0.000 0.275 196 R C -1.335 175.126 176.300 0.269 0.000 0.981 196 R CA -1.381 54.832 56.100 0.189 0.000 0.917 196 R CB 4.591 34.979 30.300 0.148 0.000 1.202 196 R HN 0.242 8.529 8.270 0.028 0.000 0.469 197 V N 1.428 121.456 119.914 0.190 0.000 2.604 197 V HA 0.810 5.200 4.120 0.050 -0.241 0.305 197 V C -0.773 175.356 176.094 0.057 0.000 1.043 197 V CA -1.322 61.027 62.300 0.081 0.000 0.888 197 V CB 2.664 34.491 31.823 0.008 0.000 0.995 197 V HN 0.606 8.912 8.190 0.193 0.000 0.429 198 E N 5.916 126.136 120.200 0.034 0.000 2.227 198 E HA 0.280 4.675 4.350 0.075 0.000 0.268 198 E C 0.797 177.393 176.600 -0.006 0.000 0.990 198 E CA -1.347 55.096 56.400 0.072 0.000 0.856 198 E CB 2.625 32.451 29.700 0.209 0.000 1.159 198 E HN -0.088 8.268 8.360 -0.007 0.000 0.401 199 G N 2.843 111.653 108.800 0.016 0.000 2.283 199 G HA2 -0.347 3.610 3.960 -0.004 0.000 0.280 199 G HA3 -0.347 3.576 3.960 -0.062 0.000 0.280 199 G C -0.572 174.298 174.900 -0.049 0.000 1.029 199 G CA 0.266 45.350 45.100 -0.027 0.000 0.840 199 G HN 0.407 8.727 8.290 0.049 0.000 0.505 200 N N -2.447 116.238 118.700 -0.025 0.000 2.482 200 N HA -0.150 4.560 4.740 -0.050 0.000 0.260 200 N C -1.039 174.462 175.510 -0.015 0.000 1.236 200 N CA 0.249 53.283 53.050 -0.026 0.000 0.938 200 N CB 0.987 39.473 38.487 -0.001 0.000 1.128 200 N HN -0.474 7.880 8.380 -0.002 0.025 0.448 201 L N 2.296 123.508 121.223 -0.019 0.000 2.666 201 L HA 0.109 4.445 4.340 -0.006 0.000 0.184 201 L C -0.665 176.203 176.870 -0.003 0.000 1.092 201 L CA 1.185 56.019 54.840 -0.011 0.000 0.857 201 L CB 1.373 43.420 42.059 -0.019 0.000 1.281 201 L HN 0.187 8.401 8.230 -0.026 0.000 0.489 202 R N -0.585 119.910 120.500 -0.008 0.000 2.655 202 R HA 0.218 4.560 4.340 0.003 0.000 0.261 202 R C -1.617 174.675 176.300 -0.014 0.000 1.624 202 R CA -0.536 55.562 56.100 -0.004 0.000 1.655 202 R CB 0.728 31.025 30.300 -0.004 0.000 1.356 202 R HN -0.194 8.068 8.270 -0.014 0.000 0.684 203 V N -1.729 118.175 119.914 -0.017 0.000 2.837 203 V HA 0.745 5.008 4.120 -0.061 -0.180 0.310 203 V C -0.997 175.068 176.094 -0.049 0.000 1.059 203 V CA -1.994 60.273 62.300 -0.055 0.000 1.004 203 V CB 1.624 33.390 31.823 -0.094 0.000 1.045 203 V HN -0.407 7.782 8.190 -0.001 0.000 0.465 204 E N 2.286 122.423 120.200 -0.105 0.000 2.275 204 E HA 0.335 4.709 4.350 0.040 0.000 0.270 204 E C -1.569 174.950 176.600 -0.135 0.000 0.882 204 E CA -1.159 55.211 56.400 -0.050 0.000 0.758 204 E CB 4.480 34.167 29.700 -0.021 0.000 1.195 204 E HN -0.021 8.254 8.360 -0.142 0.000 0.419 205 Y N 2.361 122.626 120.300 -0.058 0.000 2.365 205 Y HA 0.013 4.487 4.550 -0.126 0.000 0.340 205 Y C 0.394 176.204 175.900 -0.151 0.000 1.016 205 Y CA 0.779 58.794 58.100 -0.141 0.000 1.196 205 Y CB 0.441 38.777 38.460 -0.207 0.000 1.167 205 Y HN 0.300 8.743 8.280 0.271 0.000 0.509 206 L N 4.137 125.331 121.223 -0.048 0.000 2.417 206 L HA 0.005 4.343 4.340 -0.003 0.000 0.268 206 L C 0.107 176.984 176.870 0.012 0.000 1.158 206 L CA 0.272 55.104 54.840 -0.014 0.000 0.819 206 L CB 0.767 42.831 42.059 0.009 0.000 1.112 206 L HN 0.687 8.752 8.230 -0.098 0.107 0.458 207 D N -0.856 119.573 120.400 0.049 0.000 3.785 207 D HA 0.016 5.004 4.640 0.220 -0.216 0.241 207 D C -1.596 174.715 176.300 0.019 0.000 1.488 207 D CA -0.271 53.796 54.000 0.111 0.000 0.912 207 D CB 0.410 41.277 40.800 0.111 0.000 1.418 207 D HN 0.155 8.537 8.370 0.019 0.000 0.749 208 D N 0.567 120.940 120.400 -0.046 0.000 2.443 208 D HA -0.051 4.512 4.640 -0.128 0.000 0.239 208 D C 0.657 176.718 176.300 -0.398 0.000 1.136 208 D CA 1.334 55.234 54.000 -0.167 0.000 0.879 208 D CB 1.305 42.007 40.800 -0.164 0.000 1.195 208 D HN -0.007 8.357 8.370 -0.009 0.000 0.443 209 R N 2.784 123.039 120.500 -0.407 0.000 2.275 209 R HA -0.101 3.825 4.340 -0.689 0.000 0.199 209 R C -0.254 175.450 176.300 -0.993 0.000 0.989 209 R CA 2.057 57.792 56.100 -0.607 0.000 1.016 209 R CB -0.115 30.054 30.300 -0.218 0.000 0.918 209 R HN 0.402 8.518 8.270 -0.257 0.000 0.473 210 N N -3.422 114.863 118.700 -0.690 0.000 2.414 210 N HA -0.022 4.481 4.740 -0.395 0.000 0.177 210 N C -0.115 175.139 175.510 -0.427 0.000 1.062 210 N CA 1.715 54.486 53.050 -0.464 0.000 0.890 210 N CB 0.112 38.470 38.487 -0.215 0.000 1.070 210 N HN -0.154 7.869 8.380 -0.504 0.055 0.454 211 T N -5.863 108.417 114.554 -0.456 0.000 2.955 211 T HA 0.110 4.450 4.350 -0.015 0.000 0.251 211 T C -0.677 174.022 174.700 -0.001 0.000 1.002 211 T CA -0.006 62.008 62.100 -0.145 0.000 0.970 211 T CB 1.197 70.022 68.868 -0.072 0.000 1.091 211 T HN -0.569 7.361 8.240 -0.517 0.000 0.495 212 F N -1.849 118.088 119.950 -0.022 0.000 3.067 212 F HA -0.419 4.243 4.527 -0.018 -0.147 0.279 212 F C -0.768 174.995 175.800 -0.062 0.000 0.945 212 F CA 0.970 58.942 58.000 -0.046 0.000 0.948 212 F CB -2.915 36.035 39.000 -0.084 0.000 0.898 212 F HN -0.059 7.718 8.300 -0.672 0.120 0.746 213 R N -1.567 118.989 120.500 0.093 0.000 2.539 213 R HA 0.003 4.397 4.340 0.089 0.000 0.275 213 R C -1.117 175.323 176.300 0.233 0.000 1.077 213 R CA -0.626 55.539 56.100 0.109 0.000 1.097 213 R CB 1.813 32.156 30.300 0.071 0.000 1.018 213 R HN -0.727 7.560 8.270 0.029 0.000 0.483 214 H N 3.661 122.788 119.070 0.094 0.000 2.638 214 H HA 0.405 5.129 4.556 -0.010 -0.174 0.317 214 H C -1.289 174.189 175.328 0.251 0.000 1.006 214 H CA -1.452 54.675 56.048 0.131 0.000 1.222 214 H CB 1.721 31.625 29.762 0.237 0.000 1.419 214 H HN 0.244 8.668 8.280 0.241 0.000 0.489 215 S N 2.915 118.754 115.700 0.231 0.000 2.556 215 S HA 0.271 5.026 4.470 0.327 -0.089 0.280 215 S C -2.745 171.931 174.600 0.126 0.000 1.141 215 S CA -0.477 57.860 58.200 0.228 0.000 0.883 215 S CB 3.303 66.576 63.200 0.122 0.000 1.103 215 S HN 0.453 8.774 8.310 0.019 0.000 0.453 216 V N 4.335 124.327 119.914 0.130 0.000 2.472 216 V HA 0.610 4.747 4.120 -0.230 -0.156 0.290 216 V C -2.199 173.865 176.094 -0.050 0.000 1.037 216 V CA -2.633 59.614 62.300 -0.087 0.000 0.908 216 V CB 3.185 34.906 31.823 -0.170 0.000 0.985 216 V HN 0.223 8.508 8.190 0.157 0.000 0.454 217 V N 4.629 124.482 119.914 -0.103 0.000 2.555 217 V HA 0.573 4.807 4.120 -0.011 -0.121 0.302 217 V C -1.752 174.309 176.094 -0.055 0.000 1.038 217 V CA -2.450 59.819 62.300 -0.050 0.000 0.887 217 V CB 2.074 33.866 31.823 -0.051 0.000 0.991 217 V HN 0.275 8.356 8.190 -0.182 0.000 0.434 218 V N -2.072 117.831 119.914 -0.017 0.000 2.769 218 V HA 0.666 4.765 4.120 -0.035 0.000 0.312 218 V C -2.091 174.007 176.094 0.008 0.000 1.061 218 V CA -4.329 57.962 62.300 -0.015 0.000 0.931 218 V CB 2.440 34.255 31.823 -0.014 0.000 1.010 218 V HN 0.660 8.737 8.190 0.004 0.115 0.433 219 P HA 0.048 4.485 4.420 0.028 0.000 0.284 219 P C -1.084 176.281 177.300 0.108 0.000 1.253 219 P CA -0.923 62.200 63.100 0.038 0.000 0.800 219 P CB 0.930 32.639 31.700 0.015 0.000 0.961 220 Y N 2.928 123.193 120.300 -0.058 0.000 2.620 220 Y HA -0.215 4.296 4.550 -0.063 0.000 0.330 220 Y C 0.580 176.446 175.900 -0.056 0.000 1.186 220 Y CA 0.051 58.116 58.100 -0.059 0.000 1.467 220 Y CB 0.833 39.260 38.460 -0.055 0.000 1.262 220 Y HN -0.274 8.118 8.280 0.188 0.000 0.550 221 E N 6.869 126.961 120.200 -0.180 0.000 2.437 221 E HA 0.354 4.642 4.350 -0.103 0.000 0.238 221 E C -2.149 174.285 176.600 -0.277 0.000 0.969 221 E CA -3.074 53.220 56.400 -0.177 0.000 0.759 221 E CB 0.129 29.742 29.700 -0.145 0.000 1.283 221 E HN 0.185 8.346 8.360 -0.332 0.000 0.416 222 P HA -0.096 4.154 4.420 -0.284 0.000 0.265 222 P C -1.787 175.397 177.300 -0.193 0.000 1.167 222 P CA -0.483 62.487 63.100 -0.217 0.000 0.760 222 P CB -0.171 31.464 31.700 -0.109 0.000 0.783 223 P HA -0.197 4.101 4.420 -0.203 0.000 0.270 223 P C -1.055 176.176 177.300 -0.115 0.000 1.221 223 P CA 0.086 63.086 63.100 -0.166 0.000 0.788 223 P CB 0.881 32.498 31.700 -0.140 0.000 0.904 224 E N 1.054 121.191 120.200 -0.106 0.000 2.207 224 E HA 0.229 4.540 4.350 -0.064 0.000 0.270 224 E C -0.560 176.010 176.600 -0.051 0.000 0.927 224 E CA -1.191 55.166 56.400 -0.072 0.000 0.799 224 E CB 2.995 32.652 29.700 -0.071 0.000 1.172 224 E HN -0.210 8.074 8.360 -0.126 0.000 0.404 225 V N 3.147 123.041 119.914 -0.034 0.000 2.519 225 V HA -0.321 3.789 4.120 -0.016 0.000 0.258 225 V C 0.743 176.829 176.094 -0.014 0.000 0.989 225 V CA 1.538 63.826 62.300 -0.019 0.000 1.170 225 V CB -2.518 29.297 31.823 -0.014 0.000 1.066 225 V HN 0.520 8.689 8.190 -0.034 0.000 0.469 226 G N 7.265 116.060 108.800 -0.008 0.000 2.738 226 G HA2 -0.201 3.766 3.960 0.012 0.000 0.195 226 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.195 226 G C -0.231 174.673 174.900 0.006 0.000 1.001 226 G CA 0.138 45.239 45.100 0.002 0.000 0.759 226 G HN 0.112 8.397 8.290 -0.008 0.000 0.494 227 S N 1.800 117.487 115.700 -0.021 0.000 2.891 227 S HA 0.034 4.506 4.470 0.003 0.000 0.247 227 S C 0.590 175.158 174.600 -0.054 0.000 1.063 227 S CA 0.674 58.846 58.200 -0.047 0.000 0.857 227 S CB 2.556 65.683 63.200 -0.122 0.000 0.800 227 S HN -0.138 8.151 8.310 -0.035 0.000 0.540 228 D N 0.503 120.855 120.400 -0.080 0.000 3.028 228 D HA -0.310 4.298 4.640 -0.053 0.000 0.207 228 D C -2.039 174.157 176.300 -0.173 0.000 1.100 228 D CA 1.766 55.733 54.000 -0.055 0.000 0.995 228 D CB -0.231 40.611 40.800 0.070 0.000 1.108 228 D HN -0.222 8.096 8.370 -0.086 0.000 0.421 229 C N -6.749 112.312 119.300 -0.398 0.000 2.994 229 C HA 0.449 4.617 4.460 -0.487 0.000 0.304 229 C C -1.136 173.540 174.990 -0.523 0.000 1.273 229 C CA -3.505 55.108 59.018 -0.676 0.000 1.537 229 C CB 4.128 30.832 27.740 -1.727 0.000 2.001 229 C HN -0.611 7.334 8.230 -0.345 0.077 0.471 230 T N 4.152 118.418 114.554 -0.480 0.000 2.723 230 T HA 0.127 4.276 4.350 -0.335 0.000 0.297 230 T C -0.466 174.011 174.700 -0.372 0.000 0.925 230 T CA 0.537 62.418 62.100 -0.366 0.000 1.030 230 T CB 0.072 68.763 68.868 -0.295 0.000 0.905 230 T HN 0.240 8.188 8.240 -0.487 0.000 0.502 231 T N 8.328 122.677 114.554 -0.343 0.000 2.727 231 T HA 0.289 4.568 4.350 -0.318 -0.121 0.298 231 T C -0.686 173.762 174.700 -0.421 0.000 0.942 231 T CA -0.742 61.156 62.100 -0.336 0.000 0.997 231 T CB 0.337 69.044 68.868 -0.269 0.000 0.917 231 T HN 0.415 8.467 8.240 -0.315 0.000 0.487 232 I N 9.131 129.466 120.570 -0.392 0.000 2.406 232 I HA 0.245 4.094 4.170 -0.535 0.000 0.290 232 I C -1.703 174.155 176.117 -0.431 0.000 0.999 232 I CA -1.219 59.792 61.300 -0.481 0.000 1.124 232 I CB 2.967 40.694 38.000 -0.454 0.000 1.289 232 I HN 0.579 8.611 8.210 -0.298 0.000 0.441 233 H N 6.883 125.796 119.070 -0.263 0.000 2.552 233 H HA 0.240 4.746 4.556 -0.083 0.000 0.311 233 H C -0.942 174.297 175.328 -0.148 0.000 1.071 233 H CA -1.480 54.483 56.048 -0.143 0.000 1.307 233 H CB 1.184 30.914 29.762 -0.052 0.000 1.416 233 H HN 0.671 8.655 8.280 -0.494 0.000 0.464 234 Y N 4.886 125.332 120.300 0.242 0.000 2.377 234 Y HA 0.741 5.672 4.550 0.201 -0.260 0.339 234 Y C -0.984 175.087 175.900 0.285 0.000 1.011 234 Y CA -2.152 56.103 58.100 0.259 0.000 1.093 234 Y CB 2.135 40.813 38.460 0.363 0.000 1.201 234 Y HN 0.301 8.757 8.280 0.293 0.000 0.455 235 N N 1.250 120.223 118.700 0.455 0.000 2.296 235 N HA 0.352 5.307 4.740 0.358 0.000 0.294 235 N C -1.983 173.733 175.510 0.342 0.000 1.033 235 N CA -0.784 52.475 53.050 0.350 0.000 0.839 235 N CB 4.391 42.998 38.487 0.199 0.000 1.395 235 N HN 0.308 8.835 8.380 0.427 0.109 0.479 236 Y N 2.063 122.396 120.300 0.053 0.000 2.331 236 Y HA 0.303 5.073 4.550 -0.014 -0.228 0.338 236 Y C -0.225 175.667 175.900 -0.013 0.000 0.976 236 Y CA -1.268 56.834 58.100 0.004 0.000 1.137 236 Y CB 1.349 39.803 38.460 -0.010 0.000 1.172 236 Y HN 0.313 8.865 8.280 0.454 0.000 0.478 237 M N 4.998 124.609 119.600 0.017 0.000 3.029 237 M HA 0.056 4.521 4.480 -0.025 0.000 0.267 237 M C -1.979 174.224 176.300 -0.163 0.000 1.270 237 M CA -1.180 54.074 55.300 -0.076 0.000 1.101 237 M CB -1.300 31.215 32.600 -0.140 0.000 1.266 237 M HN 0.220 8.347 8.290 -0.064 0.125 0.503 238 C N -1.385 117.925 119.300 0.016 0.000 3.097 238 C HA 0.064 4.629 4.460 0.174 0.000 0.422 238 C C -2.121 172.962 174.990 0.155 0.000 0.999 238 C CA -1.010 58.069 59.018 0.103 0.000 1.235 238 C CB 1.789 29.584 27.740 0.091 0.000 1.615 238 C HN -0.306 7.896 8.230 0.099 0.088 0.553 239 N N 3.319 122.116 118.700 0.161 0.000 2.482 239 N HA 0.052 4.855 4.740 0.104 0.000 0.279 239 N C 0.763 176.336 175.510 0.104 0.000 1.182 239 N CA -1.091 52.029 53.050 0.117 0.000 0.969 239 N CB 1.152 39.697 38.487 0.097 0.000 1.201 239 N HN -0.440 8.061 8.380 0.202 0.000 0.523 240 S N 0.024 115.765 115.700 0.068 0.000 2.400 240 S HA -0.290 4.211 4.470 0.052 0.000 0.232 240 S C 1.779 176.412 174.600 0.055 0.000 1.025 240 S CA 3.627 61.857 58.200 0.050 0.000 0.993 240 S CB -0.643 62.572 63.200 0.024 0.000 0.808 240 S HN 0.081 8.426 8.310 0.057 0.000 0.478 241 S N 1.624 117.357 115.700 0.055 0.000 2.419 241 S HA -0.266 4.224 4.470 0.033 0.000 0.235 241 S C 0.440 175.070 174.600 0.050 0.000 1.019 241 S CA 1.825 60.051 58.200 0.044 0.000 0.982 241 S CB 0.078 63.300 63.200 0.036 0.000 0.789 241 S HN -0.085 8.233 8.310 0.059 0.027 0.490 242 C N 4.153 123.503 119.300 0.083 0.000 2.793 242 C HA -0.227 4.271 4.460 0.065 0.000 0.388 242 C C 1.483 176.528 174.990 0.091 0.000 1.254 242 C CA 1.126 60.206 59.018 0.104 0.000 1.326 242 C CB -0.457 27.401 27.740 0.196 0.000 2.065 242 C HN -0.284 7.984 8.230 0.101 0.023 0.597 243 M N 5.905 125.541 119.600 0.059 0.000 2.267 243 M HA -0.140 4.366 4.480 0.044 0.000 0.263 243 M C 0.233 176.571 176.300 0.062 0.000 1.063 243 M CA 2.604 57.933 55.300 0.049 0.000 1.090 243 M CB -0.746 31.871 32.600 0.029 0.000 1.392 243 M HN -0.113 8.193 8.290 0.038 0.006 0.422 244 G N -2.883 105.979 108.800 0.103 0.000 3.181 244 G HA2 0.025 4.015 3.960 0.050 0.000 0.219 244 G HA3 0.025 4.069 3.960 0.139 0.000 0.219 244 G C -1.011 173.926 174.900 0.062 0.000 1.182 244 G CA -1.294 43.860 45.100 0.090 0.000 0.791 244 G HN -0.108 8.228 8.290 0.132 0.033 0.537 245 G N -0.259 108.599 108.800 0.096 0.000 2.465 245 G HA2 0.385 4.390 3.960 0.076 0.000 0.178 245 G HA3 0.385 4.436 3.960 0.152 0.000 0.178 245 G C 0.499 175.476 174.900 0.128 0.000 1.591 245 G CA 0.501 45.666 45.100 0.110 0.000 0.689 245 G HN -0.194 7.955 8.290 0.103 0.203 0.708 246 M N 0.752 120.442 119.600 0.150 0.000 2.160 246 M HA -0.065 4.604 4.480 0.314 0.000 0.264 246 M C -0.083 176.302 176.300 0.143 0.000 1.073 246 M CA 1.433 56.843 55.300 0.183 0.000 1.142 246 M CB 0.853 33.515 32.600 0.103 0.000 1.358 246 M HN -0.620 7.755 8.290 0.142 0.000 0.422 247 N N -4.131 114.617 118.700 0.080 0.000 2.806 247 N HA -0.292 4.470 4.740 0.037 0.000 0.248 247 N C -0.666 174.861 175.510 0.028 0.000 1.081 247 N CA 0.734 53.809 53.050 0.042 0.000 0.680 247 N CB -0.530 37.966 38.487 0.015 0.000 0.941 247 N HN -0.449 7.981 8.380 0.082 0.000 0.554 248 R N -5.765 114.752 120.500 0.027 0.000 3.651 248 R HA -0.569 3.781 4.340 0.016 0.000 0.292 248 R C -2.182 174.116 176.300 -0.003 0.000 1.161 248 R CA 2.065 58.175 56.100 0.016 0.000 0.787 248 R CB -1.068 29.245 30.300 0.022 0.000 1.249 248 R HN -0.395 7.896 8.270 0.035 0.000 0.476 249 R N -1.456 119.021 120.500 -0.038 0.000 2.388 249 R HA 0.495 4.909 4.340 -0.105 -0.137 0.314 249 R C -2.488 173.647 176.300 -0.275 0.000 0.959 249 R CA -2.534 53.470 56.100 -0.159 0.000 0.851 249 R CB 1.860 32.037 30.300 -0.205 0.000 1.168 249 R HN -0.268 7.972 8.270 -0.013 0.022 0.472 250 P HA 0.002 4.333 4.420 -0.147 0.000 0.272 250 P C -1.609 175.507 177.300 -0.308 0.000 1.230 250 P CA -0.446 62.532 63.100 -0.202 0.000 0.788 250 P CB 1.019 32.640 31.700 -0.132 0.000 0.949 251 I N -6.848 113.588 120.570 -0.223 0.000 2.689 251 I HA 0.690 4.824 4.170 -0.232 -0.103 0.299 251 I C -2.109 173.892 176.117 -0.194 0.000 1.059 251 I CA -2.035 59.152 61.300 -0.189 0.000 1.055 251 I CB 4.099 42.055 38.000 -0.074 0.000 1.243 251 I HN -0.569 7.597 8.210 -0.182 -0.066 0.425 252 L N 4.701 125.830 121.223 -0.156 0.000 2.313 252 L HA 0.736 5.000 4.340 -0.340 -0.128 0.283 252 L C -1.102 175.658 176.870 -0.183 0.000 1.013 252 L CA -1.510 53.206 54.840 -0.207 0.000 0.816 252 L CB 3.490 45.482 42.059 -0.111 0.000 1.236 252 L HN 0.230 8.402 8.230 -0.098 0.000 0.419 253 T N 8.729 123.070 114.554 -0.355 0.000 2.799 253 T HA 0.660 5.188 4.350 -0.087 -0.231 0.286 253 T C -0.582 174.144 174.700 0.044 0.000 0.973 253 T CA -1.374 60.617 62.100 -0.182 0.000 1.035 253 T CB 0.682 69.403 68.868 -0.245 0.000 0.932 253 T HN 0.795 8.622 8.240 -0.688 0.000 0.469 254 I N 6.219 126.849 120.570 0.100 0.000 2.382 254 I HA 0.358 4.825 4.170 0.234 -0.156 0.285 254 I C -0.987 175.242 176.117 0.188 0.000 1.007 254 I CA -0.501 60.901 61.300 0.170 0.000 1.142 254 I CB 1.402 39.476 38.000 0.122 0.000 1.289 254 I HN 1.032 9.164 8.210 0.055 0.111 0.453 255 I N 9.376 130.108 120.570 0.270 0.000 2.297 255 I HA 0.439 4.955 4.170 0.226 -0.211 0.291 255 I C -0.679 175.591 176.117 0.255 0.000 1.033 255 I CA -0.810 60.658 61.300 0.281 0.000 1.253 255 I CB 0.321 38.547 38.000 0.377 0.000 1.396 255 I HN 0.810 9.215 8.210 0.325 0.000 0.476 256 T N 5.393 120.016 114.554 0.115 0.000 2.797 256 T HA 0.473 4.921 4.350 -0.033 -0.118 0.279 256 T C -1.205 173.402 174.700 -0.156 0.000 0.991 256 T CA -2.227 59.852 62.100 -0.036 0.000 0.979 256 T CB 1.909 70.731 68.868 -0.078 0.000 0.943 256 T HN 0.978 9.278 8.240 0.100 0.000 0.444 257 L N 2.860 123.850 121.223 -0.389 0.000 2.298 257 L HA 0.831 5.157 4.340 -0.325 -0.180 0.284 257 L C -2.223 174.323 176.870 -0.540 0.000 1.013 257 L CA -1.256 53.297 54.840 -0.477 0.000 0.824 257 L CB 1.583 43.248 42.059 -0.657 0.000 1.221 257 L HN 0.893 8.695 8.230 -0.511 0.122 0.418 258 E N 1.617 121.556 120.200 -0.435 0.000 2.456 258 E HA 0.612 4.775 4.350 -0.468 -0.094 0.276 258 E C -1.788 174.606 176.600 -0.343 0.000 0.981 258 E CA -2.363 53.799 56.400 -0.398 0.000 0.814 258 E CB 3.901 33.416 29.700 -0.308 0.000 1.382 258 E HN 0.512 8.652 8.360 -0.367 0.000 0.459 259 D N -0.648 119.589 120.400 -0.272 0.000 2.423 259 D HA 0.351 4.846 4.640 -0.242 0.000 0.255 259 D C 1.821 178.028 176.300 -0.154 0.000 1.174 259 D CA -0.992 52.883 54.000 -0.208 0.000 1.008 259 D CB 1.981 42.688 40.800 -0.155 0.000 1.101 259 D HN -0.380 8.005 8.370 -0.259 -0.170 0.516 260 S N 0.818 116.447 115.700 -0.118 0.000 2.399 260 S HA -0.200 4.215 4.470 -0.091 0.000 0.231 260 S C 0.799 175.355 174.600 -0.074 0.000 1.022 260 S CA 3.018 61.166 58.200 -0.087 0.000 0.983 260 S CB 0.247 63.407 63.200 -0.067 0.000 0.803 260 S HN 0.415 8.656 8.310 -0.115 0.000 0.480 261 S N -0.609 115.048 115.700 -0.072 0.000 2.474 261 S HA -0.065 4.376 4.470 -0.047 0.000 0.235 261 S C -0.278 174.285 174.600 -0.062 0.000 0.997 261 S CA 0.247 58.413 58.200 -0.057 0.000 0.949 261 S CB 0.189 63.360 63.200 -0.048 0.000 0.766 261 S HN -0.500 7.739 8.310 -0.078 0.024 0.517 262 G N 1.466 110.215 108.800 -0.085 0.000 2.742 262 G HA2 -0.288 3.981 3.960 -0.105 0.000 0.257 262 G HA3 -0.288 3.630 3.960 -0.069 0.000 0.257 262 G C -2.108 172.733 174.900 -0.097 0.000 1.143 262 G CA -0.237 44.809 45.100 -0.089 0.000 1.064 262 G HN -0.424 7.623 8.290 -0.101 0.183 0.529 263 N N -0.728 117.890 118.700 -0.136 0.000 2.540 263 N HA 0.100 4.775 4.740 -0.107 0.000 0.275 263 N C -1.334 174.023 175.510 -0.255 0.000 1.053 263 N CA -1.551 51.412 53.050 -0.144 0.000 0.876 263 N CB 1.488 39.913 38.487 -0.102 0.000 1.284 263 N HN -0.638 7.646 8.380 -0.160 0.000 0.518 264 L N 2.439 123.477 121.223 -0.308 0.000 2.584 264 L HA -0.247 3.772 4.340 -0.536 0.000 0.272 264 L C -0.150 176.319 176.870 -0.668 0.000 1.195 264 L CA 1.104 55.595 54.840 -0.581 0.000 0.920 264 L CB -0.051 41.505 42.059 -0.839 0.000 1.173 264 L HN 0.498 8.598 8.230 -0.217 0.000 0.489 265 L N 3.503 124.273 121.223 -0.755 0.000 2.653 265 L HA 0.352 4.263 4.340 -0.716 0.000 0.230 265 L C -0.622 175.797 176.870 -0.752 0.000 1.055 265 L CA 0.373 54.652 54.840 -0.935 0.000 0.880 265 L CB 1.425 42.658 42.059 -1.376 0.000 1.195 265 L HN 0.783 8.473 8.230 -0.731 0.101 0.492 266 G N -3.555 104.776 108.800 -0.782 0.000 2.354 266 G HA2 0.145 4.091 3.960 -0.023 0.000 0.285 266 G HA3 0.145 3.321 3.960 -1.307 0.000 0.285 266 G C -3.123 171.415 174.900 -0.604 0.000 1.390 266 G CA 0.356 45.051 45.100 -0.675 0.000 1.231 266 G HN -0.507 7.278 8.290 -0.842 0.000 0.603 267 R N 3.169 123.695 120.500 0.044 0.000 2.510 267 R HA 0.916 5.661 4.340 0.278 -0.238 0.294 267 R C -2.000 174.520 176.300 0.367 0.000 1.056 267 R CA -2.304 53.905 56.100 0.181 0.000 0.918 267 R CB 2.215 32.450 30.300 -0.108 0.000 1.187 267 R HN -0.198 8.189 8.270 0.195 0.000 0.437 268 N N 5.010 123.951 118.700 0.401 0.000 2.509 268 N HA 0.431 5.335 4.740 0.275 0.000 0.280 268 N C -2.187 173.493 175.510 0.283 0.000 1.306 268 N CA -1.396 51.832 53.050 0.297 0.000 0.782 268 N CB 3.525 42.145 38.487 0.222 0.000 1.493 268 N HN 0.425 9.091 8.380 0.477 0.000 0.498 269 S N -1.385 114.473 115.700 0.264 0.000 2.536 269 S HA 0.915 5.768 4.470 0.348 -0.174 0.287 269 S C -1.488 173.315 174.600 0.337 0.000 1.101 269 S CA -0.900 57.468 58.200 0.280 0.000 0.950 269 S CB 2.929 66.227 63.200 0.163 0.000 1.056 269 S HN -0.088 8.361 8.310 0.232 0.000 0.481 270 F N -1.743 118.242 119.950 0.059 0.000 2.620 270 F HA 0.378 4.920 4.527 0.025 0.000 0.320 270 F C -2.858 172.889 175.800 -0.088 0.000 1.069 270 F CA -2.465 55.533 58.000 -0.004 0.000 0.953 270 F CB 2.235 41.216 39.000 -0.032 0.000 1.322 270 F HN 0.767 9.312 8.300 0.409 0.000 0.479 271 E N 0.291 120.308 120.200 -0.306 0.000 2.216 271 E HA 0.326 4.523 4.350 -0.455 -0.120 0.279 271 E C -1.079 175.174 176.600 -0.577 0.000 0.997 271 E CA -1.525 54.619 56.400 -0.426 0.000 0.817 271 E CB 3.049 32.607 29.700 -0.237 0.000 1.096 271 E HN -0.229 8.091 8.360 -0.067 0.000 0.393 272 V N 0.724 120.283 119.914 -0.592 0.000 2.448 272 V HA 0.424 4.342 4.120 -0.508 -0.103 0.295 272 V C -1.813 174.075 176.094 -0.343 0.000 1.025 272 V CA -2.208 59.759 62.300 -0.554 0.000 0.859 272 V CB 1.115 32.453 31.823 -0.809 0.000 0.988 272 V HN 0.366 8.252 8.190 -0.507 0.000 0.431 273 R N 6.153 126.498 120.500 -0.257 0.000 2.422 273 R HA 0.300 4.601 4.340 -0.066 0.000 0.307 273 R C -2.091 174.224 176.300 0.026 0.000 1.004 273 R CA -1.406 54.658 56.100 -0.059 0.000 0.882 273 R CB 2.830 33.190 30.300 0.101 0.000 1.164 273 R HN 0.740 8.726 8.270 -0.305 0.101 0.489 274 V N 1.681 121.599 119.914 0.007 0.000 2.427 274 V HA 0.754 5.066 4.120 0.045 -0.164 0.286 274 V C -0.549 175.580 176.094 0.059 0.000 1.034 274 V CA -2.961 59.360 62.300 0.035 0.000 0.893 274 V CB 0.709 32.551 31.823 0.032 0.000 0.982 274 V HN 0.480 8.665 8.190 -0.009 0.000 0.452 275 C N 6.992 126.327 119.300 0.059 0.000 3.861 275 C HA -0.071 4.416 4.460 0.045 0.000 0.356 275 C C -0.853 174.156 174.990 0.031 0.000 2.866 275 C CA 0.007 59.051 59.018 0.044 0.000 1.551 275 C CB 0.700 28.462 27.740 0.037 0.000 2.907 275 C HN 0.391 8.657 8.230 0.061 0.000 0.387 276 A N 1.029 123.870 122.820 0.036 0.000 2.765 276 A HA -0.337 4.002 4.320 0.031 0.000 0.286 276 A C -1.067 176.525 177.584 0.014 0.000 1.457 276 A CA 1.805 53.858 52.037 0.027 0.000 0.899 276 A CB -1.909 17.105 19.000 0.023 0.000 0.983 276 A HN 0.456 8.698 8.150 0.045 -0.065 0.584 277 C N -3.721 115.586 119.300 0.012 0.000 3.432 277 C HA 0.384 4.836 4.460 -0.012 0.000 0.242 277 C C -1.946 173.032 174.990 -0.020 0.000 1.152 277 C CA -2.317 56.693 59.018 -0.013 0.000 1.242 277 C CB 1.030 28.749 27.740 -0.035 0.000 1.802 277 C HN -0.311 7.887 8.230 0.027 0.049 0.577 278 P HA -0.090 4.429 4.420 0.166 0.000 0.217 278 P C 0.761 178.062 177.300 0.002 0.000 1.154 278 P CA 2.384 65.528 63.100 0.073 0.000 0.841 278 P CB 0.469 32.223 31.700 0.089 0.000 0.788 279 G N -2.148 106.637 108.800 -0.025 0.000 2.464 279 G HA2 -0.242 3.697 3.960 -0.035 0.000 0.217 279 G HA3 -0.242 3.762 3.960 -0.038 -0.067 0.217 279 G C 0.954 175.798 174.900 -0.093 0.000 1.138 279 G CA 1.391 46.463 45.100 -0.048 0.000 0.793 279 G HN -0.322 7.959 8.290 -0.014 0.000 0.539 280 R N -1.128 119.308 120.500 -0.107 0.000 2.161 280 R HA -0.175 4.104 4.340 -0.103 0.000 0.213 280 R C 1.137 177.302 176.300 -0.224 0.000 1.055 280 R CA 2.621 58.645 56.100 -0.126 0.000 0.996 280 R CB -0.118 30.129 30.300 -0.088 0.000 0.901 280 R HN -0.015 8.180 8.270 -0.084 0.025 0.456 281 D N -0.475 119.713 120.400 -0.354 0.000 2.162 281 D HA -0.109 4.234 4.640 -0.494 0.000 0.203 281 D C 2.097 177.753 176.300 -1.072 0.000 0.967 281 D CA 3.224 56.797 54.000 -0.713 0.000 0.840 281 D CB -0.035 40.246 40.800 -0.866 0.000 0.972 281 D HN -0.377 7.705 8.370 -0.275 0.123 0.482 282 R N -0.277 119.765 120.500 -0.764 0.000 2.093 282 R HA -0.202 3.899 4.340 -0.399 0.000 0.224 282 R C 2.089 178.301 176.300 -0.146 0.000 1.101 282 R CA 2.527 58.425 56.100 -0.336 0.000 0.979 282 R CB -0.008 30.345 30.300 0.089 0.000 0.877 282 R HN -0.173 7.800 8.270 -0.495 0.000 0.441 283 R N -2.133 118.285 120.500 -0.138 0.000 2.119 283 R HA -0.121 4.196 4.340 -0.038 0.000 0.222 283 R C 2.325 178.573 176.300 -0.088 0.000 1.088 283 R CA 3.330 59.384 56.100 -0.076 0.000 0.984 283 R CB -0.023 30.242 30.300 -0.059 0.000 0.884 283 R HN -0.152 7.913 8.270 -0.169 0.104 0.447 284 T N 0.675 115.146 114.554 -0.138 0.000 2.978 284 T HA -0.096 4.208 4.350 -0.075 0.000 0.262 284 T C 1.550 176.189 174.700 -0.102 0.000 1.063 284 T CA 3.774 65.806 62.100 -0.112 0.000 1.140 284 T CB -0.236 68.557 68.868 -0.125 0.000 0.886 284 T HN -0.262 7.760 8.240 -0.196 0.101 0.470 285 E N 0.992 121.102 120.200 -0.149 0.000 2.112 285 E HA -0.127 4.195 4.350 -0.046 0.000 0.190 285 E C 2.201 178.796 176.600 -0.010 0.000 0.979 285 E CA 3.126 59.483 56.400 -0.072 0.000 0.814 285 E CB -0.394 29.267 29.700 -0.066 0.000 0.762 285 E HN -0.317 7.798 8.360 -0.243 0.099 0.460 286 E N -1.224 118.967 120.200 -0.014 0.000 2.170 286 E HA -0.185 4.179 4.350 0.023 0.000 0.191 286 E C 1.914 178.512 176.600 -0.004 0.000 0.981 286 E CA 2.824 59.229 56.400 0.008 0.000 0.830 286 E CB 0.237 29.947 29.700 0.017 0.000 0.775 286 E HN -0.310 8.022 8.360 -0.047 0.000 0.470 287 E N -0.929 119.261 120.200 -0.017 0.000 2.122 287 E HA -0.189 4.156 4.350 -0.009 0.000 0.190 287 E C 2.008 178.601 176.600 -0.012 0.000 0.977 287 E CA 2.409 58.800 56.400 -0.015 0.000 0.820 287 E CB 0.159 29.846 29.700 -0.022 0.000 0.770 287 E HN -0.358 7.882 8.360 -0.031 0.101 0.462 288 N N -0.432 118.259 118.700 -0.015 0.000 2.300 288 N HA -0.146 4.591 4.740 -0.006 0.000 0.179 288 N C 2.075 177.585 175.510 0.001 0.000 1.016 288 N CA 2.703 55.748 53.050 -0.008 0.000 0.876 288 N CB 0.439 38.918 38.487 -0.014 0.000 0.979 288 N HN -0.348 7.909 8.380 -0.024 0.109 0.432 289 L N -0.656 120.569 121.223 0.005 0.000 2.240 289 L HA -0.132 4.217 4.340 0.014 0.000 0.211 289 L C 1.337 178.212 176.870 0.009 0.000 1.106 289 L CA 2.294 57.142 54.840 0.012 0.000 0.793 289 L CB 0.131 42.204 42.059 0.023 0.000 0.927 289 L HN -0.451 7.680 8.230 0.001 0.099 0.446 290 R N -1.095 119.408 120.500 0.005 0.000 2.070 290 R HA -0.253 4.089 4.340 0.003 0.000 0.232 290 R C 1.576 177.878 176.300 0.002 0.000 1.138 290 R CA 1.952 58.054 56.100 0.002 0.000 0.936 290 R CB -0.339 29.961 30.300 -0.000 0.000 0.839 290 R HN -0.568 7.677 8.270 0.003 0.027 0.429 291 K N -3.034 117.367 120.400 0.002 0.000 2.002 291 K HA -0.155 4.166 4.320 0.002 0.000 0.209 291 K C 0.413 177.016 176.600 0.004 0.000 1.048 291 K CA 1.264 57.553 56.287 0.004 0.000 0.930 291 K CB 0.638 33.141 32.500 0.005 0.000 0.714 291 K HN -0.592 7.659 8.250 0.002 0.000 0.438 292 K N -0.360 120.044 120.400 0.007 0.000 4.361 292 K HA -0.323 4.004 4.320 0.011 0.000 0.294 292 K C -0.363 176.242 176.600 0.008 0.000 0.970 292 K CA 0.259 56.551 56.287 0.007 0.000 0.913 292 K CB -1.433 31.068 32.500 0.001 0.000 1.583 292 K HN -0.415 7.840 8.250 0.008 0.000 0.438 293 G N 0.734 109.546 108.800 0.021 0.000 2.829 293 G HA2 -0.300 3.693 3.960 0.055 0.000 0.628 293 G HA3 -0.300 3.677 3.960 0.029 0.000 0.628 293 G C -1.497 173.422 174.900 0.032 0.000 1.412 293 G CA 0.106 45.228 45.100 0.036 0.000 0.864 293 G HN 0.258 8.562 8.290 0.023 0.000 0.544 294 E N -1.614 118.617 120.200 0.052 0.000 2.384 294 E HA 0.009 4.377 4.350 0.030 0.000 0.274 294 E C -1.184 175.458 176.600 0.070 0.000 1.095 294 E CA -0.095 56.332 56.400 0.045 0.000 1.979 294 E CB -0.871 28.848 29.700 0.032 0.000 2.946 294 E HN 0.112 8.521 8.360 0.083 0.000 1.059 295 P HA 0.005 4.467 4.420 0.071 0.000 0.199 295 P C -0.619 176.797 177.300 0.193 0.000 1.169 295 P CA 0.835 63.993 63.100 0.097 0.000 0.900 295 P CB -0.145 31.593 31.700 0.062 0.000 0.733 296 H N -2.160 116.968 119.070 0.097 0.000 4.071 296 H HA -0.211 4.464 4.556 0.199 0.000 0.256 296 H C -0.593 174.879 175.328 0.240 0.000 0.616 296 H CA 0.442 56.580 56.048 0.150 0.000 0.796 296 H CB 0.295 30.098 29.762 0.069 0.000 1.005 296 H HN 0.144 8.533 8.280 0.181 0.000 0.466 297 H N 0.000 119.028 119.070 -0.071 0.000 2.539 297 H HA 0.000 4.604 4.556 0.081 0.000 0.296 297 H CA 0.000 56.051 56.048 0.005 0.000 1.023 297 H CB 0.000 29.742 29.762 -0.034 0.000 1.292 297 H HN 0.000 7.998 8.280 -0.470 0.000 0.496