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 2afp_1_A DATA FIRST_RESID 1 DATA SEQUENCE QRAGPNcPAG WQPLGDRcIY YETTAMTWAL AETNcMKLGG HLASIHSQEE DATA SEQUENCE HSFIQTLNAG VVWIGGSAcL QAGAWTWSDG TPMNFRSWcS TKPDDVLAAc DATA SEQUENCE cMQMTAAADQ cWDDLPcPAS HKSVcAMTF 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 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 1 Q C 0.000 175.994 176.000 -0.009 0.000 1.003 1 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 1 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 2 R N 2.018 122.511 120.500 -0.011 0.000 2.718 2 R HA 0.317 4.648 4.340 -0.016 0.000 0.266 2 R C -1.241 175.047 176.300 -0.020 0.000 1.776 2 R CA -0.103 55.988 56.100 -0.015 0.000 1.567 2 R CB -0.321 29.971 30.300 -0.013 0.000 1.336 2 R HN 0.256 8.520 8.270 -0.011 0.000 0.619 3 A N 1.455 124.262 122.820 -0.023 0.000 2.347 3 A HA 0.142 4.447 4.320 -0.026 0.000 0.287 3 A C -0.280 177.278 177.584 -0.044 0.000 1.199 3 A CA 0.072 52.092 52.037 -0.028 0.000 0.851 3 A CB -0.129 18.857 19.000 -0.024 0.000 1.118 3 A HN 0.248 8.386 8.150 -0.020 0.000 0.525 4 G N 3.503 112.270 108.800 -0.055 0.000 3.247 4 G HA2 -0.017 3.879 3.960 -0.108 0.000 0.243 4 G HA3 -0.017 3.889 3.960 -0.090 0.000 0.243 4 G C -2.069 172.771 174.900 -0.100 0.000 3.838 4 G CA 0.263 45.309 45.100 -0.090 0.000 0.438 4 G HN 0.087 8.350 8.290 -0.046 0.000 0.304 5 P HA 0.151 4.539 4.420 -0.054 0.000 0.212 5 P C -1.108 176.110 177.300 -0.136 0.000 1.171 5 P CA 0.165 63.215 63.100 -0.082 0.000 0.892 5 P CB 0.968 32.639 31.700 -0.049 0.000 0.769 6 N N -3.727 114.835 118.700 -0.230 0.000 2.798 6 N HA -0.040 4.308 4.740 -0.655 0.000 0.341 6 N C -1.284 173.811 175.510 -0.692 0.000 0.704 6 N CA 0.371 53.162 53.050 -0.432 0.000 1.540 6 N CB 0.124 38.594 38.487 -0.028 0.000 1.182 6 N HN -0.064 8.200 8.380 -0.193 0.000 1.597 7 c N 0.342 118.790 118.600 -0.252 0.000 2.347 7 c HA 0.281 4.698 4.570 -0.255 0.000 0.366 7 c C -0.805 173.222 174.090 -0.104 0.000 1.241 7 c CA -2.023 54.212 56.329 -0.157 0.000 2.360 7 c CB -0.250 42.282 42.510 0.038 0.000 2.290 7 c HN 0.111 8.277 8.230 -0.106 0.000 0.587 8 P HA -0.026 4.367 4.420 -0.045 0.000 0.212 8 P C -1.873 175.460 177.300 0.054 0.000 1.171 8 P CA 0.916 64.014 63.100 -0.003 0.000 0.892 8 P CB 0.507 32.218 31.700 0.018 0.000 0.769 9 A N -2.630 120.269 122.820 0.131 0.000 2.569 9 A HA -0.015 4.376 4.320 0.118 0.000 0.292 9 A C -1.454 176.234 177.584 0.175 0.000 1.032 9 A CA 0.346 52.460 52.037 0.128 0.000 0.669 9 A CB 0.605 19.648 19.000 0.071 0.000 1.290 9 A HN -0.969 7.295 8.150 0.190 0.000 0.422 10 G N -1.432 107.432 108.800 0.107 0.000 2.273 10 G HA2 -0.270 3.696 3.960 0.011 0.000 0.280 10 G HA3 -0.270 3.656 3.960 -0.055 0.000 0.280 10 G C -1.405 173.436 174.900 -0.099 0.000 1.047 10 G CA 0.495 45.597 45.100 0.004 0.000 0.869 10 G HN 0.187 8.534 8.290 0.095 0.000 0.502 11 W N -2.349 119.035 121.300 0.139 0.000 3.069 11 W HA 0.158 4.978 4.660 0.266 0.000 0.390 11 W C -1.803 174.923 176.519 0.346 0.000 1.130 11 W CA -0.380 57.106 57.345 0.236 0.000 1.138 11 W CB 2.407 31.921 29.460 0.089 0.000 1.497 11 W HN -0.535 7.811 8.180 0.292 0.010 0.600 12 Q N 0.046 120.344 119.800 0.831 0.000 2.616 12 Q HA 0.450 4.967 4.340 0.295 0.000 0.250 12 Q C -2.457 173.734 176.000 0.318 0.000 0.991 12 Q CA -2.365 53.699 55.803 0.435 0.000 0.707 12 Q CB 2.283 31.191 28.738 0.284 0.000 1.247 12 Q HN 0.242 9.219 8.270 1.178 0.000 0.491 13 P HA 0.269 4.968 4.420 0.161 -0.182 0.218 13 P C -1.490 175.874 177.300 0.108 0.000 1.793 13 P CA -1.258 61.934 63.100 0.152 0.000 0.941 13 P CB -1.043 30.727 31.700 0.116 0.000 1.919 14 L N 1.160 122.442 121.223 0.099 0.000 2.562 14 L HA -0.257 4.116 4.340 0.056 0.000 0.271 14 L C 0.784 177.671 176.870 0.028 0.000 1.167 14 L CA 1.233 56.106 54.840 0.056 0.000 0.917 14 L CB 0.107 42.194 42.059 0.047 0.000 1.187 14 L HN -0.508 7.725 8.230 0.128 0.073 0.482 15 G N 5.201 114.016 108.800 0.026 0.000 4.163 15 G HA2 -0.433 3.534 3.960 0.012 0.000 0.300 15 G HA3 -0.433 3.522 3.960 -0.008 0.000 0.300 15 G C -0.494 174.428 174.900 0.036 0.000 1.488 15 G CA 0.728 45.836 45.100 0.014 0.000 1.052 15 G HN 0.326 8.636 8.290 0.032 0.000 0.687 16 D N 2.445 122.872 120.400 0.044 0.000 2.618 16 D HA 0.085 4.901 4.640 0.120 -0.103 0.278 16 D C 0.574 176.972 176.300 0.164 0.000 1.203 16 D CA 0.058 54.116 54.000 0.097 0.000 1.073 16 D CB 2.203 43.036 40.800 0.055 0.000 1.632 16 D HN -0.155 8.226 8.370 0.018 0.000 0.473 17 R N 0.142 120.663 120.500 0.035 0.000 2.983 17 R HA -0.073 4.195 4.340 -0.121 0.000 0.241 17 R C -1.377 174.966 176.300 0.071 0.000 1.202 17 R CA 0.933 57.014 56.100 -0.031 0.000 1.080 17 R CB 0.988 31.207 30.300 -0.135 0.000 1.019 17 R HN -0.109 8.155 8.270 -0.010 0.000 0.527 18 c N -3.331 115.263 118.600 -0.010 0.000 2.535 18 c HA 0.722 5.533 4.570 0.117 -0.170 0.319 18 c C -1.651 172.451 174.090 0.020 0.000 1.171 18 c CA -0.052 56.293 56.329 0.027 0.000 1.394 18 c CB 1.551 44.006 42.510 -0.092 0.000 1.990 18 c HN -0.141 8.026 8.230 -0.106 0.000 0.466 19 I N 1.720 122.414 120.570 0.207 0.000 3.095 19 I HA 0.239 4.551 4.170 0.236 0.000 0.310 19 I C -3.402 173.047 176.117 0.554 0.000 1.196 19 I CA -0.932 60.540 61.300 0.287 0.000 0.985 19 I CB 4.024 42.122 38.000 0.163 0.000 1.250 19 I HN 0.812 9.176 8.210 0.256 0.000 0.446 20 Y N 2.543 123.035 120.300 0.320 0.000 2.633 20 Y HA 0.418 5.275 4.550 0.260 -0.151 0.339 20 Y C -1.708 174.360 175.900 0.279 0.000 1.045 20 Y CA -2.097 56.168 58.100 0.276 0.000 1.098 20 Y CB 4.893 43.477 38.460 0.206 0.000 1.296 20 Y HN 0.732 9.195 8.280 0.489 0.110 0.494 21 Y N -0.628 119.680 120.300 0.014 0.000 2.604 21 Y HA 0.225 4.962 4.550 0.092 -0.131 0.331 21 Y C -2.288 173.600 175.900 -0.019 0.000 1.158 21 Y CA -0.277 57.841 58.100 0.030 0.000 1.056 21 Y CB 3.990 42.462 38.460 0.020 0.000 1.330 21 Y HN 0.123 8.326 8.280 -0.129 0.000 0.457 22 E N 2.457 122.561 120.200 -0.160 0.000 2.442 22 E HA 0.297 4.692 4.350 0.074 0.000 0.261 22 E C -1.939 174.689 176.600 0.045 0.000 0.935 22 E CA -1.122 55.274 56.400 -0.008 0.000 0.856 22 E CB 3.415 33.086 29.700 -0.048 0.000 1.571 22 E HN 0.184 8.012 8.360 -0.887 0.000 0.431 23 T N -5.241 109.342 114.554 0.049 0.000 3.434 23 T HA 0.103 4.514 4.350 0.100 0.000 0.279 23 T C -0.002 174.724 174.700 0.044 0.000 0.955 23 T CA 0.798 62.942 62.100 0.073 0.000 1.048 23 T CB 0.553 69.470 68.868 0.083 0.000 1.186 23 T HN 0.119 8.378 8.240 0.032 0.000 0.485 24 T N 5.215 119.789 114.554 0.033 0.000 2.908 24 T HA -0.045 4.325 4.350 0.033 0.000 0.301 24 T C 0.238 174.961 174.700 0.037 0.000 1.019 24 T CA -0.912 61.207 62.100 0.031 0.000 1.152 24 T CB 0.373 69.255 68.868 0.024 0.000 0.966 24 T HN -0.207 8.052 8.240 0.031 0.000 0.540 25 A N 9.243 132.090 122.820 0.045 0.000 2.526 25 A HA -0.103 4.267 4.320 0.084 0.000 0.267 25 A C -0.605 177.011 177.584 0.053 0.000 1.095 25 A CA 0.984 53.055 52.037 0.056 0.000 0.775 25 A CB -0.200 18.821 19.000 0.035 0.000 1.036 25 A HN 0.376 8.550 8.150 0.040 0.000 0.510 26 M N 1.264 120.916 119.600 0.086 0.000 2.150 26 M HA 0.233 4.751 4.480 0.063 0.000 0.255 26 M C -1.578 174.818 176.300 0.159 0.000 0.963 26 M CA -0.869 54.481 55.300 0.083 0.000 1.033 26 M CB 0.853 33.480 32.600 0.045 0.000 2.007 26 M HN -0.449 7.791 8.290 0.112 0.118 0.462 27 T N 3.052 117.715 114.554 0.180 0.000 2.726 27 T HA 0.162 4.926 4.350 0.690 0.000 0.294 27 T C 0.867 175.530 174.700 -0.061 0.000 1.013 27 T CA 0.585 62.832 62.100 0.245 0.000 0.996 27 T CB 1.491 70.492 68.868 0.221 0.000 1.016 27 T HN -0.604 7.708 8.240 0.120 0.000 0.529 28 W N 2.788 123.644 121.300 -0.740 0.000 2.238 28 W HA -0.614 3.822 4.660 -0.374 0.000 0.346 28 W C 1.387 177.752 176.519 -0.256 0.000 1.418 28 W CA 5.679 62.689 57.345 -0.558 0.000 1.403 28 W CB -0.219 28.743 29.460 -0.830 0.000 1.083 28 W HN 0.750 8.117 8.180 -1.356 0.000 0.474 29 A N -3.784 119.091 122.820 0.091 0.000 1.865 29 A HA -0.376 4.016 4.320 0.120 0.000 0.217 29 A C 2.213 179.818 177.584 0.035 0.000 1.191 29 A CA 2.645 54.723 52.037 0.068 0.000 0.623 29 A CB -0.631 18.375 19.000 0.010 0.000 0.826 29 A HN 0.044 8.195 8.150 0.003 0.000 0.444 30 L N -2.060 119.172 121.223 0.015 0.000 2.072 30 L HA -0.370 3.975 4.340 0.007 0.000 0.205 30 L C 2.312 179.177 176.870 -0.007 0.000 1.079 30 L CA 2.537 57.382 54.840 0.008 0.000 0.752 30 L CB -0.157 41.913 42.059 0.017 0.000 0.906 30 L HN -0.412 7.826 8.230 0.012 0.000 0.436 31 A N -0.985 121.822 122.820 -0.021 0.000 1.825 31 A HA -0.301 3.998 4.320 -0.036 0.000 0.214 31 A C 1.615 179.140 177.584 -0.098 0.000 1.206 31 A CA 2.945 54.948 52.037 -0.057 0.000 0.609 31 A CB -1.065 17.893 19.000 -0.070 0.000 0.851 31 A HN 0.808 8.821 8.150 -0.011 0.131 0.445 32 E N -1.224 118.874 120.200 -0.170 0.000 2.108 32 E HA -0.436 3.772 4.350 -0.237 0.000 0.203 32 E C 2.257 178.835 176.600 -0.036 0.000 1.022 32 E CA 3.571 59.871 56.400 -0.166 0.000 0.823 32 E CB -0.541 29.083 29.700 -0.126 0.000 0.744 32 E HN 0.201 8.330 8.360 -0.222 0.098 0.456 33 T N 0.789 115.345 114.554 0.002 0.000 2.622 33 T HA -0.287 4.078 4.350 0.026 0.000 0.266 33 T C 1.952 176.640 174.700 -0.020 0.000 1.047 33 T CA 5.181 67.286 62.100 0.009 0.000 1.159 33 T CB -0.555 68.321 68.868 0.013 0.000 0.863 33 T HN -0.601 7.643 8.240 0.013 0.004 0.422 34 N N 0.940 119.618 118.700 -0.036 0.000 2.166 34 N HA -0.260 4.444 4.740 -0.060 0.000 0.186 34 N C 1.859 177.308 175.510 -0.101 0.000 1.019 34 N CA 3.535 56.547 53.050 -0.063 0.000 0.856 34 N CB 0.083 38.537 38.487 -0.055 0.000 0.993 34 N HN -0.588 7.774 8.380 -0.030 0.000 0.426 35 c N 1.131 119.677 118.600 -0.089 0.000 2.429 35 c HA -0.440 4.030 4.570 -0.167 0.000 0.277 35 c C 1.538 175.603 174.090 -0.042 0.000 1.262 35 c CA 3.816 60.088 56.329 -0.095 0.000 1.733 35 c CB -1.588 40.878 42.510 -0.072 0.000 2.010 35 c HN 0.742 8.737 8.230 -0.073 0.191 0.483 36 M N 0.241 119.831 119.600 -0.016 0.000 2.080 36 M HA -0.476 4.036 4.480 0.053 0.000 0.260 36 M C 2.237 178.547 176.300 0.017 0.000 1.068 36 M CA 3.994 59.308 55.300 0.024 0.000 1.109 36 M CB 0.128 32.748 32.600 0.033 0.000 1.342 36 M HN 0.417 8.494 8.290 -0.026 0.197 0.405 37 K N -2.598 117.790 120.400 -0.021 0.000 2.211 37 K HA -0.266 4.049 4.320 -0.008 0.000 0.204 37 K C 1.933 178.499 176.600 -0.055 0.000 1.047 37 K CA 2.399 58.666 56.287 -0.034 0.000 0.935 37 K CB -0.369 32.098 32.500 -0.056 0.000 0.728 37 K HN -0.599 7.632 8.250 -0.032 0.000 0.452 38 L N -3.780 117.369 121.223 -0.123 0.000 2.023 38 L HA -0.166 3.966 4.340 -0.347 0.000 0.205 38 L C 0.346 177.367 176.870 0.251 0.000 1.073 38 L CA 1.264 55.956 54.840 -0.246 0.000 0.745 38 L CB 1.090 42.684 42.059 -0.774 0.000 0.900 38 L HN -0.890 7.126 8.230 -0.130 0.136 0.435 39 G N -4.561 104.452 108.800 0.356 0.000 2.403 39 G HA2 -0.142 3.926 3.960 0.180 0.000 0.393 39 G HA3 -0.142 4.040 3.960 0.370 0.000 0.393 39 G C -1.490 173.560 174.900 0.251 0.000 1.106 39 G CA -0.321 44.979 45.100 0.333 0.000 1.305 39 G HN -0.251 8.164 8.290 0.209 0.000 0.628 40 G N 2.327 111.207 108.800 0.133 0.000 2.566 40 G HA2 0.180 4.085 3.960 -0.091 0.000 0.138 40 G HA3 0.180 4.075 3.960 -0.108 0.000 0.138 40 G C -2.582 172.330 174.900 0.020 0.000 1.133 40 G CA 0.277 45.352 45.100 -0.041 0.000 1.037 40 G HN -0.366 8.006 8.290 0.137 0.000 0.491 41 H N -4.435 114.636 119.070 0.002 0.000 2.838 41 H HA 0.274 4.782 4.556 -0.081 0.000 0.269 41 H C -1.760 173.516 175.328 -0.087 0.000 1.463 41 H CA -0.710 55.300 56.048 -0.063 0.000 1.141 41 H CB 0.827 30.548 29.762 -0.069 0.000 1.821 41 H HN -0.425 7.585 8.280 -0.450 0.000 0.544 42 L N 0.760 122.034 121.223 0.085 0.000 2.562 42 L HA -0.015 4.465 4.340 -0.042 -0.165 0.271 42 L C 0.663 177.608 176.870 0.126 0.000 1.167 42 L CA 0.522 55.377 54.840 0.025 0.000 0.917 42 L CB -0.601 41.427 42.059 -0.051 0.000 1.187 42 L HN 0.308 8.565 8.230 0.046 0.000 0.482 43 A N 6.001 128.839 122.820 0.029 0.000 2.433 43 A HA -0.227 4.054 4.320 -0.066 0.000 0.250 43 A C -1.396 176.213 177.584 0.042 0.000 1.113 43 A CA 0.988 53.033 52.037 0.014 0.000 0.794 43 A CB 0.548 19.586 19.000 0.063 0.000 1.067 43 A HN 0.547 8.586 8.150 0.017 0.122 0.510 44 S N -2.809 112.903 115.700 0.021 0.000 2.840 44 S HA 0.623 5.241 4.470 0.248 0.000 0.307 44 S C -1.342 173.389 174.600 0.219 0.000 1.180 44 S CA -0.616 57.637 58.200 0.088 0.000 0.846 44 S CB 3.051 66.071 63.200 -0.300 0.000 1.233 44 S HN -0.181 8.137 8.310 0.013 0.000 0.548 45 I N -2.296 118.474 120.570 0.333 0.000 2.828 45 I HA 0.428 4.768 4.170 0.284 0.000 0.302 45 I C -1.775 174.554 176.117 0.353 0.000 1.101 45 I CA -0.669 60.830 61.300 0.332 0.000 1.031 45 I CB 2.992 41.214 38.000 0.369 0.000 1.231 45 I HN 0.276 8.758 8.210 0.454 0.000 0.427 46 H N 1.751 120.926 119.070 0.175 0.000 2.192 46 H HA 0.137 4.785 4.556 0.153 0.000 0.176 46 H C 0.117 175.455 175.328 0.016 0.000 0.901 46 H CA 1.100 57.215 56.048 0.112 0.000 0.923 46 H CB 1.809 31.616 29.762 0.076 0.000 1.057 46 H HN 0.157 8.606 8.280 0.281 0.000 0.394 47 S N 0.689 116.495 115.700 0.176 0.000 2.555 47 S HA -0.122 4.383 4.470 0.058 0.000 0.230 47 S C 0.426 175.011 174.600 -0.025 0.000 0.978 47 S CA 1.982 60.222 58.200 0.067 0.000 0.934 47 S CB 0.054 63.299 63.200 0.074 0.000 0.766 47 S HN -0.125 8.317 8.310 0.220 0.000 0.533 48 Q N -2.173 117.639 119.800 0.019 0.000 2.645 48 Q HA -0.545 4.002 4.340 0.345 0.000 0.188 48 Q C 0.895 177.058 176.000 0.272 0.000 2.862 48 Q CA 2.539 58.392 55.803 0.083 0.000 0.227 48 Q CB -1.855 26.655 28.738 -0.380 0.000 0.207 48 Q HN 0.177 8.445 8.270 0.106 0.066 0.418 49 E N -0.160 120.133 120.200 0.155 0.000 2.219 49 E HA -0.304 4.177 4.350 0.219 0.000 0.198 49 E C 1.729 178.471 176.600 0.237 0.000 0.998 49 E CA 3.005 59.517 56.400 0.186 0.000 0.818 49 E CB -0.407 29.360 29.700 0.110 0.000 0.741 49 E HN -0.049 8.275 8.360 0.065 0.075 0.477 50 E N -3.127 117.202 120.200 0.215 0.000 2.150 50 E HA -0.297 4.143 4.350 0.151 0.000 0.193 50 E C 2.242 179.055 176.600 0.356 0.000 0.985 50 E CA 2.609 59.137 56.400 0.213 0.000 0.814 50 E CB -0.664 29.122 29.700 0.142 0.000 0.752 50 E HN 0.424 8.864 8.360 0.181 0.030 0.466 51 H N 0.458 119.713 119.070 0.309 0.000 2.353 51 H HA -0.188 4.550 4.556 0.303 0.000 0.300 51 H C 2.337 177.866 175.328 0.336 0.000 1.090 51 H CA 2.790 59.050 56.048 0.354 0.000 1.327 51 H CB -0.027 30.040 29.762 0.509 0.000 1.383 51 H HN 0.002 8.424 8.280 0.490 0.152 0.508 52 S N -1.142 114.762 115.700 0.341 0.000 2.400 52 S HA -0.365 4.210 4.470 0.176 0.000 0.232 52 S C 1.746 176.441 174.600 0.160 0.000 1.025 52 S CA 3.361 61.694 58.200 0.222 0.000 0.993 52 S CB -0.228 63.118 63.200 0.243 0.000 0.808 52 S HN -0.496 7.978 8.310 0.430 0.095 0.478 53 F N 1.831 121.815 119.950 0.058 0.000 2.025 53 F HA -0.353 4.174 4.527 0.000 0.000 0.297 53 F C 1.366 177.155 175.800 -0.019 0.000 1.132 53 F CA 3.924 61.934 58.000 0.017 0.000 1.191 53 F CB -0.079 38.946 39.000 0.041 0.000 0.963 53 F HN -0.826 7.567 8.300 0.409 0.153 0.481 54 I N -5.632 115.033 120.570 0.159 0.000 2.361 54 I HA -0.526 3.738 4.170 0.156 0.000 0.251 54 I C 1.775 177.872 176.117 -0.033 0.000 1.133 54 I CA 3.006 64.372 61.300 0.110 0.000 1.413 54 I CB -0.702 37.400 38.000 0.170 0.000 1.073 54 I HN -0.839 7.546 8.210 0.292 0.000 0.424 55 Q N 0.045 119.784 119.800 -0.102 0.000 2.230 55 Q HA -0.162 4.118 4.340 -0.100 0.000 0.202 55 Q C 2.309 178.258 176.000 -0.085 0.000 0.963 55 Q CA 2.862 58.604 55.803 -0.100 0.000 0.866 55 Q CB -0.181 28.504 28.738 -0.089 0.000 0.931 55 Q HN -0.371 7.736 8.270 -0.101 0.102 0.452 56 T N 0.202 114.682 114.554 -0.125 0.000 2.951 56 T HA -0.179 4.113 4.350 -0.096 0.000 0.268 56 T C 1.250 175.825 174.700 -0.209 0.000 1.073 56 T CA 3.014 65.019 62.100 -0.158 0.000 1.134 56 T CB -0.133 68.611 68.868 -0.207 0.000 0.884 56 T HN 0.234 8.172 8.240 -0.127 0.226 0.479 57 L N -0.846 120.212 121.223 -0.276 0.000 2.044 57 L HA -0.172 3.982 4.340 -0.311 0.000 0.205 57 L C 0.119 176.928 176.870 -0.101 0.000 1.075 57 L CA 1.590 56.265 54.840 -0.274 0.000 0.747 57 L CB 0.767 42.551 42.059 -0.459 0.000 0.903 57 L HN -0.623 7.312 8.230 -0.291 0.120 0.435 58 N N -3.597 115.083 118.700 -0.033 0.000 3.107 58 N HA -0.366 4.368 4.740 -0.011 0.000 0.284 58 N C -1.410 174.120 175.510 0.034 0.000 1.807 58 N CA 1.120 54.166 53.050 -0.008 0.000 1.776 58 N CB -0.267 38.201 38.487 -0.031 0.000 0.810 58 N HN -0.500 7.862 8.380 -0.031 0.000 0.519 59 A N 0.048 122.898 122.820 0.050 0.000 2.716 59 A HA 0.136 4.487 4.320 0.051 0.000 0.197 59 A C -1.766 175.844 177.584 0.043 0.000 1.118 59 A CA -0.400 51.677 52.037 0.066 0.000 1.293 59 A CB 1.026 20.109 19.000 0.138 0.000 1.198 59 A HN 0.271 8.437 8.150 0.026 0.000 0.506 60 G N -1.923 106.878 108.800 0.002 0.000 2.337 60 G HA2 -0.224 3.731 3.960 -0.008 0.000 0.197 60 G HA3 -0.224 3.798 3.960 0.104 0.000 0.197 60 G C -1.571 173.191 174.900 -0.230 0.000 1.238 60 G CA -0.576 44.512 45.100 -0.020 0.000 1.119 60 G HN -0.589 7.691 8.290 -0.017 0.000 0.514 61 V N -0.561 119.053 119.914 -0.501 0.000 3.109 61 V HA 0.071 3.903 4.120 -0.481 0.000 0.317 61 V C -0.222 175.630 176.094 -0.404 0.000 1.074 61 V CA -0.825 61.094 62.300 -0.635 0.000 1.033 61 V CB 1.614 32.731 31.823 -1.177 0.000 1.111 61 V HN -0.351 7.571 8.190 -0.447 0.000 0.458 62 V N -0.160 119.496 119.914 -0.430 0.000 2.443 62 V HA 0.342 4.346 4.120 -0.194 0.000 0.293 62 V C -0.189 175.741 176.094 -0.273 0.000 1.021 62 V CA -0.890 61.245 62.300 -0.275 0.000 0.848 62 V CB 1.605 33.327 31.823 -0.167 0.000 0.998 62 V HN -0.178 7.724 8.190 -0.479 0.000 0.424 63 W N 8.186 129.480 121.300 -0.010 0.000 2.510 63 W HA -0.035 4.706 4.660 0.136 0.000 0.388 63 W C -0.816 175.732 176.519 0.050 0.000 1.092 63 W CA -0.140 57.239 57.345 0.055 0.000 1.562 63 W CB -0.538 28.913 29.460 -0.016 0.000 1.603 63 W HN 0.469 8.693 8.180 0.073 0.000 0.396 64 I N 2.851 123.582 120.570 0.268 0.000 2.563 64 I HA 0.112 4.538 4.170 0.428 0.000 0.285 64 I C -1.232 175.075 176.117 0.318 0.000 1.123 64 I CA -0.458 61.043 61.300 0.334 0.000 1.059 64 I CB 1.354 39.501 38.000 0.245 0.000 1.229 64 I HN -0.301 7.994 8.210 0.142 0.000 0.442 65 G N 5.209 114.313 108.800 0.506 0.000 3.847 65 G HA2 -0.021 3.685 3.960 -0.424 0.000 0.189 65 G HA3 -0.021 3.926 3.960 -0.023 0.000 0.189 65 G C -1.060 173.981 174.900 0.236 0.000 0.907 65 G CA 0.751 45.892 45.100 0.069 0.000 0.893 65 G HN 0.670 9.400 8.290 0.733 0.000 0.379 66 G N -0.398 108.726 108.800 0.540 0.000 2.204 66 G HA2 -0.149 4.241 3.960 0.624 0.000 0.153 66 G HA3 -0.149 4.410 3.960 0.465 -0.320 0.153 66 G C -2.658 172.555 174.900 0.522 0.000 1.295 66 G CA -0.223 45.212 45.100 0.558 0.000 1.257 66 G HN -0.805 7.853 8.290 0.614 0.000 0.495 67 S N 0.937 116.867 115.700 0.385 0.000 2.586 67 S HA 0.220 5.019 4.470 0.415 -0.080 0.277 67 S C -2.728 171.580 174.600 -0.485 0.000 1.131 67 S CA -0.075 58.192 58.200 0.112 0.000 0.848 67 S CB 1.499 64.614 63.200 -0.141 0.000 1.091 67 S HN -0.092 8.415 8.310 0.327 0.000 0.453 68 A N 2.536 124.801 122.820 -0.924 0.000 2.509 68 A HA 0.423 4.288 4.320 -0.757 0.000 0.282 68 A C -2.555 174.667 177.584 -0.603 0.000 1.054 68 A CA 0.621 51.971 52.037 -1.145 0.000 0.820 68 A CB 2.027 19.510 19.000 -2.528 0.000 1.333 68 A HN 0.332 8.166 8.150 -0.527 0.000 0.409 69 c N 2.936 121.317 118.600 -0.365 0.000 3.890 69 c HA 0.246 4.712 4.570 -0.174 0.000 0.339 69 c C -1.712 172.280 174.090 -0.163 0.000 2.844 69 c CA 0.426 56.631 56.329 -0.206 0.000 1.581 69 c CB -1.120 41.302 42.510 -0.147 0.000 3.177 69 c HN 0.572 8.587 8.230 -0.357 0.000 0.350 70 L N 0.062 121.175 121.223 -0.183 0.000 3.449 70 L HA 0.173 4.450 4.340 -0.105 0.000 0.347 70 L C -1.906 174.888 176.870 -0.126 0.000 1.333 70 L CA 0.895 55.656 54.840 -0.132 0.000 0.905 70 L CB -0.147 41.839 42.059 -0.122 0.000 1.348 70 L HN -0.150 7.935 8.230 -0.242 0.000 0.611 71 Q N -0.501 119.212 119.800 -0.144 0.000 2.814 71 Q HA 0.158 4.444 4.340 -0.091 0.000 0.322 71 Q C -1.278 174.661 176.000 -0.102 0.000 0.888 71 Q CA -0.269 55.461 55.803 -0.121 0.000 0.768 71 Q CB 2.479 31.129 28.738 -0.147 0.000 1.443 71 Q HN -0.360 7.811 8.270 -0.165 0.000 0.497 72 A N 0.634 123.410 122.820 -0.074 0.000 2.654 72 A HA 0.229 4.525 4.320 -0.040 0.000 0.345 72 A C 0.102 177.667 177.584 -0.031 0.000 1.368 72 A CA -0.358 51.653 52.037 -0.044 0.000 0.895 72 A CB -0.994 17.991 19.000 -0.025 0.000 1.143 72 A HN 0.370 8.478 8.150 -0.070 0.000 0.490 73 G N 2.675 111.456 108.800 -0.031 0.000 2.422 73 G HA2 -0.334 3.671 3.960 0.074 0.000 0.290 73 G HA3 -0.334 3.652 3.960 0.043 0.000 0.290 73 G C -1.453 173.444 174.900 -0.005 0.000 1.059 73 G CA 0.081 45.194 45.100 0.022 0.000 1.242 73 G HN 0.371 8.631 8.290 -0.050 0.000 0.520 74 A N 1.526 124.279 122.820 -0.111 0.000 2.679 74 A HA 0.187 4.502 4.320 -0.008 0.000 0.288 74 A C -1.517 175.924 177.584 -0.239 0.000 1.160 74 A CA -0.342 51.629 52.037 -0.110 0.000 0.763 74 A CB 1.420 20.347 19.000 -0.121 0.000 1.270 74 A HN -0.080 7.928 8.150 -0.236 0.000 0.417 75 W N 2.147 123.434 121.300 -0.022 0.000 2.429 75 W HA 0.098 4.744 4.660 -0.024 0.000 0.314 75 W C -0.565 175.922 176.519 -0.054 0.000 1.062 75 W CA -0.237 57.086 57.345 -0.035 0.000 1.211 75 W CB 1.401 30.833 29.460 -0.047 0.000 1.305 75 W HN -0.197 8.110 8.180 0.212 0.000 0.476 76 T N -1.774 112.906 114.554 0.209 0.000 2.696 76 T HA 0.545 4.921 4.350 0.042 0.000 0.291 76 T C -1.785 173.004 174.700 0.148 0.000 1.095 76 T CA -1.453 60.715 62.100 0.113 0.000 1.026 76 T CB 2.351 71.281 68.868 0.103 0.000 1.390 76 T HN 0.206 8.581 8.240 0.224 0.000 0.513 77 W N 0.148 121.534 121.300 0.143 0.000 1.645 77 W HA 0.021 4.970 4.660 0.164 -0.191 0.351 77 W C 2.297 178.903 176.519 0.145 0.000 1.568 77 W CA 0.306 57.731 57.345 0.135 0.000 1.739 77 W CB 1.056 30.560 29.460 0.074 0.000 1.441 77 W HN 0.007 8.202 8.180 0.256 0.139 0.759 78 S N -1.419 114.643 115.700 0.604 0.000 2.387 78 S HA -0.318 4.465 4.470 0.521 0.000 0.230 78 S C 0.056 174.809 174.600 0.255 0.000 1.035 78 S CA 2.679 61.127 58.200 0.414 0.000 1.014 78 S CB 0.173 63.534 63.200 0.268 0.000 0.836 78 S HN 0.521 9.272 8.310 0.735 0.000 0.466 79 D N -4.521 115.984 120.400 0.176 0.000 3.120 79 D HA 0.117 4.821 4.640 0.106 0.000 0.331 79 D C -0.996 175.361 176.300 0.096 0.000 1.595 79 D CA 0.359 54.423 54.000 0.106 0.000 0.771 79 D CB 0.132 40.968 40.800 0.059 0.000 1.274 79 D HN -0.509 7.960 8.370 0.183 0.011 0.503 80 G N -1.849 107.053 108.800 0.170 0.000 3.321 80 G HA2 0.008 4.031 3.960 0.104 0.000 0.169 80 G HA3 0.008 4.070 3.960 0.169 0.000 0.169 80 G C -1.888 173.130 174.900 0.196 0.000 1.153 80 G CA 0.069 45.267 45.100 0.162 0.000 1.007 80 G HN -0.376 8.065 8.290 0.253 0.000 0.668 81 T N -0.845 113.863 114.554 0.256 0.000 2.922 81 T HA 0.548 4.978 4.350 0.134 0.000 0.281 81 T C -1.632 173.170 174.700 0.171 0.000 1.005 81 T CA -2.983 59.234 62.100 0.194 0.000 0.982 81 T CB 0.227 69.193 68.868 0.164 0.000 1.158 81 T HN -0.349 8.074 8.240 0.306 0.000 0.566 82 P HA 0.190 4.385 4.420 -0.374 0.000 0.282 82 P C -1.001 176.191 177.300 -0.180 0.000 1.287 82 P CA -0.776 62.219 63.100 -0.175 0.000 0.792 82 P CB 1.321 32.984 31.700 -0.061 0.000 1.163 83 M N -0.737 118.673 119.600 -0.316 0.000 2.532 83 M HA 0.171 4.734 4.480 0.137 0.000 0.257 83 M C -1.436 174.859 176.300 -0.008 0.000 0.941 83 M CA -0.829 54.430 55.300 -0.067 0.000 1.206 83 M CB 1.721 34.259 32.600 -0.103 0.000 1.472 83 M HN 0.107 8.140 8.290 -0.428 0.000 0.665 84 N N -1.710 117.028 118.700 0.065 0.000 3.344 84 N HA 0.160 4.923 4.740 0.039 0.000 0.296 84 N C -1.468 174.151 175.510 0.181 0.000 1.571 84 N CA -0.510 52.590 53.050 0.083 0.000 0.844 84 N CB 2.125 40.662 38.487 0.084 0.000 1.718 84 N HN -0.023 8.429 8.380 0.120 0.000 0.589 85 F N 0.753 120.694 119.950 -0.015 0.000 2.111 85 F HA -0.328 4.172 4.527 -0.046 0.000 0.433 85 F C -2.286 173.549 175.800 0.058 0.000 1.193 85 F CA 0.743 58.733 58.000 -0.016 0.000 1.413 85 F CB 0.628 39.608 39.000 -0.034 0.000 2.218 85 F HN 0.148 8.541 8.300 0.155 0.000 0.736 86 R N 3.499 123.701 120.500 -0.497 0.000 2.754 86 R HA 0.140 4.087 4.340 -0.654 0.000 0.244 86 R C -2.083 174.003 176.300 -0.356 0.000 1.173 86 R CA -0.314 55.545 56.100 -0.401 0.000 0.840 86 R CB 0.211 30.540 30.300 0.049 0.000 1.440 86 R HN 0.013 8.102 8.270 -0.301 0.000 0.338 87 S N 1.337 116.639 115.700 -0.663 0.000 2.624 87 S HA 0.301 4.615 4.470 -0.260 0.000 0.246 87 S C -0.129 174.176 174.600 -0.492 0.000 1.072 87 S CA -0.527 57.412 58.200 -0.435 0.000 1.045 87 S CB 0.402 63.404 63.200 -0.330 0.000 0.851 87 S HN 0.207 7.847 8.310 -1.118 0.000 0.480 88 W N 1.013 122.079 121.300 -0.389 0.000 2.380 88 W HA -0.123 4.317 4.660 -0.368 0.000 0.317 88 W C 0.002 176.317 176.519 -0.340 0.000 1.196 88 W CA 0.766 57.834 57.345 -0.461 0.000 1.307 88 W CB -0.066 28.860 29.460 -0.889 0.000 1.157 88 W HN -0.369 7.448 8.180 -0.485 0.071 0.483 89 c N -7.063 111.489 118.600 -0.079 0.000 3.316 89 c HA 0.159 4.683 4.570 -0.078 0.000 0.360 89 c C -0.566 173.482 174.090 -0.069 0.000 1.560 89 c CA -2.243 54.037 56.329 -0.082 0.000 1.229 89 c CB 0.326 42.782 42.510 -0.090 0.000 1.823 89 c HN -0.586 7.598 8.230 -0.077 0.000 0.440 90 S N 0.455 116.123 115.700 -0.054 0.000 2.592 90 S HA -0.028 4.417 4.470 -0.041 0.000 0.256 90 S C 0.093 174.672 174.600 -0.034 0.000 1.369 90 S CA 0.441 58.617 58.200 -0.040 0.000 0.984 90 S CB 0.794 63.975 63.200 -0.031 0.000 0.919 90 S HN 0.043 8.321 8.310 -0.052 0.000 0.576 91 T N -0.152 114.385 114.554 -0.027 0.000 2.903 91 T HA -0.006 4.327 4.350 -0.028 0.000 0.314 91 T C 0.276 174.960 174.700 -0.026 0.000 1.078 91 T CA -0.131 61.953 62.100 -0.026 0.000 1.114 91 T CB 0.446 69.301 68.868 -0.021 0.000 0.987 91 T HN -0.069 8.156 8.240 -0.025 0.000 0.548 92 K N 1.144 121.521 120.400 -0.039 0.000 2.414 92 K HA 0.060 4.366 4.320 -0.023 0.000 0.272 92 K C -1.250 175.340 176.600 -0.017 0.000 0.993 92 K CA -1.244 55.021 56.287 -0.037 0.000 0.964 92 K CB -0.476 31.972 32.500 -0.086 0.000 0.925 92 K HN -0.033 8.182 8.250 -0.057 0.000 0.487 93 P HA 0.143 4.570 4.420 0.011 0.000 0.284 93 P C -0.779 176.539 177.300 0.030 0.000 1.253 93 P CA -0.032 63.076 63.100 0.013 0.000 0.800 93 P CB 0.226 31.933 31.700 0.012 0.000 0.961 94 D N 0.263 120.686 120.400 0.038 0.000 9.143 94 D HA -0.337 4.334 4.640 0.052 0.000 0.348 94 D C -1.399 174.955 176.300 0.089 0.000 2.867 94 D CA 1.320 55.354 54.000 0.056 0.000 2.085 94 D CB 0.527 41.360 40.800 0.055 0.000 1.165 94 D HN -0.031 8.358 8.370 0.031 0.000 1.153 95 D N -2.211 118.256 120.400 0.113 0.000 3.941 95 D HA -0.038 4.747 4.640 0.243 0.000 0.254 95 D C -1.202 175.182 176.300 0.140 0.000 1.536 95 D CA 0.153 54.264 54.000 0.186 0.000 0.788 95 D CB 0.235 41.171 40.800 0.226 0.000 1.432 95 D HN 0.071 8.495 8.370 0.089 0.000 0.733 96 V N -3.184 116.789 119.914 0.098 0.000 3.438 96 V HA 0.384 4.530 4.120 0.044 0.000 0.298 96 V C 0.501 176.626 176.094 0.052 0.000 1.148 96 V CA -2.106 60.229 62.300 0.058 0.000 0.994 96 V CB 0.911 32.759 31.823 0.042 0.000 1.236 96 V HN -0.751 7.497 8.190 0.097 0.000 0.455 97 L N -1.169 120.068 121.223 0.023 0.000 2.261 97 L HA -0.070 4.268 4.340 -0.003 0.000 0.216 97 L C 1.612 178.499 176.870 0.029 0.000 1.114 97 L CA 1.810 56.657 54.840 0.011 0.000 0.777 97 L CB -0.455 41.601 42.059 -0.004 0.000 0.910 97 L HN 0.225 8.464 8.230 0.015 0.000 0.440 98 A N -2.687 120.159 122.820 0.043 0.000 2.084 98 A HA -0.197 4.146 4.320 0.040 0.000 0.221 98 A C -0.430 177.198 177.584 0.073 0.000 1.161 98 A CA 1.661 53.729 52.037 0.052 0.000 0.653 98 A CB -0.327 18.705 19.000 0.054 0.000 0.802 98 A HN -0.333 7.792 8.150 0.042 0.050 0.457 99 A N -6.527 116.353 122.820 0.099 0.000 2.381 99 A HA 0.198 4.660 4.320 0.129 -0.064 0.299 99 A C -2.176 175.502 177.584 0.157 0.000 1.049 99 A CA -0.665 51.459 52.037 0.145 0.000 0.715 99 A CB 1.821 20.934 19.000 0.188 0.000 1.222 99 A HN -0.606 7.557 8.150 0.096 0.044 0.428 100 c N 0.120 118.792 118.600 0.119 0.000 2.735 100 c HA 0.395 5.169 4.570 0.010 -0.197 0.444 100 c C -0.438 173.703 174.090 0.086 0.000 1.331 100 c CA -0.825 55.527 56.329 0.038 0.000 2.225 100 c CB 1.191 43.661 42.510 -0.067 0.000 2.917 100 c HN 0.018 8.315 8.230 0.112 0.000 0.567 101 c N 2.958 121.627 118.600 0.115 0.000 2.239 101 c HA 0.549 5.147 4.570 0.048 0.000 0.325 101 c C -0.367 174.017 174.090 0.490 0.000 1.231 101 c CA -0.652 55.759 56.329 0.137 0.000 1.652 101 c CB -0.546 41.837 42.510 -0.212 0.000 2.284 101 c HN -0.289 8.010 8.230 0.114 0.000 0.499 102 M N 4.646 124.567 119.600 0.536 0.000 2.231 102 M HA -0.202 4.348 4.480 0.116 0.000 0.299 102 M C -1.568 174.958 176.300 0.376 0.000 1.076 102 M CA 0.890 56.362 55.300 0.285 0.000 1.152 102 M CB 0.551 33.181 32.600 0.050 0.000 1.414 102 M HN 0.366 9.022 8.290 0.610 0.000 0.439 103 Q N -0.765 119.063 119.800 0.047 0.000 2.503 103 Q HA 0.175 4.385 4.340 -0.216 0.000 0.268 103 Q C -2.456 173.387 176.000 -0.263 0.000 0.982 103 Q CA -0.096 55.594 55.803 -0.189 0.000 0.907 103 Q CB 4.116 32.639 28.738 -0.358 0.000 1.467 103 Q HN 0.073 8.307 8.270 -0.061 0.000 0.394 104 M N 5.707 125.064 119.600 -0.405 0.000 2.065 104 M HA 0.370 4.754 4.480 -0.159 0.000 0.308 104 M C -0.585 175.534 176.300 -0.302 0.000 0.939 104 M CA -1.256 53.784 55.300 -0.432 0.000 0.890 104 M CB 1.931 33.836 32.600 -1.159 0.000 1.383 104 M HN 0.335 8.340 8.290 -0.474 0.000 0.381 105 T N 1.753 116.222 114.554 -0.143 0.000 2.701 105 T HA -0.145 3.994 4.350 -0.352 0.000 0.354 105 T C -0.558 174.093 174.700 -0.081 0.000 1.085 105 T CA 0.805 62.798 62.100 -0.178 0.000 1.094 105 T CB 0.263 69.069 68.868 -0.103 0.000 1.010 105 T HN 0.057 8.250 8.240 -0.079 0.000 0.548 106 A N -0.477 122.259 122.820 -0.139 0.000 3.253 106 A HA 0.221 4.531 4.320 -0.017 0.000 0.290 106 A C -1.027 176.514 177.584 -0.072 0.000 0.950 106 A CA -0.206 51.779 52.037 -0.086 0.000 0.986 106 A CB 0.305 19.227 19.000 -0.130 0.000 1.104 106 A HN 0.416 8.443 8.150 -0.205 0.000 0.481 107 A N -2.415 120.370 122.820 -0.058 0.000 2.252 107 A HA 0.166 4.460 4.320 -0.045 0.000 0.213 107 A C 0.293 177.853 177.584 -0.040 0.000 1.188 107 A CA 1.096 53.105 52.037 -0.047 0.000 0.863 107 A CB -0.089 18.886 19.000 -0.043 0.000 0.893 107 A HN -0.180 7.938 8.150 -0.052 0.000 0.495 108 A N -2.875 119.915 122.820 -0.051 0.000 3.617 108 A HA -0.296 3.995 4.320 -0.049 0.000 0.233 108 A C -0.843 176.708 177.584 -0.054 0.000 0.775 108 A CA 1.522 53.534 52.037 -0.042 0.000 1.591 108 A CB -1.508 17.483 19.000 -0.014 0.000 1.021 108 A HN -0.069 8.005 8.150 -0.060 0.040 0.691 109 D N -2.069 118.298 120.400 -0.054 0.000 2.469 109 D HA 0.045 4.649 4.640 -0.059 0.000 0.213 109 D C 0.412 176.671 176.300 -0.068 0.000 1.135 109 D CA 0.054 54.020 54.000 -0.055 0.000 0.834 109 D CB 0.579 41.358 40.800 -0.034 0.000 1.009 109 D HN 0.318 8.545 8.370 -0.048 0.114 0.507 110 Q N -0.716 119.041 119.800 -0.070 0.000 2.079 110 Q HA -0.104 4.209 4.340 -0.045 0.000 0.200 110 Q C -0.441 175.513 176.000 -0.076 0.000 0.974 110 Q CA 1.438 57.207 55.803 -0.057 0.000 0.840 110 Q CB 0.475 29.186 28.738 -0.045 0.000 0.898 110 Q HN -0.138 8.172 8.270 -0.069 -0.081 0.430 111 c N -2.511 115.995 118.600 -0.158 0.000 0.168 111 c HA -0.284 3.828 4.570 -0.762 0.000 0.017 111 c C -0.809 173.291 174.090 0.017 0.000 0.171 111 c CA -0.102 56.031 56.329 -0.327 0.000 0.499 111 c CB -0.255 42.104 42.510 -0.251 0.000 3.212 111 c HN -0.273 7.855 8.230 -0.171 0.000 1.118 112 W N 0.762 121.924 121.300 -0.230 0.000 2.170 112 W HA -0.311 4.198 4.660 -0.251 0.000 0.342 112 W C -0.992 175.428 176.519 -0.165 0.000 1.294 112 W CA -0.001 57.210 57.345 -0.223 0.000 1.246 112 W CB 0.714 30.040 29.460 -0.224 0.000 1.156 112 W HN 0.373 8.131 8.180 -0.703 0.000 0.572 113 D N 0.538 120.998 120.400 0.099 0.000 2.521 113 D HA 0.142 4.783 4.640 0.001 0.000 0.195 113 D C -1.524 174.761 176.300 -0.025 0.000 1.286 113 D CA 0.002 54.010 54.000 0.013 0.000 0.854 113 D CB 3.293 44.102 40.800 0.014 0.000 1.723 113 D HN 0.356 8.762 8.370 0.059 0.000 0.550 114 D N 1.466 121.837 120.400 -0.047 0.000 2.370 114 D HA 0.135 4.855 4.640 -0.019 -0.091 0.235 114 D C -0.901 175.457 176.300 0.096 0.000 1.228 114 D CA 1.877 55.877 54.000 -0.000 0.000 0.884 114 D CB 0.686 41.489 40.800 0.006 0.000 1.201 114 D HN 0.072 8.398 8.370 -0.073 0.000 0.456 115 L N -0.798 120.551 121.223 0.210 0.000 2.403 115 L HA 0.511 4.959 4.340 0.180 0.000 0.253 115 L C -2.153 174.877 176.870 0.267 0.000 1.045 115 L CA -2.726 52.268 54.840 0.256 0.000 0.845 115 L CB 3.451 45.734 42.059 0.373 0.000 1.447 115 L HN -0.319 8.074 8.230 0.272 0.000 0.411 116 P HA 0.140 4.628 4.420 0.114 0.000 0.249 116 P C -0.725 176.632 177.300 0.095 0.000 1.229 116 P CA 0.728 63.909 63.100 0.135 0.000 0.788 116 P CB 0.189 31.951 31.700 0.102 0.000 1.072 117 c N -5.937 112.767 118.600 0.172 0.000 5.953 117 c HA -0.135 4.275 4.570 -0.268 0.000 0.306 117 c C -2.334 171.766 174.090 0.018 0.000 2.224 117 c CA 1.238 57.530 56.329 -0.061 0.000 1.998 117 c CB -1.864 40.521 42.510 -0.208 0.000 3.059 117 c HN 0.302 8.676 8.230 0.364 0.074 0.395 118 P HA 0.048 4.500 4.420 0.053 0.000 0.280 118 P C -1.964 175.440 177.300 0.174 0.000 1.386 118 P CA 0.524 63.681 63.100 0.095 0.000 0.899 118 P CB -0.939 30.791 31.700 0.051 0.000 1.098 119 A N 5.140 128.091 122.820 0.218 0.000 2.642 119 A HA -0.027 4.261 4.320 -0.053 0.000 0.261 119 A C -1.574 175.905 177.584 -0.174 0.000 1.335 119 A CA -0.011 52.058 52.037 0.054 0.000 1.073 119 A CB 0.581 19.725 19.000 0.240 0.000 1.369 119 A HN -0.317 7.970 8.150 0.228 0.000 0.706 120 S N 1.560 117.188 115.700 -0.120 0.000 3.205 120 S HA -0.237 4.402 4.470 0.110 -0.103 0.381 120 S C -0.819 173.662 174.600 -0.199 0.000 1.122 120 S CA 1.028 59.195 58.200 -0.054 0.000 1.485 120 S CB -0.289 62.894 63.200 -0.029 0.000 1.058 120 S HN 0.066 8.337 8.310 -0.064 0.000 0.570 121 H N 4.173 123.401 119.070 0.264 0.000 2.670 121 H HA 0.165 4.749 4.556 0.048 0.000 0.361 121 H C 0.282 175.664 175.328 0.090 0.000 1.169 121 H CA -1.375 54.734 56.048 0.102 0.000 1.198 121 H CB 3.374 33.092 29.762 -0.074 0.000 1.700 121 H HN -0.553 7.978 8.280 0.419 0.000 0.542 122 K N 1.412 121.897 120.400 0.142 0.000 2.393 122 K HA -0.190 4.305 4.320 0.019 -0.164 0.264 122 K C -0.484 176.106 176.600 -0.017 0.000 0.979 122 K CA 1.155 57.449 56.287 0.011 0.000 0.893 122 K CB 0.426 32.880 32.500 -0.077 0.000 0.967 122 K HN -0.133 8.208 8.250 0.151 0.000 0.521 123 S N -1.385 114.239 115.700 -0.126 0.000 2.472 123 S HA 0.180 4.643 4.470 -0.010 0.000 0.303 123 S C -1.564 172.865 174.600 -0.285 0.000 1.099 123 S CA -1.040 57.093 58.200 -0.112 0.000 1.077 123 S CB 1.908 65.074 63.200 -0.057 0.000 1.031 123 S HN 0.179 8.385 8.310 -0.173 0.000 0.487 124 V N 2.754 122.568 119.914 -0.165 0.000 2.357 124 V HA 0.259 4.243 4.120 -0.227 0.000 0.281 124 V C -0.771 175.326 176.094 0.004 0.000 1.015 124 V CA -0.681 61.544 62.300 -0.126 0.000 0.827 124 V CB 1.137 32.925 31.823 -0.058 0.000 1.018 124 V HN 0.342 8.484 8.190 -0.079 0.000 0.432 125 c N 7.109 125.753 118.600 0.073 0.000 2.493 125 c HA 0.917 5.725 4.570 0.002 -0.237 0.326 125 c C -1.853 172.327 174.090 0.150 0.000 1.200 125 c CA -0.940 55.440 56.329 0.084 0.000 1.739 125 c CB 3.476 46.053 42.510 0.113 0.000 2.300 125 c HN 0.778 9.074 8.230 0.110 0.000 0.500 126 A N 1.949 124.759 122.820 -0.018 0.000 2.483 126 A HA 0.516 4.889 4.320 0.089 0.000 0.286 126 A C -2.771 174.651 177.584 -0.270 0.000 1.207 126 A CA -1.159 50.845 52.037 -0.056 0.000 0.764 126 A CB 3.448 22.397 19.000 -0.084 0.000 1.341 126 A HN 0.297 8.345 8.150 -0.170 0.000 0.428 127 M N -5.512 113.901 119.600 -0.312 0.000 3.069 127 M HA 0.404 4.630 4.480 -0.424 0.000 0.274 127 M C -2.331 173.751 176.300 -0.363 0.000 1.146 127 M CA 0.601 55.630 55.300 -0.453 0.000 0.807 127 M CB 2.647 34.745 32.600 -0.837 0.000 1.621 127 M HN 0.482 8.646 8.290 -0.211 0.000 0.521 128 T N -2.105 112.239 114.554 -0.349 0.000 2.754 128 T HA 0.396 4.513 4.350 -0.389 0.000 0.296 128 T C -1.787 172.760 174.700 -0.256 0.000 1.205 128 T CA -0.564 61.315 62.100 -0.367 0.000 1.009 128 T CB 3.015 71.651 68.868 -0.387 0.000 1.368 128 T HN -0.063 7.970 8.240 -0.345 0.000 0.509 129 F N 0.000 119.853 119.950 -0.161 0.000 2.286 129 F HA 0.000 4.443 4.527 -0.140 0.000 0.279 129 F CA 0.000 57.921 58.000 -0.132 0.000 1.383 129 F CB 0.000 38.924 39.000 -0.127 0.000 1.145 129 F HN 0.000 7.586 8.300 -1.189 0.000 0.574