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 2rmn_1_A DATA FIRST_RESID 113 DATA SEQUENCE GSSTFDALSP SPAIPSNTDY PGPHSFDVSF QQSSTAKSAT WTYSTELKKL DATA SEQUENCE YCQIAKTCPI QIKVMTPPPQ GAVIRAMPVY KKAEHVTEVV KRCPNHELSR DATA SEQUENCE EFNEGQIAPP SHLIRVEGNS HAQYVEDPIT GRQSVLVPYE PPQVGTEFTT DATA SEQUENCE VLYNFMCNSS CVGGMNRRPI LIIVTLETRD GQVLGRRCFE ARICACPGRD DATA SEQUENCE RKADEDSIRK QQVSDSTKNG DAFRQNTHGI QMT 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 113 G HA2 0.000 nan 3.960 nan 0.000 0.244 113 G HA3 0.000 3.916 3.960 -0.074 0.000 0.244 113 G C 0.000 174.877 174.900 -0.038 0.000 0.946 113 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 114 S N 0.690 116.366 115.700 -0.040 0.000 2.446 114 S HA 0.084 4.546 4.470 -0.014 0.000 0.225 114 S C 0.971 175.549 174.600 -0.037 0.000 1.016 114 S CA 0.165 58.349 58.200 -0.027 0.000 0.943 114 S CB 0.470 63.655 63.200 -0.024 0.000 0.786 114 S HN -0.010 8.274 8.310 -0.044 0.000 0.508 115 S N 1.537 117.194 115.700 -0.071 0.000 2.400 115 S HA -0.142 4.292 4.470 -0.060 0.000 0.232 115 S C 0.078 174.632 174.600 -0.076 0.000 1.025 115 S CA 1.988 60.134 58.200 -0.090 0.000 0.993 115 S CB 0.020 63.129 63.200 -0.152 0.000 0.808 115 S HN -0.091 8.144 8.310 -0.083 0.025 0.478 116 T N 0.824 115.330 114.554 -0.080 0.000 3.760 116 T HA -0.404 4.015 4.350 0.116 0.000 0.366 116 T C -0.923 173.903 174.700 0.209 0.000 0.761 116 T CA 1.308 63.449 62.100 0.067 0.000 1.887 116 T CB -1.011 67.907 68.868 0.083 0.000 1.811 116 T HN -0.377 7.782 8.240 -0.110 0.015 0.749 117 F N -2.668 117.282 119.950 -0.000 0.000 1.910 117 F HA -0.501 4.026 4.527 0.000 0.000 0.252 117 F C 0.417 176.216 175.800 -0.002 0.000 0.130 117 F CA 2.175 60.175 58.000 0.000 0.000 0.735 117 F CB -0.646 38.356 39.000 0.002 0.000 3.269 117 F HN -0.409 7.590 8.300 -0.477 0.015 0.427 118 D N -3.310 117.229 120.400 0.233 0.000 2.708 118 D HA -0.433 4.263 4.640 0.094 0.000 0.236 118 D C -1.373 174.965 176.300 0.063 0.000 1.146 118 D CA 1.416 55.483 54.000 0.112 0.000 0.662 118 D CB -1.583 39.274 40.800 0.096 0.000 1.059 118 D HN 0.419 8.974 8.370 0.308 0.000 0.428 119 A N -3.099 119.751 122.820 0.049 0.000 2.511 119 A HA 0.044 4.372 4.320 0.014 0.000 0.292 119 A C -0.638 176.948 177.584 0.004 0.000 1.045 119 A CA -0.228 51.819 52.037 0.016 0.000 0.870 119 A CB 1.637 20.637 19.000 0.002 0.000 1.361 119 A HN -0.563 7.627 8.150 0.067 0.000 0.396 120 L N 1.521 122.747 121.223 0.004 0.000 3.783 120 L HA -0.431 3.909 4.340 0.000 0.000 0.053 120 L C -1.350 175.524 176.870 0.006 0.000 4.185 120 L CA 1.846 56.685 54.840 -0.001 0.000 0.841 120 L CB -0.441 41.610 42.059 -0.012 0.000 3.418 120 L HN 0.328 8.561 8.230 0.005 0.000 0.835 121 S N -4.027 111.671 115.700 -0.002 0.000 2.661 121 S HA 0.407 4.968 4.470 0.028 -0.073 0.285 121 S C -2.425 172.174 174.600 -0.000 0.000 1.138 121 S CA -1.808 56.398 58.200 0.009 0.000 0.855 121 S CB 1.057 64.255 63.200 -0.003 0.000 1.136 121 S HN -0.395 7.904 8.310 -0.019 0.000 0.484 122 P HA 0.118 4.566 4.420 0.046 0.000 0.272 122 P C -1.121 176.238 177.300 0.098 0.000 1.223 122 P CA -0.215 62.932 63.100 0.079 0.000 0.784 122 P CB 0.516 32.287 31.700 0.119 0.000 0.923 123 S N 1.448 117.188 115.700 0.066 0.000 2.584 123 S HA 0.107 4.613 4.470 0.060 0.000 0.273 123 S C -1.248 173.387 174.600 0.059 0.000 1.311 123 S CA -1.230 57.004 58.200 0.056 0.000 1.034 123 S CB 0.041 63.261 63.200 0.033 0.000 0.939 123 S HN -0.038 8.303 8.310 0.051 0.000 0.513 124 P HA -0.051 4.390 4.420 0.034 0.000 0.267 124 P C -1.711 175.604 177.300 0.026 0.000 1.200 124 P CA -0.162 62.959 63.100 0.034 0.000 0.772 124 P CB 0.523 32.238 31.700 0.025 0.000 0.855 125 A N 3.404 126.235 122.820 0.020 0.000 2.388 125 A HA 0.053 4.384 4.320 0.018 0.000 0.257 125 A C -0.476 177.120 177.584 0.020 0.000 1.095 125 A CA 0.031 52.079 52.037 0.017 0.000 0.791 125 A CB 1.042 20.049 19.000 0.013 0.000 1.029 125 A HN 0.012 8.171 8.150 0.014 0.000 0.489 126 I N 1.267 121.848 120.570 0.019 0.000 2.464 126 I HA 0.293 4.481 4.170 0.031 0.000 0.277 126 I C -1.817 174.314 176.117 0.023 0.000 1.040 126 I CA -3.967 57.348 61.300 0.024 0.000 1.153 126 I CB -0.586 37.426 38.000 0.021 0.000 1.274 126 I HN 0.195 8.414 8.210 0.016 0.000 0.469 127 P HA 0.216 4.648 4.420 0.019 0.000 0.269 127 P C -1.800 175.517 177.300 0.029 0.000 1.209 127 P CA -0.390 62.725 63.100 0.025 0.000 0.776 127 P CB 0.913 32.630 31.700 0.028 0.000 0.876 128 S N 1.499 117.215 115.700 0.027 0.000 2.532 128 S HA 0.118 4.609 4.470 0.034 0.000 0.301 128 S C -0.338 174.289 174.600 0.045 0.000 1.083 128 S CA -1.567 56.652 58.200 0.032 0.000 1.025 128 S CB 1.473 64.687 63.200 0.023 0.000 1.056 128 S HN -0.047 8.277 8.310 0.023 0.000 0.494 129 N N 3.387 122.118 118.700 0.051 0.000 2.327 129 N HA 0.071 4.854 4.740 0.073 0.000 0.231 129 N C -0.486 175.075 175.510 0.085 0.000 1.130 129 N CA -0.816 52.273 53.050 0.066 0.000 0.845 129 N CB -0.444 38.075 38.487 0.052 0.000 1.073 129 N HN 0.155 8.563 8.380 0.046 0.000 0.496 130 T N 4.027 118.630 114.554 0.082 0.000 2.834 130 T HA -0.135 4.272 4.350 0.094 0.000 0.298 130 T C -0.022 174.766 174.700 0.147 0.000 0.966 130 T CA 1.943 64.102 62.100 0.099 0.000 1.141 130 T CB 0.522 69.436 68.868 0.078 0.000 0.905 130 T HN -0.766 7.416 8.240 0.066 0.097 0.535 131 D N 6.404 126.899 120.400 0.157 0.000 2.382 131 D HA 0.017 4.925 4.640 0.206 -0.144 0.245 131 D C -0.948 175.519 176.300 0.279 0.000 1.120 131 D CA 0.732 54.847 54.000 0.192 0.000 0.890 131 D CB 0.725 41.607 40.800 0.136 0.000 1.201 131 D HN 0.208 8.656 8.370 0.131 0.000 0.433 132 Y N 3.256 123.626 120.300 0.117 0.000 2.325 132 Y HA 0.292 4.890 4.550 0.080 0.000 0.336 132 Y C -2.174 173.811 175.900 0.141 0.000 1.130 132 Y CA -2.253 55.910 58.100 0.105 0.000 1.264 132 Y CB 1.973 40.489 38.460 0.093 0.000 1.128 132 Y HN -0.008 8.468 8.280 0.327 0.000 0.469 133 P HA 0.013 4.658 4.420 0.109 -0.159 0.216 133 P C 0.394 177.656 177.300 -0.062 0.000 1.150 133 P CA 1.032 64.115 63.100 -0.028 0.000 0.837 133 P CB 0.505 32.156 31.700 -0.082 0.000 0.786 134 G N -2.265 106.304 108.800 -0.385 0.000 2.598 134 G HA2 -0.272 3.440 3.960 -0.413 0.000 0.244 134 G HA3 -0.272 3.961 3.960 -0.002 -0.274 0.244 134 G C -0.721 174.087 174.900 -0.154 0.000 1.302 134 G CA -0.093 44.863 45.100 -0.240 0.000 0.903 134 G HN -0.270 7.573 8.290 -0.736 0.006 0.575 135 P HA -0.003 4.303 4.420 -0.190 0.000 0.217 135 P C -0.479 176.667 177.300 -0.256 0.000 1.154 135 P CA 1.764 64.710 63.100 -0.257 0.000 0.841 135 P CB 0.315 31.764 31.700 -0.418 0.000 0.790 136 H N -3.026 116.044 119.070 -0.001 0.000 2.533 136 H HA 0.169 4.722 4.556 -0.004 0.000 0.271 136 H C 0.215 175.569 175.328 0.044 0.000 1.000 136 H CA -1.071 54.983 56.048 0.011 0.000 1.149 136 H CB -0.547 29.212 29.762 -0.004 0.000 1.375 136 H HN 0.033 8.258 8.280 -0.093 0.000 0.582 137 S N -0.916 114.851 115.700 0.113 0.000 3.572 137 S HA -0.384 4.111 4.470 0.041 0.000 0.394 137 S C -1.536 173.160 174.600 0.159 0.000 0.923 137 S CA 0.058 58.311 58.200 0.088 0.000 1.291 137 S CB -1.375 61.854 63.200 0.049 0.000 0.914 137 S HN -0.414 7.840 8.310 0.045 0.083 0.545 138 F N 4.346 124.324 119.950 0.047 0.000 2.471 138 F HA 0.205 4.867 4.527 0.058 -0.100 0.365 138 F C -2.002 173.825 175.800 0.045 0.000 1.095 138 F CA 0.087 58.122 58.000 0.058 0.000 1.174 138 F CB 1.194 40.241 39.000 0.078 0.000 1.105 138 F HN -0.267 8.140 8.300 0.333 0.093 0.535 139 D N 6.084 126.189 120.400 -0.493 0.000 2.523 139 D HA 0.343 4.740 4.640 -0.405 0.000 0.236 139 D C -2.623 173.318 176.300 -0.598 0.000 1.094 139 D CA -1.927 51.798 54.000 -0.458 0.000 0.942 139 D CB 4.265 44.943 40.800 -0.204 0.000 1.447 139 D HN 0.385 8.548 8.370 -0.344 0.000 0.479 140 V N 0.449 120.092 119.914 -0.452 0.000 2.823 140 V HA 0.766 4.709 4.120 -0.562 -0.160 0.312 140 V C -0.809 174.994 176.094 -0.485 0.000 1.072 140 V CA -2.536 59.463 62.300 -0.501 0.000 0.937 140 V CB 3.374 34.960 31.823 -0.394 0.000 1.013 140 V HN 0.254 8.255 8.190 -0.315 0.000 0.430 141 S N 1.803 117.043 115.700 -0.766 0.000 2.588 141 S HA 0.333 4.522 4.470 -0.467 0.000 0.269 141 S C -2.130 171.793 174.600 -1.128 0.000 1.157 141 S CA -1.160 56.617 58.200 -0.704 0.000 0.824 141 S CB 2.559 65.521 63.200 -0.397 0.000 1.126 141 S HN 0.207 7.987 8.310 -0.884 0.000 0.464 142 F N -0.048 119.465 119.950 -0.728 0.000 2.518 142 F HA 0.404 4.618 4.527 -0.522 0.000 0.323 142 F C 0.025 175.663 175.800 -0.270 0.000 1.129 142 F CA -0.915 56.711 58.000 -0.623 0.000 0.920 142 F CB 2.434 40.815 39.000 -1.032 0.000 1.160 142 F HN 0.260 8.250 8.300 -0.517 0.000 0.440 143 Q N 3.169 123.017 119.800 0.080 0.000 2.386 143 Q HA -0.177 4.141 4.340 -0.037 0.000 0.282 143 Q C -0.621 175.478 176.000 0.164 0.000 1.050 143 Q CA 0.993 56.851 55.803 0.092 0.000 0.918 143 Q CB 0.526 29.343 28.738 0.133 0.000 1.266 143 Q HN 0.177 8.471 8.270 0.040 0.000 0.423 144 Q N 1.143 120.985 119.800 0.069 0.000 2.235 144 Q HA 0.104 4.506 4.340 0.104 0.000 0.256 144 Q C -0.271 175.706 176.000 -0.038 0.000 0.951 144 Q CA -0.450 55.385 55.803 0.055 0.000 0.890 144 Q CB 1.232 30.012 28.738 0.070 0.000 1.279 144 Q HN 0.336 8.624 8.270 0.030 0.000 0.444 145 S N 1.922 117.569 115.700 -0.089 0.000 2.618 145 S HA 0.272 4.687 4.470 -0.091 0.000 0.277 145 S C -0.198 174.343 174.600 -0.098 0.000 1.138 145 S CA -0.911 57.213 58.200 -0.126 0.000 0.844 145 S CB 1.819 64.869 63.200 -0.250 0.000 1.127 145 S HN 0.138 8.406 8.310 -0.070 0.000 0.474 146 S N 1.494 117.143 115.700 -0.085 0.000 2.576 146 S HA -0.006 4.434 4.470 -0.051 0.000 0.272 146 S C 0.652 175.203 174.600 -0.081 0.000 1.352 146 S CA 0.219 58.378 58.200 -0.067 0.000 1.021 146 S CB 0.343 63.509 63.200 -0.057 0.000 0.887 146 S HN 0.202 8.461 8.310 -0.085 0.000 0.542 147 T N 0.509 115.024 114.554 -0.065 0.000 4.647 147 T HA -0.123 4.179 4.350 -0.080 0.000 0.224 147 T C -0.580 174.078 174.700 -0.070 0.000 0.928 147 T CA -0.485 61.573 62.100 -0.070 0.000 0.969 147 T CB -1.711 67.122 68.868 -0.059 0.000 1.425 147 T HN 0.094 8.302 8.240 -0.053 0.000 1.045 148 A N 3.635 126.405 122.820 -0.083 0.000 2.386 148 A HA 0.006 4.291 4.320 -0.059 0.000 0.248 148 A C -0.227 177.318 177.584 -0.065 0.000 1.082 148 A CA -0.001 51.993 52.037 -0.072 0.000 0.789 148 A CB 0.870 19.819 19.000 -0.086 0.000 1.025 148 A HN 0.122 8.149 8.150 -0.102 0.062 0.490 149 K N 0.827 121.197 120.400 -0.050 0.000 2.168 149 K HA -0.095 4.198 4.320 -0.044 0.000 0.258 149 K C 0.874 177.451 176.600 -0.037 0.000 1.010 149 K CA 0.277 56.539 56.287 -0.041 0.000 0.929 149 K CB 0.259 32.739 32.500 -0.032 0.000 0.998 149 K HN 0.045 8.268 8.250 -0.045 0.000 0.479 150 S N -0.670 115.013 115.700 -0.028 0.000 3.473 150 S HA -0.462 4.005 4.470 -0.006 0.000 0.339 150 S C -0.635 173.953 174.600 -0.019 0.000 1.148 150 S CA 0.656 58.847 58.200 -0.014 0.000 0.969 150 S CB -0.499 62.695 63.200 -0.009 0.000 0.936 150 S HN 0.649 8.942 8.310 -0.028 0.000 0.530 151 A N -0.970 121.825 122.820 -0.042 0.000 2.520 151 A HA -0.080 4.178 4.320 -0.103 0.000 0.245 151 A C 0.933 178.504 177.584 -0.020 0.000 1.072 151 A CA 0.654 52.644 52.037 -0.078 0.000 0.761 151 A CB 1.036 19.965 19.000 -0.119 0.000 1.004 151 A HN -0.585 7.503 8.150 -0.046 0.035 0.499 152 T N -2.787 111.763 114.554 -0.006 0.000 2.833 152 T HA -0.241 4.323 4.350 0.170 -0.112 0.269 152 T C -0.920 173.982 174.700 0.336 0.000 1.054 152 T CA 1.982 64.191 62.100 0.182 0.000 1.135 152 T CB 0.644 69.693 68.868 0.302 0.000 0.869 152 T HN 0.148 8.347 8.240 -0.068 0.000 0.466 153 W N -5.344 116.000 121.300 0.073 0.000 3.700 153 W HA 0.871 5.785 4.660 0.091 -0.200 0.279 153 W C -2.692 173.885 176.519 0.096 0.000 1.270 153 W CA -1.924 55.475 57.345 0.090 0.000 1.216 153 W CB 1.934 31.458 29.460 0.108 0.000 1.292 153 W HN -0.990 6.996 8.180 -0.292 0.019 0.557 154 T N -0.456 114.268 114.554 0.282 0.000 2.933 154 T HA 0.401 4.718 4.350 -0.055 0.000 0.305 154 T C -2.578 172.331 174.700 0.349 0.000 1.092 154 T CA -1.167 61.020 62.100 0.145 0.000 1.008 154 T CB 2.874 71.756 68.868 0.024 0.000 1.102 154 T HN 0.181 8.655 8.240 0.389 0.000 0.469 155 Y N 8.225 128.625 120.300 0.166 0.000 2.462 155 Y HA 0.690 5.450 4.550 0.100 -0.150 0.346 155 Y C -2.320 173.640 175.900 0.100 0.000 0.976 155 Y CA -1.981 56.197 58.100 0.130 0.000 1.044 155 Y CB 3.626 42.181 38.460 0.158 0.000 1.230 155 Y HN 0.334 8.797 8.280 0.306 0.000 0.455 156 S N 5.490 120.924 115.700 -0.444 0.000 2.456 156 S HA 0.350 4.793 4.470 -0.045 0.000 0.316 156 S C 0.304 174.674 174.600 -0.383 0.000 1.089 156 S CA -2.372 55.682 58.200 -0.243 0.000 1.101 156 S CB 1.378 64.501 63.200 -0.129 0.000 0.995 156 S HN 0.049 7.916 8.310 -0.738 0.000 0.468 157 T N 8.688 123.224 114.554 -0.030 0.000 2.857 157 T HA -0.224 4.288 4.350 0.269 0.000 0.266 157 T C 0.895 175.606 174.700 0.019 0.000 1.048 157 T CA 3.287 65.451 62.100 0.107 0.000 1.139 157 T CB 0.093 69.064 68.868 0.173 0.000 0.874 157 T HN 0.670 8.944 8.240 0.056 0.000 0.455 158 E N 0.316 120.512 120.200 -0.007 0.000 2.160 158 E HA -0.225 4.134 4.350 0.016 0.000 0.195 158 E C 0.654 177.240 176.600 -0.022 0.000 0.991 158 E CA 2.335 58.733 56.400 -0.004 0.000 0.810 158 E CB -0.014 29.682 29.700 -0.006 0.000 0.742 158 E HN 0.237 8.591 8.360 -0.009 0.000 0.466 159 L N -4.916 116.265 121.223 -0.070 0.000 2.590 159 L HA 0.154 4.474 4.340 -0.032 0.000 0.227 159 L C -0.051 176.754 176.870 -0.109 0.000 1.099 159 L CA -0.602 54.195 54.840 -0.071 0.000 0.872 159 L CB 1.039 43.058 42.059 -0.066 0.000 1.088 159 L HN -0.778 7.363 8.230 -0.110 0.022 0.479 160 K N -0.867 119.426 120.400 -0.179 0.000 3.244 160 K HA -0.430 3.883 4.320 -0.011 0.000 0.270 160 K C -2.028 174.447 176.600 -0.208 0.000 1.016 160 K CA 0.874 57.102 56.287 -0.098 0.000 0.754 160 K CB -2.047 30.501 32.500 0.080 0.000 1.326 160 K HN -0.192 7.820 8.250 -0.214 0.110 0.465 161 K N -2.914 117.129 120.400 -0.595 0.000 2.532 161 K HA 0.487 4.774 4.320 -0.238 -0.109 0.265 161 K C -3.206 173.021 176.600 -0.621 0.000 0.948 161 K CA -1.169 54.846 56.287 -0.454 0.000 0.842 161 K CB 4.338 36.614 32.500 -0.374 0.000 1.392 161 K HN -0.916 6.739 8.250 -0.992 0.000 0.436 162 L N 2.344 123.289 121.223 -0.464 0.000 2.386 162 L HA 0.534 4.954 4.340 -0.082 -0.128 0.271 162 L C -2.561 174.055 176.870 -0.424 0.000 0.993 162 L CA -0.996 53.682 54.840 -0.271 0.000 0.819 162 L CB 4.163 46.079 42.059 -0.239 0.000 1.294 162 L HN 0.089 8.083 8.230 -0.393 0.000 0.414 163 Y N 3.139 123.456 120.300 0.029 0.000 2.393 163 Y HA 0.800 5.498 4.550 -0.034 -0.169 0.341 163 Y C -0.499 175.441 175.900 0.067 0.000 0.988 163 Y CA -1.786 56.319 58.100 0.009 0.000 1.078 163 Y CB 3.157 41.615 38.460 -0.004 0.000 1.203 163 Y HN -0.056 8.402 8.280 0.295 0.000 0.453 164 C N -1.378 117.998 119.300 0.126 0.000 2.994 164 C HA 0.847 5.622 4.460 0.269 -0.154 0.304 164 C C -1.436 173.596 174.990 0.070 0.000 1.273 164 C CA -3.538 55.557 59.018 0.128 0.000 1.537 164 C CB 4.243 31.979 27.740 -0.007 0.000 2.001 164 C HN 0.960 9.217 8.230 0.045 0.000 0.471 165 Q N -0.513 119.359 119.800 0.119 0.000 2.245 165 Q HA 0.444 4.941 4.340 0.053 -0.124 0.256 165 Q C -0.115 175.945 176.000 0.101 0.000 0.942 165 Q CA -2.138 53.716 55.803 0.085 0.000 0.896 165 Q CB 2.771 31.565 28.738 0.093 0.000 1.272 165 Q HN -0.070 8.314 8.270 0.189 0.000 0.442 166 I N 2.046 122.660 120.570 0.073 0.000 2.932 166 I HA -0.537 3.717 4.170 0.140 0.000 0.295 166 I C 0.445 176.635 176.117 0.121 0.000 1.227 166 I CA 1.967 63.327 61.300 0.100 0.000 1.429 166 I CB 0.347 38.376 38.000 0.048 0.000 1.339 166 I HN 0.399 8.638 8.210 0.049 0.000 0.589 167 A N 5.090 128.003 122.820 0.154 0.000 3.132 167 A HA -0.280 4.110 4.320 0.116 0.000 0.266 167 A C -0.956 176.712 177.584 0.139 0.000 1.216 167 A CA 1.684 53.793 52.037 0.121 0.000 0.985 167 A CB -1.105 17.935 19.000 0.068 0.000 1.102 167 A HN 0.223 8.493 8.150 0.200 0.000 0.833 168 K N -1.186 119.329 120.400 0.190 0.000 2.095 168 K HA 0.206 4.628 4.320 0.170 0.000 0.252 168 K C -0.176 176.564 176.600 0.234 0.000 0.977 168 K CA -1.809 54.604 56.287 0.209 0.000 0.900 168 K CB 0.922 33.567 32.500 0.242 0.000 1.060 168 K HN -0.542 7.761 8.250 0.218 0.078 0.449 169 T N 2.725 117.409 114.554 0.217 0.000 2.794 169 T HA 0.097 4.640 4.350 0.113 -0.124 0.296 169 T C -1.044 173.690 174.700 0.057 0.000 0.949 169 T CA 1.206 63.395 62.100 0.149 0.000 1.101 169 T CB 0.247 69.201 68.868 0.143 0.000 0.905 169 T HN 0.090 8.465 8.240 0.226 0.000 0.516 170 C N 6.978 126.201 119.300 -0.129 0.000 2.317 170 C HA 0.494 3.989 4.460 -1.607 0.000 0.306 170 C C -2.395 172.232 174.990 -0.606 0.000 1.087 170 C CA -4.100 54.504 59.018 -0.691 0.000 1.529 170 C CB 1.215 28.797 27.740 -0.263 0.000 1.880 170 C HN 0.443 8.672 8.230 -0.002 0.000 0.417 171 P HA 0.051 4.429 4.420 -0.323 -0.152 0.267 171 P C -1.468 175.480 177.300 -0.587 0.000 1.205 171 P CA -0.047 62.807 63.100 -0.410 0.000 0.765 171 P CB 0.154 31.763 31.700 -0.150 0.000 0.828 172 I N 4.057 124.276 120.570 -0.585 0.000 2.608 172 I HA 0.167 3.844 4.170 -0.820 0.000 0.295 172 I C -1.691 174.054 176.117 -0.619 0.000 1.049 172 I CA -1.213 59.637 61.300 -0.749 0.000 1.063 172 I CB 4.124 41.596 38.000 -0.880 0.000 1.248 172 I HN 0.531 8.417 8.210 -0.541 0.000 0.424 173 Q N 3.838 123.230 119.800 -0.679 0.000 2.282 173 Q HA 0.907 5.296 4.340 -0.291 -0.224 0.260 173 Q C -0.604 175.148 176.000 -0.413 0.000 0.964 173 Q CA -1.728 53.794 55.803 -0.469 0.000 0.880 173 Q CB 2.952 31.302 28.738 -0.647 0.000 1.286 173 Q HN 0.041 7.778 8.270 -0.888 0.000 0.445 174 I N 3.251 123.702 120.570 -0.198 0.000 2.385 174 I HA 0.460 4.610 4.170 -0.298 -0.159 0.294 174 I C -0.908 175.195 176.117 -0.024 0.000 0.988 174 I CA -2.728 58.496 61.300 -0.128 0.000 1.265 174 I CB 0.250 38.324 38.000 0.123 0.000 1.388 174 I HN 0.471 8.613 8.210 -0.113 0.000 0.480 175 K N 6.809 127.153 120.400 -0.093 0.000 2.323 175 K HA 0.333 4.708 4.320 0.091 0.000 0.259 175 K C -1.865 174.762 176.600 0.045 0.000 0.947 175 K CA -1.216 55.074 56.287 0.006 0.000 0.819 175 K CB 2.540 35.004 32.500 -0.061 0.000 1.109 175 K HN 0.634 8.627 8.250 -0.235 0.116 0.429 176 V N 1.610 121.591 119.914 0.112 0.000 3.078 176 V HA 0.941 5.456 4.120 0.117 -0.324 0.311 176 V C -1.082 175.069 176.094 0.094 0.000 1.138 176 V CA -2.596 59.779 62.300 0.125 0.000 1.007 176 V CB 2.942 34.865 31.823 0.167 0.000 1.045 176 V HN 0.279 8.546 8.190 0.128 0.000 0.432 177 M N -1.145 118.510 119.600 0.092 0.000 2.156 177 M HA 0.009 4.522 4.480 0.054 0.000 0.264 177 M C 0.511 176.853 176.300 0.070 0.000 1.067 177 M CA 1.714 57.055 55.300 0.068 0.000 1.131 177 M CB 0.592 33.227 32.600 0.058 0.000 1.368 177 M HN 0.206 8.562 8.290 0.110 0.000 0.416 178 T N -2.675 111.936 114.554 0.096 0.000 2.912 178 T HA 0.421 4.799 4.350 0.046 0.000 0.299 178 T C -2.653 172.042 174.700 -0.008 0.000 1.052 178 T CA -3.042 59.100 62.100 0.070 0.000 0.996 178 T CB 1.606 70.545 68.868 0.117 0.000 1.070 178 T HN -0.725 7.595 8.240 0.134 0.000 0.465 179 P HA 0.077 4.439 4.420 -0.097 0.000 0.265 179 P C -1.642 175.413 177.300 -0.408 0.000 1.193 179 P CA -0.974 62.040 63.100 -0.144 0.000 0.765 179 P CB -0.516 31.155 31.700 -0.049 0.000 0.823 180 P HA 0.024 3.658 4.420 -1.311 0.000 0.271 180 P C -2.117 174.862 177.300 -0.535 0.000 1.244 180 P CA -1.246 61.318 63.100 -0.894 0.000 0.793 180 P CB -0.703 30.370 31.700 -1.046 0.000 0.984 181 P HA 0.014 4.349 4.420 -0.141 0.000 0.270 181 P C -0.232 176.973 177.300 -0.158 0.000 1.223 181 P CA -0.208 62.780 63.100 -0.188 0.000 0.785 181 P CB 0.516 32.153 31.700 -0.105 0.000 0.923 182 Q N 2.341 122.086 119.800 -0.093 0.000 2.332 182 Q HA -0.117 4.192 4.340 -0.053 0.000 0.263 182 Q C 1.303 177.271 176.000 -0.055 0.000 0.979 182 Q CA 1.059 56.826 55.803 -0.061 0.000 0.885 182 Q CB 0.291 29.004 28.738 -0.042 0.000 1.218 182 Q HN 0.340 8.564 8.270 -0.076 0.000 0.405 183 G N 2.363 111.136 108.800 -0.045 0.000 2.258 183 G HA2 -0.328 3.607 3.960 -0.041 0.000 0.233 183 G HA3 -0.328 3.607 3.960 -0.042 0.000 0.233 183 G C -0.809 174.063 174.900 -0.045 0.000 1.006 183 G CA -0.638 44.437 45.100 -0.043 0.000 0.620 183 G HN 0.704 8.974 8.290 -0.034 0.000 0.511 184 A N 1.680 124.460 122.820 -0.067 0.000 2.547 184 A HA -0.070 4.312 4.320 -0.080 -0.110 0.233 184 A C -0.567 177.000 177.584 -0.028 0.000 1.067 184 A CA 1.225 53.212 52.037 -0.082 0.000 0.763 184 A CB 0.902 19.794 19.000 -0.181 0.000 1.007 184 A HN -0.665 7.336 8.150 -0.085 0.098 0.506 185 V N -5.823 114.073 119.914 -0.030 0.000 3.001 185 V HA 0.941 5.190 4.120 0.037 -0.107 0.314 185 V C -1.673 174.427 176.094 0.010 0.000 1.099 185 V CA -3.183 59.120 62.300 0.005 0.000 0.989 185 V CB 3.344 35.157 31.823 -0.018 0.000 1.040 185 V HN 0.167 8.323 8.190 -0.056 0.000 0.434 186 I N 1.294 121.894 120.570 0.050 0.000 2.412 186 I HA 0.660 5.017 4.170 0.021 -0.174 0.296 186 I C -0.800 175.354 176.117 0.063 0.000 0.987 186 I CA -1.466 59.876 61.300 0.069 0.000 1.180 186 I CB 2.405 40.494 38.000 0.148 0.000 1.340 186 I HN 0.624 8.866 8.210 0.053 0.000 0.455 187 R N 4.689 125.229 120.500 0.067 0.000 2.664 187 R HA 0.716 5.213 4.340 0.027 -0.141 0.286 187 R C -1.598 174.774 176.300 0.120 0.000 0.967 187 R CA -2.186 53.949 56.100 0.058 0.000 0.933 187 R CB 3.408 33.724 30.300 0.028 0.000 1.146 187 R HN 0.222 8.527 8.270 0.059 0.000 0.468 188 A N 2.560 125.427 122.820 0.079 0.000 2.408 188 A HA 1.035 5.705 4.320 0.174 -0.246 0.295 188 A C -2.466 175.123 177.584 0.008 0.000 1.040 188 A CA -1.137 50.959 52.037 0.099 0.000 0.707 188 A CB 3.888 22.944 19.000 0.093 0.000 1.235 188 A HN 0.302 8.464 8.150 0.020 0.000 0.418 189 M N 3.268 122.882 119.600 0.024 0.000 2.386 189 M HA 0.764 5.238 4.480 -0.010 0.000 0.293 189 M C -2.900 173.385 176.300 -0.025 0.000 1.120 189 M CA -2.918 52.380 55.300 -0.002 0.000 0.909 189 M CB 4.908 37.516 32.600 0.014 0.000 1.661 189 M HN 0.051 8.375 8.290 0.056 0.000 0.452 190 P HA 0.600 5.101 4.420 -0.087 -0.133 0.294 190 P C -1.708 175.536 177.300 -0.093 0.000 1.294 190 P CA -1.095 61.961 63.100 -0.072 0.000 0.827 190 P CB 0.877 32.541 31.700 -0.061 0.000 0.992 191 V N -5.256 114.589 119.914 -0.115 0.000 3.087 191 V HA 0.462 4.522 4.120 -0.099 0.000 0.306 191 V C -1.591 174.442 176.094 -0.102 0.000 1.187 191 V CA -2.425 59.825 62.300 -0.083 0.000 0.999 191 V CB 3.026 34.854 31.823 0.007 0.000 1.049 191 V HN 0.290 8.406 8.190 -0.124 0.000 0.431 192 Y N 1.205 121.516 120.300 0.018 0.000 2.394 192 Y HA -0.268 4.278 4.550 -0.006 0.000 0.351 192 Y C -0.296 175.620 175.900 0.026 0.000 1.272 192 Y CA 2.183 60.297 58.100 0.024 0.000 1.508 192 Y CB 0.464 38.977 38.460 0.088 0.000 1.369 192 Y HN 0.560 8.975 8.280 0.224 0.000 0.639 193 K N 0.525 121.049 120.400 0.208 0.000 2.056 193 K HA -0.158 4.204 4.320 0.071 0.000 0.205 193 K C 0.491 177.171 176.600 0.134 0.000 1.035 193 K CA 1.202 57.558 56.287 0.115 0.000 0.955 193 K CB 1.119 33.665 32.500 0.077 0.000 0.769 193 K HN 0.138 8.538 8.250 0.250 0.000 0.447 194 K N -1.875 118.633 120.400 0.180 0.000 2.154 194 K HA 0.027 4.404 4.320 0.094 0.000 0.264 194 K C 0.402 177.066 176.600 0.107 0.000 1.008 194 K CA -0.511 55.860 56.287 0.141 0.000 0.937 194 K CB 0.997 33.609 32.500 0.187 0.000 1.002 194 K HN -0.329 8.058 8.250 0.227 0.000 0.469 195 A N 3.514 126.359 122.820 0.043 0.000 1.940 195 A HA -0.273 4.067 4.320 0.035 0.000 0.219 195 A C 1.874 179.426 177.584 -0.053 0.000 1.176 195 A CA 3.290 55.334 52.037 0.011 0.000 0.631 195 A CB -0.573 18.425 19.000 -0.003 0.000 0.814 195 A HN 0.693 8.865 8.150 0.037 0.000 0.446 196 E N -5.422 114.693 120.200 -0.141 0.000 2.267 196 E HA -0.295 3.917 4.350 -0.229 0.000 0.197 196 E C 0.497 176.810 176.600 -0.478 0.000 0.998 196 E CA 2.356 58.558 56.400 -0.330 0.000 0.830 196 E CB -0.525 28.896 29.700 -0.464 0.000 0.751 196 E HN 0.538 8.822 8.360 -0.101 0.015 0.491 197 H N -4.867 114.128 119.070 -0.125 0.000 2.729 197 H HA 0.119 4.405 4.556 -0.450 0.000 0.263 197 H C 1.533 176.775 175.328 -0.144 0.000 0.961 197 H CA 0.531 56.378 56.048 -0.334 0.000 1.217 197 H CB 1.855 31.382 29.762 -0.391 0.000 1.447 197 H HN -0.393 7.685 8.280 -0.076 0.156 0.496 198 V N 2.495 122.501 119.914 0.154 0.000 2.759 198 V HA -0.207 4.131 4.120 0.364 0.000 0.256 198 V C 0.707 176.884 176.094 0.139 0.000 1.080 198 V CA 2.377 64.805 62.300 0.214 0.000 1.101 198 V CB -0.663 31.242 31.823 0.136 0.000 0.698 198 V HN -0.095 8.051 8.190 0.107 0.109 0.477 199 T N -3.689 110.898 114.554 0.054 0.000 3.055 199 T HA -0.122 4.254 4.350 0.043 0.000 0.265 199 T C 0.176 174.899 174.700 0.039 0.000 1.111 199 T CA 0.848 62.967 62.100 0.032 0.000 1.118 199 T CB -0.078 68.784 68.868 -0.009 0.000 0.909 199 T HN -0.634 7.583 8.240 0.012 0.030 0.501 200 E N 1.806 122.023 120.200 0.029 0.000 2.283 200 E HA 0.071 4.441 4.350 0.034 0.000 0.278 200 E C -1.374 175.383 176.600 0.262 0.000 1.027 200 E CA -0.945 55.484 56.400 0.049 0.000 0.843 200 E CB 0.900 30.510 29.700 -0.151 0.000 1.062 200 E HN -0.583 7.607 8.360 -0.013 0.162 0.401 201 V N 4.562 124.594 119.914 0.196 0.000 2.715 201 V HA -0.119 4.100 4.120 0.165 0.000 0.299 201 V C -0.708 175.548 176.094 0.270 0.000 1.054 201 V CA 0.193 62.606 62.300 0.188 0.000 1.077 201 V CB 0.724 32.596 31.823 0.082 0.000 0.972 201 V HN 0.192 8.452 8.190 0.116 0.000 0.484 202 V N 3.957 123.935 119.914 0.107 0.000 2.583 202 V HA -0.111 4.040 4.120 0.052 0.000 0.287 202 V C -0.405 175.692 176.094 0.005 0.000 1.051 202 V CA -0.290 61.990 62.300 -0.034 0.000 1.010 202 V CB -0.474 31.181 31.823 -0.281 0.000 0.988 202 V HN 0.124 8.340 8.190 0.044 0.000 0.478 203 K N 5.056 125.471 120.400 0.025 0.000 2.197 203 K HA 0.388 4.704 4.320 -0.007 0.000 0.247 203 K C -1.039 175.568 176.600 0.011 0.000 1.077 203 K CA -2.262 54.032 56.287 0.013 0.000 0.882 203 K CB 2.054 34.572 32.500 0.030 0.000 1.396 203 K HN 0.062 8.338 8.250 0.043 0.000 0.482 204 R N -0.862 119.640 120.500 0.003 0.000 2.573 204 R HA 0.150 4.514 4.340 0.041 0.000 0.272 204 R C 0.375 176.688 176.300 0.023 0.000 1.009 204 R CA -0.791 55.322 56.100 0.021 0.000 1.059 204 R CB 1.095 31.396 30.300 0.002 0.000 1.112 204 R HN 0.004 8.268 8.270 -0.010 0.000 0.517 205 C N 1.995 121.317 119.300 0.037 0.000 2.595 205 C HA 0.238 4.702 4.460 -0.037 -0.026 0.384 205 C C 0.034 174.993 174.990 -0.052 0.000 1.289 205 C CA -0.910 58.083 59.018 -0.041 0.000 2.372 205 C CB -1.289 26.350 27.740 -0.168 0.000 2.593 205 C HN 0.540 8.826 8.230 0.093 0.000 0.639 206 P HA -0.171 4.230 4.420 -0.032 0.000 0.215 206 P C 1.123 178.388 177.300 -0.058 0.000 1.157 206 P CA 2.471 65.539 63.100 -0.054 0.000 0.863 206 P CB 0.481 32.150 31.700 -0.052 0.000 0.787 207 N N -0.706 117.918 118.700 -0.126 0.000 2.142 207 N HA -0.327 4.395 4.740 -0.031 0.000 0.186 207 N C 1.625 177.162 175.510 0.044 0.000 1.023 207 N CA 3.220 56.217 53.050 -0.088 0.000 0.852 207 N CB -1.553 36.813 38.487 -0.201 0.000 0.998 207 N HN 0.564 8.831 8.380 -0.188 0.000 0.424 208 H N -0.159 118.920 119.070 0.014 0.000 2.482 208 H HA -0.016 4.556 4.556 0.028 0.000 0.286 208 H C 1.557 176.891 175.328 0.010 0.000 1.017 208 H CA 1.328 57.388 56.048 0.019 0.000 1.322 208 H CB 0.276 30.051 29.762 0.022 0.000 1.426 208 H HN -0.421 7.736 8.280 -0.206 0.000 0.546 209 E N 0.257 120.523 120.200 0.109 0.000 2.106 209 E HA -0.332 4.039 4.350 0.034 0.000 0.192 209 E C 1.988 178.601 176.600 0.021 0.000 0.984 209 E CA 2.182 58.606 56.400 0.040 0.000 0.806 209 E CB 0.095 29.799 29.700 0.007 0.000 0.750 209 E HN -0.023 8.275 8.360 0.081 0.111 0.458 210 L N -1.242 119.995 121.223 0.023 0.000 2.079 210 L HA -0.280 4.054 4.340 -0.011 0.000 0.210 210 L C 0.150 177.025 176.870 0.007 0.000 1.081 210 L CA 1.471 56.315 54.840 0.006 0.000 0.752 210 L CB 0.311 42.376 42.059 0.011 0.000 0.896 210 L HN -0.656 7.591 8.230 0.029 0.000 0.433 211 S N -1.961 113.766 115.700 0.045 0.000 2.561 211 S HA -0.268 4.240 4.470 0.064 0.000 0.294 211 S C 0.091 174.684 174.600 -0.012 0.000 1.294 211 S CA 0.587 58.822 58.200 0.059 0.000 1.055 211 S CB 0.628 63.898 63.200 0.116 0.000 0.819 211 S HN -0.590 7.750 8.310 0.073 0.014 0.503 212 R N 3.911 124.342 120.500 -0.115 0.000 2.623 212 R HA -0.123 4.041 4.340 -0.293 0.000 0.271 212 R C 0.538 176.649 176.300 -0.315 0.000 1.043 212 R CA 1.140 56.997 56.100 -0.405 0.000 1.083 212 R CB 0.365 30.085 30.300 -0.966 0.000 0.974 212 R HN 0.362 8.600 8.270 -0.053 0.000 0.436 213 E N 3.098 123.158 120.200 -0.235 0.000 2.150 213 E HA -0.247 4.110 4.350 0.012 0.000 0.193 213 E C -0.199 176.453 176.600 0.087 0.000 0.985 213 E CA 1.727 58.095 56.400 -0.052 0.000 0.814 213 E CB 0.135 29.796 29.700 -0.066 0.000 0.752 213 E HN 0.402 8.611 8.360 -0.253 0.000 0.466 214 F N -5.377 114.572 119.950 -0.003 0.000 3.027 214 F HA -0.240 4.288 4.527 0.002 0.000 0.276 214 F C 0.245 176.047 175.800 0.003 0.000 0.967 214 F CA 0.117 58.118 58.000 0.001 0.000 0.929 214 F CB -2.681 36.320 39.000 0.002 0.000 0.873 214 F HN -0.180 7.814 8.300 -0.470 0.024 0.787 215 N N -0.384 118.385 118.700 0.116 0.000 2.512 215 N HA -0.265 4.531 4.740 0.094 0.000 0.183 215 N C -0.147 175.413 175.510 0.083 0.000 1.073 215 N CA 0.592 53.694 53.050 0.086 0.000 0.911 215 N CB 0.081 38.594 38.487 0.044 0.000 0.964 215 N HN 0.263 8.671 8.380 0.045 0.000 0.447 216 E N -1.015 119.243 120.200 0.096 0.000 2.491 216 E HA -0.226 4.156 4.350 0.054 0.000 0.250 216 E C 0.502 177.141 176.600 0.065 0.000 1.061 216 E CA 1.122 57.566 56.400 0.074 0.000 0.942 216 E CB -1.351 28.402 29.700 0.088 0.000 0.957 216 E HN -0.231 8.139 8.360 0.121 0.063 0.480 217 G N 5.183 114.010 108.800 0.045 0.000 2.153 217 G HA2 -0.461 3.512 3.960 0.022 0.000 0.252 217 G HA3 -0.461 3.516 3.960 0.029 0.000 0.252 217 G C -1.087 173.833 174.900 0.035 0.000 0.994 217 G CA 0.071 45.190 45.100 0.032 0.000 0.698 217 G HN 0.554 8.868 8.290 0.040 0.000 0.521 218 Q N -0.817 119.013 119.800 0.049 0.000 2.309 218 Q HA 0.256 4.623 4.340 0.044 0.000 0.264 218 Q C -0.638 175.400 176.000 0.063 0.000 1.008 218 Q CA -1.625 54.211 55.803 0.055 0.000 0.853 218 Q CB 1.743 30.526 28.738 0.074 0.000 1.314 218 Q HN -0.355 7.910 8.270 0.055 0.038 0.448 219 I N 1.805 122.413 120.570 0.064 0.000 2.716 219 I HA -0.178 4.031 4.170 0.065 0.000 0.259 219 I C -0.888 175.343 176.117 0.189 0.000 1.172 219 I CA 0.265 61.613 61.300 0.082 0.000 1.478 219 I CB 0.729 38.752 38.000 0.037 0.000 1.104 219 I HN 0.175 8.417 8.210 0.052 0.000 0.439 220 A N -0.827 122.097 122.820 0.173 0.000 2.536 220 A HA 0.465 5.050 4.320 0.441 0.000 0.329 220 A C -2.909 174.707 177.584 0.054 0.000 1.321 220 A CA -2.991 49.177 52.037 0.218 0.000 0.804 220 A CB 0.677 19.800 19.000 0.205 0.000 1.126 220 A HN -0.125 8.064 8.150 0.114 0.029 0.480 221 P HA 0.360 4.802 4.420 0.037 0.000 0.271 221 P C -1.212 176.058 177.300 -0.050 0.000 1.216 221 P CA -1.377 61.722 63.100 -0.002 0.000 0.776 221 P CB -0.407 31.298 31.700 0.009 0.000 0.881 222 P HA -0.141 4.267 4.420 -0.020 0.000 0.223 222 P C 0.046 177.290 177.300 -0.092 0.000 1.144 222 P CA 1.711 64.794 63.100 -0.028 0.000 0.783 222 P CB 0.198 31.909 31.700 0.018 0.000 0.771 223 S N -5.159 110.447 115.700 -0.157 0.000 2.420 223 S HA -0.314 4.029 4.470 -0.211 0.000 0.237 223 S C -0.167 174.162 174.600 -0.452 0.000 1.023 223 S CA 2.234 60.251 58.200 -0.304 0.000 0.991 223 S CB 0.038 62.999 63.200 -0.399 0.000 0.792 223 S HN -0.204 7.979 8.310 -0.120 0.055 0.488 224 H N -0.033 118.866 119.070 -0.285 0.000 2.467 224 H HA 0.143 4.584 4.556 -0.192 0.000 0.326 224 H C -0.303 174.919 175.328 -0.176 0.000 1.094 224 H CA -0.292 55.586 56.048 -0.284 0.000 1.253 224 H CB 1.018 30.407 29.762 -0.622 0.000 1.439 224 H HN -0.771 7.336 8.280 -0.226 0.037 0.479 225 L N 3.486 124.706 121.223 -0.004 0.000 2.083 225 L HA -0.199 4.153 4.340 0.019 0.000 0.209 225 L C -0.345 176.515 176.870 -0.017 0.000 1.083 225 L CA 2.134 56.980 54.840 0.011 0.000 0.752 225 L CB 0.652 42.725 42.059 0.024 0.000 0.899 225 L HN 0.501 8.728 8.230 -0.005 0.000 0.433 226 I N -4.965 115.574 120.570 -0.053 0.000 2.392 226 I HA 0.299 4.393 4.170 -0.356 -0.137 0.295 226 I C -0.425 175.640 176.117 -0.086 0.000 0.985 226 I CA -0.783 60.394 61.300 -0.205 0.000 1.221 226 I CB 0.872 38.716 38.000 -0.261 0.000 1.366 226 I HN -0.693 7.505 8.210 -0.002 0.011 0.467 227 R N 4.299 124.708 120.500 -0.151 0.000 2.837 227 R HA 0.502 5.028 4.340 0.311 0.000 0.271 227 R C -1.556 174.723 176.300 -0.035 0.000 0.993 227 R CA -2.171 53.957 56.100 0.047 0.000 0.931 227 R CB 4.415 34.734 30.300 0.032 0.000 1.206 227 R HN 0.075 8.156 8.270 -0.314 0.000 0.474 228 V N 0.485 120.419 119.914 0.033 0.000 2.612 228 V HA 0.505 4.845 4.120 0.084 -0.169 0.301 228 V C -0.635 175.485 176.094 0.043 0.000 1.046 228 V CA -1.252 61.066 62.300 0.030 0.000 0.946 228 V CB 1.828 33.632 31.823 -0.031 0.000 1.003 228 V HN -0.229 8.033 8.190 0.120 0.000 0.459 229 E N 5.180 125.410 120.200 0.050 0.000 2.176 229 E HA 0.215 4.585 4.350 0.032 0.000 0.267 229 E C -0.451 176.162 176.600 0.022 0.000 0.893 229 E CA -1.337 55.084 56.400 0.034 0.000 0.761 229 E CB 2.135 31.858 29.700 0.038 0.000 1.133 229 E HN 0.295 8.699 8.360 0.074 0.000 0.409 230 G N 5.638 114.446 108.800 0.015 0.000 2.131 230 G HA2 -0.292 3.673 3.960 0.008 0.000 0.201 230 G HA3 -0.292 3.672 3.960 0.006 0.000 0.201 230 G C -1.424 173.480 174.900 0.008 0.000 1.000 230 G CA -0.070 45.035 45.100 0.008 0.000 0.680 230 G HN 0.403 8.702 8.290 0.015 0.000 0.514 231 N N -0.282 118.423 118.700 0.008 0.000 2.549 231 N HA 0.175 4.944 4.740 0.049 0.000 0.281 231 N C 0.462 175.972 175.510 -0.000 0.000 1.084 231 N CA -0.939 52.126 53.050 0.025 0.000 0.862 231 N CB 0.606 39.104 38.487 0.018 0.000 1.333 231 N HN -0.413 7.970 8.380 0.004 0.000 0.523 232 S N 5.063 120.742 115.700 -0.035 0.000 2.469 232 S HA -0.179 4.224 4.470 -0.112 0.000 0.238 232 S C 0.401 174.836 174.600 -0.275 0.000 0.998 232 S CA 2.285 60.382 58.200 -0.173 0.000 0.957 232 S CB -0.097 62.945 63.200 -0.263 0.000 0.764 232 S HN 0.578 8.891 8.310 0.006 0.000 0.514 233 H N 0.626 119.668 119.070 -0.048 0.000 2.529 233 H HA 0.156 4.683 4.556 -0.050 0.000 0.277 233 H C -0.698 174.568 175.328 -0.103 0.000 1.004 233 H CA -0.358 55.654 56.048 -0.060 0.000 1.167 233 H CB -0.079 29.654 29.762 -0.050 0.000 1.445 233 H HN -0.846 7.669 8.280 0.111 -0.168 0.554 234 A N 0.322 123.111 122.820 -0.052 0.000 2.520 234 A HA -0.037 4.327 4.320 -0.198 -0.163 0.245 234 A C -1.073 176.319 177.584 -0.320 0.000 1.072 234 A CA 0.601 52.516 52.037 -0.204 0.000 0.761 234 A CB 0.474 19.348 19.000 -0.210 0.000 1.004 234 A HN -0.667 7.287 8.150 -0.043 0.171 0.499 235 Q N 2.539 122.070 119.800 -0.449 0.000 2.456 235 Q HA 0.362 4.509 4.340 -0.323 0.000 0.283 235 Q C -1.662 173.947 176.000 -0.652 0.000 1.084 235 Q CA -1.550 54.001 55.803 -0.420 0.000 0.801 235 Q CB 4.904 33.547 28.738 -0.159 0.000 1.434 235 Q HN -0.214 7.806 8.270 -0.417 0.000 0.419 236 Y N -0.231 119.940 120.300 -0.215 0.000 2.509 236 Y HA 0.721 5.237 4.550 -0.270 -0.128 0.341 236 Y C 0.061 175.900 175.900 -0.103 0.000 1.038 236 Y CA -1.381 56.532 58.100 -0.312 0.000 1.089 236 Y CB 2.642 40.513 38.460 -0.982 0.000 1.241 236 Y HN 0.176 8.452 8.280 -0.006 0.000 0.468 237 V N -2.719 117.261 119.914 0.110 0.000 3.040 237 V HA 0.591 4.775 4.120 0.107 0.000 0.312 237 V C -2.039 174.132 176.094 0.129 0.000 1.115 237 V CA -2.704 59.657 62.300 0.102 0.000 0.998 237 V CB 3.555 35.403 31.823 0.041 0.000 1.042 237 V HN 0.601 8.849 8.190 0.097 0.000 0.433 238 E N 2.349 122.604 120.200 0.092 0.000 2.210 238 E HA 0.212 4.745 4.350 0.077 -0.137 0.266 238 E C -1.301 175.313 176.600 0.025 0.000 0.883 238 E CA -2.005 54.433 56.400 0.064 0.000 0.761 238 E CB 2.771 32.502 29.700 0.050 0.000 1.156 238 E HN 0.076 8.481 8.360 0.075 0.000 0.412 239 D N 7.018 127.425 120.400 0.011 0.000 2.412 239 D HA 0.076 4.713 4.640 -0.005 0.000 0.257 239 D C 0.634 176.910 176.300 -0.040 0.000 1.217 239 D CA -1.107 52.887 54.000 -0.011 0.000 0.897 239 D CB 1.564 42.355 40.800 -0.013 0.000 1.132 239 D HN 0.147 8.529 8.370 0.020 0.000 0.493 240 P HA -0.049 4.338 4.420 -0.054 0.000 0.220 240 P C -0.382 176.831 177.300 -0.145 0.000 1.148 240 P CA 1.729 64.791 63.100 -0.064 0.000 0.803 240 P CB 0.436 32.116 31.700 -0.034 0.000 0.782 241 I N -2.829 117.646 120.570 -0.158 0.000 2.899 241 I HA 0.017 3.884 4.170 -0.506 0.000 0.257 241 I C 1.440 177.386 176.117 -0.284 0.000 1.115 241 I CA 1.463 62.583 61.300 -0.300 0.000 1.451 241 I CB 1.144 39.046 38.000 -0.163 0.000 1.251 241 I HN 0.124 8.491 8.210 -0.100 -0.217 0.456 242 T N -4.675 109.792 114.554 -0.145 0.000 3.134 242 T HA 0.221 4.501 4.350 -0.118 0.000 0.260 242 T C 0.776 175.439 174.700 -0.061 0.000 1.027 242 T CA -0.171 61.872 62.100 -0.095 0.000 0.913 242 T CB 1.401 70.244 68.868 -0.042 0.000 1.046 242 T HN 0.148 8.839 8.240 -0.103 -0.512 0.553 243 G N 1.523 110.280 108.800 -0.072 0.000 2.347 243 G HA2 -0.432 3.496 3.960 -0.053 0.000 0.247 243 G HA3 -0.432 3.506 3.960 -0.036 0.000 0.247 243 G C 0.234 175.126 174.900 -0.013 0.000 1.037 243 G CA 0.197 45.271 45.100 -0.043 0.000 0.622 243 G HN -0.499 7.682 8.290 -0.095 0.053 0.521 244 R N 1.070 121.570 120.500 -0.001 0.000 2.619 244 R HA -0.246 4.107 4.340 0.021 0.000 0.268 244 R C -0.513 175.805 176.300 0.029 0.000 0.990 244 R CA 0.882 56.992 56.100 0.017 0.000 1.092 244 R CB -0.016 30.295 30.300 0.018 0.000 0.935 244 R HN -0.360 7.803 8.270 -0.009 0.101 0.415 245 Q N 1.400 121.224 119.800 0.042 0.000 2.266 245 Q HA 0.711 5.253 4.340 0.116 -0.132 0.261 245 Q C -0.432 175.626 176.000 0.097 0.000 0.985 245 Q CA -0.508 55.353 55.803 0.097 0.000 0.873 245 Q CB 2.668 31.466 28.738 0.100 0.000 1.306 245 Q HN 0.448 8.735 8.270 0.028 0.000 0.447 246 S N -1.052 114.726 115.700 0.129 0.000 2.570 246 S HA 0.557 5.147 4.470 0.048 -0.092 0.270 246 S C -2.492 172.150 174.600 0.069 0.000 1.149 246 S CA -1.125 57.118 58.200 0.072 0.000 0.837 246 S CB 3.538 66.759 63.200 0.035 0.000 1.124 246 S HN 0.100 8.515 8.310 0.175 0.000 0.465 247 V N 1.159 121.058 119.914 -0.025 0.000 2.769 247 V HA 0.718 4.781 4.120 -0.306 -0.127 0.312 247 V C -2.611 173.366 176.094 -0.196 0.000 1.061 247 V CA -2.683 59.488 62.300 -0.215 0.000 0.931 247 V CB 3.403 35.060 31.823 -0.277 0.000 1.010 247 V HN -0.140 8.023 8.190 -0.045 0.000 0.433 248 L N 4.864 125.939 121.223 -0.248 0.000 2.354 248 L HA 0.929 5.418 4.340 -0.068 -0.189 0.264 248 L C -1.339 175.454 176.870 -0.129 0.000 1.008 248 L CA -1.833 52.930 54.840 -0.128 0.000 0.819 248 L CB 3.308 45.308 42.059 -0.098 0.000 1.339 248 L HN 0.520 8.516 8.230 -0.389 0.000 0.420 249 V N -7.467 112.415 119.914 -0.054 0.000 3.120 249 V HA 0.685 4.775 4.120 -0.050 0.000 0.303 249 V C -2.891 173.197 176.094 -0.011 0.000 1.238 249 V CA -3.891 58.387 62.300 -0.037 0.000 1.008 249 V CB 2.706 34.516 31.823 -0.022 0.000 1.064 249 V HN 0.219 8.396 8.190 -0.022 0.000 0.434 250 P HA 0.188 4.729 4.420 0.001 -0.120 0.276 250 P C -1.554 175.760 177.300 0.024 0.000 1.230 250 P CA -0.688 62.402 63.100 -0.016 0.000 0.776 250 P CB 0.424 32.070 31.700 -0.090 0.000 0.888 251 Y N 5.148 125.407 120.300 -0.068 0.000 2.402 251 Y HA -0.163 4.364 4.550 -0.039 0.000 0.333 251 Y C -1.297 174.564 175.900 -0.065 0.000 1.076 251 Y CA 0.408 58.474 58.100 -0.057 0.000 1.299 251 Y CB 0.990 39.411 38.460 -0.064 0.000 1.197 251 Y HN -0.293 8.090 8.280 0.171 0.000 0.517 252 E N 7.962 127.992 120.200 -0.283 0.000 2.250 252 E HA 0.283 4.622 4.350 -0.018 0.000 0.265 252 E C -2.427 174.076 176.600 -0.161 0.000 1.033 252 E CA -3.290 53.023 56.400 -0.145 0.000 0.888 252 E CB 0.672 30.269 29.700 -0.172 0.000 1.151 252 E HN 0.090 8.138 8.360 -0.521 0.000 0.412 253 P HA 0.074 4.596 4.420 0.170 0.000 0.269 253 P C -2.215 175.037 177.300 -0.081 0.000 1.217 253 P CA -0.981 62.136 63.100 0.028 0.000 0.783 253 P CB -0.426 31.275 31.700 0.001 0.000 0.898 254 P HA -0.219 4.191 4.420 -0.192 -0.105 0.267 254 P C -0.327 176.838 177.300 -0.225 0.000 1.200 254 P CA -0.246 62.759 63.100 -0.159 0.000 0.772 254 P CB 0.798 32.425 31.700 -0.121 0.000 0.855 255 Q N 0.859 120.451 119.800 -0.347 0.000 2.395 255 Q HA -0.125 4.090 4.340 -0.208 0.000 0.271 255 Q C 0.450 176.290 176.000 -0.267 0.000 1.026 255 Q CA 0.451 56.072 55.803 -0.303 0.000 0.900 255 Q CB 0.616 29.117 28.738 -0.395 0.000 1.266 255 Q HN -0.188 7.807 8.270 -0.457 0.000 0.430 256 V N 1.475 121.285 119.914 -0.173 0.000 2.529 256 V HA -0.424 3.624 4.120 -0.120 0.000 0.292 256 V C 1.370 177.386 176.094 -0.130 0.000 1.028 256 V CA 2.265 64.488 62.300 -0.128 0.000 1.074 256 V CB -0.504 31.268 31.823 -0.085 0.000 0.958 256 V HN 0.338 8.440 8.190 -0.146 0.000 0.481 257 G N 6.848 115.578 108.800 -0.117 0.000 2.213 257 G HA2 -0.233 3.689 3.960 -0.064 0.000 0.226 257 G HA3 -0.233 3.680 3.960 -0.078 0.000 0.226 257 G C -0.918 173.914 174.900 -0.113 0.000 0.992 257 G CA -0.263 44.782 45.100 -0.091 0.000 0.632 257 G HN 0.487 8.712 8.290 -0.109 0.000 0.511 258 T N -0.236 114.192 114.554 -0.210 0.000 2.812 258 T HA 0.257 4.549 4.350 -0.096 0.000 0.294 258 T C -1.865 172.666 174.700 -0.282 0.000 1.159 258 T CA -1.793 60.163 62.100 -0.240 0.000 1.008 258 T CB 1.585 70.204 68.868 -0.416 0.000 1.289 258 T HN -0.612 7.404 8.240 -0.256 0.071 0.514 259 E N -0.387 119.722 120.200 -0.151 0.000 2.501 259 E HA 0.153 4.455 4.350 -0.080 0.000 0.200 259 E C -1.345 175.259 176.600 0.005 0.000 1.016 259 E CA -0.727 55.639 56.400 -0.055 0.000 0.921 259 E CB 0.264 29.983 29.700 0.033 0.000 1.034 259 E HN 0.212 8.559 8.360 -0.022 0.000 0.468 260 F N -4.379 115.553 119.950 -0.031 0.000 2.594 260 F HA 0.800 5.390 4.527 -0.021 -0.075 0.335 260 F C -1.955 173.795 175.800 -0.083 0.000 1.058 260 F CA -3.096 54.874 58.000 -0.050 0.000 0.981 260 F CB 1.875 40.825 39.000 -0.082 0.000 1.289 260 F HN -1.005 6.806 8.300 -0.705 0.066 0.490 261 T N 0.667 115.347 114.554 0.210 0.000 2.885 261 T HA 0.326 4.593 4.350 -0.137 0.000 0.285 261 T C -0.859 173.875 174.700 0.057 0.000 1.019 261 T CA -0.584 61.498 62.100 -0.030 0.000 1.010 261 T CB 2.447 71.132 68.868 -0.305 0.000 1.022 261 T HN 0.014 8.404 8.240 0.250 0.000 0.466 262 T N 5.694 120.236 114.554 -0.020 0.000 2.823 262 T HA 0.548 5.014 4.350 -0.080 -0.164 0.279 262 T C -1.114 173.499 174.700 -0.145 0.000 0.998 262 T CA -0.314 61.758 62.100 -0.047 0.000 0.994 262 T CB 1.737 70.635 68.868 0.050 0.000 0.960 262 T HN 0.150 8.336 8.240 -0.089 0.000 0.448 263 V N 5.904 125.681 119.914 -0.228 0.000 2.709 263 V HA 0.232 4.271 4.120 -0.135 0.000 0.308 263 V C -2.355 173.570 176.094 -0.282 0.000 1.062 263 V CA -1.040 61.123 62.300 -0.227 0.000 0.901 263 V CB 3.431 35.090 31.823 -0.272 0.000 1.003 263 V HN 0.734 8.748 8.190 -0.295 0.000 0.425 264 L N 4.813 125.970 121.223 -0.111 0.000 2.265 264 L HA 0.285 4.531 4.340 -0.157 0.000 0.289 264 L C -1.331 175.616 176.870 0.128 0.000 1.033 264 L CA -0.907 53.895 54.840 -0.063 0.000 0.814 264 L CB 0.288 42.339 42.059 -0.014 0.000 1.203 264 L HN 0.698 8.904 8.230 -0.041 0.000 0.423 265 Y N 3.815 124.024 120.300 -0.152 0.000 2.457 265 Y HA 0.703 5.302 4.550 -0.194 -0.165 0.333 265 Y C -0.637 175.110 175.900 -0.256 0.000 1.119 265 Y CA -3.578 54.389 58.100 -0.222 0.000 1.143 265 Y CB 3.318 41.627 38.460 -0.251 0.000 1.230 265 Y HN -0.196 8.066 8.280 -0.031 0.000 0.469 266 N N -1.574 116.990 118.700 -0.228 0.000 2.235 266 N HA 0.421 5.169 4.740 0.013 0.000 0.293 266 N C -1.596 173.696 175.510 -0.363 0.000 1.083 266 N CA -0.384 52.572 53.050 -0.157 0.000 0.801 266 N CB 4.155 42.628 38.487 -0.023 0.000 1.559 266 N HN 0.160 8.358 8.380 -0.304 0.000 0.472 267 F N -0.190 119.796 119.950 0.060 0.000 2.458 267 F HA 0.579 5.282 4.527 0.029 -0.159 0.336 267 F C 0.295 176.108 175.800 0.023 0.000 1.114 267 F CA -0.873 57.151 58.000 0.040 0.000 0.987 267 F CB 2.234 41.266 39.000 0.053 0.000 1.130 267 F HN 0.619 9.136 8.300 0.363 0.000 0.458 268 M N 0.708 120.400 119.600 0.153 0.000 2.383 268 M HA 0.259 4.778 4.480 0.064 0.000 0.247 268 M C -1.273 175.061 176.300 0.056 0.000 1.117 268 M CA -0.486 54.859 55.300 0.076 0.000 0.995 268 M CB -0.193 32.428 32.600 0.036 0.000 1.480 268 M HN -0.096 8.276 8.290 0.135 0.000 0.485 269 C N -2.142 117.221 119.300 0.104 0.000 3.171 269 C HA 0.218 4.681 4.460 0.005 0.000 0.308 269 C C -1.552 173.486 174.990 0.080 0.000 1.334 269 C CA -0.896 58.170 59.018 0.079 0.000 1.473 269 C CB 3.873 31.688 27.740 0.125 0.000 1.866 269 C HN -0.105 8.176 8.230 0.175 0.054 0.465 270 N N -0.318 118.425 118.700 0.071 0.000 2.381 270 N HA 0.207 4.955 4.740 0.013 0.000 0.294 270 N C 0.504 176.041 175.510 0.045 0.000 1.216 270 N CA -1.233 51.841 53.050 0.041 0.000 0.803 270 N CB 1.465 39.975 38.487 0.038 0.000 1.372 270 N HN -0.087 8.355 8.380 0.104 0.000 0.500 271 S N -0.254 115.454 115.700 0.015 0.000 2.400 271 S HA -0.320 4.149 4.470 -0.002 0.000 0.232 271 S C 0.922 175.539 174.600 0.029 0.000 1.025 271 S CA 4.301 62.506 58.200 0.009 0.000 0.993 271 S CB 0.192 63.391 63.200 -0.002 0.000 0.808 271 S HN 0.272 8.582 8.310 0.001 0.000 0.478 272 S N -1.548 114.177 115.700 0.041 0.000 2.597 272 S HA 0.239 4.726 4.470 0.029 0.000 0.224 272 S C -0.464 174.167 174.600 0.051 0.000 0.955 272 S CA -0.723 57.501 58.200 0.039 0.000 0.933 272 S CB 0.126 63.347 63.200 0.036 0.000 0.788 272 S HN -0.500 7.894 8.310 0.045 -0.057 0.488 273 C N 1.964 121.311 119.300 0.077 0.000 2.303 273 C HA 0.377 4.865 4.460 0.046 0.000 0.341 273 C C -0.398 174.598 174.990 0.010 0.000 1.244 273 C CA -1.844 57.215 59.018 0.070 0.000 1.765 273 C CB -0.059 27.820 27.740 0.232 0.000 2.379 273 C HN -0.511 7.766 8.230 0.087 0.005 0.530 274 V N 7.415 127.314 119.914 -0.025 0.000 2.763 274 V HA -0.260 3.862 4.120 0.004 0.000 0.306 274 V C 1.131 177.206 176.094 -0.032 0.000 1.059 274 V CA 1.531 63.819 62.300 -0.019 0.000 1.138 274 V CB 0.253 32.061 31.823 -0.025 0.000 0.940 274 V HN 0.448 8.617 8.190 -0.035 0.000 0.489 275 G N 4.344 113.144 108.800 -0.000 0.000 2.194 275 G HA2 -0.210 3.759 3.960 0.016 0.000 0.236 275 G HA3 -0.210 3.736 3.960 -0.022 0.000 0.236 275 G C -1.614 173.302 174.900 0.026 0.000 0.987 275 G CA 0.020 45.122 45.100 0.003 0.000 0.635 275 G HN 0.397 8.698 8.290 0.017 0.000 0.520 276 G N -0.464 108.360 108.800 0.040 0.000 2.665 276 G HA2 0.362 4.496 3.960 0.050 0.000 0.204 276 G HA3 0.362 4.359 3.960 0.061 0.000 0.204 276 G C 0.338 175.269 174.900 0.052 0.000 1.883 276 G CA -0.683 44.449 45.100 0.052 0.000 0.734 276 G HN -0.677 7.561 8.290 0.033 0.071 0.811 277 M N 0.471 120.092 119.600 0.036 0.000 2.213 277 M HA -0.189 4.267 4.480 -0.040 0.000 0.263 277 M C 0.110 176.442 176.300 0.054 0.000 1.062 277 M CA 0.355 55.663 55.300 0.012 0.000 1.105 277 M CB -0.110 32.492 32.600 0.003 0.000 1.385 277 M HN 0.152 8.471 8.290 0.049 0.000 0.417 278 N N -3.214 115.517 118.700 0.051 0.000 2.699 278 N HA -0.543 4.215 4.740 0.031 0.000 0.256 278 N C -0.755 174.773 175.510 0.030 0.000 0.993 278 N CA 0.770 53.847 53.050 0.044 0.000 0.759 278 N CB -2.091 36.434 38.487 0.063 0.000 0.906 278 N HN -0.438 7.954 8.380 0.047 0.015 0.541 279 R N -9.225 111.287 120.500 0.020 0.000 3.741 279 R HA -0.480 3.865 4.340 0.008 0.000 0.292 279 R C -0.528 175.769 176.300 -0.005 0.000 1.176 279 R CA 1.882 57.987 56.100 0.008 0.000 0.794 279 R CB -1.508 28.795 30.300 0.006 0.000 1.213 279 R HN -0.007 8.277 8.270 0.023 0.000 0.494 280 R N -1.009 119.495 120.500 0.007 0.000 2.320 280 R HA 0.425 4.732 4.340 -0.054 0.000 0.319 280 R C -2.170 174.133 176.300 0.005 0.000 0.969 280 R CA -3.356 52.741 56.100 -0.004 0.000 0.857 280 R CB 1.418 31.756 30.300 0.062 0.000 1.160 280 R HN -0.262 7.867 8.270 0.027 0.157 0.491 281 P HA -0.033 4.357 4.420 -0.051 0.000 0.267 281 P C -1.427 175.852 177.300 -0.035 0.000 1.200 281 P CA 0.064 63.145 63.100 -0.033 0.000 0.772 281 P CB 0.650 32.334 31.700 -0.026 0.000 0.855 282 I N -5.336 115.183 120.570 -0.085 0.000 3.322 282 I HA 0.406 4.622 4.170 -0.055 -0.080 0.313 282 I C -2.053 173.992 176.117 -0.121 0.000 1.129 282 I CA -1.957 59.276 61.300 -0.111 0.000 0.963 282 I CB 3.957 41.827 38.000 -0.217 0.000 1.273 282 I HN -0.593 7.558 8.210 -0.099 0.000 0.473 283 L N -2.290 118.854 121.223 -0.132 0.000 2.354 283 L HA 0.558 4.845 4.340 -0.235 -0.087 0.269 283 L C -1.572 175.135 176.870 -0.271 0.000 1.005 283 L CA -1.278 53.446 54.840 -0.194 0.000 0.819 283 L CB 4.210 46.204 42.059 -0.108 0.000 1.311 283 L HN 0.427 8.589 8.230 -0.113 0.000 0.423 284 I N 0.029 120.281 120.570 -0.531 0.000 2.433 284 I HA 0.481 4.672 4.170 -0.242 -0.166 0.292 284 I C -1.077 174.831 176.117 -0.350 0.000 1.001 284 I CA -1.115 59.885 61.300 -0.499 0.000 1.119 284 I CB 2.605 40.106 38.000 -0.832 0.000 1.289 284 I HN 0.444 8.197 8.210 -0.762 0.000 0.438 285 I N 6.974 127.501 120.570 -0.071 0.000 2.354 285 I HA 0.140 4.363 4.170 0.088 0.000 0.292 285 I C -1.564 174.668 176.117 0.191 0.000 0.989 285 I CA -0.702 60.640 61.300 0.071 0.000 1.188 285 I CB 1.593 39.627 38.000 0.055 0.000 1.342 285 I HN 0.208 8.389 8.210 -0.050 0.000 0.457 286 V N 9.038 129.139 119.914 0.312 0.000 2.448 286 V HA 0.971 5.531 4.120 0.319 -0.249 0.295 286 V C -0.578 175.776 176.094 0.434 0.000 1.025 286 V CA -2.458 60.074 62.300 0.387 0.000 0.859 286 V CB 1.643 33.756 31.823 0.484 0.000 0.988 286 V HN 0.668 9.055 8.190 0.329 0.000 0.431 287 T N 4.772 119.470 114.554 0.241 0.000 2.907 287 T HA 0.543 5.053 4.350 0.092 -0.105 0.292 287 T C -1.982 172.517 174.700 -0.335 0.000 1.043 287 T CA -2.704 59.399 62.100 0.005 0.000 1.003 287 T CB 3.010 71.888 68.868 0.015 0.000 1.084 287 T HN 0.402 8.756 8.240 0.190 0.000 0.483 288 L N 3.276 123.994 121.223 -0.842 0.000 2.282 288 L HA 0.479 4.579 4.340 -0.400 0.000 0.288 288 L C -2.107 174.569 176.870 -0.323 0.000 1.033 288 L CA -0.759 53.698 54.840 -0.639 0.000 0.807 288 L CB 2.502 43.936 42.059 -1.042 0.000 1.209 288 L HN 0.436 8.002 8.230 -1.106 0.000 0.423 289 E N 5.318 125.403 120.200 -0.191 0.000 2.317 289 E HA 0.698 5.103 4.350 -0.103 -0.117 0.270 289 E C -0.467 176.077 176.600 -0.093 0.000 0.885 289 E CA -2.393 53.939 56.400 -0.113 0.000 0.760 289 E CB 4.734 34.388 29.700 -0.076 0.000 1.227 289 E HN 0.363 8.622 8.360 -0.169 0.000 0.434 290 T N -1.125 113.390 114.554 -0.066 0.000 2.874 290 T HA 0.399 4.706 4.350 -0.072 0.000 0.281 290 T C 1.055 175.730 174.700 -0.042 0.000 0.994 290 T CA -2.424 59.643 62.100 -0.055 0.000 1.015 290 T CB 1.766 70.613 68.868 -0.034 0.000 1.028 290 T HN 0.438 8.646 8.240 -0.054 0.000 0.523 291 R N 2.130 122.607 120.500 -0.038 0.000 2.159 291 R HA -0.357 3.965 4.340 -0.030 0.000 0.237 291 R C -0.409 175.877 176.300 -0.023 0.000 1.131 291 R CA 3.052 59.135 56.100 -0.030 0.000 0.982 291 R CB -0.167 30.117 30.300 -0.028 0.000 0.868 291 R HN 0.652 8.897 8.270 -0.042 0.000 0.453 292 D N -4.534 115.853 120.400 -0.021 0.000 2.328 292 D HA -0.030 4.602 4.640 -0.013 0.000 0.221 292 D C 0.263 176.553 176.300 -0.015 0.000 1.072 292 D CA -0.775 53.215 54.000 -0.015 0.000 0.850 292 D CB -1.325 39.467 40.800 -0.013 0.000 0.922 292 D HN -0.668 7.640 8.370 -0.023 0.048 0.516 293 G N -0.412 108.377 108.800 -0.019 0.000 2.132 293 G HA2 -0.485 3.463 3.960 -0.020 0.000 0.228 293 G HA3 -0.485 3.467 3.960 -0.014 0.000 0.228 293 G C -0.930 173.959 174.900 -0.020 0.000 1.000 293 G CA 0.083 45.172 45.100 -0.018 0.000 0.693 293 G HN -0.224 7.882 8.290 -0.023 0.171 0.515 294 Q N -0.913 118.874 119.800 -0.021 0.000 2.274 294 Q HA 0.244 4.573 4.340 -0.018 0.000 0.260 294 Q C -1.229 174.757 176.000 -0.023 0.000 0.974 294 Q CA -1.572 54.221 55.803 -0.018 0.000 0.876 294 Q CB 2.865 31.597 28.738 -0.011 0.000 1.297 294 Q HN -0.518 7.909 8.270 -0.022 -0.170 0.446 295 V N 4.069 123.970 119.914 -0.021 0.000 2.498 295 V HA -0.184 4.237 4.120 -0.044 -0.328 0.279 295 V C -0.305 175.797 176.094 0.013 0.000 1.048 295 V CA 0.458 62.744 62.300 -0.023 0.000 0.967 295 V CB 0.084 31.888 31.823 -0.032 0.000 0.988 295 V HN 0.492 8.669 8.190 -0.022 0.000 0.473 296 L N 5.845 127.066 121.223 -0.004 0.000 2.286 296 L HA 0.376 4.768 4.340 0.087 0.000 0.203 296 L C -0.636 176.306 176.870 0.121 0.000 1.068 296 L CA 1.201 56.077 54.840 0.059 0.000 0.811 296 L CB 0.960 43.046 42.059 0.046 0.000 0.989 296 L HN 0.541 8.731 8.230 -0.068 0.000 0.467 297 G N -5.810 103.009 108.800 0.032 0.000 2.703 297 G HA2 0.466 4.802 3.960 0.412 0.000 0.294 297 G HA3 0.466 4.601 3.960 0.293 0.000 0.294 297 G C -3.109 171.923 174.900 0.219 0.000 1.451 297 G CA 0.591 45.827 45.100 0.227 0.000 0.869 297 G HN -0.793 7.421 8.290 -0.126 0.000 0.516 298 R N 0.005 120.804 120.500 0.498 0.000 2.574 298 R HA 0.625 5.243 4.340 0.463 0.000 0.288 298 R C -1.706 174.888 176.300 0.489 0.000 1.004 298 R CA -0.918 55.461 56.100 0.465 0.000 0.895 298 R CB 4.427 34.885 30.300 0.262 0.000 1.191 298 R HN 0.236 8.826 8.270 0.533 0.000 0.444 299 R N 1.271 122.061 120.500 0.483 0.000 2.808 299 R HA 0.713 5.175 4.340 0.203 0.000 0.272 299 R C -1.836 174.623 176.300 0.265 0.000 0.995 299 R CA -2.613 53.630 56.100 0.238 0.000 0.917 299 R CB 4.558 34.843 30.300 -0.025 0.000 1.217 299 R HN 0.406 9.080 8.270 0.673 0.000 0.471 300 C N -1.683 117.765 119.300 0.246 0.000 3.090 300 C HA 0.698 5.431 4.460 0.245 -0.126 0.305 300 C C -2.050 173.152 174.990 0.353 0.000 1.292 300 C CA -0.886 58.275 59.018 0.238 0.000 1.482 300 C CB 4.152 31.967 27.740 0.124 0.000 1.897 300 C HN 0.341 8.700 8.230 0.215 0.000 0.469 301 F N -2.423 117.641 119.950 0.190 0.000 2.643 301 F HA 0.470 5.090 4.527 0.155 0.000 0.314 301 F C -2.890 172.954 175.800 0.073 0.000 1.096 301 F CA -2.208 55.894 58.000 0.171 0.000 0.953 301 F CB 2.373 41.559 39.000 0.311 0.000 1.345 301 F HN 0.371 8.551 8.300 -0.198 0.000 0.468 302 E N 0.590 120.862 120.200 0.120 0.000 2.191 302 E HA 0.344 4.599 4.350 -0.159 0.000 0.278 302 E C -2.201 174.381 176.600 -0.030 0.000 0.972 302 E CA -1.634 54.730 56.400 -0.060 0.000 0.804 302 E CB 3.280 32.941 29.700 -0.064 0.000 1.110 302 E HN 0.215 8.709 8.360 0.224 0.000 0.394 303 A N 5.303 128.061 122.820 -0.103 0.000 2.365 303 A HA 0.767 5.187 4.320 -0.066 -0.139 0.318 303 A C -2.335 175.132 177.584 -0.195 0.000 1.091 303 A CA -1.573 50.414 52.037 -0.083 0.000 0.763 303 A CB 3.688 22.713 19.000 0.041 0.000 1.248 303 A HN -0.088 7.972 8.150 -0.150 0.000 0.442 304 R N 0.627 120.975 120.500 -0.253 0.000 2.621 304 R HA 0.421 4.675 4.340 -0.143 0.000 0.284 304 R C -2.346 173.868 176.300 -0.143 0.000 0.998 304 R CA -0.780 55.218 56.100 -0.171 0.000 0.895 304 R CB 4.335 34.556 30.300 -0.131 0.000 1.195 304 R HN -0.104 7.992 8.270 -0.289 0.000 0.450 305 I N 6.012 126.508 120.570 -0.124 0.000 2.339 305 I HA 0.856 5.187 4.170 -0.120 -0.234 0.290 305 I C -0.362 175.753 176.117 -0.004 0.000 0.994 305 I CA -1.053 60.186 61.300 -0.101 0.000 1.191 305 I CB 1.768 39.684 38.000 -0.139 0.000 1.343 305 I HN 0.204 8.349 8.210 -0.108 0.000 0.458 306 C N 7.063 126.383 119.300 0.033 0.000 3.291 306 C HA 0.441 4.921 4.460 0.033 0.000 0.316 306 C C -0.298 174.711 174.990 0.032 0.000 1.391 306 C CA -2.750 56.294 59.018 0.044 0.000 1.394 306 C CB 2.672 30.459 27.740 0.078 0.000 1.744 306 C HN 0.750 9.001 8.230 0.035 0.000 0.461 307 A N 1.188 124.020 122.820 0.019 0.000 1.930 307 A HA -0.157 4.175 4.320 0.019 0.000 0.217 307 A C -0.631 176.957 177.584 0.006 0.000 1.175 307 A CA 2.400 54.445 52.037 0.013 0.000 0.627 307 A CB -0.288 18.715 19.000 0.006 0.000 0.815 307 A HN 0.458 8.618 8.150 0.016 0.000 0.443 308 C N -3.003 116.291 119.300 -0.010 0.000 2.814 308 C HA 0.466 4.918 4.460 -0.015 0.000 0.269 308 C C -1.923 173.034 174.990 -0.054 0.000 1.090 308 C CA -3.797 55.204 59.018 -0.028 0.000 1.492 308 C CB 2.528 30.241 27.740 -0.045 0.000 1.825 308 C HN -0.082 8.140 8.230 -0.014 0.000 0.442 309 P HA -0.098 4.324 4.420 0.003 0.000 0.219 309 P C 1.160 178.394 177.300 -0.109 0.000 1.146 309 P CA 2.344 65.447 63.100 0.005 0.000 0.808 309 P CB 0.380 32.161 31.700 0.134 0.000 0.779 310 G N -3.805 104.943 108.800 -0.086 0.000 2.408 310 G HA2 -0.269 3.630 3.960 -0.101 0.000 0.217 310 G HA3 -0.269 3.640 3.960 -0.085 0.000 0.217 310 G C 0.902 175.711 174.900 -0.152 0.000 1.150 310 G CA 1.543 46.579 45.100 -0.107 0.000 0.776 310 G HN 0.338 8.572 8.290 -0.055 0.024 0.542 311 R N 1.116 121.524 120.500 -0.153 0.000 2.073 311 R HA -0.188 4.078 4.340 -0.124 0.000 0.229 311 R C 1.741 177.899 176.300 -0.236 0.000 1.120 311 R CA 3.154 59.162 56.100 -0.153 0.000 0.967 311 R CB 0.035 30.268 30.300 -0.112 0.000 0.862 311 R HN -0.420 7.633 8.270 -0.129 0.139 0.436 312 D N -0.885 119.290 120.400 -0.375 0.000 2.144 312 D HA -0.207 4.211 4.640 -0.370 0.000 0.200 312 D C 2.108 177.980 176.300 -0.713 0.000 0.978 312 D CA 3.328 56.970 54.000 -0.596 0.000 0.833 312 D CB -0.418 39.814 40.800 -0.948 0.000 0.961 312 D HN -0.485 7.676 8.370 -0.348 0.000 0.470 313 R N 0.196 120.263 120.500 -0.721 0.000 2.081 313 R HA -0.309 3.982 4.340 -0.311 -0.138 0.235 313 R C 2.228 178.412 176.300 -0.192 0.000 1.131 313 R CA 3.178 59.058 56.100 -0.366 0.000 0.960 313 R CB 0.127 30.319 30.300 -0.180 0.000 0.856 313 R HN -0.565 7.293 8.270 -0.686 0.000 0.436 314 K N -0.922 119.373 120.400 -0.174 0.000 2.057 314 K HA -0.230 4.198 4.320 -0.083 -0.157 0.207 314 K C 1.872 178.412 176.600 -0.100 0.000 1.049 314 K CA 3.072 59.293 56.287 -0.109 0.000 0.931 314 K CB -0.061 32.380 32.500 -0.098 0.000 0.714 314 K HN -0.617 7.512 8.250 -0.202 0.000 0.440 315 A N -1.746 120.998 122.820 -0.127 0.000 1.858 315 A HA -0.272 4.122 4.320 -0.072 -0.117 0.216 315 A C 1.734 179.278 177.584 -0.067 0.000 1.190 315 A CA 2.982 54.964 52.037 -0.092 0.000 0.617 315 A CB -0.625 18.310 19.000 -0.109 0.000 0.827 315 A HN -0.297 7.647 8.150 -0.174 0.101 0.443 316 D N -2.945 117.412 120.400 -0.072 0.000 2.144 316 D HA -0.330 4.299 4.640 -0.018 0.000 0.199 316 D C 2.251 178.535 176.300 -0.025 0.000 0.984 316 D CA 2.772 56.755 54.000 -0.028 0.000 0.834 316 D CB -0.668 40.134 40.800 0.003 0.000 0.955 316 D HN -0.525 7.776 8.370 -0.114 0.000 0.465 317 E N -0.268 119.911 120.200 -0.036 0.000 2.077 317 E HA -0.366 3.972 4.350 -0.019 0.000 0.193 317 E C 2.028 178.613 176.600 -0.025 0.000 0.989 317 E CA 2.640 59.024 56.400 -0.027 0.000 0.800 317 E CB -0.153 29.527 29.700 -0.033 0.000 0.746 317 E HN -0.876 7.444 8.360 -0.052 0.008 0.452 318 D N -0.476 119.905 120.400 -0.031 0.000 2.144 318 D HA -0.192 4.434 4.640 -0.023 0.000 0.199 318 D C 2.615 178.904 176.300 -0.020 0.000 0.984 318 D CA 3.208 57.193 54.000 -0.026 0.000 0.834 318 D CB -0.662 40.119 40.800 -0.032 0.000 0.955 318 D HN -0.188 8.078 8.370 -0.040 0.080 0.465 319 S N -0.292 115.397 115.700 -0.019 0.000 2.399 319 S HA -0.250 4.212 4.470 -0.012 0.000 0.231 319 S C 2.057 176.651 174.600 -0.009 0.000 1.022 319 S CA 3.840 62.033 58.200 -0.013 0.000 0.983 319 S CB -0.005 63.189 63.200 -0.011 0.000 0.803 319 S HN -0.375 7.812 8.310 -0.023 0.109 0.480 320 I N 1.947 122.511 120.570 -0.009 0.000 2.333 320 I HA -0.266 4.065 4.170 -0.004 -0.163 0.246 320 I C 1.653 177.766 176.117 -0.006 0.000 1.106 320 I CA 2.906 64.203 61.300 -0.006 0.000 1.411 320 I CB -0.043 37.954 38.000 -0.005 0.000 1.082 320 I HN -0.774 7.304 8.210 -0.012 0.126 0.420 321 R N 0.132 120.627 120.500 -0.009 0.000 2.091 321 R HA -0.401 3.935 4.340 -0.006 0.000 0.238 321 R C 1.041 177.336 176.300 -0.008 0.000 1.136 321 R CA 3.313 59.408 56.100 -0.008 0.000 0.959 321 R CB -0.019 30.274 30.300 -0.011 0.000 0.856 321 R HN -0.444 7.820 8.270 -0.011 0.000 0.437 322 K N -2.357 118.038 120.400 -0.009 0.000 2.057 322 K HA -0.232 4.083 4.320 -0.008 0.000 0.207 322 K C 2.370 178.966 176.600 -0.006 0.000 1.049 322 K CA 2.369 58.651 56.287 -0.008 0.000 0.931 322 K CB -0.195 32.300 32.500 -0.009 0.000 0.714 322 K HN -0.632 7.605 8.250 -0.010 0.007 0.440 323 Q N -3.485 116.312 119.800 -0.005 0.000 2.170 323 Q HA -0.233 4.105 4.340 -0.003 0.000 0.203 323 Q C 0.599 176.598 176.000 -0.003 0.000 0.976 323 Q CA 2.017 57.818 55.803 -0.003 0.000 0.858 323 Q CB 0.711 29.448 28.738 -0.002 0.000 0.907 323 Q HN -0.596 7.671 8.270 -0.006 0.000 0.433 324 Q N -1.292 118.506 119.800 -0.003 0.000 2.278 324 Q HA 0.023 4.362 4.340 -0.002 0.000 0.257 324 Q C -1.324 174.674 176.000 -0.003 0.000 0.928 324 Q CA -0.648 55.153 55.803 -0.002 0.000 0.932 324 Q CB 1.101 29.838 28.738 -0.002 0.000 1.221 324 Q HN -0.559 7.585 8.270 -0.004 0.124 0.434 325 V N 3.385 123.298 119.914 -0.002 0.000 2.435 325 V HA 0.134 4.252 4.120 -0.003 0.000 0.290 325 V C -0.230 175.863 176.094 -0.002 0.000 1.030 325 V CA -0.758 61.540 62.300 -0.003 0.000 0.881 325 V CB 1.026 32.848 31.823 -0.002 0.000 0.983 325 V HN 0.171 8.360 8.190 -0.002 0.000 0.445 326 S N 5.472 121.171 115.700 -0.002 0.000 2.508 326 S HA 0.053 4.522 4.470 -0.002 0.000 0.284 326 S C -0.722 173.877 174.600 -0.002 0.000 1.192 326 S CA -0.460 57.738 58.200 -0.002 0.000 1.070 326 S CB 0.882 64.081 63.200 -0.002 0.000 1.004 326 S HN 0.168 8.476 8.310 -0.002 0.000 0.493 327 D N 3.756 124.155 120.400 -0.002 0.000 2.317 327 D HA 0.053 4.692 4.640 -0.000 0.000 0.252 327 D C -0.312 175.987 176.300 -0.002 0.000 1.174 327 D CA -0.236 53.763 54.000 -0.002 0.000 0.866 327 D CB 0.947 41.744 40.800 -0.005 0.000 1.127 327 D HN 0.159 8.527 8.370 -0.003 0.000 0.467 328 S N 3.770 119.471 115.700 0.000 0.000 2.568 328 S HA -0.081 4.389 4.470 0.000 0.000 0.282 328 S C 0.438 175.037 174.600 -0.001 0.000 1.338 328 S CA 0.393 58.593 58.200 0.001 0.000 1.045 328 S CB 1.002 64.205 63.200 0.005 0.000 0.873 328 S HN 0.261 8.573 8.310 0.002 0.000 0.516 329 T N 0.992 115.545 114.554 -0.002 0.000 3.244 329 T HA 0.190 4.534 4.350 -0.010 0.000 0.254 329 T C 0.427 175.127 174.700 -0.001 0.000 1.024 329 T CA -0.469 61.628 62.100 -0.005 0.000 0.920 329 T CB -0.020 68.844 68.868 -0.006 0.000 1.042 329 T HN 0.190 8.430 8.240 -0.001 0.000 0.572 330 K N 0.324 120.727 120.400 0.005 0.000 2.097 330 K HA -0.216 4.111 4.320 0.011 0.000 0.206 330 K C 0.233 176.843 176.600 0.016 0.000 1.049 330 K CA 1.909 58.203 56.287 0.012 0.000 0.933 330 K CB 0.131 32.642 32.500 0.018 0.000 0.717 330 K HN 0.033 8.200 8.250 0.005 0.086 0.442 331 N N -2.030 116.676 118.700 0.009 0.000 2.362 331 N HA 0.152 4.903 4.740 0.020 0.000 0.298 331 N C 0.310 175.796 175.510 -0.041 0.000 1.048 331 N CA -0.995 52.056 53.050 0.001 0.000 0.858 331 N CB 1.615 40.111 38.487 0.016 0.000 1.218 331 N HN -0.473 7.900 8.380 0.005 0.011 0.488 332 G N 0.077 108.841 108.800 -0.059 0.000 2.422 332 G HA2 -0.241 3.688 3.960 -0.052 0.000 0.218 332 G HA3 -0.241 3.673 3.960 -0.077 0.000 0.218 332 G C -0.931 173.897 174.900 -0.119 0.000 1.146 332 G CA 1.156 46.210 45.100 -0.077 0.000 0.769 332 G HN 0.406 8.670 8.290 -0.043 0.000 0.547 333 D N -2.480 117.800 120.400 -0.200 0.000 2.653 333 D HA -0.072 4.478 4.640 -0.150 0.000 0.258 333 D C -1.653 174.445 176.300 -0.336 0.000 1.252 333 D CA -0.887 52.973 54.000 -0.233 0.000 0.777 333 D CB 1.579 42.228 40.800 -0.252 0.000 1.339 333 D HN -0.596 7.618 8.370 -0.239 0.013 0.422 334 A N -1.454 121.232 122.820 -0.222 0.000 2.328 334 A HA 0.290 4.550 4.320 -0.100 0.000 0.284 334 A C -0.524 176.950 177.584 -0.184 0.000 1.160 334 A CA -0.483 51.465 52.037 -0.148 0.000 0.818 334 A CB 0.823 19.802 19.000 -0.034 0.000 1.087 334 A HN 0.277 8.334 8.150 -0.155 0.000 0.504 335 F N 3.734 123.686 119.950 0.005 0.000 2.163 335 F HA -0.258 4.271 4.527 0.003 0.000 0.297 335 F C 1.857 177.659 175.800 0.003 0.000 1.094 335 F CA 2.154 60.156 58.000 0.003 0.000 1.290 335 F CB 0.028 39.030 39.000 0.002 0.000 1.017 335 F HN 0.409 8.848 8.300 0.232 0.000 0.483 336 R N -1.856 118.768 120.500 0.208 0.000 2.112 336 R HA -0.005 4.397 4.340 0.104 0.000 0.216 336 R C -0.224 176.117 176.300 0.068 0.000 1.080 336 R CA 0.529 56.697 56.100 0.113 0.000 0.996 336 R CB -0.165 30.194 30.300 0.097 0.000 0.902 336 R HN -0.310 8.107 8.270 0.245 0.000 0.449 337 Q N -1.713 118.121 119.800 0.057 0.000 2.451 337 Q HA -0.260 4.095 4.340 0.024 0.000 0.305 337 Q C -1.653 174.370 176.000 0.038 0.000 1.345 337 Q CA 0.085 55.907 55.803 0.032 0.000 0.854 337 Q CB -1.358 27.389 28.738 0.016 0.000 1.162 337 Q HN -0.003 8.309 8.270 0.070 0.000 0.440 338 N N -0.637 118.093 118.700 0.051 0.000 2.421 338 N HA 0.040 4.810 4.740 0.051 0.000 0.285 338 N C 0.645 176.199 175.510 0.073 0.000 1.027 338 N CA -0.088 52.998 53.050 0.060 0.000 0.918 338 N CB 0.565 39.090 38.487 0.064 0.000 1.152 338 N HN -0.375 8.040 8.380 0.057 0.000 0.485 339 T N 2.147 116.746 114.554 0.074 0.000 3.273 339 T HA -0.049 4.330 4.350 0.049 0.000 0.254 339 T C -0.197 174.556 174.700 0.087 0.000 1.002 339 T CA -0.768 61.370 62.100 0.063 0.000 0.913 339 T CB -0.262 68.631 68.868 0.041 0.000 1.056 339 T HN 0.154 8.435 8.240 0.069 0.000 0.576 340 H N 2.680 121.757 119.070 0.011 0.000 2.771 340 H HA -0.136 4.425 4.556 0.008 0.000 0.364 340 H C 0.600 175.933 175.328 0.008 0.000 1.133 340 H CA 1.357 57.411 56.048 0.009 0.000 1.423 340 H CB 0.806 30.574 29.762 0.010 0.000 1.425 340 H HN -0.519 7.940 8.280 0.206 -0.056 0.606 341 G N 2.966 111.406 108.800 -0.601 0.000 2.663 341 G HA2 -0.178 3.510 3.960 -0.454 0.000 0.686 341 G HA3 -0.178 3.653 3.960 -0.216 0.000 0.686 341 G C -1.274 173.515 174.900 -0.185 0.000 1.288 341 G CA -0.762 44.120 45.100 -0.362 0.000 0.836 341 G HN 0.035 7.745 8.290 -0.967 0.000 0.584 342 I N 0.930 121.425 120.570 -0.126 0.000 2.396 342 I HA 0.147 4.274 4.170 -0.071 0.000 0.292 342 I C 0.729 176.817 176.117 -0.047 0.000 0.999 342 I CA -1.011 60.245 61.300 -0.074 0.000 1.310 342 I CB 0.049 38.012 38.000 -0.061 0.000 1.404 342 I HN -0.006 8.129 8.210 -0.124 0.000 0.496 343 Q N 7.724 127.504 119.800 -0.033 0.000 2.163 343 Q HA -0.056 4.272 4.340 -0.020 0.000 0.198 343 Q C -0.012 175.978 176.000 -0.017 0.000 0.954 343 Q CA 1.520 57.310 55.803 -0.021 0.000 0.851 343 Q CB 0.922 29.652 28.738 -0.015 0.000 0.928 343 Q HN 0.433 8.683 8.270 -0.033 0.000 0.459 344 M N -2.633 116.956 119.600 -0.017 0.000 3.287 344 M HA 0.351 4.824 4.480 -0.013 0.000 0.336 344 M C -1.228 175.063 176.300 -0.015 0.000 1.573 344 M CA -0.322 54.970 55.300 -0.014 0.000 0.609 344 M CB 0.151 32.745 32.600 -0.010 0.000 1.421 344 M HN -0.550 7.728 8.290 -0.020 0.000 0.476 345 T N 0.000 114.543 114.554 -0.019 0.000 3.816 345 T HA 0.000 4.337 4.350 -0.021 0.000 0.228 345 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 345 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 345 T HN 0.000 8.227 8.240 -0.021 0.000 0.658