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 1cuu_1_A DATA FIRST_RESID 17 DATA SEQUENCE RTTRDDLING NSAScADVIF IYARGSTETG NLGTLGPSIA SNLESAFGKD DATA SEQUENCE GVWIQGVGGA YRATLGDNAL PRGTSSAAIR EMLGLFQQAN TKcPDATLIA DATA SEQUENCE GGYSQGAALA AASIEDLDSA IRDKIAGTVL FGYTKNLQNR GRIPNYPADR DATA SEQUENCE TKVFcNTGDL VcTGSLIVAA PHLAYGPDAR GPCPEFLIEK VRAVRGS 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 17 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 17 R C 0.000 176.305 176.300 0.007 0.000 0.893 17 R CA 0.000 56.101 56.100 0.002 0.000 0.921 17 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 18 T N -1.914 112.645 114.554 0.009 0.000 3.118 18 T HA 0.024 4.374 4.350 -0.000 0.000 0.260 18 T C -0.807 173.911 174.700 0.029 0.000 1.139 18 T CA 1.194 63.306 62.100 0.021 0.000 1.085 18 T CB 0.190 69.070 68.868 0.019 0.000 0.934 18 T HN 0.025 8.269 8.240 0.006 0.000 0.518 19 T N 3.330 117.896 114.554 0.019 0.000 2.840 19 T HA 0.165 4.515 4.350 -0.000 0.000 0.287 19 T C -1.263 173.445 174.700 0.012 0.000 0.991 19 T CA -0.107 62.003 62.100 0.017 0.000 0.964 19 T CB 1.262 70.132 68.868 0.005 0.000 0.954 19 T HN -0.395 7.802 8.240 0.013 0.051 0.438 20 R N 4.723 125.233 120.500 0.017 0.000 2.533 20 R HA 0.237 4.577 4.340 -0.000 0.000 0.288 20 R C -1.846 174.446 176.300 -0.013 0.000 1.039 20 R CA -1.288 54.816 56.100 0.007 0.000 0.909 20 R CB 3.079 33.402 30.300 0.039 0.000 1.195 20 R HN 0.219 8.645 8.270 0.024 -0.141 0.438 21 D N 5.347 125.716 120.400 -0.052 0.000 2.945 21 D HA 0.239 4.879 4.640 -0.000 0.000 0.366 21 D C -0.193 176.005 176.300 -0.170 0.000 1.352 21 D CA -0.155 53.793 54.000 -0.086 0.000 0.810 21 D CB 1.311 42.064 40.800 -0.079 0.000 1.170 21 D HN 0.471 8.804 8.370 -0.061 0.000 0.461 22 D N 1.975 122.263 120.400 -0.186 0.000 2.149 22 D HA -0.273 4.367 4.640 -0.000 0.000 0.198 22 D C 1.835 177.697 176.300 -0.729 0.000 0.990 22 D CA 3.802 57.547 54.000 -0.424 0.000 0.839 22 D CB -0.213 40.428 40.800 -0.264 0.000 0.948 22 D HN 0.066 8.380 8.370 -0.093 0.000 0.460 23 L N -0.885 120.138 121.223 -0.334 0.000 2.027 23 L HA -0.268 4.072 4.340 -0.000 0.000 0.206 23 L C 1.040 177.753 176.870 -0.261 0.000 1.074 23 L CA 3.321 58.033 54.840 -0.212 0.000 0.745 23 L CB -0.279 41.808 42.059 0.046 0.000 0.898 23 L HN -0.348 7.775 8.230 -0.155 0.014 0.433 24 I N -2.795 117.662 120.570 -0.188 0.000 2.226 24 I HA -0.519 3.651 4.170 -0.000 0.000 0.245 24 I C 1.906 177.912 176.117 -0.185 0.000 1.100 24 I CA 3.461 64.676 61.300 -0.141 0.000 1.374 24 I CB -0.328 37.612 38.000 -0.099 0.000 1.057 24 I HN -0.414 7.700 8.210 -0.160 0.000 0.413 25 N N -1.380 117.165 118.700 -0.258 0.000 2.354 25 N HA -0.074 4.666 4.740 -0.000 0.000 0.179 25 N C 0.943 176.258 175.510 -0.325 0.000 1.021 25 N CA 0.861 53.765 53.050 -0.245 0.000 0.887 25 N CB 0.068 38.420 38.487 -0.224 0.000 0.974 25 N HN -0.127 8.083 8.380 -0.283 0.000 0.437 26 G N -0.167 108.261 108.800 -0.620 0.000 2.484 26 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.235 26 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.235 26 G C -2.108 172.686 174.900 -0.177 0.000 1.282 26 G CA -0.071 44.568 45.100 -0.769 0.000 0.857 26 G HN -0.451 7.261 8.290 -0.736 0.136 0.571 27 N N 0.757 119.510 118.700 0.087 0.000 2.444 27 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 27 N C 0.726 176.406 175.510 0.284 0.000 1.069 27 N CA 0.614 53.760 53.050 0.159 0.000 0.965 27 N CB 1.289 39.851 38.487 0.126 0.000 1.092 27 N HN 0.066 8.526 8.380 0.134 0.000 0.476 28 S N 6.127 121.944 115.700 0.194 0.000 2.400 28 S HA -0.281 4.189 4.470 -0.000 0.000 0.232 28 S C 1.221 175.892 174.600 0.118 0.000 1.025 28 S CA 2.705 61.009 58.200 0.173 0.000 0.993 28 S CB 0.126 63.391 63.200 0.109 0.000 0.808 28 S HN 0.740 9.129 8.310 0.132 0.000 0.478 29 A N -1.028 121.852 122.820 0.099 0.000 2.070 29 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 29 A C 0.069 177.690 177.584 0.062 0.000 1.159 29 A CA 1.802 53.879 52.037 0.066 0.000 0.656 29 A CB -0.162 18.871 19.000 0.056 0.000 0.800 29 A HN 0.107 8.298 8.150 0.102 0.020 0.453 30 S N -3.160 112.602 115.700 0.103 0.000 2.128 30 S HA 0.172 4.642 4.470 -0.000 0.000 0.157 30 S C -0.715 173.917 174.600 0.052 0.000 1.650 30 S CA -1.053 57.193 58.200 0.077 0.000 1.269 30 S CB 0.288 63.549 63.200 0.102 0.000 1.227 30 S HN -0.595 7.664 8.310 0.160 0.147 0.405 31 c N 2.139 120.685 118.600 -0.090 0.000 2.662 31 c HA -0.017 4.553 4.570 -0.000 0.000 0.420 31 c C 0.803 174.504 174.090 -0.648 0.000 1.314 31 c CA 1.210 57.264 56.329 -0.458 0.000 1.963 31 c CB 0.145 42.474 42.510 -0.303 0.000 2.686 31 c HN 0.021 8.222 8.230 -0.048 0.000 0.609 32 A N 3.685 125.736 122.820 -1.283 0.000 2.313 32 A HA 0.081 4.401 4.320 -0.000 0.000 0.261 32 A C -0.582 176.673 177.584 -0.548 0.000 1.090 32 A CA -0.289 51.215 52.037 -0.889 0.000 0.807 32 A CB 0.825 19.089 19.000 -1.227 0.000 1.055 32 A HN 0.341 7.064 8.150 -2.378 0.000 0.492 33 D N -1.003 119.177 120.400 -0.366 0.000 2.249 33 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 33 D C -0.461 175.657 176.300 -0.304 0.000 0.962 33 D CA 2.228 56.059 54.000 -0.281 0.000 0.860 33 D CB 1.020 41.688 40.800 -0.219 0.000 0.955 33 D HN -0.284 7.892 8.370 -0.324 0.000 0.505 34 V N -1.702 117.994 119.914 -0.363 0.000 2.588 34 V HA 0.649 4.769 4.120 -0.000 0.000 0.304 34 V C -1.815 174.185 176.094 -0.156 0.000 1.042 34 V CA -0.942 61.163 62.300 -0.326 0.000 0.877 34 V CB 2.846 34.286 31.823 -0.639 0.000 0.996 34 V HN -0.427 7.510 8.190 -0.380 0.025 0.425 35 I N 4.106 124.667 120.570 -0.016 0.000 2.447 35 I HA 0.655 4.825 4.170 -0.000 0.000 0.287 35 I C -2.135 174.126 176.117 0.241 0.000 1.023 35 I CA -1.235 60.148 61.300 0.139 0.000 1.083 35 I CB 2.689 40.775 38.000 0.142 0.000 1.245 35 I HN 0.461 8.659 8.210 -0.021 0.000 0.434 36 F N 9.058 129.073 119.950 0.110 0.000 2.411 36 F HA 0.657 5.184 4.527 -0.000 0.000 0.352 36 F C -2.578 173.290 175.800 0.114 0.000 1.123 36 F CA -2.522 55.553 58.000 0.125 0.000 1.044 36 F CB 2.485 41.569 39.000 0.140 0.000 1.135 36 F HN 0.785 9.316 8.300 0.384 0.000 0.461 37 I N 8.265 128.607 120.570 -0.379 0.000 2.362 37 I HA 0.462 4.632 4.170 -0.000 0.000 0.289 37 I C -2.631 173.112 176.117 -0.623 0.000 0.994 37 I CA -1.074 59.950 61.300 -0.461 0.000 1.158 37 I CB 1.799 39.485 38.000 -0.524 0.000 1.315 37 I HN 0.486 8.574 8.210 -0.203 0.000 0.451 38 Y N 9.136 129.051 120.300 -0.642 0.000 2.442 38 Y HA 0.479 5.029 4.550 -0.000 0.000 0.344 38 Y C -2.948 172.850 175.900 -0.170 0.000 0.976 38 Y CA -2.055 55.768 58.100 -0.461 0.000 1.040 38 Y CB 4.425 42.591 38.460 -0.490 0.000 1.228 38 Y HN 0.488 8.597 8.280 -0.286 0.000 0.451 39 A N 5.941 128.310 122.820 -0.752 0.000 2.303 39 A HA 0.560 4.880 4.320 -0.000 0.000 0.320 39 A C -2.202 175.079 177.584 -0.506 0.000 1.192 39 A CA -2.229 49.540 52.037 -0.445 0.000 0.821 39 A CB 2.225 20.981 19.000 -0.407 0.000 1.188 39 A HN 0.693 8.294 8.150 -0.914 0.000 0.492 40 R N 2.315 122.821 120.500 0.010 0.000 2.652 40 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 40 R C 0.255 176.663 176.300 0.179 0.000 1.129 40 R CA -0.969 55.231 56.100 0.167 0.000 1.200 40 R CB 0.937 31.369 30.300 0.220 0.000 1.146 40 R HN 0.477 8.869 8.270 0.203 0.000 0.581 41 G N -2.174 106.738 108.800 0.188 0.000 2.588 41 G HA2 0.100 4.060 3.960 -0.000 0.000 0.281 41 G HA3 0.100 4.060 3.960 -0.000 0.000 0.281 41 G C -1.170 173.728 174.900 -0.004 0.000 1.236 41 G CA -1.894 43.185 45.100 -0.034 0.000 0.969 41 G HN 0.077 8.908 8.290 0.337 -0.339 0.504 42 S N -1.058 114.620 115.700 -0.038 0.000 2.560 42 S HA -0.155 4.315 4.470 -0.000 0.000 0.284 42 S C 0.774 175.364 174.600 -0.016 0.000 1.327 42 S CA 2.093 60.276 58.200 -0.029 0.000 1.055 42 S CB 0.132 63.327 63.200 -0.009 0.000 0.868 42 S HN 0.303 8.563 8.310 -0.084 0.000 0.506 43 T N 2.004 116.530 114.554 -0.047 0.000 7.366 43 T HA -0.334 4.016 4.350 -0.000 0.000 0.298 43 T C 0.089 174.782 174.700 -0.012 0.000 2.046 43 T CA 1.617 63.699 62.100 -0.030 0.000 3.126 43 T CB -1.165 67.701 68.868 -0.002 0.000 2.130 43 T HN 0.570 8.653 8.240 -0.086 0.106 1.215 44 E N 0.669 120.867 120.200 -0.003 0.000 2.374 44 E HA 0.091 4.441 4.350 -0.000 0.000 0.260 44 E C 0.240 176.841 176.600 0.001 0.000 1.101 44 E CA -0.352 56.067 56.400 0.030 0.000 0.907 44 E CB 1.396 31.152 29.700 0.093 0.000 1.014 44 E HN -0.559 7.715 8.360 -0.020 0.074 0.427 45 T N -2.486 112.078 114.554 0.016 0.000 2.847 45 T HA 0.159 4.509 4.350 -0.000 0.000 0.279 45 T C 0.313 175.021 174.700 0.014 0.000 0.984 45 T CA -1.260 60.842 62.100 0.004 0.000 0.988 45 T CB 1.043 69.915 68.868 0.006 0.000 1.040 45 T HN 0.094 8.353 8.240 0.031 0.000 0.528 46 G N 1.190 109.992 108.800 0.004 0.000 2.581 46 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.291 46 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.291 46 G C -0.532 174.382 174.900 0.023 0.000 1.277 46 G CA 1.803 46.911 45.100 0.012 0.000 0.959 46 G HN -0.019 8.267 8.290 -0.006 0.000 0.554 47 N N -0.582 118.147 118.700 0.049 0.000 2.177 47 N HA 0.165 4.905 4.740 -0.000 0.000 0.218 47 N C 0.308 175.913 175.510 0.158 0.000 1.182 47 N CA -0.246 52.852 53.050 0.081 0.000 0.882 47 N CB 1.791 40.315 38.487 0.061 0.000 1.052 47 N HN 0.071 8.479 8.380 0.047 0.000 0.519 48 L N -2.408 118.910 121.223 0.158 0.000 2.717 48 L HA 0.239 4.579 4.340 -0.000 0.000 0.239 48 L C 0.034 177.052 176.870 0.247 0.000 1.086 48 L CA 0.028 55.009 54.840 0.234 0.000 0.897 48 L CB 1.219 43.340 42.059 0.102 0.000 1.214 48 L HN -0.003 8.290 8.230 0.104 0.000 0.508 49 G N -0.259 108.635 108.800 0.157 0.000 2.564 49 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.273 49 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.273 49 G C -0.186 174.759 174.900 0.075 0.000 1.242 49 G CA 1.269 46.451 45.100 0.137 0.000 0.951 49 G HN -0.480 7.879 8.290 0.115 0.000 0.564 50 T N -3.685 110.905 114.554 0.060 0.000 2.942 50 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 50 T C 1.130 175.759 174.700 -0.118 0.000 1.062 50 T CA 1.697 63.779 62.100 -0.029 0.000 1.139 50 T CB 0.005 68.847 68.868 -0.044 0.000 0.883 50 T HN 0.176 8.896 8.240 0.118 -0.409 0.468 51 L N -0.499 120.624 121.223 -0.166 0.000 2.298 51 L HA 0.291 4.631 4.340 -0.000 0.000 0.209 51 L C 1.760 178.438 176.870 -0.320 0.000 1.084 51 L CA 0.890 55.541 54.840 -0.313 0.000 0.816 51 L CB -0.065 41.657 42.059 -0.563 0.000 0.967 51 L HN -0.401 7.790 8.230 -0.066 0.000 0.460 52 G N -0.023 108.566 108.800 -0.352 0.000 2.529 52 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 52 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 52 G C -1.858 172.920 174.900 -0.202 0.000 1.177 52 G CA 3.367 48.169 45.100 -0.497 0.000 0.773 52 G HN -0.238 7.959 8.290 -0.155 0.000 0.573 53 P HA -0.225 4.195 4.420 -0.000 0.000 0.216 53 P C 1.894 179.152 177.300 -0.070 0.000 1.153 53 P CA 3.450 66.514 63.100 -0.060 0.000 0.858 53 P CB -0.266 31.407 31.700 -0.044 0.000 0.789 54 S N -1.244 114.395 115.700 -0.102 0.000 2.368 54 S HA -0.298 4.172 4.470 -0.000 0.000 0.225 54 S C 2.256 176.802 174.600 -0.091 0.000 1.030 54 S CA 3.503 61.646 58.200 -0.095 0.000 0.999 54 S CB -0.321 62.808 63.200 -0.118 0.000 0.844 54 S HN -0.661 7.574 8.310 -0.126 0.000 0.459 55 I N 1.303 121.804 120.570 -0.115 0.000 2.179 55 I HA -0.500 3.670 4.170 -0.000 0.000 0.242 55 I C 1.358 177.407 176.117 -0.114 0.000 1.088 55 I CA 3.716 64.946 61.300 -0.117 0.000 1.357 55 I CB -0.274 37.649 38.000 -0.128 0.000 1.051 55 I HN -0.735 7.384 8.210 -0.152 0.000 0.409 56 A N -0.333 122.453 122.820 -0.057 0.000 1.873 56 A HA -0.442 3.878 4.320 -0.000 0.000 0.218 56 A C 2.202 179.787 177.584 0.001 0.000 1.193 56 A CA 3.584 55.626 52.037 0.008 0.000 0.629 56 A CB -0.988 18.048 19.000 0.059 0.000 0.826 56 A HN 0.314 8.430 8.150 -0.056 0.000 0.447 57 S N -1.265 114.425 115.700 -0.016 0.000 2.370 57 S HA -0.404 4.066 4.470 -0.000 0.000 0.226 57 S C 2.468 177.050 174.600 -0.029 0.000 1.033 57 S CA 4.167 62.358 58.200 -0.015 0.000 1.011 57 S CB -0.585 62.600 63.200 -0.024 0.000 0.852 57 S HN -0.129 8.165 8.310 -0.027 0.000 0.457 58 N N 1.856 120.525 118.700 -0.051 0.000 2.270 58 N HA -0.184 4.556 4.740 -0.000 0.000 0.181 58 N C 2.345 177.800 175.510 -0.092 0.000 1.016 58 N CA 2.874 55.882 53.050 -0.070 0.000 0.870 58 N CB -0.041 38.403 38.487 -0.071 0.000 0.979 58 N HN -0.740 7.596 8.380 -0.055 0.011 0.431 59 L N 0.093 121.279 121.223 -0.063 0.000 2.056 59 L HA -0.389 3.951 4.340 -0.000 0.000 0.207 59 L C 1.684 178.586 176.870 0.053 0.000 1.078 59 L CA 3.689 58.528 54.840 -0.003 0.000 0.749 59 L CB -0.344 41.749 42.059 0.056 0.000 0.901 59 L HN 0.104 8.210 8.230 -0.063 0.086 0.433 60 E N -0.596 119.639 120.200 0.058 0.000 2.110 60 E HA -0.426 3.924 4.350 -0.000 0.000 0.193 60 E C 2.980 179.587 176.600 0.011 0.000 0.988 60 E CA 3.338 59.783 56.400 0.075 0.000 0.804 60 E CB -0.409 29.329 29.700 0.064 0.000 0.745 60 E HN 0.220 8.603 8.360 0.038 0.000 0.458 61 S N 0.368 116.042 115.700 -0.043 0.000 2.368 61 S HA -0.307 4.163 4.470 -0.000 0.000 0.225 61 S C 1.552 176.072 174.600 -0.135 0.000 1.030 61 S CA 2.649 60.806 58.200 -0.072 0.000 0.999 61 S CB -0.093 63.061 63.200 -0.078 0.000 0.844 61 S HN -0.301 7.898 8.310 -0.043 0.086 0.459 62 A N 0.285 122.945 122.820 -0.267 0.000 1.872 62 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 62 A C 1.537 178.826 177.584 -0.490 0.000 1.187 62 A CA 2.690 54.431 52.037 -0.493 0.000 0.614 62 A CB 0.229 18.714 19.000 -0.858 0.000 0.826 62 A HN -0.544 7.372 8.150 -0.256 0.081 0.442 63 F N -5.408 114.531 119.950 -0.018 0.000 2.721 63 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 63 F C -0.043 175.752 175.800 -0.008 0.000 1.096 63 F CA -0.563 57.426 58.000 -0.017 0.000 1.308 63 F CB 1.195 40.183 39.000 -0.021 0.000 1.086 63 F HN -0.265 7.898 8.300 -0.228 0.000 0.587 64 G N -0.750 108.129 108.800 0.131 0.000 2.705 64 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.686 64 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.686 64 G C 0.864 175.836 174.900 0.120 0.000 1.285 64 G CA -0.551 44.606 45.100 0.095 0.000 0.800 64 G HN -0.396 7.844 8.290 0.075 0.095 0.611 65 K N 2.322 122.780 120.400 0.097 0.000 2.089 65 K HA -0.378 3.942 4.320 -0.000 0.000 0.210 65 K C 1.555 178.246 176.600 0.151 0.000 1.048 65 K CA 2.602 58.960 56.287 0.117 0.000 0.926 65 K CB -0.297 32.257 32.500 0.091 0.000 0.714 65 K HN 0.581 8.876 8.250 0.074 0.000 0.448 66 D N -3.605 116.866 120.400 0.120 0.000 2.347 66 D HA -0.009 4.631 4.640 -0.000 0.000 0.213 66 D C 0.547 176.873 176.300 0.043 0.000 0.985 66 D CA 1.472 55.543 54.000 0.118 0.000 0.879 66 D CB -0.408 40.443 40.800 0.085 0.000 0.919 66 D HN 0.054 8.471 8.370 0.096 0.010 0.526 67 G N -2.611 106.221 108.800 0.052 0.000 2.683 67 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 67 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 67 G C -1.994 172.856 174.900 -0.083 0.000 1.142 67 G CA 0.391 45.487 45.100 -0.007 0.000 0.793 67 G HN -0.379 7.792 8.290 0.098 0.178 0.534 68 V N -1.711 118.219 119.914 0.028 0.000 2.760 68 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 68 V C -1.979 174.267 176.094 0.253 0.000 1.077 68 V CA -1.918 60.405 62.300 0.039 0.000 0.910 68 V CB 2.504 34.414 31.823 0.146 0.000 1.008 68 V HN -0.803 7.457 8.190 0.116 0.000 0.424 69 W N 7.293 128.626 121.300 0.056 0.000 2.429 69 W HA 0.410 5.070 4.660 -0.000 0.000 0.314 69 W C -1.197 175.392 176.519 0.117 0.000 1.062 69 W CA -3.965 53.421 57.345 0.068 0.000 1.211 69 W CB 1.994 31.479 29.460 0.041 0.000 1.305 69 W HN 0.731 9.017 8.180 0.177 0.000 0.476 70 I N 4.067 124.829 120.570 0.320 0.000 2.336 70 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 70 I C -1.770 174.434 176.117 0.146 0.000 0.991 70 I CA -2.283 59.182 61.300 0.275 0.000 1.227 70 I CB -0.127 38.016 38.000 0.238 0.000 1.366 70 I HN 0.609 9.368 8.210 0.275 -0.385 0.466 71 Q N 7.983 127.839 119.800 0.093 0.000 2.303 71 Q HA 0.514 4.854 4.340 -0.000 0.000 0.267 71 Q C -1.499 174.479 176.000 -0.036 0.000 1.011 71 Q CA -1.933 53.873 55.803 0.004 0.000 0.740 71 Q CB 3.344 32.069 28.738 -0.021 0.000 1.250 71 Q HN 0.801 9.129 8.270 0.096 0.000 0.458 72 G N 3.607 112.411 108.800 0.007 0.000 2.476 72 G HA2 0.502 4.462 3.960 -0.000 0.000 0.286 72 G HA3 0.502 4.462 3.960 -0.000 0.000 0.286 72 G C -1.706 173.192 174.900 -0.004 0.000 1.177 72 G CA -1.379 43.746 45.100 0.041 0.000 0.870 72 G HN 0.171 8.469 8.290 0.014 0.000 0.528 73 V N 1.881 121.801 119.914 0.010 0.000 2.353 73 V HA 0.126 4.246 4.120 -0.000 0.000 0.264 73 V C -0.555 175.614 176.094 0.125 0.000 1.049 73 V CA 0.271 62.578 62.300 0.012 0.000 0.896 73 V CB -1.506 30.279 31.823 -0.063 0.000 1.025 73 V HN -0.139 8.073 8.190 0.036 0.000 0.475 74 G N 3.132 111.971 108.800 0.065 0.000 3.434 74 G HA2 0.292 4.252 3.960 -0.000 0.000 0.197 74 G HA3 0.292 4.252 3.960 -0.000 0.000 0.197 74 G C -0.605 174.331 174.900 0.060 0.000 1.559 74 G CA -1.337 43.799 45.100 0.059 0.000 0.852 74 G HN -0.630 7.673 8.290 0.022 0.000 0.682 75 G N 1.587 110.402 108.800 0.024 0.000 2.660 75 G HA2 -0.518 3.442 3.960 -0.000 0.000 0.321 75 G HA3 -0.518 3.442 3.960 -0.000 0.000 0.321 75 G C 0.564 175.484 174.900 0.032 0.000 1.246 75 G CA 1.477 46.590 45.100 0.021 0.000 1.000 75 G HN -0.108 8.189 8.290 0.011 0.000 0.550 76 A N 3.100 125.949 122.820 0.048 0.000 2.167 76 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 76 A C 0.048 177.698 177.584 0.111 0.000 1.151 76 A CA 0.682 52.753 52.037 0.057 0.000 0.735 76 A CB 0.330 19.358 19.000 0.047 0.000 0.802 76 A HN -0.338 8.166 8.150 0.043 -0.327 0.467 77 Y N 0.599 120.884 120.300 -0.025 0.000 2.640 77 Y HA -0.095 4.455 4.550 -0.000 0.000 0.355 77 Y C -0.585 175.302 175.900 -0.021 0.000 1.088 77 Y CA -2.009 56.074 58.100 -0.027 0.000 1.443 77 Y CB -0.361 38.075 38.460 -0.040 0.000 1.224 77 Y HN -0.279 8.066 8.280 0.189 0.049 0.516 78 R N 7.553 127.933 120.500 -0.201 0.000 2.297 78 R HA -0.096 4.244 4.340 -0.000 0.000 0.197 78 R C -0.782 175.263 176.300 -0.424 0.000 0.943 78 R CA -0.372 55.575 56.100 -0.256 0.000 1.038 78 R CB -0.334 29.900 30.300 -0.109 0.000 0.957 78 R HN -0.180 8.077 8.270 -0.021 0.000 0.484 79 A N -1.266 121.087 122.820 -0.779 0.000 2.687 79 A HA -0.248 4.072 4.320 -0.000 0.000 0.299 79 A C -0.777 176.683 177.584 -0.207 0.000 1.497 79 A CA 0.454 52.123 52.037 -0.612 0.000 0.751 79 A CB -1.557 17.069 19.000 -0.624 0.000 1.048 79 A HN 0.126 7.637 8.150 -0.977 0.053 0.464 80 T N 1.146 115.633 114.554 -0.111 0.000 2.779 80 T HA 0.056 4.406 4.350 -0.000 0.000 0.296 80 T C 1.096 175.786 174.700 -0.017 0.000 0.938 80 T CA 0.300 62.370 62.100 -0.050 0.000 1.119 80 T CB 0.390 69.242 68.868 -0.027 0.000 0.891 80 T HN -0.017 8.168 8.240 -0.093 0.000 0.526 81 L N 8.335 129.548 121.223 -0.017 0.000 2.021 81 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 81 L C 1.606 178.475 176.870 -0.001 0.000 1.074 81 L CA 3.433 58.270 54.840 -0.005 0.000 0.760 81 L CB -0.446 41.610 42.059 -0.004 0.000 0.889 81 L HN 0.638 8.852 8.230 -0.025 0.000 0.433 82 G N -4.708 104.091 108.800 -0.002 0.000 2.462 82 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 82 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 82 G C 1.287 176.190 174.900 0.005 0.000 1.121 82 G CA 2.031 47.131 45.100 -0.000 0.000 0.758 82 G HN 0.319 8.594 8.290 -0.005 0.012 0.559 83 D N 1.462 121.870 120.400 0.014 0.000 2.350 83 D HA -0.119 4.521 4.640 -0.000 0.000 0.216 83 D C 2.317 178.631 176.300 0.022 0.000 0.968 83 D CA 2.183 56.198 54.000 0.025 0.000 0.894 83 D CB -0.657 40.172 40.800 0.048 0.000 0.909 83 D HN -0.320 7.922 8.370 0.014 0.136 0.520 84 N N 0.034 118.742 118.700 0.014 0.000 2.289 84 N HA -0.266 4.474 4.740 -0.000 0.000 0.184 84 N C 0.315 175.821 175.510 -0.007 0.000 1.016 84 N CA 2.672 55.724 53.050 0.003 0.000 0.872 84 N CB -0.109 38.372 38.487 -0.010 0.000 0.973 84 N HN -0.251 8.078 8.380 0.011 0.058 0.433 85 A N -2.942 119.874 122.820 -0.006 0.000 2.169 85 A HA 0.010 4.330 4.320 -0.000 0.000 0.212 85 A C 0.306 177.886 177.584 -0.007 0.000 1.153 85 A CA -0.004 52.027 52.037 -0.010 0.000 0.756 85 A CB 0.473 19.467 19.000 -0.009 0.000 0.813 85 A HN -0.630 7.483 8.150 -0.002 0.035 0.471 86 L N -0.830 120.392 121.223 -0.002 0.000 2.473 86 L HA 0.064 4.404 4.340 -0.000 0.000 0.268 86 L C -0.535 176.332 176.870 -0.005 0.000 1.215 86 L CA -1.609 53.231 54.840 -0.000 0.000 0.823 86 L CB -0.814 41.249 42.059 0.006 0.000 1.099 86 L HN -0.640 7.420 8.230 0.003 0.171 0.483 87 P HA -0.309 4.111 4.420 -0.000 0.000 0.219 87 P C 0.826 178.120 177.300 -0.010 0.000 1.161 87 P CA 2.927 66.022 63.100 -0.008 0.000 0.909 87 P CB 0.017 31.714 31.700 -0.005 0.000 0.793 88 R N -6.360 114.137 120.500 -0.006 0.000 2.334 88 R HA 0.009 4.349 4.340 -0.000 0.000 0.220 88 R C 0.400 176.697 176.300 -0.004 0.000 0.917 88 R CA -0.382 55.715 56.100 -0.005 0.000 1.073 88 R CB -0.269 30.029 30.300 -0.003 0.000 1.056 88 R HN 0.101 8.369 8.270 -0.003 0.000 0.506 89 G N -2.287 106.510 108.800 -0.005 0.000 2.157 89 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 89 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 89 G C -1.846 173.062 174.900 0.013 0.000 0.979 89 G CA 0.162 45.261 45.100 -0.002 0.000 0.650 89 G HN 0.043 8.136 8.290 -0.006 0.194 0.529 90 T N -2.937 111.625 114.554 0.014 0.000 2.677 90 T HA 0.153 4.503 4.350 -0.000 0.000 0.305 90 T C -1.929 172.787 174.700 0.027 0.000 1.569 90 T CA -0.957 61.162 62.100 0.032 0.000 0.984 90 T CB 1.976 70.846 68.868 0.003 0.000 1.629 90 T HN -0.877 7.313 8.240 0.007 0.054 0.494 91 S N 0.005 115.733 115.700 0.047 0.000 2.632 91 S HA 0.341 4.811 4.470 -0.000 0.000 0.271 91 S C 1.585 176.197 174.600 0.019 0.000 1.260 91 S CA -1.407 56.815 58.200 0.036 0.000 1.010 91 S CB 1.347 64.579 63.200 0.054 0.000 0.965 91 S HN 0.420 8.779 8.310 0.081 0.000 0.534 92 S N 3.834 119.543 115.700 0.015 0.000 2.382 92 S HA -0.269 4.201 4.470 -0.000 0.000 0.228 92 S C 1.662 176.268 174.600 0.010 0.000 1.027 92 S CA 4.063 62.267 58.200 0.008 0.000 0.991 92 S CB -0.297 62.908 63.200 0.008 0.000 0.823 92 S HN 0.534 8.854 8.310 0.016 0.000 0.469 93 A N 0.727 123.559 122.820 0.021 0.000 1.933 93 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 93 A C 1.728 179.330 177.584 0.030 0.000 1.175 93 A CA 2.735 54.788 52.037 0.026 0.000 0.628 93 A CB -1.101 17.919 19.000 0.033 0.000 0.814 93 A HN 0.168 8.332 8.150 0.024 0.000 0.444 94 A N -1.144 121.700 122.820 0.041 0.000 1.898 94 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 94 A C 1.973 179.516 177.584 -0.068 0.000 1.181 94 A CA 2.824 54.872 52.037 0.019 0.000 0.620 94 A CB -0.718 18.304 19.000 0.036 0.000 0.819 94 A HN -0.620 7.458 8.150 0.049 0.101 0.442 95 I N -1.429 119.109 120.570 -0.053 0.000 2.226 95 I HA -0.601 3.569 4.170 -0.000 0.000 0.245 95 I C 1.744 177.851 176.117 -0.017 0.000 1.100 95 I CA 4.089 65.361 61.300 -0.047 0.000 1.374 95 I CB -0.365 37.619 38.000 -0.026 0.000 1.057 95 I HN -0.438 7.753 8.210 -0.032 0.000 0.413 96 R N -0.596 119.901 120.500 -0.005 0.000 2.096 96 R HA -0.436 3.904 4.340 -0.000 0.000 0.235 96 R C 1.955 178.257 176.300 0.003 0.000 1.127 96 R CA 3.983 60.086 56.100 0.006 0.000 0.968 96 R CB -0.301 30.004 30.300 0.009 0.000 0.861 96 R HN -0.071 8.197 8.270 -0.004 0.000 0.440 97 E N -0.174 120.021 120.200 -0.008 0.000 2.051 97 E HA -0.295 4.055 4.350 -0.000 0.000 0.192 97 E C 2.246 178.818 176.600 -0.048 0.000 0.991 97 E CA 2.735 59.126 56.400 -0.015 0.000 0.799 97 E CB -0.487 29.216 29.700 0.004 0.000 0.748 97 E HN -0.448 7.801 8.360 -0.007 0.107 0.449 98 M N 0.123 119.677 119.600 -0.076 0.000 2.132 98 M HA -0.328 4.152 4.480 -0.000 0.000 0.263 98 M C 2.055 178.344 176.300 -0.017 0.000 1.065 98 M CA 3.858 59.081 55.300 -0.127 0.000 1.122 98 M CB 0.053 32.567 32.600 -0.144 0.000 1.365 98 M HN -0.397 7.846 8.290 -0.078 0.000 0.411 99 L N -2.285 118.992 121.223 0.089 0.000 2.042 99 L HA -0.430 3.910 4.340 -0.000 0.000 0.210 99 L C 2.081 179.028 176.870 0.127 0.000 1.076 99 L CA 2.944 57.891 54.840 0.178 0.000 0.749 99 L CB -0.532 41.582 42.059 0.092 0.000 0.893 99 L HN 0.378 8.634 8.230 0.044 0.000 0.432 100 G N -2.501 106.328 108.800 0.047 0.000 2.432 100 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 100 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 100 G C 1.091 175.997 174.900 0.010 0.000 1.135 100 G CA 2.248 47.365 45.100 0.029 0.000 0.767 100 G HN -0.060 8.242 8.290 0.028 0.004 0.550 101 L N 1.034 122.224 121.223 -0.055 0.000 2.072 101 L HA -0.283 4.057 4.340 -0.000 0.000 0.205 101 L C 1.909 178.723 176.870 -0.094 0.000 1.079 101 L CA 2.338 57.104 54.840 -0.124 0.000 0.752 101 L CB -0.125 41.783 42.059 -0.252 0.000 0.906 101 L HN -0.892 7.159 8.230 -0.076 0.134 0.436 102 F N -0.813 119.132 119.950 -0.008 0.000 2.134 102 F HA -0.469 4.058 4.527 -0.000 0.000 0.299 102 F C 2.387 178.193 175.800 0.011 0.000 1.097 102 F CA 4.378 62.377 58.000 -0.001 0.000 1.264 102 F CB -0.801 38.189 39.000 -0.016 0.000 1.001 102 F HN -0.234 8.029 8.300 -0.061 0.000 0.479 103 Q N -1.714 118.204 119.800 0.195 0.000 2.084 103 Q HA -0.407 3.933 4.340 -0.000 0.000 0.202 103 Q C 2.623 178.675 176.000 0.087 0.000 0.978 103 Q CA 3.507 59.379 55.803 0.116 0.000 0.844 103 Q CB -0.327 28.461 28.738 0.083 0.000 0.898 103 Q HN 0.137 8.521 8.270 0.198 0.005 0.426 104 Q N -0.345 119.496 119.800 0.069 0.000 2.084 104 Q HA -0.344 3.996 4.340 -0.000 0.000 0.202 104 Q C 2.333 178.384 176.000 0.085 0.000 0.978 104 Q CA 2.991 58.830 55.803 0.059 0.000 0.844 104 Q CB -0.168 28.590 28.738 0.034 0.000 0.898 104 Q HN -0.048 8.080 8.270 0.060 0.178 0.426 105 A N -0.542 122.338 122.820 0.100 0.000 1.902 105 A HA -0.353 3.967 4.320 -0.000 0.000 0.217 105 A C 2.017 179.667 177.584 0.109 0.000 1.181 105 A CA 3.148 55.262 52.037 0.127 0.000 0.623 105 A CB -0.840 18.243 19.000 0.138 0.000 0.818 105 A HN 0.274 8.477 8.150 0.088 0.000 0.443 106 N N -3.520 115.243 118.700 0.106 0.000 2.120 106 N HA -0.281 4.459 4.740 -0.000 0.000 0.188 106 N C 1.652 177.198 175.510 0.060 0.000 1.024 106 N CA 2.804 55.901 53.050 0.078 0.000 0.852 106 N CB 0.231 38.765 38.487 0.077 0.000 1.003 106 N HN -0.086 8.370 8.380 0.126 0.000 0.424 107 T N 0.371 114.963 114.554 0.063 0.000 2.809 107 T HA -0.117 4.233 4.350 -0.000 0.000 0.260 107 T C 1.087 175.822 174.700 0.059 0.000 1.039 107 T CA 2.583 64.715 62.100 0.053 0.000 1.141 107 T CB 0.075 68.972 68.868 0.049 0.000 0.869 107 T HN -0.295 7.977 8.240 0.072 0.011 0.437 108 K N 0.714 121.162 120.400 0.081 0.000 2.057 108 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 108 K C -0.147 176.509 176.600 0.094 0.000 1.050 108 K CA 2.805 59.156 56.287 0.106 0.000 0.935 108 K CB 1.340 33.937 32.500 0.163 0.000 0.715 108 K HN 0.065 8.368 8.250 0.087 0.000 0.439 109 c N -0.601 118.043 118.600 0.073 0.000 3.188 109 c HA 0.549 5.120 4.570 -0.000 0.000 0.230 109 c C -1.338 172.753 174.090 0.001 0.000 1.239 109 c CA -2.605 53.730 56.329 0.010 0.000 1.494 109 c CB -1.835 40.643 42.510 -0.053 0.000 1.798 109 c HN 0.089 8.266 8.230 0.087 0.106 0.458 110 P HA -0.158 4.262 4.420 -0.000 0.000 0.221 110 P C -0.167 177.126 177.300 -0.011 0.000 1.145 110 P CA 2.205 65.309 63.100 0.005 0.000 0.795 110 P CB -0.040 31.664 31.700 0.008 0.000 0.775 111 D N -2.262 118.120 120.400 -0.030 0.000 2.349 111 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 111 D C -0.879 175.383 176.300 -0.063 0.000 1.063 111 D CA -0.240 53.734 54.000 -0.043 0.000 0.847 111 D CB -0.519 40.253 40.800 -0.047 0.000 0.933 111 D HN 0.255 8.561 8.370 -0.036 0.042 0.513 112 A N -0.141 122.634 122.820 -0.074 0.000 2.371 112 A HA 0.277 4.597 4.320 -0.000 0.000 0.257 112 A C -0.072 177.475 177.584 -0.062 0.000 1.089 112 A CA -0.002 51.973 52.037 -0.103 0.000 0.794 112 A CB 0.608 19.528 19.000 -0.134 0.000 1.029 112 A HN -0.654 7.408 8.150 -0.061 0.051 0.488 113 T N 3.936 118.439 114.554 -0.084 0.000 2.806 113 T HA 0.295 4.645 4.350 -0.000 0.000 0.290 113 T C -0.798 173.895 174.700 -0.012 0.000 0.966 113 T CA 0.657 62.728 62.100 -0.049 0.000 1.060 113 T CB 0.472 69.290 68.868 -0.084 0.000 0.927 113 T HN 0.330 8.491 8.240 -0.132 0.000 0.485 114 L N 5.034 126.292 121.223 0.058 0.000 2.344 114 L HA 1.034 5.374 4.340 -0.000 0.000 0.272 114 L C -1.377 175.603 176.870 0.183 0.000 1.035 114 L CA -1.120 53.803 54.840 0.138 0.000 0.807 114 L CB 1.580 43.761 42.059 0.204 0.000 1.237 114 L HN 0.121 8.385 8.230 0.057 0.000 0.442 115 I N -5.822 114.914 120.570 0.276 0.000 2.894 115 I HA 0.936 5.106 4.170 -0.000 0.000 0.302 115 I C -2.285 174.122 176.117 0.484 0.000 1.188 115 I CA -1.728 59.793 61.300 0.367 0.000 1.014 115 I CB 3.778 41.992 38.000 0.356 0.000 1.242 115 I HN 0.482 8.868 8.210 0.294 0.000 0.430 116 A N 0.619 123.711 122.820 0.454 0.000 2.569 116 A HA 0.999 5.319 4.320 -0.000 0.000 0.290 116 A C -2.126 175.692 177.584 0.389 0.000 1.136 116 A CA -1.698 50.515 52.037 0.294 0.000 0.710 116 A CB 3.627 22.788 19.000 0.269 0.000 1.303 116 A HN 0.412 8.818 8.150 0.427 0.000 0.413 117 G N -3.608 105.318 108.800 0.209 0.000 2.601 117 G HA2 0.644 4.604 3.960 -0.000 0.000 0.291 117 G HA3 0.644 4.604 3.960 -0.000 0.000 0.291 117 G C -2.750 172.176 174.900 0.044 0.000 1.456 117 G CA 0.253 45.561 45.100 0.346 0.000 0.804 117 G HN -0.153 8.124 8.290 -0.021 0.000 0.499 118 G N -2.529 106.316 108.800 0.075 0.000 2.703 118 G HA2 0.665 4.625 3.960 -0.000 0.000 0.294 118 G HA3 0.665 4.625 3.960 -0.000 0.000 0.294 118 G C -3.605 171.421 174.900 0.210 0.000 1.451 118 G CA 0.150 45.143 45.100 -0.177 0.000 0.869 118 G HN 0.030 8.472 8.290 0.254 0.000 0.516 119 Y N 2.803 123.099 120.300 -0.006 0.000 2.391 119 Y HA 0.712 5.262 4.550 -0.000 0.000 0.341 119 Y C -1.159 174.805 175.900 0.107 0.000 0.965 119 Y CA -3.307 54.872 58.100 0.132 0.000 1.067 119 Y CB 2.745 41.270 38.460 0.108 0.000 1.199 119 Y HN -0.126 8.131 8.280 -0.038 0.000 0.450 120 S N 6.963 122.549 115.700 -0.189 0.000 4.114 120 S HA -0.601 3.869 4.470 -0.000 0.000 0.618 120 S C 0.953 175.535 174.600 -0.029 0.000 1.937 120 S CA 2.777 60.867 58.200 -0.183 0.000 4.228 120 S CB -0.590 62.247 63.200 -0.605 0.000 0.216 120 S HN 0.807 9.200 8.310 0.139 0.000 0.528 121 Q N 3.502 123.281 119.800 -0.034 0.000 2.135 121 Q HA -0.280 4.060 4.340 -0.000 0.000 0.204 121 Q C 1.985 178.005 176.000 0.034 0.000 0.981 121 Q CA 2.897 58.726 55.803 0.044 0.000 0.856 121 Q CB -0.180 28.622 28.738 0.107 0.000 0.902 121 Q HN 0.636 8.859 8.270 -0.078 0.000 0.425 122 G N -2.798 106.016 108.800 0.024 0.000 2.448 122 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 122 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 122 G C 0.362 175.198 174.900 -0.107 0.000 1.127 122 G CA 1.458 46.504 45.100 -0.091 0.000 0.766 122 G HN 0.179 8.474 8.290 0.021 0.008 0.552 123 A N 1.956 124.775 122.820 -0.001 0.000 1.897 123 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 123 A C 1.721 179.355 177.584 0.083 0.000 1.181 123 A CA 2.777 54.834 52.037 0.034 0.000 0.620 123 A CB -0.758 18.335 19.000 0.154 0.000 0.821 123 A HN -0.226 7.697 8.150 0.027 0.243 0.443 124 A N -0.832 122.069 122.820 0.136 0.000 1.898 124 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 124 A C 1.694 179.293 177.584 0.025 0.000 1.181 124 A CA 2.867 54.986 52.037 0.138 0.000 0.620 124 A CB -0.690 18.352 19.000 0.071 0.000 0.819 124 A HN -0.482 7.656 8.150 0.109 0.078 0.442 125 L N -0.917 120.264 121.223 -0.071 0.000 2.017 125 L HA -0.351 3.989 4.340 -0.000 0.000 0.208 125 L C 1.646 178.443 176.870 -0.122 0.000 1.073 125 L CA 2.673 57.415 54.840 -0.163 0.000 0.745 125 L CB -0.811 41.010 42.059 -0.397 0.000 0.894 125 L HN 0.142 8.263 8.230 -0.073 0.066 0.432 126 A N -1.601 121.147 122.820 -0.120 0.000 1.877 126 A HA -0.418 3.902 4.320 -0.000 0.000 0.216 126 A C 1.819 179.356 177.584 -0.079 0.000 1.186 126 A CA 3.253 55.241 52.037 -0.083 0.000 0.620 126 A CB -1.114 17.822 19.000 -0.107 0.000 0.822 126 A HN 0.292 8.251 8.150 -0.136 0.109 0.443 127 A N -2.053 120.726 122.820 -0.068 0.000 1.877 127 A HA -0.326 3.994 4.320 -0.000 0.000 0.216 127 A C 1.928 179.499 177.584 -0.023 0.000 1.186 127 A CA 2.913 54.925 52.037 -0.041 0.000 0.620 127 A CB -0.684 18.386 19.000 0.118 0.000 0.822 127 A HN -0.070 8.052 8.150 -0.046 0.000 0.443 128 A N -2.164 120.653 122.820 -0.005 0.000 1.877 128 A HA -0.332 3.988 4.320 -0.000 0.000 0.216 128 A C 2.241 179.810 177.584 -0.025 0.000 1.186 128 A CA 3.070 55.101 52.037 -0.011 0.000 0.620 128 A CB -0.700 18.293 19.000 -0.012 0.000 0.822 128 A HN 0.311 8.463 8.150 0.003 0.000 0.443 129 S N -0.301 115.385 115.700 -0.022 0.000 2.356 129 S HA -0.350 4.120 4.470 -0.000 0.000 0.223 129 S C 2.123 176.681 174.600 -0.070 0.000 1.032 129 S CA 4.471 62.675 58.200 0.007 0.000 1.005 129 S CB -0.148 63.124 63.200 0.120 0.000 0.867 129 S HN -0.153 8.141 8.310 -0.027 0.000 0.449 130 I N 1.436 121.919 120.570 -0.144 0.000 2.286 130 I HA -0.550 3.620 4.170 -0.000 0.000 0.248 130 I C 1.345 177.362 176.117 -0.167 0.000 1.115 130 I CA 4.234 65.364 61.300 -0.284 0.000 1.392 130 I CB -0.212 37.546 38.000 -0.403 0.000 1.065 130 I HN -0.010 8.138 8.210 -0.103 0.000 0.418 131 E N 0.437 120.581 120.200 -0.093 0.000 2.077 131 E HA -0.390 3.960 4.350 -0.000 0.000 0.193 131 E C 2.611 179.188 176.600 -0.038 0.000 0.989 131 E CA 3.504 59.879 56.400 -0.041 0.000 0.800 131 E CB -0.205 29.486 29.700 -0.014 0.000 0.746 131 E HN -0.165 8.143 8.360 -0.086 0.000 0.452 132 D N -1.397 118.978 120.400 -0.042 0.000 2.323 132 D HA -0.092 4.548 4.640 -0.000 0.000 0.209 132 D C 0.960 177.237 176.300 -0.039 0.000 0.973 132 D CA 0.822 54.805 54.000 -0.029 0.000 0.874 132 D CB 0.205 40.996 40.800 -0.016 0.000 0.930 132 D HN -0.465 7.790 8.370 -0.046 0.087 0.521 133 L N 0.704 121.880 121.223 -0.078 0.000 2.506 133 L HA -0.199 4.141 4.340 -0.000 0.000 0.281 133 L C -0.522 176.308 176.870 -0.067 0.000 1.228 133 L CA 0.065 54.845 54.840 -0.099 0.000 0.850 133 L CB 0.784 42.702 42.059 -0.235 0.000 1.110 133 L HN -0.587 7.422 8.230 -0.103 0.159 0.496 134 D N 2.024 122.396 120.400 -0.047 0.000 2.458 134 D HA 0.011 4.651 4.640 -0.000 0.000 0.243 134 D C 1.438 177.717 176.300 -0.036 0.000 1.146 134 D CA 0.425 54.408 54.000 -0.028 0.000 0.877 134 D CB 0.888 41.680 40.800 -0.013 0.000 1.176 134 D HN 0.008 8.354 8.370 -0.040 0.000 0.461 135 S N 7.414 123.100 115.700 -0.023 0.000 2.392 135 S HA -0.370 4.100 4.470 -0.000 0.000 0.232 135 S C 1.625 176.215 174.600 -0.016 0.000 1.041 135 S CA 3.680 61.870 58.200 -0.017 0.000 1.026 135 S CB -0.328 62.866 63.200 -0.009 0.000 0.845 135 S HN 0.461 8.761 8.310 -0.018 0.000 0.465 136 A N 1.095 123.908 122.820 -0.013 0.000 1.972 136 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 136 A C 1.566 179.145 177.584 -0.010 0.000 1.169 136 A CA 2.448 54.480 52.037 -0.008 0.000 0.635 136 A CB -0.542 18.456 19.000 -0.004 0.000 0.810 136 A HN -0.486 7.777 8.150 -0.012 -0.120 0.446 137 I N -2.711 117.846 120.570 -0.022 0.000 2.494 137 I HA -0.223 3.947 4.170 -0.000 0.000 0.250 137 I C 2.297 178.372 176.117 -0.071 0.000 1.112 137 I CA 2.425 63.707 61.300 -0.029 0.000 1.438 137 I CB 0.347 38.331 38.000 -0.027 0.000 1.111 137 I HN -0.457 7.610 8.210 -0.028 0.126 0.431 138 R N 1.202 121.642 120.500 -0.101 0.000 2.091 138 R HA -0.399 3.941 4.340 -0.000 0.000 0.238 138 R C 2.231 178.547 176.300 0.026 0.000 1.136 138 R CA 3.869 59.908 56.100 -0.102 0.000 0.959 138 R CB -0.276 29.988 30.300 -0.061 0.000 0.856 138 R HN 0.114 8.332 8.270 -0.086 0.000 0.437 139 D N -1.370 119.040 120.400 0.018 0.000 2.350 139 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 139 D C 1.428 177.743 176.300 0.026 0.000 0.968 139 D CA 2.537 56.551 54.000 0.023 0.000 0.894 139 D CB -0.812 39.987 40.800 -0.001 0.000 0.909 139 D HN 0.056 8.413 8.370 -0.004 0.010 0.520 140 K N -1.323 119.093 120.400 0.027 0.000 2.400 140 K HA -0.019 4.301 4.320 -0.000 0.000 0.194 140 K C -0.211 176.429 176.600 0.068 0.000 1.033 140 K CA 0.470 56.777 56.287 0.034 0.000 1.021 140 K CB 0.718 33.237 32.500 0.032 0.000 0.808 140 K HN -0.248 7.812 8.250 0.012 0.197 0.505 141 I N 0.807 121.440 120.570 0.104 0.000 2.329 141 I HA -0.113 4.057 4.170 -0.000 0.000 0.295 141 I C 0.009 176.253 176.117 0.212 0.000 1.109 141 I CA -0.167 61.236 61.300 0.172 0.000 1.297 141 I CB -0.915 37.175 38.000 0.149 0.000 1.433 141 I HN -0.349 7.755 8.210 0.095 0.163 0.509 142 A N 8.451 131.351 122.820 0.133 0.000 2.070 142 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 142 A C -0.888 176.754 177.584 0.096 0.000 1.159 142 A CA 1.861 53.941 52.037 0.072 0.000 0.656 142 A CB 0.299 19.309 19.000 0.017 0.000 0.800 142 A HN 0.522 8.741 8.150 0.115 0.000 0.453 143 G N -6.643 102.288 108.800 0.219 0.000 2.702 143 G HA2 0.180 4.140 3.960 -0.000 0.000 0.296 143 G HA3 0.180 4.140 3.960 -0.000 0.000 0.296 143 G C -2.789 172.363 174.900 0.420 0.000 1.463 143 G CA -0.089 45.198 45.100 0.312 0.000 0.890 143 G HN -0.868 7.533 8.290 0.245 0.036 0.534 144 T N 2.852 117.700 114.554 0.490 0.000 2.916 144 T HA 0.764 5.114 4.350 -0.000 0.000 0.298 144 T C -1.567 173.257 174.700 0.207 0.000 1.031 144 T CA -0.405 61.868 62.100 0.289 0.000 0.993 144 T CB 2.875 71.758 68.868 0.026 0.000 1.045 144 T HN 0.340 8.950 8.240 0.616 0.000 0.454 145 V N 0.799 120.814 119.914 0.169 0.000 2.495 145 V HA 1.089 5.209 4.120 -0.000 0.000 0.298 145 V C -2.047 173.978 176.094 -0.116 0.000 1.031 145 V CA -2.595 59.689 62.300 -0.027 0.000 0.871 145 V CB 1.193 33.053 31.823 0.063 0.000 0.988 145 V HN 0.562 8.916 8.190 0.273 0.000 0.432 146 L N 3.543 124.596 121.223 -0.282 0.000 2.349 146 L HA 0.796 5.136 4.340 -0.000 0.000 0.278 146 L C -1.199 175.553 176.870 -0.197 0.000 0.996 146 L CA -1.261 53.443 54.840 -0.226 0.000 0.825 146 L CB 2.382 44.176 42.059 -0.441 0.000 1.243 146 L HN 0.514 8.532 8.230 -0.354 0.000 0.412 147 F N 1.108 121.096 119.950 0.064 0.000 2.443 147 F HA 0.501 5.028 4.527 -0.000 0.000 0.335 147 F C 0.694 176.425 175.800 -0.115 0.000 1.104 147 F CA -1.275 56.628 58.000 -0.161 0.000 1.013 147 F CB 1.333 40.149 39.000 -0.306 0.000 1.136 147 F HN 0.785 9.302 8.300 0.362 0.000 0.470 148 G N 3.501 112.239 108.800 -0.104 0.000 2.393 148 G HA2 -0.549 3.411 3.960 -0.000 0.000 0.299 148 G HA3 -0.549 3.411 3.960 -0.000 0.000 0.299 148 G C -0.956 174.159 174.900 0.360 0.000 0.990 148 G CA 0.720 46.007 45.100 0.312 0.000 1.118 148 G HN 0.579 8.653 8.290 -0.361 0.000 0.513 149 Y N 1.380 121.756 120.300 0.127 0.000 2.784 149 Y HA -0.197 4.353 4.550 -0.000 0.000 0.355 149 Y C 0.435 176.373 175.900 0.064 0.000 1.198 149 Y CA -2.195 55.949 58.100 0.073 0.000 1.588 149 Y CB -0.299 38.182 38.460 0.035 0.000 1.220 149 Y HN -0.556 7.937 8.280 0.355 0.000 0.517 150 T N 3.910 118.513 114.554 0.082 0.000 2.977 150 T HA -0.229 4.121 4.350 -0.000 0.000 0.271 150 T C 0.013 174.565 174.700 -0.247 0.000 1.105 150 T CA 1.912 63.970 62.100 -0.070 0.000 1.116 150 T CB -0.448 68.404 68.868 -0.026 0.000 0.878 150 T HN 0.037 8.401 8.240 0.208 0.000 0.509 151 K N -2.002 118.048 120.400 -0.583 0.000 2.514 151 K HA 0.250 4.570 4.320 -0.000 0.000 0.207 151 K C -0.182 175.876 176.600 -0.903 0.000 1.035 151 K CA -1.410 54.502 56.287 -0.624 0.000 1.113 151 K CB -0.867 31.370 32.500 -0.439 0.000 0.846 151 K HN -0.376 7.374 8.250 -0.761 0.044 0.491 152 N N 1.750 119.926 118.700 -0.873 0.000 2.043 152 N HA -0.336 4.404 4.740 -0.000 0.000 0.193 152 N C 0.935 176.331 175.510 -0.190 0.000 1.037 152 N CA 4.175 56.954 53.050 -0.452 0.000 0.851 152 N CB -0.028 38.405 38.487 -0.090 0.000 1.027 152 N HN -0.289 7.531 8.380 -0.664 0.161 0.422 153 L N -1.033 120.102 121.223 -0.146 0.000 2.027 153 L HA -0.300 4.040 4.340 -0.000 0.000 0.206 153 L C 1.621 178.443 176.870 -0.081 0.000 1.074 153 L CA 3.475 58.268 54.840 -0.078 0.000 0.745 153 L CB -0.442 41.583 42.059 -0.057 0.000 0.898 153 L HN 0.147 8.280 8.230 -0.162 0.000 0.433 154 Q N -1.827 117.905 119.800 -0.114 0.000 2.135 154 Q HA -0.366 3.974 4.340 -0.000 0.000 0.204 154 Q C 1.448 177.408 176.000 -0.066 0.000 0.981 154 Q CA 3.102 58.853 55.803 -0.087 0.000 0.856 154 Q CB -0.456 28.222 28.738 -0.100 0.000 0.902 154 Q HN 0.191 8.371 8.270 -0.150 0.000 0.425 155 N N -3.899 114.749 118.700 -0.088 0.000 2.270 155 N HA 0.130 4.870 4.740 -0.000 0.000 0.198 155 N C -1.333 174.194 175.510 0.027 0.000 1.117 155 N CA -0.461 52.582 53.050 -0.011 0.000 0.845 155 N CB 0.382 38.894 38.487 0.040 0.000 0.980 155 N HN -0.140 8.127 8.380 -0.168 0.011 0.486 156 R N -3.269 117.232 120.500 0.003 0.000 3.525 156 R HA -0.390 3.950 4.340 -0.000 0.000 0.276 156 R C 0.338 176.672 176.300 0.056 0.000 1.116 156 R CA 0.309 56.422 56.100 0.021 0.000 0.745 156 R CB -2.979 27.332 30.300 0.019 0.000 1.185 156 R HN -0.056 8.002 8.270 -0.030 0.195 0.454 157 G N -5.237 103.622 108.800 0.098 0.000 2.153 157 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.252 157 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.252 157 G C -0.633 174.372 174.900 0.175 0.000 0.994 157 G CA 0.380 45.579 45.100 0.165 0.000 0.698 157 G HN 0.383 8.598 8.290 0.064 0.113 0.521 158 R N -1.761 118.857 120.500 0.197 0.000 2.919 158 R HA 0.497 4.837 4.340 -0.000 0.000 0.260 158 R C -1.567 174.847 176.300 0.190 0.000 1.067 158 R CA -2.357 53.832 56.100 0.148 0.000 1.003 158 R CB 3.020 33.379 30.300 0.099 0.000 1.192 158 R HN -0.589 7.653 8.270 0.198 0.147 0.488 159 I N 1.817 122.469 120.570 0.137 0.000 2.362 159 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 159 I C -1.959 174.229 176.117 0.119 0.000 0.994 159 I CA -3.384 57.980 61.300 0.106 0.000 1.158 159 I CB 1.722 39.729 38.000 0.011 0.000 1.315 159 I HN 0.362 8.660 8.210 0.147 0.000 0.451 160 P HA -0.144 4.276 4.420 -0.000 0.000 0.262 160 P C -1.567 175.778 177.300 0.075 0.000 1.182 160 P CA 1.082 64.223 63.100 0.068 0.000 0.761 160 P CB 0.172 31.899 31.700 0.045 0.000 0.795 161 N N -3.715 115.027 118.700 0.071 0.000 2.800 161 N HA -0.450 4.290 4.740 -0.000 0.000 0.250 161 N C -1.966 173.624 175.510 0.133 0.000 1.078 161 N CA 1.317 54.409 53.050 0.070 0.000 0.804 161 N CB -1.452 37.062 38.487 0.045 0.000 1.135 161 N HN 0.253 8.667 8.380 0.058 0.000 0.565 162 Y N 0.531 120.819 120.300 -0.020 0.000 2.391 162 Y HA 0.293 4.843 4.550 -0.000 0.000 0.341 162 Y C -2.521 173.374 175.900 -0.010 0.000 0.965 162 Y CA -2.779 55.307 58.100 -0.023 0.000 1.067 162 Y CB 2.832 41.273 38.460 -0.032 0.000 1.199 162 Y HN -0.616 7.731 8.280 0.182 0.043 0.450 163 P HA -0.063 4.357 4.420 -0.000 0.000 0.265 163 P C -0.443 176.741 177.300 -0.193 0.000 1.193 163 P CA 0.121 63.054 63.100 -0.278 0.000 0.765 163 P CB 0.847 32.352 31.700 -0.323 0.000 0.823 164 A N 4.894 127.671 122.820 -0.072 0.000 1.933 164 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 164 A C 1.925 179.504 177.584 -0.007 0.000 1.175 164 A CA 2.887 54.913 52.037 -0.019 0.000 0.628 164 A CB -0.714 18.280 19.000 -0.010 0.000 0.814 164 A HN 0.446 8.559 8.150 -0.061 0.000 0.444 165 D N -4.528 115.856 120.400 -0.027 0.000 2.310 165 D HA -0.242 4.398 4.640 -0.000 0.000 0.212 165 D C 1.246 177.596 176.300 0.084 0.000 0.965 165 D CA 2.465 56.477 54.000 0.020 0.000 0.879 165 D CB -0.876 39.916 40.800 -0.014 0.000 0.921 165 D HN 0.465 8.789 8.370 -0.058 0.011 0.510 166 R N -2.721 117.784 120.500 0.009 0.000 2.359 166 R HA 0.202 4.542 4.340 -0.000 0.000 0.231 166 R C -0.958 175.582 176.300 0.400 0.000 0.913 166 R CA -0.447 55.715 56.100 0.104 0.000 1.075 166 R CB 0.636 30.802 30.300 -0.223 0.000 1.087 166 R HN -0.656 7.393 8.270 -0.112 0.154 0.515 167 T N 0.965 115.684 114.554 0.275 0.000 2.823 167 T HA 0.502 4.852 4.350 -0.000 0.000 0.279 167 T C -1.585 172.997 174.700 -0.197 0.000 0.998 167 T CA -0.665 61.529 62.100 0.156 0.000 0.994 167 T CB 1.604 70.540 68.868 0.112 0.000 0.960 167 T HN -0.510 7.638 8.240 0.160 0.188 0.448 168 K N 6.132 126.230 120.400 -0.503 0.000 2.507 168 K HA 0.363 4.683 4.320 -0.000 0.000 0.252 168 K C -2.181 174.009 176.600 -0.683 0.000 0.943 168 K CA -0.855 54.909 56.287 -0.872 0.000 0.808 168 K CB 3.253 34.746 32.500 -1.677 0.000 1.142 168 K HN 0.425 8.476 8.250 -0.330 0.000 0.426 169 V N 5.925 125.477 119.914 -0.603 0.000 2.459 169 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 169 V C -0.709 175.083 176.094 -0.502 0.000 1.029 169 V CA -1.017 61.031 62.300 -0.421 0.000 0.874 169 V CB 1.242 32.971 31.823 -0.156 0.000 0.985 169 V HN 0.135 7.966 8.190 -0.598 0.000 0.438 170 F N 7.031 126.883 119.950 -0.164 0.000 2.347 170 F HA 0.308 4.835 4.527 -0.000 0.000 0.366 170 F C -1.602 174.302 175.800 0.173 0.000 1.107 170 F CA -1.553 56.452 58.000 0.008 0.000 1.058 170 F CB 1.610 40.611 39.000 0.002 0.000 1.236 170 F HN 0.925 9.158 8.300 -0.112 0.000 0.456 171 c N 5.499 124.332 118.600 0.389 0.000 2.407 171 c HA 0.281 4.851 4.570 -0.000 0.000 0.328 171 c C -0.907 173.415 174.090 0.386 0.000 1.137 171 c CA -1.488 55.091 56.329 0.417 0.000 1.390 171 c CB 0.759 43.421 42.510 0.253 0.000 1.989 171 c HN 0.542 8.941 8.230 0.280 0.000 0.432 172 N N 5.659 124.629 118.700 0.450 0.000 2.479 172 N HA 0.115 4.855 4.740 -0.000 0.000 0.257 172 N C -0.438 175.162 175.510 0.150 0.000 1.232 172 N CA 0.417 53.587 53.050 0.201 0.000 0.920 172 N CB 0.992 39.470 38.487 -0.015 0.000 1.105 172 N HN 0.317 9.118 8.380 0.702 0.000 0.444 173 T N 2.707 117.319 114.554 0.097 0.000 2.888 173 T HA -0.108 4.242 4.350 -0.000 0.000 0.301 173 T C 0.825 175.563 174.700 0.064 0.000 1.001 173 T CA 2.121 64.266 62.100 0.075 0.000 1.147 173 T CB 0.023 68.923 68.868 0.054 0.000 0.931 173 T HN 0.204 8.493 8.240 0.083 0.000 0.541 174 G N 7.254 116.093 108.800 0.065 0.000 2.195 174 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.246 174 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.246 174 G C -1.148 173.798 174.900 0.078 0.000 0.984 174 G CA -0.283 44.851 45.100 0.057 0.000 0.633 174 G HN 0.362 8.692 8.290 0.067 0.000 0.525 175 D N 2.240 122.711 120.400 0.119 0.000 2.402 175 D HA 0.128 4.768 4.640 -0.000 0.000 0.235 175 D C 1.124 177.494 176.300 0.117 0.000 1.226 175 D CA -1.301 52.803 54.000 0.173 0.000 0.918 175 D CB -0.435 40.561 40.800 0.327 0.000 1.043 175 D HN -0.375 7.906 8.370 0.127 0.165 0.506 176 L N 5.119 126.377 121.223 0.059 0.000 2.189 176 L HA -0.384 3.956 4.340 -0.000 0.000 0.214 176 L C 1.470 178.336 176.870 -0.006 0.000 1.097 176 L CA 2.438 57.289 54.840 0.018 0.000 0.764 176 L CB -0.557 41.501 42.059 -0.002 0.000 0.900 176 L HN -0.106 8.159 8.230 0.058 0.000 0.436 177 V N -5.577 114.319 119.914 -0.030 0.000 2.759 177 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 177 V C 1.815 177.907 176.094 -0.004 0.000 1.080 177 V CA 2.627 64.894 62.300 -0.055 0.000 1.101 177 V CB -1.241 30.498 31.823 -0.140 0.000 0.698 177 V HN -0.463 7.880 8.190 -0.038 -0.175 0.477 178 c N -1.101 117.535 118.600 0.060 0.000 2.539 178 c HA 0.006 4.576 4.570 -0.000 0.000 0.268 178 c C 1.068 175.170 174.090 0.020 0.000 1.395 178 c CA 2.182 58.549 56.329 0.063 0.000 1.757 178 c CB -1.485 41.111 42.510 0.144 0.000 1.851 178 c HN -0.054 8.204 8.230 0.096 0.030 0.545 179 T N 0.306 114.867 114.554 0.012 0.000 3.174 179 T HA 0.208 4.558 4.350 -0.000 0.000 0.269 179 T C 0.166 174.856 174.700 -0.018 0.000 1.017 179 T CA 0.342 62.443 62.100 0.002 0.000 0.899 179 T CB -0.529 68.350 68.868 0.018 0.000 1.077 179 T HN -0.315 7.738 8.240 0.015 0.197 0.552 180 G N 1.146 109.924 108.800 -0.037 0.000 2.176 180 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.232 180 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.232 180 G C -0.779 174.096 174.900 -0.042 0.000 0.986 180 G CA -0.064 45.009 45.100 -0.045 0.000 0.643 180 G HN -0.429 7.773 8.290 -0.044 0.062 0.522 181 S N 0.653 116.330 115.700 -0.039 0.000 2.739 181 S HA 0.284 4.754 4.470 -0.000 0.000 0.306 181 S C -0.178 174.388 174.600 -0.057 0.000 1.115 181 S CA -1.129 57.047 58.200 -0.040 0.000 0.985 181 S CB 1.869 65.051 63.200 -0.029 0.000 1.133 181 S HN -0.458 7.830 8.310 -0.036 0.000 0.541 182 L N -0.076 121.114 121.223 -0.055 0.000 2.857 182 L HA 0.229 4.569 4.340 -0.000 0.000 0.249 182 L C -0.143 176.682 176.870 -0.075 0.000 1.172 182 L CA -0.726 54.072 54.840 -0.071 0.000 0.980 182 L CB 0.617 42.645 42.059 -0.052 0.000 1.299 182 L HN 0.288 8.492 8.230 -0.043 0.000 0.535 183 I N 1.573 122.105 120.570 -0.064 0.000 2.496 183 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 183 I C -0.421 175.652 176.117 -0.074 0.000 1.080 183 I CA -0.611 60.660 61.300 -0.049 0.000 1.404 183 I CB -0.273 37.712 38.000 -0.026 0.000 1.403 183 I HN -0.233 7.870 8.210 -0.055 0.074 0.539 184 V N 7.755 127.638 119.914 -0.052 0.000 2.348 184 V HA 0.083 4.203 4.120 -0.000 0.000 0.270 184 V C -1.035 175.081 176.094 0.037 0.000 1.037 184 V CA -0.179 62.102 62.300 -0.033 0.000 0.872 184 V CB -0.152 31.686 31.823 0.025 0.000 1.002 184 V HN 0.319 8.490 8.190 -0.032 0.000 0.464 185 A N 7.832 130.691 122.820 0.065 0.000 2.309 185 A HA 0.425 4.745 4.320 -0.000 0.000 0.317 185 A C -0.124 177.526 177.584 0.111 0.000 1.134 185 A CA -1.253 50.828 52.037 0.073 0.000 0.866 185 A CB 1.953 20.985 19.000 0.054 0.000 1.329 185 A HN 0.058 8.246 8.150 0.062 0.000 0.477 186 A N -0.872 121.991 122.820 0.073 0.000 1.927 186 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 186 A C -0.511 177.103 177.584 0.051 0.000 1.185 186 A CA 4.095 56.167 52.037 0.058 0.000 0.639 186 A CB -2.397 16.620 19.000 0.028 0.000 0.820 186 A HN 0.701 8.883 8.150 0.054 0.000 0.451 187 P HA -0.197 4.223 4.420 -0.000 0.000 0.221 187 P C 1.318 178.617 177.300 -0.001 0.000 1.145 187 P CA 2.453 65.547 63.100 -0.009 0.000 0.795 187 P CB -0.327 31.386 31.700 0.022 0.000 0.775 188 H N -0.925 118.190 119.070 0.075 0.000 2.521 188 H HA -0.149 4.407 4.556 -0.000 0.000 0.286 188 H C 0.667 176.194 175.328 0.331 0.000 1.034 188 H CA 2.441 58.656 56.048 0.278 0.000 1.278 188 H CB 0.078 29.992 29.762 0.254 0.000 1.386 188 H HN -0.296 7.991 8.280 0.260 0.149 0.567 189 L N -3.148 118.143 121.223 0.114 0.000 2.700 189 L HA 0.106 4.446 4.340 -0.000 0.000 0.234 189 L C -0.587 176.228 176.870 -0.092 0.000 1.156 189 L CA -0.847 54.020 54.840 0.046 0.000 0.946 189 L CB -0.401 41.704 42.059 0.075 0.000 1.216 189 L HN -0.515 7.618 8.230 0.108 0.162 0.493 190 A N -1.175 121.495 122.820 -0.250 0.000 2.965 190 A HA 0.304 4.624 4.320 -0.000 0.000 0.304 190 A C -0.321 177.001 177.584 -0.437 0.000 1.214 190 A CA 0.027 51.886 52.037 -0.296 0.000 0.977 190 A CB -0.125 18.729 19.000 -0.243 0.000 1.127 190 A HN -0.801 6.975 8.150 -0.333 0.174 0.572 191 Y N -2.749 117.448 120.300 -0.171 0.000 2.458 191 Y HA 0.011 4.561 4.550 -0.000 0.000 0.256 191 Y C 1.230 176.948 175.900 -0.303 0.000 1.159 191 Y CA -0.405 57.563 58.100 -0.219 0.000 1.261 191 Y CB -0.068 38.199 38.460 -0.322 0.000 1.119 191 Y HN -0.146 7.956 8.280 -0.195 0.062 0.524 192 G N 1.263 109.965 108.800 -0.163 0.000 2.553 192 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 192 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 192 G C -1.248 173.574 174.900 -0.130 0.000 1.195 192 G CA 2.559 47.559 45.100 -0.167 0.000 0.779 192 G HN 0.621 8.757 8.290 -0.164 0.055 0.577 193 P HA -0.193 4.227 4.420 -0.000 0.000 0.216 193 P C 1.226 178.482 177.300 -0.073 0.000 1.153 193 P CA 2.809 65.870 63.100 -0.066 0.000 0.858 193 P CB -0.311 31.362 31.700 -0.044 0.000 0.789 194 D N -2.720 117.624 120.400 -0.094 0.000 2.117 194 D HA -0.267 4.373 4.640 -0.000 0.000 0.197 194 D C 1.849 178.057 176.300 -0.153 0.000 0.987 194 D CA 3.307 57.175 54.000 -0.221 0.000 0.829 194 D CB -0.732 39.818 40.800 -0.418 0.000 0.961 194 D HN -0.552 7.780 8.370 -0.063 0.000 0.460 195 A N -1.339 121.415 122.820 -0.109 0.000 2.015 195 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 195 A C 1.046 178.591 177.584 -0.066 0.000 1.163 195 A CA 2.318 54.299 52.037 -0.093 0.000 0.646 195 A CB -0.480 18.309 19.000 -0.351 0.000 0.806 195 A HN -0.279 7.772 8.150 -0.166 0.000 0.448 196 R N -3.402 117.051 120.500 -0.078 0.000 2.161 196 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 196 R C 1.045 177.326 176.300 -0.031 0.000 1.055 196 R CA 1.733 57.799 56.100 -0.057 0.000 0.996 196 R CB 0.584 30.849 30.300 -0.059 0.000 0.901 196 R HN -0.501 7.578 8.270 -0.094 0.135 0.456 197 G N -2.010 106.779 108.800 -0.019 0.000 2.446 197 G HA2 0.443 4.403 3.960 -0.000 0.000 0.200 197 G HA3 0.443 4.403 3.960 -0.000 0.000 0.200 197 G C -1.913 173.021 174.900 0.057 0.000 1.707 197 G CA 0.324 45.431 45.100 0.012 0.000 0.697 197 G HN -0.257 7.916 8.290 -0.037 0.096 0.675 198 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 198 P C 1.190 178.679 177.300 0.315 0.000 1.150 198 P CA 2.349 65.582 63.100 0.222 0.000 0.843 198 P CB -0.226 31.673 31.700 0.332 0.000 0.787 199 C N -1.857 117.550 119.300 0.179 0.000 2.455 199 C HA -0.027 4.433 4.460 -0.000 0.000 0.281 199 C C -0.633 174.500 174.990 0.239 0.000 1.237 199 C CA 4.473 63.649 59.018 0.264 0.000 1.726 199 C CB -2.349 25.529 27.740 0.230 0.000 2.068 199 C HN 0.360 8.578 8.230 0.003 0.014 0.466 200 P HA -0.229 4.191 4.420 -0.000 0.000 0.218 200 P C 1.711 179.053 177.300 0.069 0.000 1.149 200 P CA 2.892 66.020 63.100 0.048 0.000 0.817 200 P CB -0.870 30.817 31.700 -0.022 0.000 0.785 201 E N -0.298 119.964 120.200 0.103 0.000 2.058 201 E HA -0.371 3.979 4.350 -0.000 0.000 0.194 201 E C 1.957 178.638 176.600 0.136 0.000 0.997 201 E CA 3.273 59.730 56.400 0.095 0.000 0.801 201 E CB -0.221 29.547 29.700 0.114 0.000 0.746 201 E HN -0.200 8.214 8.360 0.114 0.015 0.450 202 F N 0.486 120.483 119.950 0.077 0.000 2.102 202 F HA -0.341 4.186 4.527 -0.000 0.000 0.298 202 F C 1.515 177.359 175.800 0.072 0.000 1.105 202 F CA 3.491 61.536 58.000 0.074 0.000 1.239 202 F CB 0.267 39.324 39.000 0.095 0.000 0.991 202 F HN -0.188 8.343 8.300 0.385 0.000 0.474 203 L N -1.278 120.027 121.223 0.136 0.000 2.042 203 L HA -0.504 3.836 4.340 -0.000 0.000 0.210 203 L C 2.234 179.117 176.870 0.021 0.000 1.076 203 L CA 3.528 58.396 54.840 0.046 0.000 0.749 203 L CB -0.326 41.794 42.059 0.102 0.000 0.893 203 L HN -0.189 8.229 8.230 0.313 0.000 0.432 204 I N -1.640 118.956 120.570 0.044 0.000 2.179 204 I HA -0.628 3.542 4.170 -0.000 0.000 0.242 204 I C 1.746 177.874 176.117 0.019 0.000 1.088 204 I CA 4.456 65.795 61.300 0.065 0.000 1.357 204 I CB -0.383 37.555 38.000 -0.103 0.000 1.051 204 I HN 0.322 8.552 8.210 0.033 0.000 0.409 205 E N 0.432 120.594 120.200 -0.063 0.000 2.085 205 E HA -0.427 3.923 4.350 -0.000 0.000 0.194 205 E C 2.484 179.002 176.600 -0.138 0.000 0.994 205 E CA 3.600 59.944 56.400 -0.094 0.000 0.801 205 E CB -0.201 29.432 29.700 -0.112 0.000 0.743 205 E HN -0.268 8.053 8.360 -0.064 0.000 0.453 206 K N -1.985 118.259 120.400 -0.259 0.000 2.148 206 K HA -0.206 4.114 4.320 -0.000 0.000 0.204 206 K C 2.817 179.357 176.600 -0.099 0.000 1.050 206 K CA 2.127 58.263 56.287 -0.251 0.000 0.942 206 K CB -0.405 31.840 32.500 -0.425 0.000 0.724 206 K HN -0.157 7.882 8.250 -0.352 0.000 0.446 207 V N 0.125 120.024 119.914 -0.025 0.000 2.379 207 V HA -0.360 3.760 4.120 -0.000 0.000 0.245 207 V C 2.014 178.126 176.094 0.030 0.000 1.044 207 V CA 4.291 66.601 62.300 0.017 0.000 1.036 207 V CB -0.596 31.275 31.823 0.080 0.000 0.664 207 V HN -0.021 8.164 8.190 -0.008 0.000 0.453 208 R N -1.260 119.277 120.500 0.062 0.000 2.148 208 R HA -0.322 4.018 4.340 -0.000 0.000 0.227 208 R C 2.344 178.646 176.300 0.002 0.000 1.103 208 R CA 3.338 59.465 56.100 0.046 0.000 0.983 208 R CB -0.381 29.944 30.300 0.042 0.000 0.874 208 R HN 0.321 8.636 8.270 0.075 0.000 0.451 209 A N -0.704 122.101 122.820 -0.024 0.000 1.933 209 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 209 A C 1.323 178.890 177.584 -0.029 0.000 1.175 209 A CA 2.952 54.968 52.037 -0.034 0.000 0.628 209 A CB -0.369 18.596 19.000 -0.059 0.000 0.814 209 A HN -0.016 8.004 8.150 -0.035 0.109 0.444 210 V N -6.746 113.151 119.914 -0.029 0.000 3.125 210 V HA 0.077 4.197 4.120 -0.000 0.000 0.249 210 V C 1.432 177.513 176.094 -0.022 0.000 1.113 210 V CA 1.251 63.535 62.300 -0.027 0.000 1.106 210 V CB 0.161 31.965 31.823 -0.031 0.000 0.768 210 V HN -0.589 7.573 8.190 -0.030 0.010 0.468 211 R N -1.346 119.144 120.500 -0.017 0.000 2.265 211 R HA 0.107 4.447 4.340 -0.000 0.000 0.194 211 R C 0.908 177.206 176.300 -0.004 0.000 0.931 211 R CA 0.097 56.187 56.100 -0.016 0.000 1.032 211 R CB 0.941 31.227 30.300 -0.023 0.000 0.980 211 R HN 0.210 8.473 8.270 -0.012 0.000 0.497 212 G N 0.041 108.842 108.800 0.002 0.000 2.528 212 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.262 212 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.262 212 G C -2.097 172.814 174.900 0.019 0.000 1.200 212 G CA 0.267 45.370 45.100 0.005 0.000 0.951 212 G HN 0.190 8.383 8.290 0.000 0.097 0.566 213 S N 0.000 115.709 115.700 0.015 0.000 2.498 213 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 213 S CA 0.000 58.213 58.200 0.022 0.000 1.107 213 S CB 0.000 63.219 63.200 0.031 0.000 0.593 213 S HN 0.000 8.314 8.310 0.007 0.000 0.517