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 3fch_1_A DATA FIRST_RESID 50 DATA SEQUENCE QVEQIELRTY VFLDSLQPQL AAYMGTVSRG FLPIPGDSCL WMEVSPGMAV DATA SEQUENCE HRVTDIALKA SNVRLGQMIV ERAFGSLALY HKDQSTVLHS GDVVLDAIGS DATA SEQUENCE EVRKRTKPST SWTEVICAIT PDHAVLINRQ NRSGSMIQSG MSMFILETEP DATA SEQUENCE AGYVLKAANE AEKSANITII DVKAVGAFGR LTLAGKEGDV EEAAAAAIRA DATA SEQUENCE IDQIS 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 50 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 50 Q C 0.000 176.004 176.000 0.007 0.000 1.003 50 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 50 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 51 V N -4.100 115.816 119.914 0.003 0.000 3.461 51 V HA 0.081 4.204 4.120 0.005 0.000 0.267 51 V C 0.194 176.288 176.094 0.001 0.000 1.186 51 V CA 1.854 64.155 62.300 0.002 0.000 1.154 51 V CB 0.026 31.848 31.823 -0.002 0.000 0.802 51 V HN 0.091 8.282 8.190 0.002 0.000 0.474 52 E N -1.662 118.539 120.200 0.001 0.000 2.250 52 E HA -0.047 4.301 4.350 -0.002 0.000 0.192 52 E C 0.287 176.891 176.600 0.006 0.000 0.986 52 E CA 1.384 57.784 56.400 0.001 0.000 0.849 52 E CB 0.284 29.983 29.700 -0.000 0.000 0.797 52 E HN -0.216 8.093 8.360 0.002 0.053 0.482 53 Q N -3.684 116.122 119.800 0.010 0.000 2.444 53 Q HA -0.103 4.246 4.340 0.015 0.000 0.206 53 Q C -0.120 175.893 176.000 0.021 0.000 0.948 53 Q CA 0.156 55.968 55.803 0.016 0.000 0.946 53 Q CB -0.103 28.644 28.738 0.016 0.000 1.027 53 Q HN -0.321 7.954 8.270 0.009 0.000 0.513 54 I N 1.426 122.006 120.570 0.018 0.000 2.293 54 I HA -0.054 4.295 4.170 0.029 -0.161 0.299 54 I C -0.009 176.121 176.117 0.023 0.000 1.153 54 I CA -0.245 61.068 61.300 0.022 0.000 1.302 54 I CB -1.297 36.712 38.000 0.015 0.000 1.460 54 I HN -0.769 7.380 8.210 0.013 0.069 0.552 55 E N 7.876 128.096 120.200 0.034 0.000 2.415 55 E HA -0.159 4.207 4.350 0.026 0.000 0.262 55 E C -1.707 174.913 176.600 0.033 0.000 1.038 55 E CA 0.219 56.639 56.400 0.033 0.000 0.921 55 E CB 1.504 31.230 29.700 0.045 0.000 0.950 55 E HN -0.372 8.013 8.360 0.042 0.000 0.438 56 L N 6.420 127.663 121.223 0.033 0.000 2.371 56 L HA 0.426 4.907 4.340 0.049 -0.112 0.262 56 L C -0.391 176.524 176.870 0.075 0.000 1.054 56 L CA -1.405 53.465 54.840 0.049 0.000 0.924 56 L CB -0.096 41.985 42.059 0.037 0.000 1.295 56 L HN 0.496 8.744 8.230 0.030 0.000 0.441 57 R N 3.970 124.504 120.500 0.056 0.000 2.075 57 R HA -0.165 4.213 4.340 0.063 0.000 0.230 57 R C 0.429 176.838 176.300 0.181 0.000 1.140 57 R CA 3.651 59.790 56.100 0.065 0.000 0.928 57 R CB 0.806 31.075 30.300 -0.052 0.000 0.834 57 R HN -0.154 8.137 8.270 0.036 0.000 0.429 58 T N -1.790 112.821 114.554 0.095 0.000 2.887 58 T HA 0.185 4.405 4.350 -0.217 0.000 0.288 58 T C -2.024 172.715 174.700 0.065 0.000 1.021 58 T CA -0.864 61.177 62.100 -0.098 0.000 1.000 58 T CB 2.619 71.364 68.868 -0.205 0.000 1.034 58 T HN -0.732 7.552 8.240 0.074 0.000 0.467 59 Y N 7.011 127.234 120.300 -0.128 0.000 2.517 59 Y HA 0.338 5.083 4.550 0.024 -0.180 0.328 59 Y C -2.658 173.271 175.900 0.049 0.000 1.130 59 Y CA -0.514 57.593 58.100 0.011 0.000 1.280 59 Y CB 1.001 39.496 38.460 0.059 0.000 1.101 59 Y HN 0.438 8.662 8.280 -0.094 0.000 0.610 60 V N 4.416 124.266 119.914 -0.108 0.000 2.547 60 V HA 0.201 4.385 4.120 0.106 0.000 0.299 60 V C -2.218 173.890 176.094 0.025 0.000 1.040 60 V CA -1.711 60.589 62.300 0.000 0.000 0.913 60 V CB 3.238 35.034 31.823 -0.045 0.000 0.992 60 V HN -0.416 7.708 8.190 -0.110 0.000 0.449 61 F N 6.315 126.240 119.950 -0.041 0.000 2.520 61 F HA 0.603 5.290 4.527 -0.042 -0.185 0.322 61 F C -2.317 173.501 175.800 0.029 0.000 1.103 61 F CA -2.089 55.897 58.000 -0.023 0.000 0.926 61 F CB 3.517 42.510 39.000 -0.012 0.000 1.154 61 F HN 0.117 8.565 8.300 0.247 0.000 0.453 62 L N 6.331 127.031 121.223 -0.871 0.000 2.342 62 L HA 0.438 4.564 4.340 -0.358 0.000 0.276 62 L C -0.096 176.243 176.870 -0.885 0.000 0.997 62 L CA -1.438 53.039 54.840 -0.605 0.000 0.838 62 L CB 2.127 44.018 42.059 -0.279 0.000 1.224 62 L HN -0.167 7.436 8.230 -1.046 0.000 0.416 63 D N 2.531 122.638 120.400 -0.488 0.000 2.182 63 D HA -0.251 4.301 4.640 -0.146 0.000 0.201 63 D C -0.694 175.533 176.300 -0.122 0.000 0.986 63 D CA 1.924 55.821 54.000 -0.172 0.000 0.847 63 D CB 0.192 41.046 40.800 0.091 0.000 0.942 63 D HN 0.455 8.670 8.370 -0.257 0.000 0.467 64 S N -2.239 113.385 115.700 -0.127 0.000 2.584 64 S HA 0.004 4.430 4.470 -0.073 0.000 0.280 64 S C -1.663 172.890 174.600 -0.078 0.000 1.162 64 S CA -1.016 57.139 58.200 -0.076 0.000 0.951 64 S CB 1.505 64.686 63.200 -0.033 0.000 1.108 64 S HN -0.776 7.425 8.310 -0.144 0.022 0.464 65 L N 7.140 128.317 121.223 -0.077 0.000 2.360 65 L HA -0.025 4.276 4.340 -0.065 0.000 0.276 65 L C 0.159 176.998 176.870 -0.051 0.000 1.121 65 L CA 0.289 55.087 54.840 -0.069 0.000 0.845 65 L CB 0.393 42.398 42.059 -0.091 0.000 1.143 65 L HN 0.063 8.246 8.230 -0.078 0.000 0.452 66 Q N 4.426 124.202 119.800 -0.040 0.000 2.443 66 Q HA 0.148 4.470 4.340 -0.029 0.000 0.232 66 Q C -0.810 175.176 176.000 -0.025 0.000 1.026 66 Q CA -1.792 53.993 55.803 -0.030 0.000 0.924 66 Q CB -0.931 27.791 28.738 -0.026 0.000 1.256 66 Q HN -0.354 8.108 8.270 -0.039 -0.216 0.519 67 P HA -0.297 4.113 4.420 -0.017 0.000 0.210 67 P C 1.480 178.780 177.300 -0.001 0.000 1.185 67 P CA 3.150 66.242 63.100 -0.013 0.000 0.924 67 P CB 0.386 32.079 31.700 -0.010 0.000 0.786 68 Q N -4.057 115.744 119.800 0.002 0.000 2.096 68 Q HA -0.375 3.983 4.340 0.029 0.000 0.204 68 Q C 2.377 178.403 176.000 0.043 0.000 0.982 68 Q CA 3.111 58.924 55.803 0.017 0.000 0.850 68 Q CB -0.327 28.410 28.738 -0.002 0.000 0.901 68 Q HN -0.271 8.189 8.270 -0.005 -0.192 0.422 69 L N -2.304 118.931 121.223 0.019 0.000 2.376 69 L HA -0.158 4.223 4.340 0.068 0.000 0.219 69 L C 0.675 177.585 176.870 0.066 0.000 1.133 69 L CA 1.577 56.444 54.840 0.044 0.000 0.816 69 L CB -0.502 41.558 42.059 0.001 0.000 0.933 69 L HN -0.629 7.907 8.230 -0.000 -0.307 0.449 70 A N -0.353 122.477 122.820 0.017 0.000 1.874 70 A HA -0.252 4.031 4.320 -0.061 0.000 0.214 70 A C 1.295 178.873 177.584 -0.010 0.000 1.189 70 A CA 2.735 54.754 52.037 -0.031 0.000 0.615 70 A CB -0.713 18.253 19.000 -0.058 0.000 0.830 70 A HN -0.539 7.466 8.150 0.008 0.150 0.443 71 A N -1.525 121.309 122.820 0.023 0.000 2.014 71 A HA -0.300 4.020 4.320 -0.001 0.000 0.218 71 A C 0.933 178.552 177.584 0.059 0.000 1.163 71 A CA 2.621 54.674 52.037 0.027 0.000 0.652 71 A CB -0.332 18.688 19.000 0.033 0.000 0.808 71 A HN -0.346 7.822 8.150 0.029 0.000 0.449 72 Y N -0.474 119.818 120.300 -0.014 0.000 2.220 72 Y HA -0.331 4.222 4.550 0.004 0.000 0.291 72 Y C 1.372 177.280 175.900 0.013 0.000 1.129 72 Y CA 3.672 61.772 58.100 0.000 0.000 1.161 72 Y CB 0.318 38.778 38.460 -0.001 0.000 0.997 72 Y HN -0.556 7.836 8.280 0.217 0.018 0.522 73 M N -1.909 117.732 119.600 0.067 0.000 2.159 73 M HA -0.453 4.034 4.480 0.012 0.000 0.263 73 M C 2.228 178.513 176.300 -0.025 0.000 1.063 73 M CA 3.897 59.214 55.300 0.028 0.000 1.110 73 M CB 0.156 32.816 32.600 0.100 0.000 1.374 73 M HN -0.695 7.688 8.290 0.154 0.000 0.411 74 G N -4.348 104.427 108.800 -0.043 0.000 2.471 74 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.219 74 G HA3 -0.195 3.743 3.960 -0.037 0.000 0.219 74 G C 0.074 174.938 174.900 -0.060 0.000 1.125 74 G CA 1.638 46.718 45.100 -0.034 0.000 0.775 74 G HN -0.276 7.990 8.290 -0.040 0.000 0.548 75 T N 1.675 116.155 114.554 -0.123 0.000 2.937 75 T HA -0.185 4.109 4.350 -0.094 0.000 0.260 75 T C 1.054 175.651 174.700 -0.172 0.000 1.051 75 T CA 2.765 64.778 62.100 -0.145 0.000 1.141 75 T CB 0.615 69.378 68.868 -0.176 0.000 0.879 75 T HN -0.583 7.406 8.240 -0.157 0.157 0.459 76 V N -5.225 114.539 119.914 -0.249 0.000 3.660 76 V HA 0.228 4.257 4.120 -0.152 0.000 0.276 76 V C -0.437 175.623 176.094 -0.057 0.000 1.317 76 V CA -0.009 62.175 62.300 -0.192 0.000 1.097 76 V CB 0.449 32.080 31.823 -0.321 0.000 0.863 76 V HN -0.802 7.205 8.190 -0.305 0.000 0.438 77 S N 0.228 115.918 115.700 -0.015 0.000 2.617 77 S HA 0.031 4.550 4.470 0.081 0.000 0.269 77 S C -0.106 174.506 174.600 0.020 0.000 1.292 77 S CA 0.226 58.460 58.200 0.058 0.000 1.010 77 S CB 1.215 64.502 63.200 0.145 0.000 0.944 77 S HN -0.703 7.587 8.310 -0.034 0.000 0.536 78 R N 1.283 121.795 120.500 0.020 0.000 2.397 78 R HA 0.166 4.488 4.340 -0.031 0.000 0.241 78 R C -0.143 176.130 176.300 -0.044 0.000 0.914 78 R CA -0.164 55.925 56.100 -0.018 0.000 1.071 78 R CB 1.157 31.448 30.300 -0.014 0.000 1.116 78 R HN 0.147 8.708 8.270 0.035 -0.270 0.524 79 G N -1.038 107.761 108.800 -0.002 0.000 2.849 79 G HA2 0.257 4.176 3.960 -0.067 0.000 0.174 79 G HA3 0.257 4.430 3.960 0.090 -0.159 0.174 79 G C -1.516 173.360 174.900 -0.040 0.000 1.370 79 G CA -0.794 44.307 45.100 0.002 0.000 1.040 79 G HN -0.697 7.619 8.290 0.042 0.000 0.582 80 F N 0.831 120.844 119.950 0.106 0.000 2.420 80 F HA 0.039 4.618 4.527 0.088 0.000 0.352 80 F C 0.286 176.204 175.800 0.196 0.000 1.108 80 F CA -0.183 57.893 58.000 0.127 0.000 1.162 80 F CB 1.094 40.167 39.000 0.121 0.000 1.118 80 F HN -0.544 8.069 8.300 0.522 0.000 0.510 81 L N 1.743 123.101 121.223 0.225 0.000 2.485 81 L HA 0.122 4.525 4.340 0.105 0.000 0.275 81 L C -1.785 175.099 176.870 0.024 0.000 1.207 81 L CA -1.657 53.247 54.840 0.107 0.000 0.855 81 L CB -1.218 40.864 42.059 0.037 0.000 1.114 81 L HN 0.111 8.438 8.230 0.162 0.000 0.485 82 P HA 0.084 4.260 4.420 -0.406 0.000 0.281 82 P C -1.357 175.825 177.300 -0.197 0.000 1.249 82 P CA -1.021 61.821 63.100 -0.430 0.000 0.810 82 P CB 1.128 32.314 31.700 -0.857 0.000 1.008 83 I N 1.496 121.977 120.570 -0.150 0.000 2.359 83 I HA 0.276 4.401 4.170 -0.075 0.000 0.294 83 I C -1.689 174.372 176.117 -0.095 0.000 0.987 83 I CA -4.405 56.841 61.300 -0.090 0.000 1.225 83 I CB -0.157 37.808 38.000 -0.059 0.000 1.366 83 I HN -0.368 7.964 8.210 -0.153 -0.214 0.466 84 P HA -0.285 4.094 4.420 -0.069 0.000 0.258 84 P C -0.271 176.997 177.300 -0.054 0.000 1.172 84 P CA 0.914 63.978 63.100 -0.061 0.000 0.762 84 P CB -0.329 31.346 31.700 -0.040 0.000 0.764 85 G N 4.430 113.196 108.800 -0.057 0.000 2.184 85 G HA2 -0.363 3.574 3.960 -0.040 0.000 0.206 85 G HA3 -0.363 3.576 3.960 -0.036 0.000 0.206 85 G C -0.515 174.359 174.900 -0.045 0.000 0.995 85 G CA -0.319 44.755 45.100 -0.044 0.000 0.651 85 G HN 0.077 8.328 8.290 -0.065 0.000 0.511 86 D N 2.130 122.492 120.400 -0.063 0.000 2.341 86 D HA 0.123 4.750 4.640 -0.022 0.000 0.245 86 D C -0.091 176.193 176.300 -0.027 0.000 1.106 86 D CA 0.298 54.274 54.000 -0.041 0.000 0.905 86 D CB 0.830 41.590 40.800 -0.066 0.000 1.202 86 D HN -0.512 7.808 8.370 -0.083 0.000 0.426 87 S N 2.663 118.379 115.700 0.026 0.000 2.592 87 S HA 0.345 4.908 4.470 -0.183 -0.203 0.271 87 S C -0.657 173.974 174.600 0.053 0.000 1.326 87 S CA 0.824 59.003 58.200 -0.035 0.000 1.024 87 S CB 1.132 64.403 63.200 0.118 0.000 0.921 87 S HN -0.018 8.332 8.310 0.067 0.000 0.527 88 C N 1.506 120.739 119.300 -0.113 0.000 2.802 88 C HA 0.945 5.786 4.460 0.251 -0.229 0.307 88 C C -2.238 172.760 174.990 0.013 0.000 1.222 88 C CA -2.995 56.076 59.018 0.088 0.000 1.580 88 C CB 3.567 31.412 27.740 0.175 0.000 2.119 88 C HN -0.058 7.920 8.230 -0.421 0.000 0.479 89 L N 5.904 127.168 121.223 0.068 0.000 2.529 89 L HA 0.650 5.201 4.340 0.035 -0.190 0.260 89 L C -1.982 174.865 176.870 -0.039 0.000 0.997 89 L CA -0.691 54.161 54.840 0.020 0.000 0.885 89 L CB 2.593 44.663 42.059 0.017 0.000 1.185 89 L HN -0.062 8.195 8.230 0.046 0.000 0.442 90 W N 8.235 129.423 121.300 -0.187 0.000 2.261 90 W HA 0.461 5.227 4.660 -0.152 -0.198 0.323 90 W C -1.892 174.497 176.519 -0.215 0.000 1.243 90 W CA -1.099 56.140 57.345 -0.177 0.000 1.210 90 W CB 2.493 31.864 29.460 -0.150 0.000 1.149 90 W HN -0.032 8.242 8.180 0.157 0.000 0.562 91 M N 5.564 124.845 119.600 -0.532 0.000 2.255 91 M HA 0.395 5.065 4.480 -0.073 -0.234 0.275 91 M C -2.447 173.647 176.300 -0.343 0.000 1.050 91 M CA -0.381 54.760 55.300 -0.265 0.000 0.978 91 M CB 4.424 36.932 32.600 -0.152 0.000 1.761 91 M HN -0.216 7.455 8.290 -1.032 0.000 0.479 92 E N 4.317 124.462 120.200 -0.091 0.000 2.207 92 E HA 0.801 5.266 4.350 -0.103 -0.177 0.270 92 E C -1.459 175.139 176.600 -0.004 0.000 0.927 92 E CA -2.535 53.843 56.400 -0.037 0.000 0.799 92 E CB 3.760 33.513 29.700 0.088 0.000 1.172 92 E HN -0.181 8.183 8.360 0.007 0.000 0.404 93 V N -3.083 116.839 119.914 0.014 0.000 3.206 93 V HA 0.744 5.032 4.120 0.038 -0.145 0.305 93 V C -2.500 173.659 176.094 0.109 0.000 1.257 93 V CA -2.602 59.722 62.300 0.041 0.000 1.057 93 V CB 3.769 35.600 31.823 0.015 0.000 1.075 93 V HN 0.108 8.313 8.190 0.025 0.000 0.443 94 S N -0.629 115.137 115.700 0.111 0.000 2.540 94 S HA 0.521 5.162 4.470 0.159 -0.076 0.275 94 S C -2.329 172.323 174.600 0.086 0.000 1.123 94 S CA -3.942 54.348 58.200 0.149 0.000 0.907 94 S CB 2.352 65.696 63.200 0.240 0.000 1.081 94 S HN -0.240 8.119 8.310 0.082 0.000 0.476 95 P HA -0.014 4.443 4.420 0.062 0.000 0.269 95 P C 0.761 178.102 177.300 0.068 0.000 1.211 95 P CA 0.364 63.501 63.100 0.062 0.000 0.781 95 P CB 0.910 32.633 31.700 0.039 0.000 0.877 96 G N -0.834 107.996 108.800 0.049 0.000 2.491 96 G HA2 -0.346 3.686 3.960 0.090 0.000 0.218 96 G HA3 -0.346 3.685 3.960 0.015 -0.063 0.218 96 G C 0.392 175.311 174.900 0.032 0.000 1.180 96 G CA 2.318 47.446 45.100 0.047 0.000 0.774 96 G HN 0.028 8.330 8.290 0.020 0.000 0.562 97 M N -2.371 117.261 119.600 0.053 0.000 2.853 97 M HA 0.229 4.727 4.480 0.029 0.000 0.274 97 M C -0.674 175.723 176.300 0.162 0.000 1.289 97 M CA -0.293 55.075 55.300 0.113 0.000 1.031 97 M CB -1.082 31.642 32.600 0.206 0.000 1.352 97 M HN -0.371 7.951 8.290 0.055 0.000 0.485 98 A N -0.474 122.385 122.820 0.066 0.000 2.308 98 A HA 0.263 4.638 4.320 0.091 0.000 0.217 98 A C 0.307 177.898 177.584 0.012 0.000 1.216 98 A CA 0.857 52.930 52.037 0.060 0.000 0.864 98 A CB 0.055 19.080 19.000 0.041 0.000 0.902 98 A HN -0.233 7.863 8.150 0.041 0.078 0.499 99 V N -1.295 118.574 119.914 -0.074 0.000 3.305 99 V HA -0.435 3.623 4.120 -0.104 0.000 0.269 99 V C -0.230 175.755 176.094 -0.182 0.000 1.157 99 V CA 0.795 63.002 62.300 -0.154 0.000 1.157 99 V CB 0.069 31.754 31.823 -0.230 0.000 0.772 99 V HN -0.481 7.593 8.190 -0.092 0.060 0.498 100 H N -0.807 118.246 119.070 -0.029 0.000 2.428 100 H HA -0.087 4.450 4.556 -0.031 0.000 0.296 100 H C 1.975 177.288 175.328 -0.024 0.000 1.062 100 H CA 3.822 59.854 56.048 -0.026 0.000 1.350 100 H CB -0.114 29.637 29.762 -0.018 0.000 1.403 100 H HN -0.074 8.150 8.280 0.018 0.067 0.533 101 R N -0.261 120.292 120.500 0.088 0.000 2.100 101 R HA -0.067 4.300 4.340 0.044 0.000 0.220 101 R C 1.775 178.080 176.300 0.008 0.000 1.091 101 R CA 1.605 57.730 56.100 0.041 0.000 0.986 101 R CB -0.754 29.566 30.300 0.032 0.000 0.888 101 R HN -0.725 7.597 8.270 0.087 0.000 0.444 102 V N -0.777 119.130 119.914 -0.011 0.000 2.427 102 V HA -0.459 3.650 4.120 -0.019 0.000 0.248 102 V C 1.651 177.719 176.094 -0.043 0.000 1.051 102 V CA 3.904 66.186 62.300 -0.029 0.000 1.048 102 V CB -0.292 31.504 31.823 -0.045 0.000 0.666 102 V HN -0.574 7.608 8.190 -0.013 0.000 0.456 103 T N 2.040 116.562 114.554 -0.055 0.000 2.732 103 T HA -0.391 3.913 4.350 -0.077 0.000 0.261 103 T C 1.283 175.967 174.700 -0.026 0.000 1.040 103 T CA 5.230 67.294 62.100 -0.060 0.000 1.145 103 T CB -0.209 68.615 68.868 -0.073 0.000 0.866 103 T HN -0.443 7.763 8.240 -0.056 0.000 0.427 104 D N 1.394 121.793 120.400 -0.001 0.000 2.158 104 D HA -0.270 4.376 4.640 0.009 0.000 0.197 104 D C 2.184 178.482 176.300 -0.003 0.000 0.995 104 D CA 3.217 57.222 54.000 0.007 0.000 0.846 104 D CB -0.043 40.770 40.800 0.021 0.000 0.941 104 D HN -0.654 7.722 8.370 0.010 0.000 0.456 105 I N -1.618 118.947 120.570 -0.009 0.000 2.406 105 I HA -0.380 3.784 4.170 -0.010 0.000 0.249 105 I C 1.452 177.557 176.117 -0.019 0.000 1.122 105 I CA 3.074 64.366 61.300 -0.013 0.000 1.431 105 I CB -0.005 37.985 38.000 -0.017 0.000 1.087 105 I HN -0.664 7.521 8.210 -0.010 0.018 0.424 106 A N -0.712 122.093 122.820 -0.025 0.000 1.969 106 A HA -0.193 4.112 4.320 -0.026 0.000 0.218 106 A C 1.173 178.743 177.584 -0.024 0.000 1.169 106 A CA 2.587 54.607 52.037 -0.028 0.000 0.635 106 A CB -0.179 18.796 19.000 -0.042 0.000 0.810 106 A HN -0.700 7.433 8.150 -0.028 0.000 0.445 107 L N -4.793 116.415 121.223 -0.025 0.000 2.127 107 L HA -0.123 4.197 4.340 -0.034 0.000 0.203 107 L C 2.544 179.404 176.870 -0.016 0.000 1.080 107 L CA 1.765 56.590 54.840 -0.026 0.000 0.768 107 L CB 0.029 42.075 42.059 -0.022 0.000 0.924 107 L HN -0.530 7.667 8.230 -0.024 0.018 0.444 108 K N -1.690 118.705 120.400 -0.008 0.000 2.209 108 K HA -0.204 4.114 4.320 -0.003 0.000 0.204 108 K C 1.055 177.660 176.600 0.008 0.000 1.048 108 K CA 2.049 58.335 56.287 -0.001 0.000 0.940 108 K CB -0.454 32.046 32.500 0.000 0.000 0.729 108 K HN -0.555 7.691 8.250 -0.008 0.000 0.451 109 A N -3.528 119.302 122.820 0.016 0.000 2.465 109 A HA 0.195 4.552 4.320 0.062 0.000 0.255 109 A C -1.225 176.423 177.584 0.108 0.000 1.274 109 A CA -0.411 51.660 52.037 0.056 0.000 0.920 109 A CB 0.499 19.514 19.000 0.026 0.000 1.033 109 A HN -0.511 7.605 8.150 0.007 0.037 0.516 110 S N -2.354 113.366 115.700 0.033 0.000 2.615 110 S HA 0.084 4.544 4.470 -0.016 0.000 0.268 110 S C -1.510 173.041 174.600 -0.081 0.000 1.146 110 S CA -1.343 56.850 58.200 -0.012 0.000 0.818 110 S CB 0.934 64.138 63.200 0.008 0.000 1.111 110 S HN -0.822 7.436 8.310 0.007 0.056 0.465 111 N N 1.293 119.892 118.700 -0.169 0.000 2.314 111 N HA 0.166 4.854 4.740 -0.086 0.000 0.200 111 N C 0.166 175.581 175.510 -0.158 0.000 1.135 111 N CA -0.005 52.953 53.050 -0.154 0.000 0.835 111 N CB -0.059 38.350 38.487 -0.131 0.000 0.989 111 N HN 0.157 8.397 8.380 -0.233 0.000 0.478 112 V N -4.444 115.363 119.914 -0.178 0.000 2.963 112 V HA -0.144 4.092 4.120 0.035 -0.095 0.306 112 V C -0.410 175.666 176.094 -0.030 0.000 1.077 112 V CA 0.104 62.370 62.300 -0.056 0.000 1.124 112 V CB 0.682 32.478 31.823 -0.046 0.000 0.987 112 V HN -0.502 7.505 8.190 -0.175 0.078 0.487 113 R N 1.815 122.317 120.500 0.003 0.000 2.474 113 R HA 0.313 4.547 4.340 -0.178 0.000 0.295 113 R C -1.122 175.155 176.300 -0.039 0.000 0.980 113 R CA -3.152 52.887 56.100 -0.102 0.000 0.934 113 R CB 1.709 31.895 30.300 -0.190 0.000 1.101 113 R HN -0.346 7.976 8.270 0.086 0.000 0.469 114 L N 3.830 125.056 121.223 0.004 0.000 2.448 114 L HA 0.112 4.403 4.340 -0.081 0.000 0.278 114 L C 0.878 177.807 176.870 0.099 0.000 1.201 114 L CA -0.339 54.513 54.840 0.021 0.000 1.036 114 L CB -0.056 42.039 42.059 0.060 0.000 1.325 114 L HN 0.544 8.771 8.230 -0.005 0.000 0.441 115 G N 5.490 114.212 108.800 -0.130 0.000 2.443 115 G HA2 -0.265 4.139 3.960 0.317 0.000 0.219 115 G HA3 -0.265 3.322 3.960 -0.621 0.000 0.219 115 G C -1.626 173.282 174.900 0.012 0.000 1.131 115 G CA 1.342 46.407 45.100 -0.060 0.000 0.775 115 G HN 0.342 8.427 8.290 -0.342 0.000 0.547 116 Q N -2.203 117.520 119.800 -0.127 0.000 2.438 116 Q HA 0.184 4.511 4.340 -0.022 0.000 0.272 116 Q C -2.202 173.696 176.000 -0.171 0.000 0.994 116 Q CA 0.018 55.769 55.803 -0.087 0.000 0.887 116 Q CB 3.124 31.841 28.738 -0.034 0.000 1.432 116 Q HN -0.749 7.369 8.270 -0.212 0.024 0.392 117 M N 5.809 125.334 119.600 -0.126 0.000 2.294 117 M HA 0.568 5.088 4.480 -0.234 -0.181 0.280 117 M C -2.597 173.635 176.300 -0.113 0.000 1.085 117 M CA 0.091 55.292 55.300 -0.165 0.000 0.969 117 M CB 3.365 35.880 32.600 -0.142 0.000 1.770 117 M HN 0.094 8.337 8.290 -0.078 0.000 0.485 118 I N 3.797 124.290 120.570 -0.127 0.000 2.785 118 I HA 0.388 4.531 4.170 -0.045 0.000 0.293 118 I C -3.076 173.008 176.117 -0.055 0.000 1.446 118 I CA -0.339 60.926 61.300 -0.059 0.000 1.028 118 I CB 4.394 42.392 38.000 -0.003 0.000 1.349 118 I HN 0.227 8.334 8.210 -0.172 0.000 0.438 119 V N 6.870 126.770 119.914 -0.022 0.000 2.275 119 V HA 0.262 4.374 4.120 -0.013 0.000 0.272 119 V C -0.958 175.147 176.094 0.018 0.000 1.028 119 V CA -0.987 61.310 62.300 -0.005 0.000 0.810 119 V CB 0.127 31.956 31.823 0.010 0.000 1.043 119 V HN 0.124 8.309 8.190 -0.008 0.000 0.453 120 E N 6.310 126.536 120.200 0.044 0.000 2.442 120 E HA -0.153 4.226 4.350 0.047 0.000 0.260 120 E C -0.421 176.161 176.600 -0.030 0.000 1.148 120 E CA 0.229 56.655 56.400 0.044 0.000 0.976 120 E CB 1.279 31.055 29.700 0.128 0.000 0.967 120 E HN -0.495 7.905 8.360 0.067 0.000 0.454 121 R N 0.782 121.249 120.500 -0.055 0.000 2.159 121 R HA -0.307 3.993 4.340 -0.067 0.000 0.252 121 R C -0.425 175.762 176.300 -0.189 0.000 1.144 121 R CA 2.628 58.667 56.100 -0.101 0.000 0.961 121 R CB -0.163 30.078 30.300 -0.098 0.000 0.877 121 R HN 0.394 8.649 8.270 -0.026 0.000 0.444 122 A N -4.766 117.826 122.820 -0.379 0.000 2.066 122 A HA 0.132 4.248 4.320 -0.340 0.000 0.198 122 A C -1.415 175.868 177.584 -0.501 0.000 1.405 122 A CA 0.782 52.482 52.037 -0.561 0.000 0.973 122 A CB 1.197 19.635 19.000 -0.936 0.000 1.026 122 A HN -0.296 7.585 8.150 -0.434 0.008 0.474 123 F N -3.100 116.855 119.950 0.009 0.000 2.544 123 F HA 0.564 5.093 4.527 0.004 0.000 0.378 123 F C 0.124 175.922 175.800 -0.004 0.000 1.112 123 F CA -2.378 55.626 58.000 0.007 0.000 1.115 123 F CB 2.693 41.705 39.000 0.020 0.000 1.436 123 F HN -0.711 7.327 8.300 -0.437 0.000 0.496 124 G N -2.949 105.971 108.800 0.200 0.000 2.761 124 G HA2 0.321 4.432 3.960 0.042 0.000 0.296 124 G HA3 0.321 4.493 3.960 -0.006 -0.215 0.296 124 G C -2.722 172.149 174.900 -0.048 0.000 1.416 124 G CA 0.414 45.538 45.100 0.041 0.000 1.105 124 G HN -0.426 8.005 8.290 0.235 0.000 0.565 125 S N 3.186 118.799 115.700 -0.144 0.000 2.671 125 S HA 1.152 5.587 4.470 -0.400 -0.205 0.299 125 S C -1.407 172.840 174.600 -0.589 0.000 1.116 125 S CA -1.797 56.155 58.200 -0.412 0.000 0.912 125 S CB 3.997 66.943 63.200 -0.423 0.000 1.130 125 S HN -0.126 8.114 8.310 -0.116 0.000 0.501 126 L N -6.283 114.411 121.223 -0.881 0.000 2.502 126 L HA 0.893 5.026 4.340 -0.591 -0.148 0.253 126 L C -2.606 173.765 176.870 -0.833 0.000 1.070 126 L CA -1.504 52.921 54.840 -0.693 0.000 0.871 126 L CB 4.521 46.333 42.059 -0.413 0.000 1.487 126 L HN -0.032 7.552 8.230 -1.076 0.000 0.408 127 A N -2.822 119.683 122.820 -0.524 0.000 2.459 127 A HA 0.571 4.872 4.320 -0.342 -0.186 0.296 127 A C -2.372 174.888 177.584 -0.540 0.000 1.039 127 A CA -0.935 50.843 52.037 -0.431 0.000 0.698 127 A CB 3.154 22.008 19.000 -0.245 0.000 1.261 127 A HN -0.066 7.821 8.150 -0.438 0.000 0.405 128 L N 2.534 123.514 121.223 -0.404 0.000 2.307 128 L HA 0.618 4.910 4.340 -0.338 -0.154 0.284 128 L C -0.976 175.767 176.870 -0.210 0.000 1.023 128 L CA -1.318 53.340 54.840 -0.303 0.000 0.810 128 L CB 1.884 43.875 42.059 -0.114 0.000 1.231 128 L HN -0.260 7.805 8.230 -0.275 0.000 0.423 129 Y N 0.873 121.223 120.300 0.083 0.000 2.468 129 Y HA 1.001 5.819 4.550 0.090 -0.214 0.342 129 Y C -0.557 175.448 175.900 0.175 0.000 1.021 129 Y CA -3.201 54.959 58.100 0.100 0.000 1.079 129 Y CB 2.889 41.398 38.460 0.083 0.000 1.226 129 Y HN -0.235 8.004 8.280 -0.069 0.000 0.460 130 H N 0.456 119.647 119.070 0.201 0.000 3.057 130 H HA 0.170 4.782 4.556 0.094 0.000 0.308 130 H C -1.560 173.822 175.328 0.090 0.000 1.276 130 H CA 0.584 56.700 56.048 0.113 0.000 1.325 130 H CB 3.917 33.734 29.762 0.092 0.000 1.963 130 H HN 0.029 8.501 8.280 0.320 0.000 0.524 131 K N 2.780 122.993 120.400 -0.312 0.000 2.103 131 K HA -0.215 4.067 4.320 -0.063 0.000 0.204 131 K C -0.563 176.048 176.600 0.018 0.000 1.052 131 K CA 1.654 57.859 56.287 -0.137 0.000 0.945 131 K CB 0.227 32.608 32.500 -0.197 0.000 0.722 131 K HN 0.346 8.147 8.250 -0.748 0.000 0.443 132 D N 0.944 121.429 120.400 0.142 0.000 2.317 132 D HA 0.082 4.812 4.640 0.150 0.000 0.252 132 D C 0.483 176.949 176.300 0.277 0.000 1.174 132 D CA -0.135 54.010 54.000 0.241 0.000 0.866 132 D CB 0.511 41.491 40.800 0.300 0.000 1.127 132 D HN -0.710 7.740 8.370 0.132 0.000 0.467 133 Q N 5.109 125.042 119.800 0.220 0.000 2.050 133 Q HA -0.387 4.189 4.340 0.393 0.000 0.202 133 Q C 1.965 178.080 176.000 0.192 0.000 0.980 133 Q CA 4.024 60.000 55.803 0.287 0.000 0.840 133 Q CB 0.030 28.939 28.738 0.285 0.000 0.898 133 Q HN 0.563 8.941 8.270 0.180 0.000 0.424 134 S N -2.638 113.134 115.700 0.120 0.000 2.400 134 S HA -0.271 4.224 4.470 0.041 0.000 0.232 134 S C 2.090 176.734 174.600 0.073 0.000 1.025 134 S CA 2.770 61.010 58.200 0.066 0.000 0.993 134 S CB -0.535 62.690 63.200 0.042 0.000 0.808 134 S HN 0.115 8.496 8.310 0.118 0.000 0.478 135 T N 5.189 119.791 114.554 0.080 0.000 2.737 135 T HA -0.303 4.018 4.350 -0.048 0.000 0.265 135 T C 1.660 176.384 174.700 0.041 0.000 1.038 135 T CA 4.398 66.490 62.100 -0.013 0.000 1.144 135 T CB -0.098 68.644 68.868 -0.209 0.000 0.866 135 T HN -0.897 7.396 8.240 0.125 0.021 0.434 136 V N 2.198 122.190 119.914 0.130 0.000 2.295 136 V HA -0.498 3.694 4.120 0.119 0.000 0.246 136 V C 1.757 177.926 176.094 0.126 0.000 1.049 136 V CA 4.449 66.853 62.300 0.174 0.000 1.024 136 V CB -0.105 31.932 31.823 0.356 0.000 0.648 136 V HN -0.811 7.494 8.190 0.192 0.000 0.447 137 L N -2.965 118.299 121.223 0.068 0.000 2.131 137 L HA -0.409 3.886 4.340 -0.074 0.000 0.210 137 L C 2.031 178.917 176.870 0.027 0.000 1.092 137 L CA 2.793 57.604 54.840 -0.048 0.000 0.759 137 L CB -0.574 41.369 42.059 -0.193 0.000 0.903 137 L HN -0.453 7.823 8.230 0.077 0.000 0.435 138 H N -0.082 118.973 119.070 -0.025 0.000 2.387 138 H HA -0.270 4.273 4.556 -0.021 0.000 0.299 138 H C 2.042 177.362 175.328 -0.013 0.000 1.090 138 H CA 3.310 59.345 56.048 -0.023 0.000 1.332 138 H CB 0.020 29.763 29.762 -0.032 0.000 1.386 138 H HN -0.363 8.003 8.280 0.169 0.016 0.516 139 S N -0.237 115.482 115.700 0.031 0.000 2.368 139 S HA -0.320 4.126 4.470 -0.039 0.000 0.225 139 S C 2.222 176.803 174.600 -0.032 0.000 1.030 139 S CA 3.804 61.993 58.200 -0.018 0.000 0.999 139 S CB -0.730 62.476 63.200 0.010 0.000 0.844 139 S HN -0.606 7.761 8.310 0.094 0.000 0.459 140 G N 0.512 109.327 108.800 0.026 0.000 2.432 140 G HA2 -0.286 3.769 3.960 0.158 0.000 0.219 140 G HA3 -0.286 3.809 3.960 0.224 0.000 0.219 140 G C 0.757 175.693 174.900 0.060 0.000 1.135 140 G CA 1.882 47.060 45.100 0.130 0.000 0.767 140 G HN -0.564 7.748 8.290 0.036 0.000 0.550 141 D N 2.406 122.779 120.400 -0.046 0.000 2.117 141 D HA -0.216 4.382 4.640 -0.070 0.000 0.197 141 D C 2.400 178.620 176.300 -0.133 0.000 0.987 141 D CA 3.182 57.120 54.000 -0.104 0.000 0.829 141 D CB -0.393 40.313 40.800 -0.157 0.000 0.961 141 D HN -0.544 7.676 8.370 -0.071 0.107 0.460 142 V N -0.711 119.088 119.914 -0.191 0.000 2.307 142 V HA -0.425 3.606 4.120 -0.148 0.000 0.245 142 V C 1.852 177.898 176.094 -0.081 0.000 1.045 142 V CA 3.978 66.186 62.300 -0.154 0.000 1.024 142 V CB 0.099 31.816 31.823 -0.177 0.000 0.651 142 V HN -0.774 7.269 8.190 -0.245 0.000 0.449 143 V N -3.158 116.724 119.914 -0.053 0.000 2.490 143 V HA -0.480 3.623 4.120 -0.027 0.000 0.250 143 V C 1.440 177.517 176.094 -0.028 0.000 1.061 143 V CA 3.672 65.958 62.300 -0.024 0.000 1.064 143 V CB -0.402 31.425 31.823 0.006 0.000 0.670 143 V HN -0.728 7.432 8.190 -0.051 0.000 0.461 144 L N -0.510 120.687 121.223 -0.043 0.000 2.109 144 L HA -0.366 3.929 4.340 -0.075 0.000 0.207 144 L C 1.779 178.610 176.870 -0.065 0.000 1.086 144 L CA 2.919 57.714 54.840 -0.075 0.000 0.760 144 L CB -0.493 41.492 42.059 -0.123 0.000 0.910 144 L HN -0.810 7.378 8.230 -0.042 0.017 0.437 145 D N -1.466 118.897 120.400 -0.062 0.000 2.178 145 D HA -0.216 4.393 4.640 -0.051 0.000 0.202 145 D C 1.642 177.918 176.300 -0.040 0.000 0.974 145 D CA 2.819 56.788 54.000 -0.052 0.000 0.841 145 D CB -0.582 40.185 40.800 -0.055 0.000 0.953 145 D HN -0.643 7.687 8.370 -0.067 0.000 0.478 146 A N -0.990 121.808 122.820 -0.037 0.000 1.872 146 A HA -0.099 4.207 4.320 -0.024 0.000 0.214 146 A C 1.588 179.159 177.584 -0.022 0.000 1.187 146 A CA 2.382 54.404 52.037 -0.026 0.000 0.614 146 A CB 0.095 19.081 19.000 -0.023 0.000 0.826 146 A HN -0.616 7.489 8.150 -0.040 0.021 0.442 147 I N -8.823 111.733 120.570 -0.024 0.000 3.428 147 I HA 0.099 4.261 4.170 -0.013 0.000 0.286 147 I C 0.007 176.110 176.117 -0.023 0.000 1.287 147 I CA -0.251 61.038 61.300 -0.019 0.000 1.396 147 I CB 0.220 38.210 38.000 -0.016 0.000 1.062 147 I HN -0.844 7.350 8.210 -0.028 0.000 0.471 148 G N -0.155 108.627 108.800 -0.030 0.000 2.462 148 G HA2 -0.482 3.458 3.960 -0.034 0.000 0.283 148 G HA3 -0.482 3.463 3.960 -0.025 0.000 0.283 148 G C -1.486 173.390 174.900 -0.038 0.000 1.043 148 G CA 0.386 45.467 45.100 -0.031 0.000 1.300 148 G HN -0.546 7.669 8.290 -0.033 0.055 0.518 149 S N 0.242 115.909 115.700 -0.055 0.000 2.636 149 S HA 0.171 4.605 4.470 -0.060 0.000 0.266 149 S C -2.933 171.604 174.600 -0.105 0.000 1.147 149 S CA -1.030 57.126 58.200 -0.072 0.000 0.815 149 S CB 1.346 64.502 63.200 -0.074 0.000 1.119 149 S HN -0.412 7.861 8.310 -0.060 0.000 0.470 150 E N -0.692 119.431 120.200 -0.128 0.000 2.446 150 E HA 0.352 4.586 4.350 -0.194 0.000 0.269 150 E C 0.686 177.148 176.600 -0.231 0.000 0.977 150 E CA -1.031 55.269 56.400 -0.167 0.000 0.854 150 E CB 1.172 30.809 29.700 -0.105 0.000 1.545 150 E HN -0.095 8.197 8.360 -0.113 0.000 0.448 151 V N -0.159 119.609 119.914 -0.243 0.000 2.469 151 V HA -0.408 3.424 4.120 -0.479 0.000 0.251 151 V C 1.336 177.372 176.094 -0.098 0.000 1.064 151 V CA 3.028 65.177 62.300 -0.251 0.000 1.066 151 V CB 0.023 31.781 31.823 -0.108 0.000 0.667 151 V HN 0.320 8.394 8.190 -0.195 0.000 0.461 152 R N -4.025 116.439 120.500 -0.061 0.000 2.334 152 R HA -0.078 4.266 4.340 0.008 0.000 0.220 152 R C 0.034 176.325 176.300 -0.016 0.000 0.917 152 R CA 0.395 56.485 56.100 -0.016 0.000 1.073 152 R CB -0.513 29.779 30.300 -0.012 0.000 1.056 152 R HN -0.167 8.421 8.270 -0.072 -0.360 0.506 153 K N -1.405 118.974 120.400 -0.035 0.000 2.577 153 K HA 0.018 4.331 4.320 -0.012 0.000 0.210 153 K C -0.263 176.339 176.600 0.003 0.000 1.048 153 K CA -0.453 55.821 56.287 -0.022 0.000 1.188 153 K CB -0.561 31.915 32.500 -0.038 0.000 0.910 153 K HN -0.752 7.396 8.250 -0.065 0.064 0.483 154 R N -2.240 118.281 120.500 0.036 0.000 2.643 154 R HA 0.466 5.032 4.340 0.091 -0.171 0.272 154 R C 0.166 176.524 176.300 0.096 0.000 0.995 154 R CA -2.086 54.075 56.100 0.102 0.000 1.032 154 R CB 1.751 32.175 30.300 0.206 0.000 1.126 154 R HN -0.803 7.407 8.270 0.035 0.081 0.505 155 T N 4.782 119.411 114.554 0.125 0.000 2.743 155 T HA -0.075 4.292 4.350 0.028 0.000 0.290 155 T C -0.022 174.675 174.700 -0.005 0.000 0.908 155 T CA 0.816 62.955 62.100 0.065 0.000 1.092 155 T CB -0.121 68.785 68.868 0.063 0.000 0.882 155 T HN -0.079 8.257 8.240 0.159 0.000 0.531 156 K N 7.668 128.018 120.400 -0.084 0.000 2.414 156 K HA -0.034 4.105 4.320 -0.301 0.000 0.272 156 K C -1.588 174.819 176.600 -0.322 0.000 0.993 156 K CA -1.114 55.041 56.287 -0.218 0.000 0.964 156 K CB -0.758 31.670 32.500 -0.119 0.000 0.925 156 K HN 0.098 8.319 8.250 -0.049 0.000 0.487 157 P HA -0.129 4.037 4.420 -0.424 0.000 0.266 157 P C -1.214 175.988 177.300 -0.163 0.000 1.215 157 P CA -0.017 62.833 63.100 -0.417 0.000 0.763 157 P CB 0.379 31.811 31.700 -0.445 0.000 0.806 158 S N 5.471 121.123 115.700 -0.079 0.000 2.512 158 S HA 0.194 4.651 4.470 -0.021 0.000 0.291 158 S C -0.344 174.279 174.600 0.039 0.000 1.151 158 S CA -2.064 56.129 58.200 -0.012 0.000 1.120 158 S CB 0.324 63.530 63.200 0.010 0.000 1.029 158 S HN 0.178 8.446 8.310 -0.070 0.000 0.485 159 T N 10.091 124.664 114.554 0.032 0.000 2.793 159 T HA -0.137 4.373 4.350 0.076 -0.114 0.289 159 T C 0.288 175.046 174.700 0.097 0.000 0.956 159 T CA 1.469 63.605 62.100 0.061 0.000 1.177 159 T CB 0.180 69.067 68.868 0.032 0.000 0.897 159 T HN 0.486 8.731 8.240 0.010 0.000 0.533 160 S N 6.045 121.837 115.700 0.153 0.000 2.517 160 S HA 0.092 4.662 4.470 0.167 0.000 0.214 160 S C -0.625 174.148 174.600 0.288 0.000 0.991 160 S CA 0.540 58.854 58.200 0.191 0.000 0.906 160 S CB 1.211 64.538 63.200 0.211 0.000 0.789 160 S HN 0.380 8.790 8.310 0.167 0.000 0.513 161 W N 0.718 122.007 121.300 -0.018 0.000 3.901 161 W HA 0.085 4.724 4.660 -0.035 0.000 0.274 161 W C -2.956 173.528 176.519 -0.059 0.000 1.278 161 W CA 0.531 57.849 57.345 -0.046 0.000 1.235 161 W CB 3.272 32.685 29.460 -0.078 0.000 1.261 161 W HN -0.701 7.600 8.180 0.201 0.000 0.546 162 T N 6.841 120.892 114.554 -0.838 0.000 3.291 162 T HA 0.521 4.753 4.350 -0.539 -0.206 0.344 162 T C -1.943 172.312 174.700 -0.741 0.000 1.293 162 T CA -0.489 61.244 62.100 -0.611 0.000 1.108 162 T CB 2.139 70.873 68.868 -0.223 0.000 1.231 162 T HN -0.105 7.383 8.240 -1.252 0.000 0.474 163 E N 5.037 124.938 120.200 -0.498 0.000 2.435 163 E HA 0.279 4.495 4.350 -0.224 0.000 0.277 163 E C -2.450 174.125 176.600 -0.041 0.000 1.106 163 E CA -0.840 55.389 56.400 -0.285 0.000 0.868 163 E CB 2.544 32.020 29.700 -0.373 0.000 1.454 163 E HN 0.109 8.193 8.360 -0.461 0.000 0.452 164 V N 0.139 120.061 119.914 0.014 0.000 2.569 164 V HA 0.469 4.811 4.120 0.110 -0.157 0.301 164 V C -0.968 175.140 176.094 0.023 0.000 1.044 164 V CA -0.915 61.430 62.300 0.075 0.000 0.874 164 V CB 2.106 33.988 31.823 0.100 0.000 1.002 164 V HN 0.270 8.447 8.190 -0.022 0.000 0.424 165 I N 7.796 128.371 120.570 0.009 0.000 2.312 165 I HA 0.230 4.390 4.170 -0.016 0.000 0.290 165 I C -0.886 175.210 176.117 -0.035 0.000 1.008 165 I CA -0.979 60.306 61.300 -0.026 0.000 1.226 165 I CB 0.978 38.931 38.000 -0.078 0.000 1.371 165 I HN -0.009 8.210 8.210 0.015 0.000 0.468 166 C N 7.840 127.124 119.300 -0.026 0.000 2.539 166 C HA -0.082 4.366 4.460 -0.020 0.000 0.392 166 C C 0.192 175.162 174.990 -0.034 0.000 1.269 166 C CA 0.105 59.109 59.018 -0.023 0.000 2.250 166 C CB 1.207 28.938 27.740 -0.015 0.000 2.584 166 C HN 0.620 8.837 8.230 -0.021 0.000 0.589 167 A N 3.088 125.891 122.820 -0.028 0.000 2.251 167 A HA -0.383 4.006 4.320 -0.021 -0.082 0.283 167 A C -0.522 177.036 177.584 -0.043 0.000 1.415 167 A CA 0.425 52.447 52.037 -0.026 0.000 0.742 167 A CB -1.382 17.608 19.000 -0.016 0.000 1.151 167 A HN 0.542 8.678 8.150 -0.023 0.000 0.354 168 I N 0.254 120.786 120.570 -0.063 0.000 2.662 168 I HA -0.087 3.982 4.170 -0.167 0.000 0.285 168 I C 1.085 177.183 176.117 -0.031 0.000 1.161 168 I CA -0.148 61.089 61.300 -0.105 0.000 1.415 168 I CB -0.537 37.389 38.000 -0.123 0.000 1.385 168 I HN -0.405 7.771 8.210 -0.056 0.000 0.552 169 T N 6.020 120.571 114.554 -0.005 0.000 2.791 169 T HA 0.064 4.428 4.350 0.023 0.000 0.323 169 T C -0.384 174.353 174.700 0.061 0.000 1.082 169 T CA -1.560 60.563 62.100 0.038 0.000 1.084 169 T CB -0.217 68.688 68.868 0.062 0.000 0.992 169 T HN -0.027 8.199 8.240 -0.023 0.000 0.547 170 P HA -0.187 4.257 4.420 0.039 0.000 0.216 170 P C 1.155 178.487 177.300 0.053 0.000 1.153 170 P CA 2.720 65.845 63.100 0.042 0.000 0.848 170 P CB -0.070 31.647 31.700 0.028 0.000 0.787 171 D N -3.870 116.564 120.400 0.057 0.000 2.117 171 D HA -0.211 4.446 4.640 0.028 0.000 0.198 171 D C 2.186 178.523 176.300 0.061 0.000 0.982 171 D CA 3.211 57.238 54.000 0.044 0.000 0.828 171 D CB -0.723 40.096 40.800 0.032 0.000 0.967 171 D HN 0.421 8.824 8.370 0.055 0.000 0.464 172 H N 0.453 119.525 119.070 0.003 0.000 2.421 172 H HA -0.255 4.301 4.556 0.000 0.000 0.298 172 H C 1.665 176.995 175.328 0.004 0.000 1.087 172 H CA 3.090 59.140 56.048 0.003 0.000 1.330 172 H CB 0.415 30.181 29.762 0.006 0.000 1.388 172 H HN -0.765 7.634 8.280 0.198 0.000 0.526 173 A N -0.887 122.047 122.820 0.189 0.000 1.840 173 A HA -0.231 4.184 4.320 0.159 0.000 0.214 173 A C 1.738 179.366 177.584 0.073 0.000 1.198 173 A CA 3.139 55.252 52.037 0.126 0.000 0.608 173 A CB -0.263 18.782 19.000 0.075 0.000 0.839 173 A HN -0.655 7.567 8.150 0.156 0.022 0.443 174 V N -1.581 118.362 119.914 0.048 0.000 2.720 174 V HA -0.468 3.668 4.120 0.027 0.000 0.256 174 V C 1.783 177.885 176.094 0.013 0.000 1.082 174 V CA 3.529 65.845 62.300 0.027 0.000 1.101 174 V CB -0.345 31.489 31.823 0.019 0.000 0.693 174 V HN -0.702 7.518 8.190 0.050 0.000 0.479 175 L N -0.613 120.610 121.223 -0.000 0.000 2.072 175 L HA -0.218 4.104 4.340 -0.030 0.000 0.205 175 L C 2.369 179.224 176.870 -0.025 0.000 1.079 175 L CA 3.054 57.874 54.840 -0.035 0.000 0.752 175 L CB -0.866 41.135 42.059 -0.097 0.000 0.906 175 L HN -0.702 7.498 8.230 0.007 0.035 0.436 176 I N -1.448 119.122 120.570 -0.000 0.000 2.454 176 I HA -0.490 3.681 4.170 0.002 0.000 0.254 176 I C 2.076 178.208 176.117 0.025 0.000 1.156 176 I CA 3.163 64.475 61.300 0.021 0.000 1.433 176 I CB -0.485 37.557 38.000 0.070 0.000 1.082 176 I HN -0.733 7.489 8.210 0.020 0.000 0.432 177 N N -0.571 118.145 118.700 0.026 0.000 2.270 177 N HA -0.150 4.609 4.740 0.032 0.000 0.181 177 N C 0.991 176.513 175.510 0.021 0.000 1.016 177 N CA 2.435 55.501 53.050 0.027 0.000 0.870 177 N CB -0.094 38.408 38.487 0.026 0.000 0.979 177 N HN -0.465 7.801 8.380 0.026 0.130 0.431 178 R N -1.321 119.186 120.500 0.011 0.000 2.752 178 R HA 0.135 4.482 4.340 0.011 0.000 0.279 178 R C -0.253 176.050 176.300 0.005 0.000 1.212 178 R CA -0.378 55.727 56.100 0.007 0.000 1.169 178 R CB -0.816 29.485 30.300 0.000 0.000 1.286 178 R HN -0.828 7.446 8.270 0.007 0.000 0.564 179 Q N 0.592 120.398 119.800 0.011 0.000 2.819 179 Q HA 0.175 4.517 4.340 0.003 0.000 0.392 179 Q C -1.454 174.561 176.000 0.025 0.000 1.088 179 Q CA -1.467 54.342 55.803 0.011 0.000 1.062 179 Q CB -0.721 28.020 28.738 0.006 0.000 1.369 179 Q HN -0.586 7.604 8.270 0.017 0.090 0.434 180 N N -1.056 117.658 118.700 0.024 0.000 2.669 180 N HA -0.446 4.310 4.740 0.027 0.000 0.266 180 N C -1.379 174.161 175.510 0.050 0.000 1.024 180 N CA 0.764 53.833 53.050 0.032 0.000 0.766 180 N CB -0.603 37.902 38.487 0.031 0.000 0.898 180 N HN 0.107 8.498 8.380 0.018 0.000 0.548 181 R N 0.939 121.471 120.500 0.053 0.000 2.221 181 R HA 0.048 4.609 4.340 0.096 -0.163 0.327 181 R C -0.251 176.105 176.300 0.093 0.000 1.033 181 R CA 0.079 56.226 56.100 0.079 0.000 0.887 181 R CB 0.979 31.317 30.300 0.063 0.000 1.057 181 R HN 0.027 8.323 8.270 0.043 0.000 0.455 182 S N 6.968 122.760 115.700 0.154 0.000 2.539 182 S HA 0.185 4.693 4.470 0.064 0.000 0.221 182 S C -0.537 174.220 174.600 0.262 0.000 0.987 182 S CA 0.009 58.283 58.200 0.123 0.000 0.929 182 S CB 1.106 64.299 63.200 -0.013 0.000 0.832 182 S HN 0.136 8.813 8.310 0.212 -0.240 0.492 183 G N 0.455 109.472 108.800 0.362 0.000 2.849 183 G HA2 0.377 4.623 3.960 0.477 0.000 0.174 183 G HA3 0.377 4.645 3.960 0.208 -0.183 0.174 183 G C -1.955 173.030 174.900 0.141 0.000 1.370 183 G CA -1.152 44.138 45.100 0.317 0.000 1.040 183 G HN -0.846 7.724 8.290 0.291 -0.105 0.582 184 S N -0.440 115.306 115.700 0.075 0.000 2.672 184 S HA 0.185 4.688 4.470 0.054 0.000 0.276 184 S C 0.198 174.820 174.600 0.037 0.000 1.207 184 S CA -0.422 57.807 58.200 0.048 0.000 1.002 184 S CB 1.437 64.655 63.200 0.029 0.000 0.998 184 S HN -0.260 8.078 8.310 0.046 0.000 0.542 185 M N 0.296 119.916 119.600 0.032 0.000 2.228 185 M HA -0.051 4.573 4.480 0.033 -0.125 0.326 185 M C -0.685 175.630 176.300 0.025 0.000 1.122 185 M CA 0.436 55.753 55.300 0.029 0.000 1.161 185 M CB 0.885 33.500 32.600 0.026 0.000 1.437 185 M HN 0.047 8.356 8.290 0.030 0.000 0.465 186 I N 0.625 121.212 120.570 0.029 0.000 2.562 186 I HA 0.194 4.378 4.170 0.023 0.000 0.301 186 I C -1.889 174.245 176.117 0.028 0.000 1.003 186 I CA -2.062 59.255 61.300 0.028 0.000 1.127 186 I CB 2.722 40.745 38.000 0.038 0.000 1.304 186 I HN -0.411 8.086 8.210 0.032 -0.267 0.446 187 Q N 4.840 124.653 119.800 0.022 0.000 2.351 187 Q HA 0.375 4.729 4.340 0.022 0.000 0.273 187 Q C -1.190 174.821 176.000 0.018 0.000 1.077 187 Q CA -2.556 53.259 55.803 0.019 0.000 0.843 187 Q CB 2.959 31.706 28.738 0.014 0.000 1.367 187 Q HN -0.048 8.234 8.270 0.019 0.000 0.449 188 S N -0.145 115.566 115.700 0.018 0.000 2.585 188 S HA -0.092 4.544 4.470 0.016 -0.157 0.273 188 S C 1.346 175.949 174.600 0.006 0.000 1.339 188 S CA 0.301 58.510 58.200 0.015 0.000 1.028 188 S CB 0.688 63.899 63.200 0.019 0.000 0.906 188 S HN 0.161 8.482 8.310 0.019 0.000 0.528 189 G N 2.693 111.493 108.800 0.000 0.000 2.267 189 G HA2 -0.494 3.463 3.960 -0.006 0.000 0.257 189 G HA3 -0.494 3.466 3.960 -0.001 0.000 0.257 189 G C -0.541 174.354 174.900 -0.007 0.000 0.998 189 G CA 0.138 45.236 45.100 -0.004 0.000 0.620 189 G HN 0.468 8.757 8.290 -0.002 0.000 0.529 190 M N 3.004 122.601 119.600 -0.005 0.000 2.238 190 M HA -0.073 4.405 4.480 -0.004 0.000 0.347 190 M C -0.908 175.385 176.300 -0.011 0.000 1.173 190 M CA 0.905 56.202 55.300 -0.004 0.000 1.147 190 M CB 1.394 33.995 32.600 0.002 0.000 1.547 190 M HN -0.814 7.361 8.290 -0.002 0.114 0.455 191 S N 3.833 119.530 115.700 -0.006 0.000 2.586 191 S HA 0.391 4.984 4.470 -0.016 -0.133 0.274 191 S C -1.246 173.361 174.600 0.013 0.000 1.281 191 S CA 0.099 58.297 58.200 -0.004 0.000 1.035 191 S CB 1.120 64.319 63.200 -0.000 0.000 0.962 191 S HN -0.026 8.282 8.310 -0.004 0.000 0.512 192 M N 3.339 122.950 119.600 0.018 0.000 2.591 192 M HA 0.338 4.971 4.480 0.063 -0.115 0.306 192 M C -2.526 173.844 176.300 0.117 0.000 1.190 192 M CA -0.924 54.406 55.300 0.048 0.000 0.889 192 M CB 4.659 37.262 32.600 0.004 0.000 1.728 192 M HN -0.044 8.249 8.290 0.005 0.000 0.458 193 F N 4.475 124.411 119.950 -0.022 0.000 2.540 193 F HA 0.737 5.389 4.527 -0.029 -0.142 0.317 193 F C -2.591 173.207 175.800 -0.002 0.000 1.104 193 F CA -2.132 55.853 58.000 -0.024 0.000 0.913 193 F CB 3.717 42.695 39.000 -0.037 0.000 1.170 193 F HN -0.412 8.009 8.300 0.201 0.000 0.450 194 I N 0.535 120.545 120.570 -0.933 0.000 2.689 194 I HA 1.053 5.070 4.170 -0.602 -0.208 0.299 194 I C -2.537 173.022 176.117 -0.929 0.000 1.059 194 I CA -2.644 58.228 61.300 -0.713 0.000 1.055 194 I CB 4.101 42.002 38.000 -0.165 0.000 1.243 194 I HN 0.152 7.863 8.210 -0.832 0.000 0.425 195 L N 3.394 124.310 121.223 -0.512 0.000 2.617 195 L HA 0.587 4.949 4.340 -0.246 -0.169 0.259 195 L C -2.255 174.591 176.870 -0.040 0.000 0.995 195 L CA -0.391 54.288 54.840 -0.268 0.000 0.899 195 L CB 2.695 44.647 42.059 -0.178 0.000 1.181 195 L HN 0.058 8.078 8.230 -0.350 0.000 0.437 196 E N 7.399 127.640 120.200 0.069 0.000 2.277 196 E HA 0.823 5.447 4.350 0.100 -0.213 0.274 196 E C -0.844 175.845 176.600 0.148 0.000 1.022 196 E CA -1.399 55.074 56.400 0.121 0.000 0.853 196 E CB 2.801 32.580 29.700 0.132 0.000 1.086 196 E HN -0.104 8.326 8.360 0.117 0.000 0.397 197 T N -0.903 113.761 114.554 0.184 0.000 2.645 197 T HA 0.412 4.981 4.350 0.167 -0.119 0.300 197 T C -2.064 172.764 174.700 0.213 0.000 1.210 197 T CA -1.762 60.442 62.100 0.174 0.000 1.034 197 T CB 2.390 71.328 68.868 0.116 0.000 1.537 197 T HN 0.039 8.401 8.240 0.203 0.000 0.492 198 E N -1.384 118.890 120.200 0.123 0.000 2.597 198 E HA 0.270 4.634 4.350 0.024 0.000 0.310 198 E C -2.790 173.822 176.600 0.020 0.000 0.970 198 E CA -2.175 54.249 56.400 0.041 0.000 0.819 198 E CB 3.145 32.829 29.700 -0.027 0.000 1.267 198 E HN 0.176 8.590 8.360 0.091 0.000 0.411 199 P HA 0.056 4.409 4.420 -0.112 0.000 0.271 199 P C -0.621 176.752 177.300 0.122 0.000 1.238 199 P CA 0.011 63.139 63.100 0.047 0.000 0.794 199 P CB 0.763 32.541 31.700 0.130 0.000 0.959 200 A N -0.799 122.044 122.820 0.039 0.000 2.067 200 A HA 0.023 4.461 4.320 0.078 -0.072 0.217 200 A C 1.795 179.354 177.584 -0.042 0.000 1.156 200 A CA 1.838 53.904 52.037 0.049 0.000 0.683 200 A CB 0.182 19.222 19.000 0.067 0.000 0.808 200 A HN 0.597 8.736 8.150 -0.018 0.000 0.455 201 G N -2.968 105.786 108.800 -0.076 0.000 2.776 201 G HA2 -0.131 3.343 3.960 -0.810 0.000 0.209 201 G HA3 -0.131 3.652 3.960 -0.294 0.000 0.209 201 G C 0.332 174.936 174.900 -0.493 0.000 1.145 201 G CA 0.927 45.756 45.100 -0.452 0.000 0.791 201 G HN -0.193 8.078 8.290 0.022 0.032 0.530 202 Y N -0.431 119.790 120.300 -0.132 0.000 2.510 202 Y HA -0.026 4.489 4.550 -0.059 0.000 0.273 202 Y C 1.313 177.166 175.900 -0.079 0.000 1.119 202 Y CA 1.452 59.510 58.100 -0.070 0.000 1.286 202 Y CB 1.044 39.500 38.460 -0.008 0.000 1.061 202 Y HN -0.836 7.428 8.280 0.097 0.075 0.542 203 V N -2.707 117.220 119.914 0.022 0.000 3.444 203 V HA -0.345 3.804 4.120 0.048 0.000 0.271 203 V C 0.074 176.130 176.094 -0.065 0.000 1.188 203 V CA 1.714 64.015 62.300 0.001 0.000 1.168 203 V CB -0.513 31.306 31.823 -0.006 0.000 0.810 203 V HN -0.846 7.338 8.190 -0.009 0.000 0.500 204 L N 0.131 121.259 121.223 -0.159 0.000 2.156 204 L HA -0.201 4.046 4.340 -0.156 0.000 0.208 204 L C 1.359 178.180 176.870 -0.081 0.000 1.095 204 L CA 2.654 57.388 54.840 -0.178 0.000 0.770 204 L CB -0.428 41.428 42.059 -0.339 0.000 0.914 204 L HN -0.477 7.556 8.230 -0.214 0.068 0.439 205 K N -0.583 119.795 120.400 -0.037 0.000 2.076 205 K HA -0.323 3.993 4.320 -0.007 0.000 0.204 205 K C 1.342 177.953 176.600 0.018 0.000 1.051 205 K CA 2.304 58.596 56.287 0.009 0.000 0.949 205 K CB -0.566 31.976 32.500 0.069 0.000 0.726 205 K HN -0.710 7.522 8.250 -0.030 0.000 0.443 206 A N -2.479 120.363 122.820 0.035 0.000 1.969 206 A HA -0.138 4.205 4.320 0.038 0.000 0.218 206 A C 1.593 179.196 177.584 0.031 0.000 1.169 206 A CA 2.655 54.719 52.037 0.045 0.000 0.635 206 A CB -0.778 18.272 19.000 0.085 0.000 0.810 206 A HN -0.534 7.642 8.150 0.043 0.000 0.445 207 A N -2.357 120.470 122.820 0.012 0.000 1.969 207 A HA -0.283 4.045 4.320 0.014 0.000 0.218 207 A C 1.565 179.136 177.584 -0.022 0.000 1.169 207 A CA 3.057 55.089 52.037 -0.007 0.000 0.635 207 A CB -0.634 18.339 19.000 -0.044 0.000 0.810 207 A HN -0.246 7.887 8.150 -0.000 0.016 0.445 208 N N -2.950 115.736 118.700 -0.023 0.000 2.173 208 N HA -0.227 4.495 4.740 -0.031 0.000 0.184 208 N C 1.780 177.275 175.510 -0.025 0.000 1.025 208 N CA 2.454 55.487 53.050 -0.028 0.000 0.852 208 N CB 0.194 38.660 38.487 -0.035 0.000 0.998 208 N HN -0.676 7.577 8.380 -0.021 0.115 0.427 209 E N -0.765 119.425 120.200 -0.017 0.000 2.274 209 E HA -0.188 4.151 4.350 -0.018 0.000 0.194 209 E C 2.049 178.630 176.600 -0.032 0.000 0.996 209 E CA 2.164 58.553 56.400 -0.018 0.000 0.840 209 E CB -0.429 29.267 29.700 -0.006 0.000 0.772 209 E HN -0.438 7.916 8.360 -0.011 0.000 0.491 210 A N -0.651 122.147 122.820 -0.037 0.000 1.930 210 A HA -0.177 4.092 4.320 -0.084 0.000 0.215 210 A C 1.258 178.809 177.584 -0.056 0.000 1.176 210 A CA 3.174 55.172 52.037 -0.064 0.000 0.632 210 A CB -0.525 18.434 19.000 -0.067 0.000 0.819 210 A HN -0.414 7.697 8.150 -0.026 0.024 0.445 211 E N -1.828 118.348 120.200 -0.039 0.000 2.150 211 E HA -0.275 4.150 4.350 -0.037 -0.097 0.193 211 E C 1.576 178.156 176.600 -0.033 0.000 0.985 211 E CA 2.345 58.723 56.400 -0.036 0.000 0.814 211 E CB -0.084 29.597 29.700 -0.032 0.000 0.752 211 E HN -0.671 7.668 8.360 -0.034 0.000 0.466 212 K N -3.046 117.335 120.400 -0.032 0.000 2.097 212 K HA -0.195 4.110 4.320 -0.025 0.000 0.205 212 K C 2.033 178.615 176.600 -0.031 0.000 1.050 212 K CA 2.159 58.429 56.287 -0.027 0.000 0.938 212 K CB 0.056 32.543 32.500 -0.022 0.000 0.718 212 K HN -0.588 7.643 8.250 -0.032 0.000 0.442 213 S N -1.934 113.742 115.700 -0.040 0.000 2.387 213 S HA -0.116 4.331 4.470 -0.039 0.000 0.226 213 S C -0.350 174.222 174.600 -0.047 0.000 1.026 213 S CA 2.062 60.234 58.200 -0.046 0.000 0.972 213 S CB 0.816 63.979 63.200 -0.063 0.000 0.814 213 S HN -0.594 7.573 8.310 -0.044 0.116 0.477 214 A N -0.559 122.231 122.820 -0.050 0.000 2.572 214 A HA 0.223 4.519 4.320 -0.040 0.000 0.295 214 A C -2.295 175.267 177.584 -0.037 0.000 1.072 214 A CA -1.027 50.983 52.037 -0.046 0.000 0.691 214 A CB 2.641 21.606 19.000 -0.059 0.000 1.291 214 A HN -0.654 7.465 8.150 -0.051 0.000 0.404 215 N N 2.238 120.920 118.700 -0.030 0.000 2.968 215 N HA 0.027 4.754 4.740 -0.023 0.000 0.271 215 N C -0.469 175.028 175.510 -0.021 0.000 1.174 215 N CA -0.271 52.766 53.050 -0.023 0.000 1.096 215 N CB -0.591 37.885 38.487 -0.018 0.000 1.403 215 N HN 0.298 8.661 8.380 -0.029 0.000 0.522 216 I N -1.315 119.241 120.570 -0.024 0.000 3.842 216 I HA 0.433 4.594 4.170 -0.015 0.000 0.273 216 I C -0.643 175.466 176.117 -0.013 0.000 1.348 216 I CA -2.788 58.501 61.300 -0.018 0.000 0.948 216 I CB 1.389 39.378 38.000 -0.018 0.000 1.534 216 I HN -0.738 7.424 8.210 -0.027 0.031 0.656 217 T N 1.802 116.351 114.554 -0.008 0.000 2.815 217 T HA 0.289 4.814 4.350 -0.014 -0.184 0.289 217 T C -0.539 174.146 174.700 -0.025 0.000 1.000 217 T CA -0.531 61.562 62.100 -0.011 0.000 0.958 217 T CB 1.798 70.665 68.868 -0.002 0.000 0.944 217 T HN -0.279 7.960 8.240 -0.002 0.000 0.442 218 I N 8.501 129.039 120.570 -0.053 0.000 2.421 218 I HA -0.202 3.903 4.170 -0.107 0.000 0.291 218 I C -0.275 175.762 176.117 -0.133 0.000 1.089 218 I CA 1.205 62.432 61.300 -0.120 0.000 1.354 218 I CB -0.628 37.254 38.000 -0.196 0.000 1.413 218 I HN -0.018 8.361 8.210 -0.047 -0.197 0.513 219 I N 7.025 127.527 120.570 -0.112 0.000 2.296 219 I HA 0.119 4.432 4.170 -0.033 -0.162 0.242 219 I C 0.131 176.182 176.117 -0.110 0.000 1.087 219 I CA -0.741 60.519 61.300 -0.068 0.000 1.393 219 I CB 0.518 38.505 38.000 -0.022 0.000 1.093 219 I HN 0.110 8.263 8.210 -0.096 0.000 0.421 220 D N -2.724 117.560 120.400 -0.193 0.000 2.836 220 D HA 0.268 4.727 4.640 -0.301 0.000 0.215 220 D C -2.384 173.778 176.300 -0.231 0.000 1.255 220 D CA 0.468 54.354 54.000 -0.190 0.000 0.822 220 D CB 4.255 45.071 40.800 0.027 0.000 1.656 220 D HN -0.680 7.581 8.370 -0.182 0.000 0.511 221 V N 2.096 121.849 119.914 -0.269 0.000 2.315 221 V HA 0.276 4.485 4.120 -0.093 -0.145 0.265 221 V C -0.917 175.234 176.094 0.094 0.000 1.019 221 V CA -0.949 61.291 62.300 -0.100 0.000 0.824 221 V CB 0.504 32.219 31.823 -0.179 0.000 1.072 221 V HN -0.362 7.634 8.190 -0.324 0.000 0.448 222 K N 5.616 126.058 120.400 0.070 0.000 2.273 222 K HA 0.155 4.545 4.320 0.116 0.000 0.287 222 K C -1.104 175.503 176.600 0.012 0.000 1.089 222 K CA -0.755 55.582 56.287 0.082 0.000 0.909 222 K CB 0.041 32.601 32.500 0.099 0.000 1.123 222 K HN -0.323 7.954 8.250 0.045 0.000 0.473 223 A N 4.439 127.216 122.820 -0.071 0.000 2.348 223 A HA 0.145 4.535 4.320 -0.183 -0.180 0.224 223 A C -0.820 176.771 177.584 0.011 0.000 1.227 223 A CA -0.037 51.861 52.037 -0.231 0.000 0.885 223 A CB 0.770 19.270 19.000 -0.833 0.000 0.933 223 A HN 0.516 8.631 8.150 -0.057 0.000 0.506 224 V N -1.090 118.921 119.914 0.160 0.000 2.459 224 V HA -0.091 4.220 4.120 0.319 0.000 0.295 224 V C -0.279 175.938 176.094 0.205 0.000 1.029 224 V CA -0.625 61.833 62.300 0.264 0.000 0.874 224 V CB 1.208 33.211 31.823 0.300 0.000 0.985 224 V HN -0.648 7.580 8.190 0.136 0.044 0.438 225 G N 4.855 113.796 108.800 0.234 0.000 2.361 225 G HA2 -0.065 4.243 3.960 0.243 0.000 0.331 225 G HA3 -0.065 4.019 3.960 0.206 0.000 0.331 225 G C -1.702 173.340 174.900 0.236 0.000 1.324 225 G CA -0.568 44.673 45.100 0.235 0.000 0.984 225 G HN -0.287 8.282 8.290 0.268 -0.119 0.586 226 A N -1.068 121.882 122.820 0.217 0.000 1.903 226 A HA -0.239 4.178 4.320 0.162 0.000 0.219 226 A C -0.896 176.422 177.584 -0.443 0.000 1.191 226 A CA 2.138 54.154 52.037 -0.035 0.000 0.638 226 A CB 0.364 19.312 19.000 -0.087 0.000 0.823 226 A HN 0.149 8.423 8.150 0.228 0.013 0.451 227 F N -6.081 113.935 119.950 0.111 0.000 2.563 227 F HA 0.349 5.032 4.527 0.065 -0.116 0.316 227 F C -0.274 175.562 175.800 0.059 0.000 1.076 227 F CA -2.455 55.588 58.000 0.072 0.000 0.921 227 F CB 3.853 42.888 39.000 0.058 0.000 1.209 227 F HN -0.972 7.541 8.300 0.358 0.002 0.462 228 G N 0.620 109.549 108.800 0.216 0.000 2.329 228 G HA2 0.243 4.442 3.960 0.099 0.000 0.309 228 G HA3 0.243 4.417 3.960 0.074 -0.170 0.309 228 G C -1.785 173.177 174.900 0.102 0.000 1.110 228 G CA -0.889 44.280 45.100 0.116 0.000 0.923 228 G HN 0.065 8.485 8.290 0.218 0.000 0.430 229 R N 4.211 124.754 120.500 0.070 0.000 2.387 229 R HA 0.292 4.783 4.340 0.039 -0.127 0.314 229 R C -2.175 174.123 176.300 -0.004 0.000 0.958 229 R CA -1.091 55.031 56.100 0.037 0.000 0.846 229 R CB 2.864 33.186 30.300 0.036 0.000 1.147 229 R HN -0.071 8.240 8.270 0.068 0.000 0.447 230 L N 6.212 127.414 121.223 -0.035 0.000 2.349 230 L HA 0.671 5.126 4.340 -0.059 -0.151 0.278 230 L C -1.927 174.886 176.870 -0.095 0.000 0.996 230 L CA -1.008 53.799 54.840 -0.055 0.000 0.825 230 L CB 3.477 45.527 42.059 -0.015 0.000 1.243 230 L HN -0.059 8.144 8.230 -0.046 0.000 0.412 231 T N 9.554 124.065 114.554 -0.072 0.000 2.812 231 T HA 0.647 5.133 4.350 -0.092 -0.191 0.282 231 T C -1.433 173.261 174.700 -0.009 0.000 0.990 231 T CA -0.446 61.621 62.100 -0.056 0.000 0.960 231 T CB 1.868 70.714 68.868 -0.036 0.000 0.948 231 T HN 0.224 8.417 8.240 -0.078 0.000 0.438 232 L N 4.838 126.103 121.223 0.070 0.000 2.267 232 L HA 0.877 5.397 4.340 0.034 -0.161 0.264 232 L C -0.958 175.955 176.870 0.072 0.000 1.021 232 L CA -2.411 52.482 54.840 0.088 0.000 0.861 232 L CB 3.831 45.998 42.059 0.179 0.000 1.443 232 L HN 0.325 8.611 8.230 0.094 0.000 0.475 233 A N -4.341 118.509 122.820 0.050 0.000 2.540 233 A HA 0.817 5.343 4.320 0.045 -0.179 0.291 233 A C -1.727 175.868 177.584 0.018 0.000 1.083 233 A CA -0.833 51.225 52.037 0.035 0.000 0.650 233 A CB 3.121 22.134 19.000 0.022 0.000 1.292 233 A HN -0.550 7.623 8.150 0.039 0.000 0.435 234 G N -2.846 105.961 108.800 0.011 0.000 2.291 234 G HA2 -0.157 3.803 3.960 0.000 0.000 0.249 234 G HA3 -0.157 3.802 3.960 -0.003 0.000 0.249 234 G C -2.724 172.175 174.900 -0.002 0.000 1.340 234 G CA 0.122 45.222 45.100 0.001 0.000 1.017 234 G HN -0.291 8.006 8.290 0.011 0.000 0.470 235 K N 1.697 122.092 120.400 -0.008 0.000 2.118 235 K HA 0.065 4.380 4.320 -0.008 0.000 0.264 235 K C 0.245 176.837 176.600 -0.014 0.000 1.000 235 K CA -0.755 55.526 56.287 -0.010 0.000 0.929 235 K CB 1.054 33.547 32.500 -0.012 0.000 1.021 235 K HN 0.108 8.352 8.250 -0.011 0.000 0.463 236 E N 3.436 123.629 120.200 -0.013 0.000 2.048 236 E HA -0.495 3.848 4.350 -0.012 0.000 0.202 236 E C 1.570 178.156 176.600 -0.024 0.000 1.021 236 E CA 4.257 60.647 56.400 -0.015 0.000 0.825 236 E CB -0.148 29.543 29.700 -0.014 0.000 0.756 236 E HN 0.671 9.024 8.360 -0.012 0.000 0.454 237 G N -2.172 106.613 108.800 -0.026 0.000 2.422 237 G HA2 -0.321 3.618 3.960 -0.035 0.000 0.218 237 G HA3 -0.321 3.622 3.960 -0.029 0.000 0.218 237 G C 1.196 176.070 174.900 -0.042 0.000 1.146 237 G CA 1.694 46.774 45.100 -0.033 0.000 0.769 237 G HN 0.152 8.428 8.290 -0.022 0.000 0.547 238 D N 1.020 121.398 120.400 -0.037 0.000 2.178 238 D HA -0.157 4.455 4.640 -0.045 0.000 0.202 238 D C 2.000 178.264 176.300 -0.060 0.000 0.974 238 D CA 2.384 56.358 54.000 -0.043 0.000 0.841 238 D CB -0.064 40.718 40.800 -0.031 0.000 0.953 238 D HN -0.783 7.569 8.370 -0.030 0.000 0.478 239 V N -1.010 118.871 119.914 -0.055 0.000 2.788 239 V HA -0.409 3.663 4.120 -0.081 0.000 0.251 239 V C 1.532 177.544 176.094 -0.137 0.000 1.068 239 V CA 3.284 65.541 62.300 -0.071 0.000 1.090 239 V CB 0.077 31.893 31.823 -0.011 0.000 0.710 239 V HN -0.208 7.835 8.190 -0.042 0.122 0.467 240 E N -0.341 119.796 120.200 -0.105 0.000 2.347 240 E HA -0.313 3.951 4.350 -0.143 0.000 0.196 240 E C 2.363 178.872 176.600 -0.152 0.000 1.008 240 E CA 3.136 59.463 56.400 -0.123 0.000 0.852 240 E CB -0.486 29.169 29.700 -0.075 0.000 0.783 240 E HN -0.524 7.791 8.360 -0.076 0.000 0.505 241 E N -0.441 119.677 120.200 -0.135 0.000 2.140 241 E HA -0.094 4.186 4.350 -0.118 0.000 0.191 241 E C 1.345 177.842 176.600 -0.171 0.000 0.973 241 E CA 2.123 58.446 56.400 -0.127 0.000 0.829 241 E CB -0.188 29.459 29.700 -0.088 0.000 0.781 241 E HN -0.656 7.599 8.360 -0.118 0.035 0.466 242 A N -0.896 121.802 122.820 -0.202 0.000 2.015 242 A HA -0.108 4.102 4.320 -0.183 0.000 0.219 242 A C 1.558 178.869 177.584 -0.455 0.000 1.163 242 A CA 2.601 54.492 52.037 -0.244 0.000 0.646 242 A CB -0.539 18.349 19.000 -0.188 0.000 0.806 242 A HN -0.685 7.356 8.150 -0.181 0.000 0.448 243 A N -2.382 120.043 122.820 -0.658 0.000 1.855 243 A HA -0.255 2.870 4.320 -1.992 0.000 0.215 243 A C 1.630 178.895 177.584 -0.531 0.000 1.191 243 A CA 2.814 54.176 52.037 -1.126 0.000 0.613 243 A CB -0.641 17.795 19.000 -0.941 0.000 0.829 243 A HN -0.246 7.574 8.150 -0.516 0.021 0.442 244 A N -2.276 120.361 122.820 -0.305 0.000 1.940 244 A HA -0.325 3.910 4.320 -0.142 0.000 0.219 244 A C 1.817 179.321 177.584 -0.134 0.000 1.176 244 A CA 2.825 54.761 52.037 -0.169 0.000 0.631 244 A CB -0.747 18.179 19.000 -0.123 0.000 0.814 244 A HN -0.624 7.353 8.150 -0.288 0.000 0.446 245 A N -3.699 119.031 122.820 -0.149 0.000 1.969 245 A HA -0.305 3.972 4.320 -0.071 0.000 0.218 245 A C 1.449 178.988 177.584 -0.075 0.000 1.169 245 A CA 2.687 54.666 52.037 -0.097 0.000 0.635 245 A CB -0.575 18.368 19.000 -0.095 0.000 0.810 245 A HN -0.492 7.541 8.150 -0.182 0.008 0.445 246 A N -1.974 120.780 122.820 -0.111 0.000 2.014 246 A HA -0.208 4.117 4.320 0.009 0.000 0.218 246 A C 1.861 179.461 177.584 0.027 0.000 1.163 246 A CA 2.349 54.377 52.037 -0.016 0.000 0.652 246 A CB -0.594 18.431 19.000 0.043 0.000 0.808 246 A HN -0.698 7.215 8.150 -0.200 0.117 0.449 247 I N -1.851 118.714 120.570 -0.009 0.000 2.202 247 I HA -0.525 3.670 4.170 0.042 0.000 0.242 247 I C 1.821 177.941 176.117 0.005 0.000 1.091 247 I CA 3.804 65.111 61.300 0.011 0.000 1.368 247 I CB -0.423 37.569 38.000 -0.014 0.000 1.058 247 I HN -0.550 7.523 8.210 -0.061 0.100 0.410 248 R N -1.815 118.680 120.500 -0.008 0.000 2.148 248 R HA -0.270 4.069 4.340 -0.001 0.000 0.223 248 R C 2.228 178.536 176.300 0.014 0.000 1.088 248 R CA 3.071 59.170 56.100 -0.002 0.000 0.985 248 R CB -0.526 29.769 30.300 -0.009 0.000 0.880 248 R HN -0.602 7.655 8.270 -0.021 0.000 0.451 249 A N -0.590 122.243 122.820 0.021 0.000 1.902 249 A HA -0.196 4.150 4.320 0.044 0.000 0.217 249 A C 1.258 178.874 177.584 0.054 0.000 1.181 249 A CA 2.780 54.842 52.037 0.042 0.000 0.623 249 A CB -0.444 18.582 19.000 0.045 0.000 0.818 249 A HN -0.702 7.337 8.150 0.015 0.120 0.443 250 I N -4.488 116.107 120.570 0.041 0.000 2.584 250 I HA -0.230 3.953 4.170 0.021 0.000 0.255 250 I C 1.573 177.684 176.117 -0.011 0.000 1.145 250 I CA 1.794 63.104 61.300 0.017 0.000 1.462 250 I CB 0.228 38.238 38.000 0.017 0.000 1.102 250 I HN -0.736 7.497 8.210 0.039 0.000 0.433 251 D N -0.714 119.686 120.400 -0.000 0.000 2.323 251 D HA -0.044 4.585 4.640 -0.017 0.000 0.209 251 D C 1.046 177.345 176.300 -0.002 0.000 0.973 251 D CA 1.864 55.860 54.000 -0.008 0.000 0.874 251 D CB -0.114 40.683 40.800 -0.005 0.000 0.930 251 D HN -0.448 7.839 8.370 0.008 0.088 0.521 252 Q N -2.823 116.984 119.800 0.012 0.000 2.247 252 Q HA 0.080 4.430 4.340 0.015 0.000 0.205 252 Q C 0.090 176.109 176.000 0.032 0.000 0.896 252 Q CA 0.414 56.230 55.803 0.022 0.000 0.950 252 Q CB 0.022 28.778 28.738 0.031 0.000 1.054 252 Q HN -0.485 7.763 8.270 0.017 0.032 0.482 253 I N -3.466 117.113 120.570 0.016 0.000 4.139 253 I HA -0.019 4.182 4.170 0.052 0.000 0.320 253 I C -0.079 176.027 176.117 -0.018 0.000 1.290 253 I CA -0.123 61.188 61.300 0.018 0.000 1.253 253 I CB 1.383 39.388 38.000 0.008 0.000 1.122 253 I HN -0.880 7.247 8.210 -0.002 0.082 0.421 254 S N 0.000 115.679 115.700 -0.035 0.000 2.498 254 S HA 0.000 4.437 4.470 -0.055 0.000 0.327 254 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 254 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 254 S HN 0.000 8.290 8.310 -0.033 0.000 0.517