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 2fyd_1_B DATA FIRST_RESID 131 DATA SEQUENCE LTAcPEESPL LVGPMLIEFN IPVDLKLVEQ QNPKVKLGGR YTPMDcISPH DATA SEQUENCE KVAIIIPFRN RQEHLKYWLY YLHPILQRQQ LDYGIYVINQ AGESMFNRAK DATA SEQUENCE LLNVGFKEAL KDYDYNcFVF SDVDLIPMND HNTYRcFSQP RHISVAMDKF DATA SEQUENCE GFSLPYVQYF GGVSALSKQQ FLSINGFPNN YcGWGGEDDD IYNRLAFRGM DATA SEQUENCE SVSRPNAVIG KTRMIRHSRD KKNEPNPQRF DRIAHTKETM LSDGLNSLTY DATA SEQUENCE MVLEVQRYPL YTKITVDIGT cS 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 131 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 131 L C 0.000 176.866 176.870 -0.007 0.000 1.165 131 L CA 0.000 54.836 54.840 -0.008 0.000 0.813 131 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 132 T N -2.060 112.491 114.554 -0.004 0.000 2.910 132 T HA 0.928 5.260 4.350 -0.030 0.000 0.287 132 T C 0.112 174.810 174.700 -0.005 0.000 1.050 132 T CA -0.452 61.645 62.100 -0.005 0.000 1.011 132 T CB 1.691 70.558 68.868 -0.002 0.000 1.195 132 T HN 1.136 9.376 8.240 -0.000 0.000 0.540 133 A N 0.389 123.205 122.820 -0.008 0.000 2.540 133 A HA 0.400 4.702 4.320 -0.030 0.000 0.239 133 A C 0.894 178.478 177.584 -0.000 0.000 1.061 133 A CA -0.605 51.425 52.037 -0.012 0.000 0.758 133 A CB -1.085 17.903 19.000 -0.020 0.000 0.991 133 A HN 1.020 9.170 8.150 -0.000 0.000 0.502 134 c N 4.425 123.027 118.600 0.005 0.000 2.665 134 c HA 0.310 4.862 4.570 -0.030 0.000 0.416 134 c C -1.007 173.097 174.090 0.024 0.000 1.305 134 c CA -0.471 55.873 56.329 0.024 0.000 1.903 134 c CB -0.657 41.880 42.510 0.045 0.000 2.704 134 c HN 0.807 9.037 8.230 -0.000 0.000 0.629 135 P HA 0.047 4.467 4.420 -0.000 0.000 0.271 135 P C 0.755 178.082 177.300 0.046 0.000 1.233 135 P CA 0.118 63.238 63.100 0.033 0.000 0.789 135 P CB 0.506 32.226 31.700 0.032 0.000 0.951 136 E N 0.372 120.600 120.200 0.047 0.000 2.058 136 E HA -0.179 4.153 4.350 -0.030 0.000 0.194 136 E C 0.405 177.049 176.600 0.074 0.000 0.997 136 E CA 1.409 57.846 56.400 0.062 0.000 0.801 136 E CB 0.209 29.944 29.700 0.058 0.000 0.746 136 E HN 0.565 8.925 8.360 -0.000 0.000 0.450 137 E N 0.280 120.518 120.200 0.063 0.000 2.187 137 E HA 0.179 4.511 4.350 -0.030 0.000 0.268 137 E C -1.116 175.505 176.600 0.034 0.000 0.896 137 E CA -0.254 56.180 56.400 0.057 0.000 0.766 137 E CB 1.505 31.249 29.700 0.072 0.000 1.142 137 E HN -0.076 8.284 8.360 -0.000 0.000 0.408 138 S N 4.282 119.990 115.700 0.013 0.000 2.549 138 S HA 0.158 4.610 4.470 -0.030 0.000 0.283 138 S C -1.444 173.148 174.600 -0.012 0.000 1.320 138 S CA -1.130 57.073 58.200 0.004 0.000 1.058 138 S CB 0.830 64.025 63.200 -0.008 0.000 0.882 138 S HN 0.507 8.817 8.310 -0.000 0.000 0.498 139 P HA 0.083 4.503 4.420 -0.000 0.000 0.245 139 P C 0.814 178.108 177.300 -0.011 0.000 1.212 139 P CA 0.434 63.535 63.100 0.001 0.000 0.774 139 P CB 0.044 31.751 31.700 0.012 0.000 0.999 140 L N -1.527 119.682 121.223 -0.023 0.000 2.477 140 L HA 0.095 4.417 4.340 -0.030 0.000 0.220 140 L C 0.864 177.699 176.870 -0.060 0.000 1.106 140 L CA -0.364 54.457 54.840 -0.032 0.000 0.851 140 L CB -0.552 41.492 42.059 -0.025 0.000 0.994 140 L HN -0.093 8.137 8.230 -0.000 0.000 0.462 141 L N 0.859 122.023 121.223 -0.098 0.000 2.559 141 L HA -0.096 4.226 4.340 -0.030 0.000 0.282 141 L C 1.189 178.002 176.870 -0.094 0.000 1.232 141 L CA 0.754 55.495 54.840 -0.164 0.000 0.885 141 L CB 0.902 42.741 42.059 -0.366 0.000 1.131 141 L HN 0.004 8.234 8.230 -0.000 0.000 0.498 142 V N 1.028 120.901 119.914 -0.070 0.000 3.661 142 V HA 0.632 4.734 4.120 -0.030 0.000 0.271 142 V C 1.077 177.201 176.094 0.050 0.000 1.315 142 V CA 0.660 62.955 62.300 -0.009 0.000 1.072 142 V CB -0.214 31.596 31.823 -0.022 0.000 0.830 142 V HN 1.135 9.325 8.190 -0.000 0.000 0.443 143 G N 1.457 110.314 108.800 0.096 0.000 2.498 143 G HA2 -0.193 3.749 3.960 -0.030 0.000 0.245 143 G HA3 -0.193 3.749 3.960 -0.030 0.000 0.245 143 G C -2.454 172.497 174.900 0.085 0.000 1.204 143 G CA -0.143 45.086 45.100 0.215 0.000 0.933 143 G HN 0.659 8.949 8.290 -0.000 0.000 0.574 144 P HA 0.305 4.725 4.420 -0.000 0.000 0.265 144 P C -0.300 176.989 177.300 -0.018 0.000 1.187 144 P CA 0.841 63.938 63.100 -0.005 0.000 0.766 144 P CB 0.336 32.020 31.700 -0.026 0.000 0.820 145 M N 2.149 121.728 119.600 -0.036 0.000 2.518 145 M HA 0.376 4.838 4.480 -0.030 0.000 0.300 145 M C -0.148 176.117 176.300 -0.058 0.000 1.175 145 M CA -0.962 54.313 55.300 -0.041 0.000 0.890 145 M CB 2.312 34.883 32.600 -0.048 0.000 1.710 145 M HN 0.092 8.382 8.290 -0.000 0.000 0.453 146 L N 4.045 125.244 121.223 -0.040 0.000 2.313 146 L HA 0.388 4.710 4.340 -0.030 0.000 0.282 146 L C -0.726 176.089 176.870 -0.091 0.000 1.092 146 L CA -0.371 54.436 54.840 -0.054 0.000 0.831 146 L CB 0.221 42.268 42.059 -0.020 0.000 1.159 146 L HN 0.517 8.748 8.230 -0.000 0.000 0.442 147 I N 4.423 124.865 120.570 -0.213 0.000 2.382 147 I HA 0.311 4.463 4.170 -0.030 0.000 0.285 147 I C 0.130 175.895 176.117 -0.586 0.000 1.007 147 I CA -0.280 60.727 61.300 -0.488 0.000 1.142 147 I CB 1.422 39.081 38.000 -0.570 0.000 1.289 147 I HN 0.697 8.907 8.210 -0.000 0.000 0.453 148 E N 5.430 125.306 120.200 -0.540 0.000 2.367 148 E HA 0.555 4.887 4.350 -0.030 0.000 0.273 148 E C -1.558 174.668 176.600 -0.622 0.000 0.903 148 E CA -0.679 55.380 56.400 -0.568 0.000 0.764 148 E CB 2.039 31.640 29.700 -0.164 0.000 1.252 148 E HN 0.282 8.642 8.360 -0.000 0.000 0.446 149 F N 1.523 121.446 119.950 -0.046 0.000 2.739 149 F HA 0.369 4.877 4.527 -0.031 0.000 0.345 149 F C 0.726 176.490 175.800 -0.059 0.000 1.373 149 F CA -0.632 57.205 58.000 -0.272 0.000 1.160 149 F CB 0.199 38.779 39.000 -0.700 0.000 1.137 149 F HN 0.328 8.628 8.300 -0.000 0.000 0.524 150 N N 0.552 119.353 118.700 0.169 0.000 2.454 150 N HA 0.226 4.948 4.740 -0.030 0.000 0.177 150 N C 0.513 176.128 175.510 0.175 0.000 1.049 150 N CA 0.487 53.627 53.050 0.149 0.000 0.887 150 N CB 1.069 39.606 38.487 0.083 0.000 1.095 150 N HN 0.281 8.661 8.380 -0.000 0.000 0.446 151 I N 3.174 123.855 120.570 0.185 0.000 2.371 151 I HA 0.219 4.370 4.170 -0.030 0.000 0.290 151 I C -2.078 174.089 176.117 0.083 0.000 1.028 151 I CA -1.752 59.609 61.300 0.102 0.000 1.345 151 I CB 0.912 38.929 38.000 0.028 0.000 1.407 151 I HN -0.227 7.983 8.210 -0.000 0.000 0.501 152 P HA 0.045 4.465 4.420 -0.000 0.000 0.266 152 P C -0.830 176.334 177.300 -0.227 0.000 1.193 152 P CA -0.085 62.979 63.100 -0.059 0.000 0.770 152 P CB 0.539 32.217 31.700 -0.036 0.000 0.836 153 V N 2.717 122.428 119.914 -0.338 0.000 2.495 153 V HA 0.296 4.397 4.120 -0.030 0.000 0.298 153 V C -0.215 175.735 176.094 -0.240 0.000 1.031 153 V CA -0.332 61.718 62.300 -0.417 0.000 0.871 153 V CB 1.877 33.327 31.823 -0.622 0.000 0.988 153 V HN 0.521 8.711 8.190 -0.000 0.000 0.432 154 D N 3.706 123.993 120.400 -0.189 0.000 2.414 154 D HA 0.352 4.974 4.640 -0.030 0.000 0.232 154 D C 0.923 177.177 176.300 -0.076 0.000 1.070 154 D CA -0.355 53.581 54.000 -0.107 0.000 0.839 154 D CB 1.842 42.592 40.800 -0.083 0.000 1.079 154 D HN 0.397 8.767 8.370 -0.000 0.000 0.521 155 L N 3.102 124.295 121.223 -0.049 0.000 2.127 155 L HA -0.169 4.152 4.340 -0.030 0.000 0.211 155 L C 2.304 179.168 176.870 -0.011 0.000 1.089 155 L CA 0.772 55.606 54.840 -0.010 0.000 0.757 155 L CB -0.203 41.855 42.059 -0.001 0.000 0.899 155 L HN 0.287 8.517 8.230 -0.000 0.000 0.434 156 K N -0.037 120.349 120.400 -0.024 0.000 2.063 156 K HA -0.144 4.157 4.320 -0.030 0.000 0.208 156 K C 2.065 178.655 176.600 -0.016 0.000 1.048 156 K CA 1.048 57.323 56.287 -0.019 0.000 0.928 156 K CB -0.432 32.056 32.500 -0.021 0.000 0.713 156 K HN 0.205 8.455 8.250 -0.000 0.000 0.442 157 L N 1.099 122.309 121.223 -0.022 0.000 2.093 157 L HA -0.129 4.192 4.340 -0.030 0.000 0.208 157 L C 2.275 179.149 176.870 0.008 0.000 1.085 157 L CA 1.221 56.052 54.840 -0.015 0.000 0.755 157 L CB -0.706 41.333 42.059 -0.033 0.000 0.904 157 L HN -0.107 8.123 8.230 -0.000 0.000 0.435 158 V N 0.045 119.972 119.914 0.021 0.000 2.407 158 V HA -0.264 3.838 4.120 -0.030 0.000 0.248 158 V C 2.444 178.544 176.094 0.011 0.000 1.055 158 V CA 1.552 63.886 62.300 0.058 0.000 1.049 158 V CB -0.487 31.397 31.823 0.103 0.000 0.662 158 V HN 0.484 8.674 8.190 -0.000 0.000 0.455 159 E N -0.120 120.076 120.200 -0.006 0.000 2.077 159 E HA -0.307 4.025 4.350 -0.030 0.000 0.193 159 E C 2.254 178.838 176.600 -0.028 0.000 0.989 159 E CA 1.384 57.765 56.400 -0.031 0.000 0.800 159 E CB -0.195 29.490 29.700 -0.025 0.000 0.746 159 E HN 0.635 8.995 8.360 -0.000 0.000 0.452 160 Q N 0.936 120.727 119.800 -0.016 0.000 2.096 160 Q HA -0.235 4.086 4.340 -0.030 0.000 0.204 160 Q C 2.075 178.067 176.000 -0.012 0.000 0.982 160 Q CA 1.575 57.370 55.803 -0.013 0.000 0.850 160 Q CB 0.083 28.816 28.738 -0.009 0.000 0.901 160 Q HN 0.304 8.574 8.270 -0.000 0.000 0.422 161 Q N -0.477 119.318 119.800 -0.008 0.000 2.369 161 Q HA -0.002 4.320 4.340 -0.030 0.000 0.206 161 Q C 0.037 176.021 176.000 -0.027 0.000 0.963 161 Q CA 0.482 56.278 55.803 -0.011 0.000 0.894 161 Q CB 0.414 29.154 28.738 0.004 0.000 0.965 161 Q HN 0.308 8.578 8.270 -0.000 0.000 0.475 162 N N 0.727 119.403 118.700 -0.039 0.000 2.735 162 N HA 0.115 4.837 4.740 -0.030 0.000 0.312 162 N C -2.163 173.319 175.510 -0.047 0.000 1.843 162 N CA -0.806 52.209 53.050 -0.059 0.000 0.945 162 N CB 1.055 39.474 38.487 -0.114 0.000 1.299 162 N HN 0.146 8.526 8.380 -0.000 0.000 0.489 163 P HA -0.149 4.271 4.420 -0.000 0.000 0.218 163 P C 1.062 178.366 177.300 0.007 0.000 1.146 163 P CA 1.101 64.195 63.100 -0.011 0.000 0.813 163 P CB 0.578 32.275 31.700 -0.004 0.000 0.778 164 K N -0.372 120.056 120.400 0.046 0.000 2.432 164 K HA 0.076 4.377 4.320 -0.030 0.000 0.196 164 K C 0.405 177.086 176.600 0.135 0.000 1.038 164 K CA 0.105 56.462 56.287 0.117 0.000 0.986 164 K CB -0.536 32.128 32.500 0.273 0.000 0.782 164 K HN 0.022 8.272 8.250 -0.000 0.000 0.485 165 V N 2.510 122.457 119.914 0.054 0.000 2.455 165 V HA 0.091 4.193 4.120 -0.030 0.000 0.273 165 V C 0.396 176.465 176.094 -0.041 0.000 1.045 165 V CA -0.433 61.870 62.300 0.005 0.000 0.976 165 V CB 1.010 32.748 31.823 -0.142 0.000 0.993 165 V HN 0.134 8.324 8.190 -0.000 0.000 0.475 166 K N 3.530 123.897 120.400 -0.056 0.000 2.090 166 K HA 0.433 4.735 4.320 -0.030 0.000 0.250 166 K C -0.145 176.414 176.600 -0.068 0.000 1.004 166 K CA -0.910 55.335 56.287 -0.070 0.000 0.919 166 K CB 0.966 33.410 32.500 -0.093 0.000 1.045 166 K HN 0.416 8.666 8.250 -0.000 0.000 0.471 167 L N 1.880 123.064 121.223 -0.066 0.000 2.628 167 L HA -0.105 4.217 4.340 -0.030 0.000 0.274 167 L C 0.821 177.645 176.870 -0.077 0.000 1.209 167 L CA 1.956 56.755 54.840 -0.068 0.000 0.930 167 L CB -0.636 41.384 42.059 -0.065 0.000 1.183 167 L HN 1.090 9.320 8.230 -0.000 0.000 0.492 168 G N 2.871 111.621 108.800 -0.083 0.000 2.179 168 G HA2 -0.152 3.790 3.960 -0.030 0.000 0.220 168 G HA3 -0.152 3.790 3.960 -0.030 0.000 0.220 168 G C 0.833 175.686 174.900 -0.079 0.000 0.990 168 G CA -0.007 45.032 45.100 -0.101 0.000 0.646 168 G HN 1.739 10.029 8.290 -0.000 0.000 0.517 169 G N -0.616 108.177 108.800 -0.012 0.000 2.298 169 G HA2 -0.178 3.763 3.960 -0.030 0.000 0.287 169 G HA3 -0.178 3.763 3.960 -0.030 0.000 0.287 169 G C 0.130 175.063 174.900 0.056 0.000 1.075 169 G CA 0.840 46.009 45.100 0.115 0.000 0.960 169 G HN 0.782 9.072 8.290 -0.000 0.000 0.502 170 R N -0.831 119.627 120.500 -0.070 0.000 2.460 170 R HA 0.659 4.981 4.340 -0.030 0.000 0.303 170 R C -0.976 175.179 176.300 -0.242 0.000 0.968 170 R CA -0.802 55.188 56.100 -0.184 0.000 0.889 170 R CB 1.786 31.979 30.300 -0.180 0.000 1.123 170 R HN 0.418 8.688 8.270 -0.000 0.000 0.455 171 Y N 0.154 120.093 120.300 -0.603 0.000 2.470 171 Y HA 0.382 4.913 4.550 -0.030 0.000 0.341 171 Y C -1.287 174.411 175.900 -0.335 0.000 1.021 171 Y CA -0.308 57.497 58.100 -0.491 0.000 1.025 171 Y CB 2.313 40.404 38.460 -0.615 0.000 1.266 171 Y HN 0.480 8.760 8.280 -0.000 0.000 0.448 172 T N 7.614 121.539 114.554 -1.048 0.000 2.921 172 T HA 0.384 4.716 4.350 -0.030 0.000 0.297 172 T C -2.951 171.248 174.700 -0.835 0.000 1.013 172 T CA -1.452 60.245 62.100 -0.671 0.000 0.990 172 T CB 1.783 70.428 68.868 -0.371 0.000 1.023 172 T HN 0.373 8.613 8.240 -0.000 0.000 0.447 173 P HA 0.149 4.569 4.420 -0.000 0.000 0.268 173 P C 0.901 178.112 177.300 -0.148 0.000 1.204 173 P CA -0.179 62.822 63.100 -0.165 0.000 0.768 173 P CB 0.376 32.107 31.700 0.052 0.000 0.842 174 M N 0.034 119.576 119.600 -0.098 0.000 2.441 174 M HA 0.125 4.587 4.480 -0.030 0.000 0.244 174 M C 0.340 176.626 176.300 -0.024 0.000 1.122 174 M CA 0.927 56.185 55.300 -0.069 0.000 1.041 174 M CB -0.109 32.456 32.600 -0.059 0.000 1.438 174 M HN 0.034 8.324 8.290 -0.000 0.000 0.484 175 D N 1.768 122.169 120.400 0.003 0.000 2.137 175 D HA 0.037 4.659 4.640 -0.030 0.000 0.202 175 D C 0.844 177.151 176.300 0.013 0.000 0.970 175 D CA 1.140 55.151 54.000 0.018 0.000 0.837 175 D CB 0.476 41.303 40.800 0.044 0.000 0.981 175 D HN 0.657 9.027 8.370 -0.000 0.000 0.475 176 c N -1.659 116.949 118.600 0.014 0.000 3.336 176 c HA 0.652 5.203 4.570 -0.030 0.000 0.339 176 c C -0.515 173.577 174.090 0.004 0.000 1.468 176 c CA -1.462 54.873 56.329 0.010 0.000 1.287 176 c CB 0.554 43.077 42.510 0.022 0.000 1.682 176 c HN 0.014 8.244 8.230 -0.000 0.000 0.451 177 I N 2.546 123.115 120.570 -0.002 0.000 2.304 177 I HA 0.411 4.563 4.170 -0.030 0.000 0.291 177 I C 0.500 176.612 176.117 -0.008 0.000 1.018 177 I CA 0.405 61.700 61.300 -0.008 0.000 1.260 177 I CB 1.434 39.424 38.000 -0.017 0.000 1.390 177 I HN 0.780 8.990 8.210 -0.000 0.000 0.475 178 S N 7.990 123.694 115.700 0.007 0.000 2.525 178 S HA 0.441 4.893 4.470 -0.030 0.000 0.278 178 S C -1.264 173.300 174.600 -0.060 0.000 1.234 178 S CA -1.322 56.879 58.200 0.002 0.000 1.058 178 S CB 1.107 64.365 63.200 0.096 0.000 0.983 178 S HN 0.515 8.825 8.310 -0.000 0.000 0.495 179 P HA 0.115 4.535 4.420 -0.000 0.000 0.251 179 P C -0.554 176.604 177.300 -0.237 0.000 1.223 179 P CA 0.193 63.144 63.100 -0.248 0.000 0.796 179 P CB 0.002 31.497 31.700 -0.342 0.000 1.068 180 H N 1.490 120.587 119.070 0.045 0.000 2.787 180 H HA 0.304 4.842 4.556 -0.030 0.000 0.275 180 H C 0.090 175.489 175.328 0.119 0.000 1.183 180 H CA -0.271 55.812 56.048 0.058 0.000 1.290 180 H CB 0.471 30.262 29.762 0.048 0.000 1.438 180 H HN 0.093 8.373 8.280 -0.000 0.000 0.487 181 K N 3.195 123.726 120.400 0.217 0.000 2.244 181 K HA 0.309 4.611 4.320 -0.030 0.000 0.263 181 K C -0.439 176.357 176.600 0.326 0.000 1.103 181 K CA -0.417 56.043 56.287 0.289 0.000 0.966 181 K CB 1.130 33.744 32.500 0.190 0.000 1.429 181 K HN 0.187 8.437 8.250 -0.000 0.000 0.434 182 V N 2.174 122.288 119.914 0.334 0.000 2.394 182 V HA 0.425 4.526 4.120 -0.030 0.000 0.282 182 V C 0.091 176.190 176.094 0.009 0.000 1.031 182 V CA -1.001 61.379 62.300 0.133 0.000 0.881 182 V CB 1.333 33.242 31.823 0.143 0.000 0.982 182 V HN 0.720 8.910 8.190 -0.000 0.000 0.451 183 A N 6.506 129.009 122.820 -0.529 0.000 2.260 183 A HA 0.789 5.090 4.320 -0.030 0.000 0.314 183 A C -0.414 177.026 177.584 -0.241 0.000 1.257 183 A CA -0.476 51.157 52.037 -0.672 0.000 0.871 183 A CB 0.243 18.422 19.000 -1.368 0.000 1.166 183 A HN 0.806 8.956 8.150 -0.000 0.000 0.522 184 I N 4.314 124.908 120.570 0.039 0.000 2.312 184 I HA 0.245 4.397 4.170 -0.030 0.000 0.290 184 I C -0.640 175.531 176.117 0.090 0.000 1.008 184 I CA -0.424 60.923 61.300 0.077 0.000 1.226 184 I CB 0.962 39.093 38.000 0.219 0.000 1.371 184 I HN 0.402 8.612 8.210 -0.000 0.000 0.468 185 I N 7.798 128.372 120.570 0.007 0.000 2.339 185 I HA 0.415 4.566 4.170 -0.030 0.000 0.290 185 I C 0.002 176.180 176.117 0.101 0.000 0.994 185 I CA -0.507 60.842 61.300 0.082 0.000 1.191 185 I CB 1.316 39.385 38.000 0.116 0.000 1.343 185 I HN 0.436 8.646 8.210 -0.000 0.000 0.458 186 I N 8.419 129.010 120.570 0.035 0.000 2.382 186 I HA 0.286 4.438 4.170 -0.030 0.000 0.285 186 I C -2.208 173.983 176.117 0.123 0.000 1.007 186 I CA -1.861 59.434 61.300 -0.010 0.000 1.142 186 I CB 2.142 39.977 38.000 -0.275 0.000 1.289 186 I HN 0.277 8.487 8.210 -0.000 0.000 0.453 187 P HA 0.178 4.598 4.420 -0.000 0.000 0.276 187 P C -1.107 176.454 177.300 0.436 0.000 1.230 187 P CA 0.141 63.419 63.100 0.295 0.000 0.776 187 P CB 0.989 32.873 31.700 0.308 0.000 0.888 188 F N 2.975 123.097 119.950 0.287 0.000 2.641 188 F HA 0.623 5.132 4.527 -0.030 0.000 0.308 188 F C -1.027 174.956 175.800 0.305 0.000 1.105 188 F CA -0.811 57.323 58.000 0.224 0.000 0.964 188 F CB 2.242 41.287 39.000 0.075 0.000 1.294 188 F HN 0.339 8.639 8.300 -0.000 0.000 0.442 189 R N 4.642 124.838 120.500 -0.507 0.000 3.008 189 R HA 0.213 4.534 4.340 -0.030 0.000 0.284 189 R C -1.311 174.581 176.300 -0.680 0.000 1.187 189 R CA -0.376 55.508 56.100 -0.360 0.000 1.139 189 R CB 0.478 30.851 30.300 0.122 0.000 1.273 189 R HN 0.849 9.119 8.270 -0.000 0.000 0.410 190 N N 3.249 121.564 118.700 -0.642 0.000 2.738 190 N HA -0.170 4.552 4.740 -0.030 0.000 0.249 190 N C -0.769 174.421 175.510 -0.533 0.000 1.047 190 N CA 0.751 53.546 53.050 -0.426 0.000 0.707 190 N CB -0.318 38.024 38.487 -0.242 0.000 0.937 190 N HN 0.689 9.069 8.380 -0.000 0.000 0.545 191 R N 0.146 120.176 120.500 -0.785 0.000 2.668 191 R HA 0.135 4.457 4.340 -0.030 0.000 0.435 191 R C 1.366 177.648 176.300 -0.030 0.000 1.059 191 R CA -0.373 55.438 56.100 -0.482 0.000 1.073 191 R CB 0.429 30.459 30.300 -0.451 0.000 1.401 191 R HN 0.238 8.508 8.270 -0.000 0.000 0.590 192 Q N 1.254 121.123 119.800 0.114 0.000 2.096 192 Q HA -0.154 4.168 4.340 -0.030 0.000 0.204 192 Q C 1.352 177.439 176.000 0.145 0.000 0.982 192 Q CA 1.815 57.767 55.803 0.248 0.000 0.850 192 Q CB 0.281 29.134 28.738 0.192 0.000 0.901 192 Q HN 0.122 8.392 8.270 -0.000 0.000 0.422 193 E N -0.722 119.520 120.200 0.070 0.000 2.110 193 E HA -0.183 4.149 4.350 -0.030 0.000 0.193 193 E C 1.947 178.740 176.600 0.322 0.000 0.988 193 E CA 1.135 57.615 56.400 0.135 0.000 0.804 193 E CB -0.276 29.485 29.700 0.101 0.000 0.745 193 E HN 0.544 8.904 8.360 -0.000 0.000 0.458 194 H N 0.559 119.735 119.070 0.176 0.000 2.326 194 H HA 0.007 4.544 4.556 -0.031 0.000 0.301 194 H C 2.253 177.753 175.328 0.288 0.000 1.081 194 H CA 0.565 56.738 56.048 0.207 0.000 1.334 194 H CB -0.645 29.166 29.762 0.081 0.000 1.385 194 H HN 0.084 8.364 8.280 -0.000 0.000 0.504 195 L N 0.709 122.149 121.223 0.362 0.000 2.081 195 L HA -0.259 4.063 4.340 -0.030 0.000 0.212 195 L C 2.125 179.151 176.870 0.260 0.000 1.080 195 L CA 1.572 56.558 54.840 0.243 0.000 0.754 195 L CB -0.188 41.907 42.059 0.060 0.000 0.893 195 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 196 K N -1.008 119.512 120.400 0.199 0.000 2.032 196 K HA -0.233 4.068 4.320 -0.030 0.000 0.209 196 K C 1.958 178.652 176.600 0.158 0.000 1.048 196 K CA 1.893 58.242 56.287 0.103 0.000 0.927 196 K CB -0.364 32.110 32.500 -0.044 0.000 0.712 196 K HN 0.291 8.541 8.250 -0.000 0.000 0.441 197 Y N -0.938 119.559 120.300 0.329 0.000 2.242 197 Y HA -0.242 4.290 4.550 -0.030 0.000 0.291 197 Y C 2.274 178.500 175.900 0.545 0.000 1.137 197 Y CA 1.068 59.455 58.100 0.478 0.000 1.181 197 Y CB -0.231 38.555 38.460 0.542 0.000 0.989 197 Y HN 0.253 8.533 8.280 -0.000 0.000 0.527 198 W N 0.481 122.027 121.300 0.409 0.000 2.355 198 W HA -0.212 4.429 4.660 -0.031 0.000 0.309 198 W C 1.774 178.407 176.519 0.191 0.000 1.206 198 W CA 1.801 59.309 57.345 0.272 0.000 1.284 198 W CB -0.377 29.179 29.460 0.160 0.000 1.145 198 W HN -0.041 8.139 8.180 -0.000 0.000 0.502 199 L N -0.841 120.697 121.223 0.525 0.000 2.056 199 L HA -0.250 4.072 4.340 -0.030 0.000 0.207 199 L C 2.429 179.455 176.870 0.259 0.000 1.078 199 L CA 1.558 56.644 54.840 0.409 0.000 0.749 199 L CB -1.446 40.872 42.059 0.430 0.000 0.901 199 L HN 0.066 8.296 8.230 -0.000 0.000 0.433 200 Y N -0.043 120.309 120.300 0.085 0.000 2.114 200 Y HA -0.340 4.191 4.550 -0.031 0.000 0.282 200 Y C 2.308 178.098 175.900 -0.183 0.000 1.165 200 Y CA 1.614 59.663 58.100 -0.087 0.000 1.148 200 Y CB -0.568 37.762 38.460 -0.216 0.000 0.972 200 Y HN 0.070 8.350 8.280 -0.000 0.000 0.504 201 Y N -1.567 118.609 120.300 -0.207 0.000 2.231 201 Y HA -0.121 4.412 4.550 -0.030 0.000 0.294 201 Y C 2.373 178.004 175.900 -0.448 0.000 1.120 201 Y CA 0.558 58.422 58.100 -0.393 0.000 1.141 201 Y CB -0.225 38.104 38.460 -0.218 0.000 1.022 201 Y HN 0.056 8.336 8.280 -0.000 0.000 0.523 202 L N -0.526 120.429 121.223 -0.448 0.000 2.109 202 L HA -0.217 4.104 4.340 -0.030 0.000 0.207 202 L C 2.260 178.823 176.870 -0.512 0.000 1.086 202 L CA 1.781 56.190 54.840 -0.718 0.000 0.760 202 L CB -1.396 39.785 42.059 -1.463 0.000 0.910 202 L HN 0.400 8.630 8.230 -0.000 0.000 0.437 203 H N -0.007 118.898 119.070 -0.275 0.000 2.319 203 H HA -0.118 4.420 4.556 -0.030 0.000 0.297 203 H C -0.304 174.901 175.328 -0.204 0.000 1.097 203 H CA 1.866 57.828 56.048 -0.143 0.000 1.285 203 H CB -1.332 28.429 29.762 -0.002 0.000 1.368 203 H HN 0.273 8.553 8.280 -0.000 0.000 0.495 204 P HA -0.083 4.337 4.420 -0.000 0.000 0.216 204 P C 1.883 179.062 177.300 -0.201 0.000 1.153 204 P CA 0.975 63.980 63.100 -0.157 0.000 0.844 204 P CB -0.080 31.509 31.700 -0.184 0.000 0.787 205 I N -1.131 119.286 120.570 -0.255 0.000 2.127 205 I HA -0.254 3.898 4.170 -0.030 0.000 0.241 205 I C 2.233 178.170 176.117 -0.299 0.000 1.075 205 I CA 1.530 62.661 61.300 -0.280 0.000 1.334 205 I CB -0.746 37.035 38.000 -0.364 0.000 1.040 205 I HN -0.119 8.091 8.210 -0.000 0.000 0.405 206 L N -0.163 120.819 121.223 -0.403 0.000 2.083 206 L HA -0.238 4.084 4.340 -0.030 0.000 0.209 206 L C 2.596 179.327 176.870 -0.232 0.000 1.083 206 L CA 1.360 55.934 54.840 -0.444 0.000 0.752 206 L CB -0.671 40.826 42.059 -0.936 0.000 0.899 206 L HN 0.307 8.537 8.230 -0.000 0.000 0.433 207 Q N -0.336 119.323 119.800 -0.235 0.000 2.119 207 Q HA -0.184 4.138 4.340 -0.030 0.000 0.201 207 Q C 2.397 178.318 176.000 -0.132 0.000 0.972 207 Q CA 1.251 56.854 55.803 -0.332 0.000 0.847 207 Q CB -0.073 28.347 28.738 -0.530 0.000 0.903 207 Q HN 0.374 8.644 8.270 -0.000 0.000 0.433 208 R N 0.536 120.958 120.500 -0.130 0.000 2.096 208 R HA -0.134 4.188 4.340 -0.030 0.000 0.235 208 R C 1.740 178.008 176.300 -0.052 0.000 1.127 208 R CA 1.226 57.275 56.100 -0.085 0.000 0.968 208 R CB 0.066 30.299 30.300 -0.112 0.000 0.861 208 R HN 0.349 8.619 8.270 -0.000 0.000 0.440 209 Q N 0.356 120.119 119.800 -0.061 0.000 2.466 209 Q HA -0.045 4.277 4.340 -0.030 0.000 0.210 209 Q C -0.387 175.654 176.000 0.067 0.000 0.961 209 Q CA 0.157 55.949 55.803 -0.018 0.000 0.953 209 Q CB 0.369 29.081 28.738 -0.042 0.000 1.011 209 Q HN 0.273 8.543 8.270 -0.000 0.000 0.516 210 Q N 0.113 119.979 119.800 0.110 0.000 2.451 210 Q HA -0.201 4.120 4.340 -0.030 0.000 0.305 210 Q C -0.912 175.246 176.000 0.262 0.000 1.345 210 Q CA 0.357 56.281 55.803 0.202 0.000 0.854 210 Q CB -1.997 26.826 28.738 0.142 0.000 1.162 210 Q HN 0.431 8.701 8.270 -0.000 0.000 0.440 211 L N -0.080 121.340 121.223 0.328 0.000 2.360 211 L HA 0.448 4.770 4.340 -0.030 0.000 0.271 211 L C 0.476 177.648 176.870 0.504 0.000 1.057 211 L CA -0.831 54.236 54.840 0.378 0.000 0.803 211 L CB 0.856 43.100 42.059 0.310 0.000 1.207 211 L HN -0.038 8.192 8.230 -0.000 0.000 0.445 212 D N 1.569 122.187 120.400 0.364 0.000 2.485 212 D HA 0.254 4.875 4.640 -0.030 0.000 0.221 212 D C -0.988 175.508 176.300 0.326 0.000 1.112 212 D CA -0.148 53.989 54.000 0.229 0.000 0.911 212 D CB 0.075 40.973 40.800 0.162 0.000 1.019 212 D HN 0.309 8.679 8.370 -0.000 0.000 0.516 213 Y N 0.563 121.005 120.300 0.235 0.000 2.659 213 Y HA 0.887 5.419 4.550 -0.030 0.000 0.333 213 Y C -0.160 175.892 175.900 0.254 0.000 1.064 213 Y CA -1.424 56.833 58.100 0.261 0.000 1.141 213 Y CB 1.379 39.968 38.460 0.216 0.000 1.316 213 Y HN 0.179 8.459 8.280 -0.000 0.000 0.509 214 G N 1.595 110.665 108.800 0.451 0.000 2.719 214 G HA2 0.587 4.529 3.960 -0.030 0.000 0.298 214 G HA3 0.587 4.529 3.960 -0.030 0.000 0.298 214 G C -2.039 173.005 174.900 0.240 0.000 1.411 214 G CA -0.904 44.358 45.100 0.269 0.000 0.991 214 G HN 0.523 8.813 8.290 -0.000 0.000 0.509 215 I N 1.289 121.891 120.570 0.052 0.000 2.359 215 I HA 0.420 4.572 4.170 -0.030 0.000 0.294 215 I C -1.054 174.882 176.117 -0.302 0.000 0.987 215 I CA -1.459 59.868 61.300 0.046 0.000 1.225 215 I CB 0.924 39.046 38.000 0.203 0.000 1.366 215 I HN 0.378 8.588 8.210 -0.000 0.000 0.466 216 Y N 4.675 124.999 120.300 0.041 0.000 2.326 216 Y HA 0.451 4.983 4.550 -0.031 0.000 0.329 216 Y C -0.035 175.846 175.900 -0.032 0.000 0.973 216 Y CA -0.904 57.214 58.100 0.030 0.000 1.162 216 Y CB 1.967 40.434 38.460 0.011 0.000 1.147 216 Y HN 0.185 8.465 8.280 -0.000 0.000 0.456 217 V N 5.652 125.606 119.914 0.067 0.000 2.350 217 V HA 0.320 4.421 4.120 -0.030 0.000 0.276 217 V C -0.225 175.890 176.094 0.035 0.000 1.028 217 V CA -0.640 61.620 62.300 -0.067 0.000 0.860 217 V CB 0.902 32.523 31.823 -0.337 0.000 0.990 217 V HN 0.509 8.699 8.190 -0.000 0.000 0.453 218 I N 4.481 125.107 120.570 0.093 0.000 2.287 218 I HA 0.289 4.440 4.170 -0.030 0.000 0.290 218 I C 0.223 176.451 176.117 0.185 0.000 1.069 218 I CA -0.287 61.081 61.300 0.114 0.000 1.237 218 I CB 0.550 38.603 38.000 0.087 0.000 1.418 218 I HN 0.578 8.788 8.210 -0.000 0.000 0.481 219 N N 5.518 124.334 118.700 0.194 0.000 2.419 219 N HA 0.081 4.802 4.740 -0.030 0.000 0.264 219 N C -0.206 175.431 175.510 0.212 0.000 1.031 219 N CA -0.194 53.051 53.050 0.326 0.000 0.951 219 N CB 0.958 39.639 38.487 0.322 0.000 1.101 219 N HN 0.523 8.903 8.380 -0.000 0.000 0.488 220 Q N 2.923 122.847 119.800 0.207 0.000 2.293 220 Q HA 0.432 4.754 4.340 -0.030 0.000 0.263 220 Q C -0.636 175.440 176.000 0.128 0.000 1.002 220 Q CA -0.739 55.127 55.803 0.105 0.000 0.910 220 Q CB 0.596 29.348 28.738 0.023 0.000 1.185 220 Q HN 0.732 9.002 8.270 -0.000 0.000 0.401 221 A N 3.441 126.321 122.820 0.100 0.000 2.304 221 A HA 0.740 5.042 4.320 -0.030 0.000 0.271 221 A C 0.529 178.161 177.584 0.081 0.000 1.091 221 A CA 0.508 52.603 52.037 0.097 0.000 0.812 221 A CB 0.190 19.243 19.000 0.088 0.000 1.056 221 A HN 1.183 9.333 8.150 -0.000 0.000 0.489 222 G N 0.282 109.128 108.800 0.076 0.000 2.760 222 G HA2 -0.043 3.899 3.960 -0.030 0.000 0.246 222 G HA3 -0.043 3.899 3.960 -0.030 0.000 0.246 222 G C -0.274 174.667 174.900 0.068 0.000 1.359 222 G CA 0.308 45.446 45.100 0.065 0.000 0.861 222 G HN 0.890 9.180 8.290 -0.000 0.000 0.541 223 E N -0.135 120.101 120.200 0.059 0.000 2.734 223 E HA 0.414 4.746 4.350 -0.030 0.000 0.211 223 E C 0.680 177.317 176.600 0.062 0.000 0.991 223 E CA 0.279 56.715 56.400 0.060 0.000 1.065 223 E CB 0.851 30.578 29.700 0.045 0.000 1.047 223 E HN 0.539 8.899 8.360 -0.000 0.000 0.470 224 S N 0.743 116.482 115.700 0.064 0.000 2.655 224 S HA 0.276 4.728 4.470 -0.030 0.000 0.265 224 S C 0.457 175.109 174.600 0.086 0.000 1.240 224 S CA -0.678 57.558 58.200 0.061 0.000 0.986 224 S CB 0.451 63.680 63.200 0.048 0.000 0.985 224 S HN 0.189 8.499 8.310 -0.000 0.000 0.562 225 M N 1.767 121.417 119.600 0.083 0.000 2.248 225 M HA 0.093 4.555 4.480 -0.030 0.000 0.343 225 M C -0.202 176.186 176.300 0.147 0.000 1.243 225 M CA 0.120 55.490 55.300 0.117 0.000 1.025 225 M CB -0.998 31.659 32.600 0.094 0.000 1.759 225 M HN 0.577 8.867 8.290 -0.000 0.000 0.452 226 F N 3.932 123.910 119.950 0.046 0.000 2.529 226 F HA 0.099 4.607 4.527 -0.031 0.000 0.365 226 F C 0.705 176.538 175.800 0.055 0.000 1.102 226 F CA 0.297 58.324 58.000 0.045 0.000 1.271 226 F CB 0.317 39.342 39.000 0.042 0.000 1.120 226 F HN 0.556 8.856 8.300 -0.000 0.000 0.579 227 N N 5.813 124.207 118.700 -0.510 0.000 2.804 227 N HA 0.148 4.870 4.740 -0.030 0.000 0.251 227 N C 0.869 176.120 175.510 -0.431 0.000 1.250 227 N CA -0.345 52.534 53.050 -0.285 0.000 0.820 227 N CB 0.361 38.755 38.487 -0.156 0.000 1.156 227 N HN 0.876 9.256 8.380 -0.000 0.000 0.512 228 R N 2.259 122.610 120.500 -0.249 0.000 2.097 228 R HA -0.172 4.150 4.340 -0.030 0.000 0.236 228 R C 1.575 177.849 176.300 -0.044 0.000 1.135 228 R CA 2.305 58.371 56.100 -0.057 0.000 0.934 228 R CB -0.187 30.216 30.300 0.172 0.000 0.846 228 R HN 0.451 8.721 8.270 -0.000 0.000 0.431 229 A N 0.881 123.672 122.820 -0.047 0.000 1.940 229 A HA -0.222 4.080 4.320 -0.030 0.000 0.219 229 A C 2.139 179.763 177.584 0.067 0.000 1.176 229 A CA 1.820 53.851 52.037 -0.010 0.000 0.631 229 A CB -0.536 18.413 19.000 -0.086 0.000 0.814 229 A HN 0.467 8.617 8.150 -0.000 0.000 0.446 230 K N -0.436 119.970 120.400 0.010 0.000 2.097 230 K HA -0.006 4.296 4.320 -0.030 0.000 0.205 230 K C 1.804 178.391 176.600 -0.022 0.000 1.050 230 K CA 1.084 57.377 56.287 0.010 0.000 0.938 230 K CB -0.272 32.221 32.500 -0.012 0.000 0.718 230 K HN 0.495 8.745 8.250 -0.000 0.000 0.442 231 L N 0.867 122.053 121.223 -0.062 0.000 2.093 231 L HA -0.172 4.150 4.340 -0.030 0.000 0.208 231 L C 2.208 179.105 176.870 0.044 0.000 1.085 231 L CA 0.852 55.659 54.840 -0.055 0.000 0.755 231 L CB -0.332 41.678 42.059 -0.082 0.000 0.904 231 L HN 0.212 8.442 8.230 -0.000 0.000 0.435 232 L N -0.587 120.715 121.223 0.131 0.000 2.093 232 L HA -0.178 4.144 4.340 -0.030 0.000 0.208 232 L C 2.303 179.306 176.870 0.222 0.000 1.085 232 L CA 0.895 55.901 54.840 0.276 0.000 0.755 232 L CB -0.697 41.555 42.059 0.322 0.000 0.904 232 L HN 0.342 8.572 8.230 -0.000 0.000 0.435 233 N N 0.048 118.834 118.700 0.143 0.000 2.166 233 N HA -0.138 4.584 4.740 -0.030 0.000 0.186 233 N C 1.901 177.460 175.510 0.081 0.000 1.019 233 N CA 1.097 54.224 53.050 0.129 0.000 0.856 233 N CB -0.357 38.190 38.487 0.099 0.000 0.993 233 N HN 0.092 8.472 8.380 -0.000 0.000 0.426 234 V N 0.662 120.534 119.914 -0.070 0.000 2.343 234 V HA -0.155 3.947 4.120 -0.030 0.000 0.247 234 V C 2.409 178.429 176.094 -0.123 0.000 1.051 234 V CA 1.976 64.099 62.300 -0.295 0.000 1.036 234 V CB -1.211 30.305 31.823 -0.512 0.000 0.654 234 V HN 0.335 8.525 8.190 -0.000 0.000 0.451 235 G N -0.678 108.111 108.800 -0.017 0.000 2.446 235 G HA2 -0.336 3.606 3.960 -0.030 0.000 0.217 235 G HA3 -0.336 3.606 3.960 -0.030 0.000 0.217 235 G C 1.553 176.402 174.900 -0.086 0.000 1.168 235 G CA 1.119 46.211 45.100 -0.014 0.000 0.771 235 G HN 0.486 8.776 8.290 -0.000 0.000 0.551 236 F N 1.577 121.399 119.950 -0.213 0.000 2.069 236 F HA -0.052 4.457 4.527 -0.030 0.000 0.298 236 F C 2.715 178.355 175.800 -0.266 0.000 1.113 236 F CA 2.177 59.884 58.000 -0.488 0.000 1.214 236 F CB -0.111 38.344 39.000 -0.908 0.000 0.978 236 F HN 0.006 8.306 8.300 -0.000 0.000 0.474 237 K N -0.165 120.191 120.400 -0.072 0.000 2.057 237 K HA -0.148 4.154 4.320 -0.030 0.000 0.206 237 K C 1.961 178.520 176.600 -0.068 0.000 1.050 237 K CA 1.467 57.716 56.287 -0.063 0.000 0.935 237 K CB -0.258 32.356 32.500 0.190 0.000 0.715 237 K HN 0.332 8.582 8.250 -0.000 0.000 0.439 238 E N 0.376 120.547 120.200 -0.047 0.000 2.152 238 E HA -0.093 4.239 4.350 -0.030 0.000 0.192 238 E C 1.918 178.449 176.600 -0.115 0.000 0.983 238 E CA 0.724 57.112 56.400 -0.020 0.000 0.818 238 E CB -0.013 29.699 29.700 0.021 0.000 0.758 238 E HN 0.261 8.621 8.360 -0.000 0.000 0.467 239 A N 1.191 123.814 122.820 -0.328 0.000 1.929 239 A HA -0.069 4.233 4.320 -0.030 0.000 0.216 239 A C 2.275 179.880 177.584 0.035 0.000 1.176 239 A CA 0.656 52.409 52.037 -0.473 0.000 0.628 239 A CB -0.642 17.783 19.000 -0.958 0.000 0.816 239 A HN 0.173 8.323 8.150 -0.000 0.000 0.444 240 L N -0.653 120.552 121.223 -0.030 0.000 2.447 240 L HA -0.180 4.142 4.340 -0.030 0.000 0.225 240 L C 2.220 179.113 176.870 0.038 0.000 1.148 240 L CA 1.145 56.000 54.840 0.025 0.000 0.808 240 L CB -0.283 41.672 42.059 -0.173 0.000 0.928 240 L HN 0.380 8.610 8.230 -0.000 0.000 0.448 241 K N -0.616 119.811 120.400 0.046 0.000 2.296 241 K HA -0.079 4.222 4.320 -0.030 0.000 0.200 241 K C 1.254 177.912 176.600 0.097 0.000 1.048 241 K CA 0.743 57.066 56.287 0.061 0.000 0.966 241 K CB 0.098 32.638 32.500 0.066 0.000 0.754 241 K HN 0.231 8.481 8.250 -0.000 0.000 0.466 242 D N -0.913 119.587 120.400 0.166 0.000 2.201 242 D HA -0.020 4.602 4.640 -0.030 0.000 0.209 242 D C -0.178 176.231 176.300 0.182 0.000 0.961 242 D CA 1.052 55.173 54.000 0.201 0.000 0.861 242 D CB 0.282 41.289 40.800 0.346 0.000 0.997 242 D HN -0.001 8.369 8.370 -0.000 0.000 0.486 243 Y N -0.298 119.940 120.300 -0.103 0.000 2.624 243 Y HA 0.200 4.731 4.550 -0.031 0.000 0.334 243 Y C -1.417 174.260 175.900 -0.371 0.000 1.155 243 Y CA -1.366 56.525 58.100 -0.348 0.000 1.046 243 Y CB 1.564 39.603 38.460 -0.702 0.000 1.316 243 Y HN -0.359 7.921 8.280 -0.000 0.000 0.457 244 D N 2.525 122.454 120.400 -0.785 0.000 2.767 244 D HA 0.092 4.714 4.640 -0.030 0.000 0.231 244 D C -0.890 175.127 176.300 -0.472 0.000 1.105 244 D CA 0.450 54.132 54.000 -0.529 0.000 1.024 244 D CB -1.104 39.392 40.800 -0.507 0.000 1.123 244 D HN 0.353 8.723 8.370 -0.000 0.000 0.470 245 Y N 0.845 121.045 120.300 -0.166 0.000 2.480 245 Y HA 0.040 4.572 4.550 -0.030 0.000 0.338 245 Y C 1.790 177.589 175.900 -0.168 0.000 1.220 245 Y CA -0.114 57.881 58.100 -0.175 0.000 1.430 245 Y CB 0.580 38.824 38.460 -0.359 0.000 1.311 245 Y HN 0.248 8.528 8.280 -0.000 0.000 0.575 246 N N -0.289 118.418 118.700 0.012 0.000 2.159 246 N HA 0.126 4.847 4.740 -0.030 0.000 0.217 246 N C -0.952 174.595 175.510 0.062 0.000 1.223 246 N CA -0.186 52.906 53.050 0.070 0.000 0.896 246 N CB 0.517 39.045 38.487 0.069 0.000 1.064 246 N HN 0.393 8.773 8.380 -0.000 0.000 0.518 247 c N 0.324 118.820 118.600 -0.174 0.000 2.686 247 c HA 0.746 5.298 4.570 -0.030 0.000 0.318 247 c C -1.985 171.757 174.090 -0.580 0.000 1.160 247 c CA -0.994 55.260 56.329 -0.125 0.000 1.396 247 c CB -0.150 42.365 42.510 0.009 0.000 1.924 247 c HN 0.257 8.487 8.230 -0.000 0.000 0.471 248 F N 4.673 124.585 119.950 -0.063 0.000 2.499 248 F HA 0.549 5.057 4.527 -0.031 0.000 0.333 248 F C 0.086 175.614 175.800 -0.454 0.000 1.138 248 F CA -0.691 57.091 58.000 -0.364 0.000 0.945 248 F CB 1.885 40.563 39.000 -0.537 0.000 1.181 248 F HN 0.330 8.630 8.300 -0.000 0.000 0.435 249 V N 4.373 124.105 119.914 -0.303 0.000 2.394 249 V HA 0.339 4.441 4.120 -0.030 0.000 0.282 249 V C -0.574 175.351 176.094 -0.282 0.000 1.031 249 V CA -0.737 61.462 62.300 -0.168 0.000 0.881 249 V CB 1.021 32.841 31.823 -0.005 0.000 0.982 249 V HN 0.465 8.655 8.190 -0.000 0.000 0.451 250 F N 3.221 123.265 119.950 0.158 0.000 2.361 250 F HA 0.563 5.072 4.527 -0.030 0.000 0.364 250 F C 0.519 176.377 175.800 0.097 0.000 1.117 250 F CA -0.166 57.928 58.000 0.158 0.000 1.071 250 F CB 1.782 40.920 39.000 0.230 0.000 1.188 250 F HN 0.426 8.726 8.300 -0.000 0.000 0.464 251 S N 2.835 118.681 115.700 0.244 0.000 2.561 251 S HA 0.381 4.833 4.470 -0.030 0.000 0.303 251 S C -0.758 173.936 174.600 0.155 0.000 1.110 251 S CA -0.983 57.351 58.200 0.223 0.000 1.034 251 S CB 0.615 64.041 63.200 0.377 0.000 1.010 251 S HN 0.472 8.782 8.310 -0.000 0.000 0.482 252 D N 2.745 123.245 120.400 0.168 0.000 2.378 252 D HA 0.010 4.632 4.640 -0.030 0.000 0.238 252 D C 1.341 177.703 176.300 0.103 0.000 1.180 252 D CA -0.114 53.967 54.000 0.135 0.000 0.895 252 D CB 1.173 42.061 40.800 0.147 0.000 1.192 252 D HN 0.327 8.697 8.370 -0.000 0.000 0.438 253 V N 1.173 121.117 119.914 0.050 0.000 2.970 253 V HA -0.173 3.929 4.120 -0.030 0.000 0.260 253 V C 0.781 176.991 176.094 0.194 0.000 1.100 253 V CA 1.586 63.892 62.300 0.010 0.000 1.122 253 V CB -0.319 31.569 31.823 0.109 0.000 0.721 253 V HN 0.503 8.693 8.190 -0.000 0.000 0.483 254 D N -0.939 119.540 120.400 0.131 0.000 2.424 254 D HA 0.161 4.783 4.640 -0.030 0.000 0.220 254 D C 0.078 176.399 176.300 0.034 0.000 1.150 254 D CA -0.080 53.904 54.000 -0.026 0.000 0.831 254 D CB -0.281 40.383 40.800 -0.227 0.000 0.981 254 D HN 0.411 8.781 8.370 -0.000 0.000 0.500 255 L N 0.802 122.160 121.223 0.224 0.000 2.333 255 L HA 0.478 4.800 4.340 -0.030 0.000 0.280 255 L C -0.636 176.358 176.870 0.207 0.000 1.004 255 L CA -0.936 54.017 54.840 0.188 0.000 0.820 255 L CB 2.064 44.243 42.059 0.199 0.000 1.247 255 L HN -0.092 8.138 8.230 -0.000 0.000 0.416 256 I N 4.536 125.170 120.570 0.107 0.000 2.436 256 I HA 0.404 4.556 4.170 -0.030 0.000 0.289 256 I C -2.287 173.816 176.117 -0.024 0.000 1.010 256 I CA -2.255 59.032 61.300 -0.021 0.000 1.098 256 I CB 1.925 39.864 38.000 -0.101 0.000 1.266 256 I HN 0.306 8.516 8.210 -0.000 0.000 0.434 257 P HA 0.300 4.720 4.420 -0.000 0.000 0.275 257 P C -0.046 177.219 177.300 -0.059 0.000 1.228 257 P CA -0.370 62.737 63.100 0.013 0.000 0.786 257 P CB 1.326 33.068 31.700 0.069 0.000 0.927 258 M N 0.505 120.098 119.600 -0.012 0.000 2.428 258 M HA 0.136 4.598 4.480 -0.030 0.000 0.239 258 M C 0.674 176.959 176.300 -0.025 0.000 1.121 258 M CA 0.407 55.684 55.300 -0.038 0.000 1.019 258 M CB 0.024 32.624 32.600 0.001 0.000 1.485 258 M HN 0.316 8.606 8.290 -0.000 0.000 0.484 259 N N 0.982 119.685 118.700 0.004 0.000 2.430 259 N HA 0.062 4.784 4.740 -0.030 0.000 0.290 259 N C -0.854 174.684 175.510 0.046 0.000 1.063 259 N CA -0.131 52.941 53.050 0.037 0.000 0.883 259 N CB 1.418 39.940 38.487 0.059 0.000 1.465 259 N HN 0.057 8.437 8.380 -0.000 0.000 0.493 260 D N 1.650 122.059 120.400 0.016 0.000 2.371 260 D HA -0.066 4.555 4.640 -0.030 0.000 0.234 260 D C 0.550 176.825 176.300 -0.042 0.000 1.049 260 D CA 0.804 54.776 54.000 -0.047 0.000 0.907 260 D CB -0.210 40.521 40.800 -0.115 0.000 0.891 260 D HN 0.559 8.929 8.370 -0.000 0.000 0.531 261 H N -0.598 118.479 119.070 0.012 0.000 2.551 261 H HA 0.127 4.665 4.556 -0.031 0.000 0.266 261 H C 0.299 175.666 175.328 0.065 0.000 0.977 261 H CA 0.276 56.345 56.048 0.035 0.000 1.163 261 H CB -0.038 29.740 29.762 0.026 0.000 1.381 261 H HN -0.004 8.276 8.280 -0.000 0.000 0.581 262 N N 1.535 120.336 118.700 0.168 0.000 2.807 262 N HA -0.028 4.694 4.740 -0.030 0.000 0.259 262 N C -0.872 174.774 175.510 0.226 0.000 1.149 262 N CA -0.047 53.099 53.050 0.160 0.000 1.042 262 N CB -0.126 38.446 38.487 0.142 0.000 1.367 262 N HN 0.054 8.434 8.380 -0.000 0.000 0.516 263 T N 3.403 118.089 114.554 0.221 0.000 2.867 263 T HA -0.035 4.297 4.350 -0.030 0.000 0.297 263 T C 0.263 175.140 174.700 0.294 0.000 0.989 263 T CA 0.291 62.527 62.100 0.228 0.000 1.159 263 T CB 0.064 69.039 68.868 0.178 0.000 0.928 263 T HN 0.229 8.469 8.240 -0.000 0.000 0.538 264 Y N 4.932 125.233 120.300 0.001 0.000 2.724 264 Y HA 0.305 4.837 4.550 -0.030 0.000 0.354 264 Y C 0.994 176.886 175.900 -0.014 0.000 1.270 264 Y CA -0.924 57.178 58.100 0.003 0.000 1.902 264 Y CB -0.812 37.618 38.460 -0.049 0.000 1.981 264 Y HN 0.617 8.897 8.280 -0.000 0.000 0.428 265 R N -1.677 118.868 120.500 0.076 0.000 2.870 265 R HA 0.759 5.081 4.340 -0.030 0.000 0.262 265 R C -1.505 174.815 176.300 0.033 0.000 1.112 265 R CA -0.761 55.299 56.100 -0.066 0.000 0.976 265 R CB 0.091 30.125 30.300 -0.444 0.000 1.261 265 R HN 0.086 8.356 8.270 -0.000 0.000 0.453 266 c N 0.422 118.996 118.600 -0.045 0.000 2.364 266 c HA 0.740 5.292 4.570 -0.030 0.000 0.356 266 c C -0.486 173.563 174.090 -0.068 0.000 1.201 266 c CA -0.195 56.205 56.329 0.119 0.000 2.227 266 c CB -0.277 42.326 42.510 0.155 0.000 2.387 266 c HN 0.531 8.761 8.230 -0.000 0.000 0.546 267 F N 0.207 120.219 119.950 0.104 0.000 2.712 267 F HA 0.377 4.886 4.527 -0.029 0.000 0.367 267 F C 1.624 177.491 175.800 0.112 0.000 1.132 267 F CA -0.634 57.427 58.000 0.102 0.000 1.066 267 F CB 0.653 39.704 39.000 0.086 0.000 1.416 267 F HN 0.564 8.864 8.300 -0.000 0.000 0.515 268 S N -1.158 114.715 115.700 0.288 0.000 2.507 268 S HA 0.051 4.503 4.470 -0.030 0.000 0.235 268 S C 0.259 174.962 174.600 0.172 0.000 0.988 268 S CA 0.479 58.792 58.200 0.188 0.000 0.944 268 S CB -0.274 63.016 63.200 0.150 0.000 0.762 268 S HN 0.497 8.807 8.310 -0.000 0.000 0.526 269 Q N 0.694 120.615 119.800 0.202 0.000 2.451 269 Q HA 0.527 4.849 4.340 -0.030 0.000 0.281 269 Q C -3.159 172.959 176.000 0.197 0.000 1.099 269 Q CA -2.499 53.395 55.803 0.152 0.000 0.806 269 Q CB 1.385 30.185 28.738 0.104 0.000 1.419 269 Q HN 0.019 8.289 8.270 -0.000 0.000 0.427 270 P HA 0.041 4.461 4.420 -0.000 0.000 0.264 270 P C -0.556 176.929 177.300 0.308 0.000 1.183 270 P CA 0.212 63.470 63.100 0.263 0.000 0.763 270 P CB 0.472 32.261 31.700 0.149 0.000 0.807 271 R N 2.393 123.106 120.500 0.355 0.000 2.387 271 R HA 0.305 4.627 4.340 -0.030 0.000 0.314 271 R C -0.759 175.658 176.300 0.195 0.000 0.958 271 R CA -0.431 55.796 56.100 0.212 0.000 0.846 271 R CB 0.373 30.749 30.300 0.127 0.000 1.147 271 R HN 0.536 8.806 8.270 -0.000 0.000 0.447 272 H N 5.921 125.001 119.070 0.017 0.000 2.556 272 H HA 0.259 4.797 4.556 -0.030 0.000 0.310 272 H C 0.366 175.602 175.328 -0.152 0.000 1.057 272 H CA -0.383 55.570 56.048 -0.159 0.000 1.264 272 H CB 0.959 30.694 29.762 -0.045 0.000 1.404 272 H HN 0.670 8.950 8.280 -0.000 0.000 0.462 273 I N 2.828 123.157 120.570 -0.401 0.000 2.628 273 I HA -0.117 4.034 4.170 -0.030 0.000 0.255 273 I C 1.174 177.076 176.117 -0.357 0.000 1.119 273 I CA 0.372 61.453 61.300 -0.364 0.000 1.448 273 I CB 0.069 37.828 38.000 -0.401 0.000 1.133 273 I HN 0.464 8.674 8.210 -0.000 0.000 0.438 274 S N 2.004 117.457 115.700 -0.411 0.000 4.139 274 S HA 0.155 4.607 4.470 -0.030 0.000 0.215 274 S C 1.103 175.544 174.600 -0.265 0.000 1.390 274 S CA -0.460 57.619 58.200 -0.202 0.000 0.885 274 S CB -0.274 62.902 63.200 -0.040 0.000 1.560 274 S HN 0.296 8.606 8.310 -0.000 0.000 0.449 275 V N -1.431 118.336 119.914 -0.245 0.000 2.951 275 V HA 0.464 4.566 4.120 -0.030 0.000 0.255 275 V C 0.958 177.082 176.094 0.050 0.000 1.088 275 V CA 0.743 62.971 62.300 -0.120 0.000 1.109 275 V CB -0.795 30.975 31.823 -0.089 0.000 0.724 275 V HN 0.840 9.030 8.190 -0.000 0.000 0.471 276 A N 0.908 123.776 122.820 0.081 0.000 3.030 276 A HA 0.751 5.053 4.320 -0.030 0.000 0.335 276 A C -0.199 177.462 177.584 0.127 0.000 1.089 276 A CA -0.505 51.626 52.037 0.157 0.000 0.807 276 A CB 0.053 19.190 19.000 0.228 0.000 1.099 276 A HN 0.418 8.568 8.150 -0.000 0.000 0.474 277 M N 1.476 121.106 119.600 0.050 0.000 2.217 277 M HA 0.138 4.599 4.480 -0.030 0.000 0.354 277 M C 1.014 177.019 176.300 -0.492 0.000 1.225 277 M CA -0.384 54.847 55.300 -0.116 0.000 1.137 277 M CB 0.846 33.439 32.600 -0.012 0.000 1.576 277 M HN 0.711 9.001 8.290 -0.000 0.000 0.461 278 D N 1.785 121.719 120.400 -0.776 0.000 2.263 278 D HA -0.207 4.415 4.640 -0.030 0.000 0.208 278 D C 1.474 177.411 176.300 -0.605 0.000 0.971 278 D CA 1.309 54.609 54.000 -1.166 0.000 0.867 278 D CB -0.372 39.978 40.800 -0.749 0.000 0.929 278 D HN 0.654 9.024 8.370 -0.000 0.000 0.492 279 K N -0.152 119.950 120.400 -0.497 0.000 2.283 279 K HA -0.082 4.220 4.320 -0.030 0.000 0.202 279 K C 0.386 176.631 176.600 -0.592 0.000 1.048 279 K CA 0.605 56.561 56.287 -0.552 0.000 0.948 279 K CB -0.212 31.867 32.500 -0.702 0.000 0.742 279 K HN 0.221 8.471 8.250 -0.000 0.000 0.458 280 F N 0.326 120.148 119.950 -0.215 0.000 2.855 280 F HA 0.290 4.801 4.527 -0.027 0.000 0.317 280 F C 0.739 176.458 175.800 -0.135 0.000 1.169 280 F CA -0.187 57.721 58.000 -0.152 0.000 1.299 280 F CB 1.376 40.292 39.000 -0.141 0.000 0.962 280 F HN 0.169 8.469 8.300 -0.000 0.000 0.506 281 G N 0.140 108.905 108.800 -0.059 0.000 2.273 281 G HA2 -0.366 3.575 3.960 -0.030 0.000 0.280 281 G HA3 -0.366 3.575 3.960 -0.030 0.000 0.280 281 G C 0.315 175.293 174.900 0.130 0.000 1.047 281 G CA 0.057 45.166 45.100 0.015 0.000 0.869 281 G HN 0.510 8.800 8.290 -0.000 0.000 0.502 282 F N -1.447 118.541 119.950 0.062 0.000 3.067 282 F HA -0.230 4.279 4.527 -0.031 0.000 0.279 282 F C 1.138 176.969 175.800 0.051 0.000 0.945 282 F CA 1.530 59.559 58.000 0.049 0.000 0.948 282 F CB -1.888 37.124 39.000 0.021 0.000 0.898 282 F HN 1.183 9.483 8.300 -0.000 0.000 0.746 283 S N -0.862 114.934 115.700 0.160 0.000 2.546 283 S HA 0.727 5.179 4.470 -0.030 0.000 0.274 283 S C -0.746 173.880 174.600 0.043 0.000 1.121 283 S CA -1.294 56.967 58.200 0.101 0.000 0.887 283 S CB 2.199 65.443 63.200 0.074 0.000 1.094 283 S HN 0.273 8.583 8.310 -0.000 0.000 0.474 284 L N 3.654 124.880 121.223 0.005 0.000 2.462 284 L HA 0.388 4.710 4.340 -0.030 0.000 0.272 284 L C -1.071 175.660 176.870 -0.231 0.000 1.166 284 L CA -1.387 53.409 54.840 -0.073 0.000 0.880 284 L CB 0.146 42.202 42.059 -0.005 0.000 1.142 284 L HN 0.645 8.875 8.230 -0.000 0.000 0.473 285 P HA -0.111 4.309 4.420 -0.000 0.000 0.218 285 P C -1.024 176.182 177.300 -0.155 0.000 1.149 285 P CA 1.258 64.009 63.100 -0.581 0.000 0.817 285 P CB -0.032 30.899 31.700 -1.281 0.000 0.785 286 Y N -6.730 113.409 120.300 -0.269 0.000 2.565 286 Y HA 0.404 4.940 4.550 -0.023 0.000 0.330 286 Y C 0.806 176.655 175.900 -0.086 0.000 1.150 286 Y CA -1.156 56.852 58.100 -0.152 0.000 1.055 286 Y CB 0.220 38.588 38.460 -0.153 0.000 1.337 286 Y HN -0.416 7.864 8.280 -0.000 0.000 0.457 287 V N 1.552 121.483 119.914 0.027 0.000 2.568 287 V HA -0.260 3.842 4.120 -0.030 0.000 0.253 287 V C 1.144 177.161 176.094 -0.128 0.000 1.072 287 V CA 2.520 64.803 62.300 -0.029 0.000 1.084 287 V CB -0.436 31.395 31.823 0.014 0.000 0.676 287 V HN 0.921 9.111 8.190 -0.000 0.000 0.469 288 Q N -1.657 118.032 119.800 -0.184 0.000 2.280 288 Q HA 0.113 4.435 4.340 -0.030 0.000 0.202 288 Q C 0.105 175.693 176.000 -0.687 0.000 0.903 288 Q CA -0.143 55.235 55.803 -0.708 0.000 0.948 288 Q CB -0.048 28.201 28.738 -0.814 0.000 1.058 288 Q HN 0.705 8.975 8.270 -0.000 0.000 0.493 289 Y N 0.152 119.917 120.300 -0.891 0.000 2.496 289 Y HA 0.116 4.648 4.550 -0.031 0.000 0.334 289 Y C -0.172 175.325 175.900 -0.672 0.000 1.080 289 Y CA -0.725 56.781 58.100 -0.990 0.000 1.355 289 Y CB 0.196 37.863 38.460 -1.322 0.000 1.193 289 Y HN 0.126 8.406 8.280 -0.000 0.000 0.523 290 F N 4.882 124.118 119.950 -1.191 0.000 2.764 290 F HA 0.484 4.992 4.527 -0.032 0.000 0.310 290 F C 0.710 175.973 175.800 -0.895 0.000 1.124 290 F CA -0.518 56.849 58.000 -1.055 0.000 1.252 290 F CB -0.059 38.659 39.000 -0.469 0.000 1.010 290 F HN 0.600 8.900 8.300 -0.000 0.000 0.518 291 G N -0.482 107.484 108.800 -1.390 0.000 2.547 291 G HA2 0.463 4.405 3.960 -0.030 0.000 0.291 291 G HA3 0.463 4.405 3.960 -0.030 0.000 0.291 291 G C 0.725 175.481 174.900 -0.240 0.000 1.211 291 G CA 0.151 44.838 45.100 -0.689 0.000 0.950 291 G HN 0.777 9.067 8.290 -0.000 0.000 0.504 292 G N -1.685 107.109 108.800 -0.011 0.000 4.269 292 G HA2 -0.157 3.785 3.960 -0.030 0.000 0.290 292 G HA3 -0.157 3.785 3.960 -0.030 0.000 0.290 292 G C -0.081 174.848 174.900 0.048 0.000 1.570 292 G CA 0.535 45.693 45.100 0.098 0.000 1.072 292 G HN 1.705 9.995 8.290 -0.000 0.000 0.681 293 V N 1.911 121.814 119.914 -0.018 0.000 2.525 293 V HA 0.739 4.841 4.120 -0.030 0.000 0.299 293 V C 0.140 176.132 176.094 -0.170 0.000 1.034 293 V CA 0.279 62.548 62.300 -0.051 0.000 0.863 293 V CB 1.387 33.168 31.823 -0.069 0.000 0.999 293 V HN 1.660 9.850 8.190 -0.000 0.000 0.423 294 S N 3.155 118.781 115.700 -0.123 0.000 2.651 294 S HA 0.997 5.449 4.470 -0.030 0.000 0.279 294 S C -0.714 173.948 174.600 0.104 0.000 1.148 294 S CA -0.426 57.670 58.200 -0.174 0.000 0.837 294 S CB 2.477 65.260 63.200 -0.695 0.000 1.138 294 S HN 1.595 9.905 8.310 -0.000 0.000 0.478 295 A N 1.166 124.106 122.820 0.200 0.000 2.427 295 A HA 0.752 5.053 4.320 -0.030 0.000 0.298 295 A C -1.330 176.519 177.584 0.442 0.000 1.036 295 A CA -0.725 51.489 52.037 0.295 0.000 0.701 295 A CB 1.008 20.110 19.000 0.170 0.000 1.250 295 A HN 0.812 8.962 8.150 -0.000 0.000 0.412 296 L N 2.519 124.063 121.223 0.534 0.000 2.385 296 L HA 0.502 4.823 4.340 -0.030 0.000 0.273 296 L C 0.826 177.982 176.870 0.477 0.000 0.990 296 L CA -0.645 54.517 54.840 0.537 0.000 0.821 296 L CB 2.026 44.495 42.059 0.683 0.000 1.279 296 L HN 0.960 9.190 8.230 -0.000 0.000 0.412 297 S N 1.628 117.556 115.700 0.381 0.000 2.596 297 S HA 0.076 4.528 4.470 -0.030 0.000 0.260 297 S C 1.017 175.891 174.600 0.456 0.000 1.336 297 S CA -0.277 58.133 58.200 0.351 0.000 0.993 297 S CB 1.459 64.813 63.200 0.257 0.000 0.923 297 S HN 0.780 9.090 8.310 -0.000 0.000 0.567 298 K N 0.102 120.795 120.400 0.488 0.000 2.032 298 K HA -0.162 4.139 4.320 -0.030 0.000 0.209 298 K C 2.072 178.898 176.600 0.376 0.000 1.048 298 K CA 1.466 58.093 56.287 0.567 0.000 0.927 298 K CB -0.242 32.577 32.500 0.532 0.000 0.712 298 K HN 0.577 8.827 8.250 -0.000 0.000 0.441 299 Q N 0.588 120.551 119.800 0.272 0.000 2.167 299 Q HA -0.152 4.170 4.340 -0.030 0.000 0.202 299 Q C 2.020 178.118 176.000 0.164 0.000 0.970 299 Q CA 1.421 57.338 55.803 0.190 0.000 0.855 299 Q CB -0.091 28.733 28.738 0.144 0.000 0.911 299 Q HN 0.496 8.766 8.270 -0.000 0.000 0.438 300 Q N -0.722 119.198 119.800 0.200 0.000 2.119 300 Q HA -0.109 4.212 4.340 -0.030 0.000 0.201 300 Q C 1.773 177.858 176.000 0.142 0.000 0.972 300 Q CA 1.056 56.959 55.803 0.167 0.000 0.847 300 Q CB -0.160 28.706 28.738 0.214 0.000 0.903 300 Q HN 0.273 8.543 8.270 -0.000 0.000 0.433 301 F N 0.562 120.518 119.950 0.009 0.000 2.084 301 F HA -0.212 4.296 4.527 -0.030 0.000 0.296 301 F C 1.700 177.336 175.800 -0.273 0.000 1.111 301 F CA 0.848 58.725 58.000 -0.204 0.000 1.224 301 F CB -0.069 38.681 39.000 -0.417 0.000 0.991 301 F HN 0.022 8.322 8.300 -0.000 0.000 0.471 302 L N 0.009 121.233 121.223 0.002 0.000 2.042 302 L HA -0.228 4.093 4.340 -0.030 0.000 0.210 302 L C 2.827 179.637 176.870 -0.100 0.000 1.076 302 L CA 2.026 56.834 54.840 -0.054 0.000 0.749 302 L CB -1.757 40.354 42.059 0.086 0.000 0.893 302 L HN 0.321 8.551 8.230 -0.000 0.000 0.432 303 S N -0.181 115.489 115.700 -0.050 0.000 2.383 303 S HA -0.157 4.295 4.470 -0.030 0.000 0.229 303 S C 1.688 176.233 174.600 -0.091 0.000 1.030 303 S CA 1.437 59.609 58.200 -0.047 0.000 1.002 303 S CB -0.313 62.882 63.200 -0.008 0.000 0.829 303 S HN 0.527 8.837 8.310 -0.000 0.000 0.467 304 I N -1.014 119.461 120.570 -0.159 0.000 3.861 304 I HA 0.341 4.492 4.170 -0.030 0.000 0.329 304 I C 0.539 176.518 176.117 -0.231 0.000 1.321 304 I CA 0.133 61.332 61.300 -0.167 0.000 1.126 304 I CB -0.961 36.943 38.000 -0.160 0.000 1.018 304 I HN 0.373 8.583 8.210 -0.000 0.000 0.407 305 N N 2.148 120.688 118.700 -0.267 0.000 2.740 305 N HA -0.185 4.536 4.740 -0.030 0.000 0.248 305 N C 0.841 176.073 175.510 -0.462 0.000 1.062 305 N CA 0.220 53.106 53.050 -0.273 0.000 0.704 305 N CB -0.983 37.410 38.487 -0.157 0.000 0.968 305 N HN 0.922 9.302 8.380 -0.000 0.000 0.547 306 G N -0.500 107.747 108.800 -0.921 0.000 2.574 306 G HA2 -0.330 3.612 3.960 -0.030 0.000 0.282 306 G HA3 -0.330 3.612 3.960 -0.030 0.000 0.282 306 G C -0.269 174.171 174.900 -0.766 0.000 1.257 306 G CA 0.480 44.585 45.100 -1.659 0.000 0.956 306 G HN 0.304 8.594 8.290 -0.000 0.000 0.560 307 F N 2.462 122.077 119.950 -0.560 0.000 2.457 307 F HA 0.635 5.145 4.527 -0.029 0.000 0.330 307 F C -1.326 174.366 175.800 -0.180 0.000 1.069 307 F CA -2.307 55.503 58.000 -0.316 0.000 1.009 307 F CB 0.868 39.719 39.000 -0.249 0.000 1.276 307 F HN 0.343 8.643 8.300 -0.000 0.000 0.492 308 P HA 0.134 4.554 4.420 -0.000 0.000 0.274 308 P C -0.395 176.976 177.300 0.119 0.000 1.231 308 P CA -0.075 63.085 63.100 0.100 0.000 0.790 308 P CB 1.167 32.962 31.700 0.158 0.000 0.951 309 N N 1.343 120.112 118.700 0.114 0.000 2.250 309 N HA 0.029 4.751 4.740 -0.030 0.000 0.190 309 N C 0.133 175.698 175.510 0.092 0.000 1.116 309 N CA 0.404 53.508 53.050 0.089 0.000 0.881 309 N CB -0.066 38.459 38.487 0.064 0.000 1.006 309 N HN 0.462 8.842 8.380 -0.000 0.000 0.491 310 N N -0.188 118.584 118.700 0.120 0.000 2.380 310 N HA 0.118 4.840 4.740 -0.030 0.000 0.255 310 N C -1.189 174.294 175.510 -0.044 0.000 1.158 310 N CA -0.130 52.937 53.050 0.028 0.000 0.878 310 N CB 0.221 38.682 38.487 -0.043 0.000 1.138 310 N HN 0.072 8.452 8.380 -0.000 0.000 0.509 311 Y N 0.202 120.484 120.300 -0.030 0.000 2.369 311 Y HA 0.380 4.910 4.550 -0.033 0.000 0.337 311 Y C -0.167 175.717 175.900 -0.027 0.000 0.961 311 Y CA -1.102 56.974 58.100 -0.040 0.000 1.186 311 Y CB 0.734 39.153 38.460 -0.069 0.000 1.139 311 Y HN 0.059 8.339 8.280 -0.000 0.000 0.494 312 c N 2.948 121.596 118.600 0.081 0.000 2.322 312 c HA 0.872 5.424 4.570 -0.030 0.000 0.324 312 c C 0.626 174.783 174.090 0.112 0.000 1.284 312 c CA -0.207 56.170 56.329 0.080 0.000 1.606 312 c CB 0.220 42.756 42.510 0.044 0.000 2.251 312 c HN 1.134 9.364 8.230 -0.000 0.000 0.502 313 G N 2.745 111.645 108.800 0.167 0.000 2.712 313 G HA2 -0.112 3.830 3.960 -0.030 0.000 0.683 313 G HA3 -0.112 3.830 3.960 -0.030 0.000 0.683 313 G C -0.861 174.185 174.900 0.244 0.000 1.320 313 G CA -0.425 44.800 45.100 0.208 0.000 0.847 313 G HN 1.020 9.310 8.290 -0.000 0.000 0.553 314 W N 1.189 122.548 121.300 0.098 0.000 2.190 314 W HA 0.519 5.158 4.660 -0.035 0.000 0.330 314 W C 0.862 177.419 176.519 0.063 0.000 1.299 314 W CA 2.072 59.470 57.345 0.089 0.000 1.215 314 W CB 0.609 30.109 29.460 0.066 0.000 1.147 314 W HN 2.392 10.572 8.180 -0.000 0.000 0.563 315 G N 2.986 111.202 108.800 -0.973 0.000 2.719 315 G HA2 0.385 4.326 3.960 -0.030 0.000 0.686 315 G HA3 0.385 4.326 3.960 -0.030 0.000 0.686 315 G C 0.500 175.134 174.900 -0.443 0.000 1.201 315 G CA 0.047 44.519 45.100 -1.047 0.000 0.768 315 G HN 2.102 10.392 8.290 -0.000 0.000 0.629 316 G N 0.510 109.057 108.800 -0.423 0.000 2.363 316 G HA2 -0.197 3.744 3.960 -0.030 0.000 0.238 316 G HA3 -0.197 3.744 3.960 -0.030 0.000 0.238 316 G C 1.423 176.038 174.900 -0.475 0.000 1.062 316 G CA 1.453 46.407 45.100 -0.244 0.000 0.629 316 G HN 2.234 10.524 8.290 -0.000 0.000 0.514 317 E N 2.145 121.943 120.200 -0.671 0.000 2.153 317 E HA -0.140 4.192 4.350 -0.030 0.000 0.194 317 E C 1.789 178.025 176.600 -0.606 0.000 0.988 317 E CA 2.092 57.909 56.400 -0.972 0.000 0.811 317 E CB -0.633 28.679 29.700 -0.647 0.000 0.746 317 E HN 0.581 8.941 8.360 -0.000 0.000 0.466 318 D N 1.264 121.414 120.400 -0.417 0.000 2.183 318 D HA -0.169 4.452 4.640 -0.030 0.000 0.203 318 D C 1.329 177.512 176.300 -0.195 0.000 0.969 318 D CA 0.926 54.744 54.000 -0.303 0.000 0.842 318 D CB -0.552 40.085 40.800 -0.271 0.000 0.957 318 D HN 0.137 8.507 8.370 -0.000 0.000 0.484 319 D N 0.804 121.105 120.400 -0.165 0.000 2.178 319 D HA -0.154 4.467 4.640 -0.030 0.000 0.202 319 D C 1.663 177.931 176.300 -0.053 0.000 0.974 319 D CA 0.872 54.843 54.000 -0.049 0.000 0.841 319 D CB -0.180 40.614 40.800 -0.010 0.000 0.953 319 D HN 0.331 8.701 8.370 -0.000 0.000 0.478 320 D N 0.922 121.211 120.400 -0.185 0.000 2.117 320 D HA -0.114 4.508 4.640 -0.030 0.000 0.197 320 D C 2.327 178.536 176.300 -0.150 0.000 0.987 320 D CA 0.502 54.416 54.000 -0.143 0.000 0.829 320 D CB 0.056 40.669 40.800 -0.311 0.000 0.961 320 D HN 0.188 8.558 8.370 -0.000 0.000 0.460 321 I N 0.125 120.542 120.570 -0.255 0.000 2.226 321 I HA -0.287 3.865 4.170 -0.030 0.000 0.245 321 I C 2.485 178.418 176.117 -0.306 0.000 1.100 321 I CA 0.941 62.066 61.300 -0.290 0.000 1.374 321 I CB -0.480 37.245 38.000 -0.457 0.000 1.057 321 I HN 0.093 8.303 8.210 -0.000 0.000 0.413 322 Y N 2.358 122.420 120.300 -0.396 0.000 2.165 322 Y HA -0.326 4.207 4.550 -0.029 0.000 0.286 322 Y C 2.376 178.076 175.900 -0.333 0.000 1.155 322 Y CA 1.881 59.716 58.100 -0.442 0.000 1.164 322 Y CB -0.338 37.943 38.460 -0.298 0.000 0.978 322 Y HN 0.201 8.481 8.280 -0.000 0.000 0.513 323 N N 0.376 118.966 118.700 -0.182 0.000 2.084 323 N HA -0.153 4.568 4.740 -0.030 0.000 0.190 323 N C 1.891 177.219 175.510 -0.304 0.000 1.030 323 N CA 1.731 54.600 53.050 -0.303 0.000 0.849 323 N CB -0.436 37.999 38.487 -0.086 0.000 1.012 323 N HN 0.421 8.801 8.380 -0.000 0.000 0.423 324 R N 0.558 120.992 120.500 -0.111 0.000 2.083 324 R HA -0.035 4.287 4.340 -0.030 0.000 0.237 324 R C 2.297 178.532 176.300 -0.109 0.000 1.137 324 R CA 0.962 57.060 56.100 -0.004 0.000 0.951 324 R CB -0.546 29.728 30.300 -0.043 0.000 0.851 324 R HN 0.223 8.493 8.270 -0.000 0.000 0.434 325 L N 0.128 121.188 121.223 -0.272 0.000 2.046 325 L HA -0.182 4.140 4.340 -0.030 0.000 0.208 325 L C 2.741 179.428 176.870 -0.305 0.000 1.077 325 L CA 1.324 55.988 54.840 -0.293 0.000 0.747 325 L CB -0.654 41.143 42.059 -0.437 0.000 0.896 325 L HN 0.269 8.499 8.230 -0.000 0.000 0.432 326 A N -0.100 122.430 122.820 -0.483 0.000 1.902 326 A HA -0.206 4.096 4.320 -0.030 0.000 0.217 326 A C 2.138 179.564 177.584 -0.262 0.000 1.181 326 A CA 1.449 53.211 52.037 -0.459 0.000 0.623 326 A CB -0.946 17.653 19.000 -0.669 0.000 0.818 326 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 327 F N -0.411 119.441 119.950 -0.164 0.000 2.216 327 F HA -0.138 4.372 4.527 -0.030 0.000 0.300 327 F C 2.189 177.934 175.800 -0.092 0.000 1.085 327 F CA 0.669 58.606 58.000 -0.106 0.000 1.326 327 F CB 0.099 39.045 39.000 -0.090 0.000 1.027 327 F HN 0.060 8.360 8.300 -0.000 0.000 0.497 328 R N 0.561 121.106 120.500 0.075 0.000 2.335 328 R HA 0.148 4.469 4.340 -0.030 0.000 0.223 328 R C 1.340 177.637 176.300 -0.005 0.000 0.940 328 R CA 0.637 56.750 56.100 0.022 0.000 1.086 328 R CB -0.768 29.527 30.300 -0.009 0.000 1.073 328 R HN 0.366 8.636 8.270 -0.000 0.000 0.504 329 G N 1.021 109.810 108.800 -0.019 0.000 2.148 329 G HA2 -0.305 3.637 3.960 -0.030 0.000 0.254 329 G HA3 -0.305 3.637 3.960 -0.030 0.000 0.254 329 G C 0.216 175.086 174.900 -0.050 0.000 0.981 329 G CA 0.380 45.461 45.100 -0.031 0.000 0.670 329 G HN 0.259 8.549 8.290 -0.000 0.000 0.528 330 M N 0.814 120.363 119.600 -0.084 0.000 2.444 330 M HA 0.572 5.033 4.480 -0.030 0.000 0.319 330 M C 0.820 177.045 176.300 -0.126 0.000 1.183 330 M CA -0.145 55.106 55.300 -0.081 0.000 1.032 330 M CB 1.769 34.322 32.600 -0.078 0.000 1.569 330 M HN 0.464 8.754 8.290 -0.000 0.000 0.468 331 S N 0.370 116.025 115.700 -0.076 0.000 2.689 331 S HA 0.739 5.191 4.470 -0.030 0.000 0.306 331 S C -0.719 173.859 174.600 -0.036 0.000 1.104 331 S CA -0.987 57.170 58.200 -0.071 0.000 0.973 331 S CB 1.578 64.765 63.200 -0.022 0.000 1.121 331 S HN 0.442 8.752 8.310 -0.000 0.000 0.523 332 V N 2.177 122.093 119.914 0.003 0.000 2.383 332 V HA 0.546 4.647 4.120 -0.030 0.000 0.275 332 V C 0.459 176.608 176.094 0.092 0.000 1.036 332 V CA -0.445 61.904 62.300 0.082 0.000 0.889 332 V CB 1.077 32.994 31.823 0.157 0.000 0.985 332 V HN 0.983 9.173 8.190 -0.000 0.000 0.459 333 S N 6.704 122.457 115.700 0.088 0.000 2.525 333 S HA 0.730 5.182 4.470 -0.030 0.000 0.278 333 S C -0.354 174.227 174.600 -0.031 0.000 1.234 333 S CA -0.640 57.565 58.200 0.007 0.000 1.058 333 S CB 0.533 63.715 63.200 -0.030 0.000 0.983 333 S HN 0.763 9.073 8.310 -0.000 0.000 0.495 334 R N 2.718 123.175 120.500 -0.072 0.000 2.707 334 R HA 0.520 4.842 4.340 -0.030 0.000 0.272 334 R C -2.678 173.552 176.300 -0.117 0.000 1.011 334 R CA -1.651 54.398 56.100 -0.084 0.000 0.893 334 R CB 1.774 32.080 30.300 0.011 0.000 1.233 334 R HN 0.544 8.814 8.270 -0.000 0.000 0.464 335 P HA 0.083 4.503 4.420 -0.000 0.000 0.278 335 P C -1.024 176.251 177.300 -0.042 0.000 1.266 335 P CA -0.603 62.446 63.100 -0.086 0.000 0.807 335 P CB 0.625 32.282 31.700 -0.071 0.000 1.094 336 N N -0.640 118.045 118.700 -0.024 0.000 2.399 336 N HA 0.069 4.791 4.740 -0.030 0.000 0.250 336 N C 0.984 176.493 175.510 -0.002 0.000 1.272 336 N CA -0.414 52.630 53.050 -0.010 0.000 0.928 336 N CB 0.698 39.178 38.487 -0.011 0.000 1.158 336 N HN 0.376 8.756 8.380 -0.000 0.000 0.463 337 A N 1.041 123.868 122.820 0.011 0.000 2.131 337 A HA -0.060 4.242 4.320 -0.030 0.000 0.220 337 A C 2.027 179.624 177.584 0.022 0.000 1.158 337 A CA 0.976 53.032 52.037 0.032 0.000 0.665 337 A CB -0.537 18.492 19.000 0.049 0.000 0.795 337 A HN 0.529 8.679 8.150 -0.000 0.000 0.460 338 V N -0.302 119.606 119.914 -0.009 0.000 2.379 338 V HA -0.147 3.955 4.120 -0.030 0.000 0.243 338 V C 2.299 178.377 176.094 -0.027 0.000 1.035 338 V CA 1.598 63.875 62.300 -0.037 0.000 1.035 338 V CB -0.506 31.285 31.823 -0.054 0.000 0.673 338 V HN 0.707 8.897 8.190 -0.000 0.000 0.457 339 I N 0.758 121.318 120.570 -0.018 0.000 2.676 339 I HA -0.032 4.120 4.170 -0.030 0.000 0.259 339 I C 1.889 178.024 176.117 0.029 0.000 1.194 339 I CA 1.447 62.749 61.300 0.003 0.000 1.473 339 I CB -0.246 37.759 38.000 0.008 0.000 1.096 339 I HN 0.335 8.545 8.210 -0.000 0.000 0.443 340 G N 1.115 109.929 108.800 0.023 0.000 3.088 340 G HA2 0.032 3.974 3.960 -0.030 0.000 0.212 340 G HA3 0.032 3.974 3.960 -0.030 0.000 0.212 340 G C 0.447 175.391 174.900 0.073 0.000 1.173 340 G CA -0.413 44.704 45.100 0.028 0.000 0.779 340 G HN 0.258 8.548 8.290 -0.000 0.000 0.540 341 K N 1.262 121.723 120.400 0.101 0.000 2.511 341 K HA 0.226 4.528 4.320 -0.030 0.000 0.280 341 K C -0.379 176.333 176.600 0.187 0.000 1.008 341 K CA 0.708 57.122 56.287 0.211 0.000 1.050 341 K CB 0.375 32.942 32.500 0.111 0.000 0.889 341 K HN 0.047 8.297 8.250 -0.000 0.000 0.484 342 T N 3.154 117.838 114.554 0.217 0.000 2.916 342 T HA 0.352 4.684 4.350 -0.030 0.000 0.305 342 T C -0.628 174.116 174.700 0.074 0.000 1.119 342 T CA -0.900 61.272 62.100 0.119 0.000 1.008 342 T CB 1.577 70.495 68.868 0.084 0.000 1.129 342 T HN 0.409 8.649 8.240 -0.000 0.000 0.480 343 R N 1.753 122.292 120.500 0.065 0.000 2.514 343 R HA 0.593 4.914 4.340 -0.030 0.000 0.301 343 R C -0.778 175.549 176.300 0.045 0.000 0.962 343 R CA -0.745 55.390 56.100 0.058 0.000 0.882 343 R CB 2.146 32.535 30.300 0.149 0.000 1.143 343 R HN 0.514 8.784 8.270 -0.000 0.000 0.452 344 M N 4.250 123.821 119.600 -0.049 0.000 2.227 344 M HA 0.386 4.848 4.480 -0.030 0.000 0.335 344 M C -0.688 175.460 176.300 -0.253 0.000 1.053 344 M CA -0.743 54.482 55.300 -0.124 0.000 0.973 344 M CB 1.216 33.734 32.600 -0.138 0.000 1.623 344 M HN 0.555 8.845 8.290 -0.000 0.000 0.434 345 I N 4.855 125.122 120.570 -0.506 0.000 2.683 345 I HA 0.031 4.183 4.170 -0.030 0.000 0.286 345 I C 0.826 176.724 176.117 -0.365 0.000 1.175 345 I CA -0.035 60.820 61.300 -0.741 0.000 1.429 345 I CB 0.096 37.443 38.000 -1.088 0.000 1.371 345 I HN 0.569 8.779 8.210 -0.000 0.000 0.569 346 R N 5.358 125.700 120.500 -0.262 0.000 2.484 346 R HA 0.130 4.452 4.340 -0.030 0.000 0.293 346 R C -0.596 175.659 176.300 -0.075 0.000 1.023 346 R CA 0.166 56.152 56.100 -0.190 0.000 1.037 346 R CB 0.074 30.299 30.300 -0.126 0.000 0.951 346 R HN 0.742 9.012 8.270 -0.000 0.000 0.418 347 H N -1.969 117.050 119.070 -0.086 0.000 3.042 347 H HA 0.342 4.880 4.556 -0.030 0.000 0.346 347 H C -1.149 174.141 175.328 -0.062 0.000 1.294 347 H CA -0.801 55.228 56.048 -0.031 0.000 1.141 347 H CB 0.923 30.725 29.762 0.067 0.000 1.872 347 H HN 0.388 8.668 8.280 -0.000 0.000 0.541 348 S N 0.548 116.329 115.700 0.135 0.000 2.672 348 S HA 0.409 4.860 4.470 -0.030 0.000 0.276 348 S C 0.135 174.822 174.600 0.145 0.000 1.207 348 S CA -0.845 57.386 58.200 0.051 0.000 1.002 348 S CB 0.611 63.814 63.200 0.005 0.000 0.998 348 S HN 0.762 9.072 8.310 -0.000 0.000 0.542 349 R N 1.758 122.271 120.500 0.021 0.000 2.570 349 R HA 0.100 4.422 4.340 -0.030 0.000 0.277 349 R C -0.518 175.765 176.300 -0.029 0.000 1.039 349 R CA 0.303 56.400 56.100 -0.005 0.000 1.065 349 R CB 0.041 30.285 30.300 -0.093 0.000 0.964 349 R HN 0.605 8.875 8.270 -0.000 0.000 0.428 350 D N 3.571 123.930 120.400 -0.067 0.000 2.382 350 D HA 0.036 4.658 4.640 -0.030 0.000 0.245 350 D C -0.161 176.100 176.300 -0.065 0.000 1.120 350 D CA 0.118 54.052 54.000 -0.110 0.000 0.890 350 D CB 0.831 41.502 40.800 -0.215 0.000 1.201 350 D HN 0.212 8.582 8.370 -0.000 0.000 0.433 351 K N 1.994 122.360 120.400 -0.055 0.000 2.448 351 K HA -0.016 4.286 4.320 -0.030 0.000 0.278 351 K C 0.625 177.222 176.600 -0.004 0.000 1.009 351 K CA 0.028 56.301 56.287 -0.023 0.000 0.995 351 K CB 0.484 32.972 32.500 -0.021 0.000 0.917 351 K HN 0.345 8.595 8.250 -0.000 0.000 0.481 352 K N 0.709 121.125 120.400 0.027 0.000 3.509 352 K HA -0.182 4.119 4.320 -0.030 0.000 0.302 352 K C -0.304 176.361 176.600 0.108 0.000 1.355 352 K CA 1.153 57.478 56.287 0.065 0.000 0.953 352 K CB -1.693 30.850 32.500 0.071 0.000 1.321 352 K HN 0.701 8.951 8.250 -0.000 0.000 0.461 353 N N 0.663 119.415 118.700 0.087 0.000 2.571 353 N HA 0.143 4.865 4.740 -0.030 0.000 0.298 353 N C -1.123 174.484 175.510 0.162 0.000 1.671 353 N CA -0.294 52.846 53.050 0.150 0.000 0.900 353 N CB 0.560 39.099 38.487 0.086 0.000 1.365 353 N HN 0.138 8.518 8.380 -0.000 0.000 0.493 354 E N 0.457 120.729 120.200 0.121 0.000 2.408 354 E HA 0.221 4.553 4.350 -0.030 0.000 0.259 354 E C -2.267 174.439 176.600 0.177 0.000 1.110 354 E CA -1.406 55.053 56.400 0.099 0.000 0.929 354 E CB 0.179 29.918 29.700 0.065 0.000 0.971 354 E HN 0.239 8.599 8.360 -0.000 0.000 0.438 355 P HA -0.068 4.352 4.420 -0.000 0.000 0.262 355 P C -0.738 176.677 177.300 0.192 0.000 1.182 355 P CA 0.139 63.410 63.100 0.284 0.000 0.761 355 P CB 0.336 32.160 31.700 0.207 0.000 0.795 356 N N 5.216 124.025 118.700 0.182 0.000 2.420 356 N HA 0.095 4.817 4.740 -0.030 0.000 0.262 356 N C -1.664 173.864 175.510 0.029 0.000 1.144 356 N CA -2.014 51.086 53.050 0.082 0.000 0.952 356 N CB 0.222 38.743 38.487 0.058 0.000 1.081 356 N HN 0.175 8.555 8.380 -0.000 0.000 0.480 357 P HA -0.095 4.325 4.420 -0.000 0.000 0.218 357 P C 0.205 177.526 177.300 0.036 0.000 1.149 357 P CA 1.320 64.452 63.100 0.053 0.000 0.817 357 P CB 0.223 31.957 31.700 0.056 0.000 0.785 358 Q N -0.502 119.291 119.800 -0.011 0.000 2.403 358 Q HA 0.062 4.384 4.340 -0.030 0.000 0.203 358 Q C 1.975 177.927 176.000 -0.079 0.000 0.932 358 Q CA -0.062 55.724 55.803 -0.028 0.000 0.945 358 Q CB -0.335 28.363 28.738 -0.067 0.000 1.045 358 Q HN 0.403 8.673 8.270 -0.000 0.000 0.511 359 R N 0.366 120.779 120.500 -0.144 0.000 2.105 359 R HA -0.137 4.185 4.340 -0.030 0.000 0.239 359 R C 1.323 177.543 176.300 -0.133 0.000 1.135 359 R CA 1.535 57.528 56.100 -0.179 0.000 0.967 359 R CB -0.643 29.485 30.300 -0.287 0.000 0.861 359 R HN 0.189 8.459 8.270 -0.000 0.000 0.442 360 F N 1.856 121.846 119.950 0.067 0.000 2.206 360 F HA -0.071 4.447 4.527 -0.015 0.000 0.298 360 F C 2.063 177.888 175.800 0.041 0.000 1.090 360 F CA 0.883 58.912 58.000 0.049 0.000 1.323 360 F CB -0.093 38.925 39.000 0.031 0.000 1.028 360 F HN -0.001 8.299 8.300 -0.000 0.000 0.492 361 D N 0.123 120.648 120.400 0.208 0.000 2.144 361 D HA -0.093 4.529 4.640 -0.030 0.000 0.200 361 D C 2.258 178.670 176.300 0.187 0.000 0.978 361 D CA 0.937 55.040 54.000 0.171 0.000 0.833 361 D CB -0.309 40.579 40.800 0.147 0.000 0.961 361 D HN 0.260 8.630 8.370 -0.000 0.000 0.470 362 R N 0.686 121.238 120.500 0.086 0.000 2.066 362 R HA -0.028 4.293 4.340 -0.030 0.000 0.232 362 R C 2.633 179.051 176.300 0.196 0.000 1.131 362 R CA 0.943 57.071 56.100 0.048 0.000 0.955 362 R CB -0.445 29.647 30.300 -0.348 0.000 0.851 362 R HN 0.318 8.588 8.270 -0.000 0.000 0.432 363 I N -1.782 118.928 120.570 0.233 0.000 2.614 363 I HA -0.040 4.112 4.170 -0.030 0.000 0.258 363 I C 1.987 178.185 176.117 0.136 0.000 1.189 363 I CA 1.448 62.881 61.300 0.222 0.000 1.462 363 I CB -0.354 37.753 38.000 0.179 0.000 1.092 363 I HN -0.025 8.185 8.210 -0.000 0.000 0.442 364 A N 0.602 123.460 122.820 0.064 0.000 2.168 364 A HA -0.091 4.211 4.320 -0.030 0.000 0.215 364 A C 1.393 178.840 177.584 -0.229 0.000 1.152 364 A CA 1.075 53.054 52.037 -0.096 0.000 0.716 364 A CB -0.988 17.893 19.000 -0.198 0.000 0.794 364 A HN 0.719 8.869 8.150 -0.000 0.000 0.465 365 H N -1.882 117.250 119.070 0.103 0.000 2.581 365 H HA 0.150 4.690 4.556 -0.027 0.000 0.275 365 H C 1.546 176.927 175.328 0.089 0.000 1.126 365 H CA 0.476 56.571 56.048 0.077 0.000 1.097 365 H CB 0.364 30.148 29.762 0.037 0.000 1.626 365 H HN 0.317 8.597 8.280 -0.000 0.000 0.565 366 T N 0.386 115.078 114.554 0.231 0.000 2.685 366 T HA -0.268 4.064 4.350 -0.030 0.000 0.268 366 T C 1.976 176.763 174.700 0.145 0.000 1.034 366 T CA 1.577 63.811 62.100 0.225 0.000 1.149 366 T CB 0.048 69.080 68.868 0.274 0.000 0.860 366 T HN 0.410 8.650 8.240 -0.000 0.000 0.449 367 K N 0.928 121.379 120.400 0.086 0.000 2.160 367 K HA -0.200 4.102 4.320 -0.030 0.000 0.206 367 K C 2.323 178.771 176.600 -0.253 0.000 1.047 367 K CA 1.702 57.718 56.287 -0.452 0.000 0.930 367 K CB -0.006 31.994 32.500 -0.833 0.000 0.720 367 K HN 0.658 8.908 8.250 -0.000 0.000 0.450 368 E N -1.004 119.146 120.200 -0.083 0.000 2.216 368 E HA -0.062 4.270 4.350 -0.030 0.000 0.192 368 E C 1.619 178.198 176.600 -0.036 0.000 0.973 368 E CA 1.190 57.553 56.400 -0.062 0.000 0.851 368 E CB -0.095 29.593 29.700 -0.020 0.000 0.804 368 E HN 0.308 8.668 8.360 -0.000 0.000 0.477 369 T N 0.429 114.987 114.554 0.006 0.000 3.043 369 T HA -0.043 4.288 4.350 -0.030 0.000 0.263 369 T C 2.211 176.913 174.700 0.005 0.000 1.094 369 T CA 0.859 62.966 62.100 0.011 0.000 1.127 369 T CB -0.423 68.471 68.868 0.043 0.000 0.905 369 T HN 0.317 8.557 8.240 -0.000 0.000 0.490 370 M N 0.626 120.226 119.600 -0.000 0.000 2.374 370 M HA 0.178 4.639 4.480 -0.030 0.000 0.264 370 M C 1.816 178.088 176.300 -0.045 0.000 1.067 370 M CA 1.406 56.697 55.300 -0.015 0.000 1.103 370 M CB -0.891 31.705 32.600 -0.007 0.000 1.402 370 M HN 0.143 8.433 8.290 -0.000 0.000 0.444 371 L N 0.712 121.902 121.223 -0.055 0.000 2.217 371 L HA -0.024 4.297 4.340 -0.030 0.000 0.211 371 L C 2.274 179.118 176.870 -0.043 0.000 1.107 371 L CA 1.218 56.024 54.840 -0.057 0.000 0.783 371 L CB -0.407 41.614 42.059 -0.064 0.000 0.919 371 L HN 0.617 8.847 8.230 -0.000 0.000 0.442 372 S N -3.674 112.005 115.700 -0.034 0.000 2.666 372 S HA 0.110 4.562 4.470 -0.030 0.000 0.239 372 S C 0.112 174.702 174.600 -0.017 0.000 1.031 372 S CA -0.530 57.655 58.200 -0.026 0.000 1.015 372 S CB 0.312 63.497 63.200 -0.025 0.000 0.981 372 S HN 0.202 8.512 8.310 -0.000 0.000 0.547 373 D N 0.375 120.767 120.400 -0.013 0.000 2.505 373 D HA 0.683 5.305 4.640 -0.030 0.000 0.250 373 D C 0.205 176.500 176.300 -0.008 0.000 1.164 373 D CA 0.273 54.274 54.000 0.002 0.000 0.870 373 D CB 1.139 41.951 40.800 0.020 0.000 1.160 373 D HN 0.381 8.751 8.370 -0.000 0.000 0.549 374 G N 2.570 111.362 108.800 -0.014 0.000 2.512 374 G HA2 -0.055 3.887 3.960 -0.030 0.000 0.181 374 G HA3 -0.055 3.887 3.960 -0.030 0.000 0.181 374 G C 0.518 175.394 174.900 -0.040 0.000 1.173 374 G CA -0.303 44.767 45.100 -0.051 0.000 0.988 374 G HN 0.420 8.710 8.290 -0.000 0.000 0.485 375 L N 1.349 122.516 121.223 -0.094 0.000 2.043 375 L HA -0.124 4.198 4.340 -0.030 0.000 0.212 375 L C 2.755 179.638 176.870 0.021 0.000 1.075 375 L CA 2.369 57.197 54.840 -0.021 0.000 0.752 375 L CB -0.362 41.665 42.059 -0.054 0.000 0.891 375 L HN 0.725 8.955 8.230 -0.000 0.000 0.432 376 N N -1.280 117.416 118.700 -0.008 0.000 2.550 376 N HA -0.132 4.590 4.740 -0.030 0.000 0.186 376 N C 1.139 176.656 175.510 0.011 0.000 1.110 376 N CA 1.153 54.206 53.050 0.005 0.000 0.912 376 N CB -0.253 38.227 38.487 -0.011 0.000 0.968 376 N HN 0.339 8.719 8.380 -0.000 0.000 0.448 377 S N -1.476 114.235 115.700 0.017 0.000 2.819 377 S HA 0.238 4.690 4.470 -0.030 0.000 0.249 377 S C 0.079 174.706 174.600 0.045 0.000 1.030 377 S CA -0.838 57.376 58.200 0.022 0.000 1.052 377 S CB -0.438 62.769 63.200 0.013 0.000 1.017 377 S HN 0.166 8.476 8.310 -0.000 0.000 0.576 378 L N 4.118 125.383 121.223 0.071 0.000 2.410 378 L HA 0.577 4.899 4.340 -0.030 0.000 0.273 378 L C -0.170 176.781 176.870 0.135 0.000 1.144 378 L CA 1.044 55.961 54.840 0.129 0.000 0.863 378 L CB 0.562 42.731 42.059 0.183 0.000 1.140 378 L HN 0.456 8.686 8.230 -0.000 0.000 0.463 379 T N 2.514 117.160 114.554 0.153 0.000 2.912 379 T HA 0.770 5.102 4.350 -0.030 0.000 0.299 379 T C -0.844 173.975 174.700 0.197 0.000 1.052 379 T CA -0.472 61.671 62.100 0.072 0.000 0.996 379 T CB 1.506 70.386 68.868 0.020 0.000 1.070 379 T HN 0.748 8.988 8.240 -0.000 0.000 0.465 380 Y N -0.532 119.784 120.300 0.027 0.000 2.741 380 Y HA 0.738 5.270 4.550 -0.030 0.000 0.339 380 Y C -1.893 174.024 175.900 0.029 0.000 1.226 380 Y CA -1.716 56.401 58.100 0.028 0.000 1.072 380 Y CB 1.372 39.852 38.460 0.034 0.000 1.331 380 Y HN 0.746 9.026 8.280 -0.000 0.000 0.453 381 M N 2.514 122.248 119.600 0.223 0.000 2.259 381 M HA 0.536 4.998 4.480 -0.030 0.000 0.304 381 M C -1.522 174.903 176.300 0.208 0.000 1.019 381 M CA -1.101 54.272 55.300 0.121 0.000 0.922 381 M CB 2.386 35.029 32.600 0.070 0.000 1.600 381 M HN 0.544 8.834 8.290 -0.000 0.000 0.433 382 V N 5.087 125.107 119.914 0.177 0.000 2.408 382 V HA 0.152 4.254 4.120 -0.030 0.000 0.267 382 V C 0.953 177.111 176.094 0.107 0.000 1.047 382 V CA 0.024 62.428 62.300 0.173 0.000 0.937 382 V CB 0.840 32.765 31.823 0.171 0.000 0.999 382 V HN 0.863 9.053 8.190 -0.000 0.000 0.472 383 L N 3.053 124.337 121.223 0.100 0.000 2.354 383 L HA 0.424 4.746 4.340 -0.030 0.000 0.212 383 L C 0.869 177.778 176.870 0.065 0.000 1.091 383 L CA 0.652 55.537 54.840 0.076 0.000 0.828 383 L CB 0.222 42.327 42.059 0.076 0.000 0.973 383 L HN 0.667 8.897 8.230 -0.000 0.000 0.461 384 E N -0.374 119.869 120.200 0.071 0.000 2.388 384 E HA 0.345 4.677 4.350 -0.030 0.000 0.282 384 E C -1.892 174.742 176.600 0.056 0.000 1.026 384 E CA -0.325 56.107 56.400 0.053 0.000 0.820 384 E CB 2.965 32.693 29.700 0.047 0.000 1.226 384 E HN -0.264 8.096 8.360 -0.000 0.000 0.432 385 V N 3.340 123.273 119.914 0.032 0.000 2.443 385 V HA 0.354 4.456 4.120 -0.030 0.000 0.293 385 V C -0.695 175.377 176.094 -0.037 0.000 1.021 385 V CA -0.644 61.673 62.300 0.028 0.000 0.848 385 V CB 1.624 33.473 31.823 0.043 0.000 0.998 385 V HN 0.575 8.765 8.190 -0.000 0.000 0.424 386 Q N 4.504 124.262 119.800 -0.070 0.000 2.316 386 Q HA 0.597 4.918 4.340 -0.030 0.000 0.264 386 Q C -0.811 175.026 176.000 -0.271 0.000 0.987 386 Q CA -0.882 54.779 55.803 -0.236 0.000 0.852 386 Q CB 2.421 30.954 28.738 -0.342 0.000 1.287 386 Q HN 0.489 8.759 8.270 -0.000 0.000 0.448 387 R N 2.830 123.130 120.500 -0.334 0.000 2.275 387 R HA 0.360 4.682 4.340 -0.030 0.000 0.326 387 R C -1.095 174.984 176.300 -0.369 0.000 0.973 387 R CA -0.279 55.663 56.100 -0.263 0.000 0.854 387 R CB 0.415 30.620 30.300 -0.158 0.000 1.156 387 R HN 0.622 8.892 8.270 -0.000 0.000 0.487 388 Y N 2.737 122.848 120.300 -0.314 0.000 2.596 388 Y HA 0.284 4.816 4.550 -0.031 0.000 0.326 388 Y C -0.948 174.789 175.900 -0.271 0.000 1.167 388 Y CA -2.078 55.810 58.100 -0.353 0.000 1.246 388 Y CB 1.292 39.355 38.460 -0.662 0.000 1.347 388 Y HN 0.305 8.585 8.280 -0.000 0.000 0.515 389 P HA -0.116 4.304 4.420 -0.000 0.000 0.217 389 P C 0.892 178.171 177.300 -0.035 0.000 1.151 389 P CA 1.689 64.769 63.100 -0.034 0.000 0.828 389 P CB 0.469 32.155 31.700 -0.024 0.000 0.788 390 L N -2.288 118.931 121.223 -0.007 0.000 2.529 390 L HA 0.133 4.454 4.340 -0.030 0.000 0.223 390 L C 0.757 177.888 176.870 0.434 0.000 1.113 390 L CA 0.082 55.026 54.840 0.173 0.000 0.861 390 L CB -0.314 41.921 42.059 0.294 0.000 1.012 390 L HN 0.087 8.317 8.230 -0.000 0.000 0.461 391 Y N -4.717 115.674 120.300 0.152 0.000 2.774 391 Y HA 0.429 4.961 4.550 -0.030 0.000 0.346 391 Y C -0.909 175.005 175.900 0.023 0.000 1.222 391 Y CA -1.388 56.758 58.100 0.077 0.000 1.088 391 Y CB 0.643 39.146 38.460 0.072 0.000 1.354 391 Y HN -0.385 7.895 8.280 -0.000 0.000 0.455 392 T N 2.719 117.303 114.554 0.050 0.000 2.794 392 T HA 0.414 4.745 4.350 -0.030 0.000 0.280 392 T C -1.180 173.627 174.700 0.179 0.000 0.987 392 T CA -0.813 61.275 62.100 -0.020 0.000 0.993 392 T CB 0.856 69.610 68.868 -0.191 0.000 0.939 392 T HN 0.613 8.853 8.240 -0.000 0.000 0.449 393 K N 4.591 125.102 120.400 0.184 0.000 2.413 393 K HA 0.519 4.820 4.320 -0.030 0.000 0.257 393 K C -1.157 175.516 176.600 0.120 0.000 0.946 393 K CA -0.625 55.778 56.287 0.193 0.000 0.823 393 K CB 0.800 33.473 32.500 0.289 0.000 1.109 393 K HN 0.570 8.820 8.250 -0.000 0.000 0.427 394 I N 3.682 124.325 120.570 0.123 0.000 2.355 394 I HA 0.165 4.317 4.170 -0.030 0.000 0.288 394 I C -0.177 176.002 176.117 0.103 0.000 0.999 394 I CA -0.748 60.620 61.300 0.112 0.000 1.163 394 I CB 1.911 39.986 38.000 0.126 0.000 1.316 394 I HN 0.462 8.672 8.210 -0.000 0.000 0.454 395 T N 6.517 121.133 114.554 0.103 0.000 2.771 395 T HA 0.510 4.841 4.350 -0.030 0.000 0.291 395 T C -0.016 174.747 174.700 0.105 0.000 0.954 395 T CA -0.435 61.732 62.100 0.111 0.000 1.045 395 T CB 1.224 70.159 68.868 0.113 0.000 0.917 395 T HN 0.458 8.698 8.240 -0.000 0.000 0.484 396 V N 0.378 120.351 119.914 0.097 0.000 3.078 396 V HA 0.692 4.794 4.120 -0.030 0.000 0.311 396 V C -1.052 175.101 176.094 0.098 0.000 1.138 396 V CA -1.204 61.160 62.300 0.107 0.000 1.007 396 V CB 2.423 34.289 31.823 0.073 0.000 1.045 396 V HN 0.655 8.845 8.190 -0.000 0.000 0.432 397 D N 2.227 122.700 120.400 0.122 0.000 2.373 397 D HA 0.433 5.054 4.640 -0.030 0.000 0.227 397 D C 0.553 176.923 176.300 0.115 0.000 1.091 397 D CA -0.445 53.614 54.000 0.098 0.000 0.840 397 D CB 1.507 42.359 40.800 0.087 0.000 1.060 397 D HN 0.786 9.156 8.370 -0.000 0.000 0.502 398 I N 1.147 121.762 120.570 0.075 0.000 3.941 398 I HA 0.429 4.581 4.170 -0.030 0.000 0.335 398 I C 1.132 177.282 176.117 0.055 0.000 1.402 398 I CA -0.458 60.888 61.300 0.076 0.000 1.112 398 I CB 0.114 38.124 38.000 0.016 0.000 1.043 398 I HN 0.439 8.649 8.210 -0.000 0.000 0.395 399 G N 2.454 111.284 108.800 0.050 0.000 2.574 399 G HA2 -0.304 3.638 3.960 -0.030 0.000 0.286 399 G HA3 -0.304 3.638 3.960 -0.030 0.000 0.286 399 G C 0.101 175.018 174.900 0.027 0.000 1.212 399 G CA 0.777 45.901 45.100 0.039 0.000 0.979 399 G HN 0.837 9.127 8.290 -0.000 0.000 0.557 400 T N -3.253 111.315 114.554 0.024 0.000 2.883 400 T HA 0.567 4.899 4.350 -0.030 0.000 0.296 400 T C 0.008 174.716 174.700 0.013 0.000 1.117 400 T CA -0.024 62.087 62.100 0.018 0.000 1.006 400 T CB 1.571 70.450 68.868 0.018 0.000 1.191 400 T HN 1.256 9.496 8.240 -0.000 0.000 0.508 401 c N 2.278 120.883 118.600 0.007 0.000 2.601 401 c HA 0.636 5.188 4.570 -0.030 0.000 0.409 401 c C 1.340 175.422 174.090 -0.013 0.000 1.293 401 c CA -0.262 56.064 56.329 -0.004 0.000 2.101 401 c CB -0.092 42.408 42.510 -0.017 0.000 2.639 401 c HN 0.970 9.200 8.230 -0.000 0.000 0.592 402 S N 0.000 115.689 115.700 -0.018 0.000 2.498 402 S HA 0.000 4.452 4.470 -0.030 0.000 0.327 402 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 402 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 402 S HN 0.000 8.310 8.310 -0.000 0.000 0.517