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 2ksv_1_A DATA FIRST_RESID 136 DATA SEQUENCE LASVIPDVAT LNSLFNQIKN QScGTSTASS PcITFRYPVD GCYARAHKMR DATA SEQUENCE QILMNNGYDC EKQFVYGNLK ASTGTccVAW SYHVAILVSY KNASGVTEKR DATA SEQUENCE IIDPSLFSSG PVTDTAWRNA CVNTScGSAS VSSYANTAGN VYYRSPSNSY DATA SEQUENCE LYDNNLINTN cVLTKFSLLS GcSPSPAPDV SScGF 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 136 L HA 0.000 4.253 4.340 -0.145 0.000 0.249 136 L C 0.000 176.795 176.870 -0.125 0.000 1.165 136 L CA 0.000 54.782 54.840 -0.097 0.000 0.813 136 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 137 A N -0.348 122.392 122.820 -0.132 0.000 2.476 137 A HA 0.369 4.673 4.320 -0.027 0.000 0.280 137 A C -0.223 177.443 177.584 0.138 0.000 1.081 137 A CA 0.199 52.202 52.037 -0.056 0.000 0.753 137 A CB 1.177 20.004 19.000 -0.289 0.000 1.248 137 A HN 0.161 8.249 8.150 -0.103 0.000 0.424 138 S N 5.103 120.867 115.700 0.106 0.000 2.671 138 S HA 0.028 4.840 4.470 0.124 -0.267 0.220 138 S C -1.303 173.371 174.600 0.124 0.000 0.951 138 S CA 0.837 59.103 58.200 0.110 0.000 0.932 138 S CB 0.576 63.816 63.200 0.066 0.000 0.777 138 S HN 0.336 8.686 8.310 0.066 0.000 0.508 139 V N -1.736 118.287 119.914 0.181 0.000 3.048 139 V HA 0.356 4.731 4.120 0.110 -0.190 0.303 139 V C -1.827 174.408 176.094 0.234 0.000 1.214 139 V CA -1.663 60.727 62.300 0.149 0.000 0.984 139 V CB 3.514 35.389 31.823 0.086 0.000 1.054 139 V HN -0.779 7.454 8.190 0.233 0.096 0.430 140 I N 3.323 123.967 120.570 0.123 0.000 2.437 140 I HA 0.363 4.615 4.170 0.136 0.000 0.298 140 I C -1.271 174.910 176.117 0.107 0.000 0.984 140 I CA -2.516 58.820 61.300 0.060 0.000 1.214 140 I CB 2.296 40.235 38.000 -0.102 0.000 1.365 140 I HN 0.682 8.831 8.210 0.094 0.117 0.469 141 P HA 0.001 4.474 4.420 0.089 0.000 0.220 141 P C -1.431 175.915 177.300 0.076 0.000 1.152 141 P CA 0.688 63.848 63.100 0.100 0.000 0.812 141 P CB 0.615 32.384 31.700 0.114 0.000 0.792 142 D N -6.622 113.819 120.400 0.068 0.000 2.654 142 D HA 0.157 4.860 4.640 0.104 0.000 0.231 142 D C 0.398 176.723 176.300 0.041 0.000 1.239 142 D CA -1.292 52.750 54.000 0.071 0.000 0.790 142 D CB 2.951 43.778 40.800 0.045 0.000 1.480 142 D HN -0.895 7.502 8.370 0.045 0.000 0.442 143 V N 1.426 121.371 119.914 0.052 0.000 2.370 143 V HA -0.540 3.469 4.120 -0.185 0.000 0.252 143 V C 1.504 177.540 176.094 -0.097 0.000 1.068 143 V CA 4.123 66.369 62.300 -0.090 0.000 1.061 143 V CB -0.266 31.483 31.823 -0.123 0.000 0.656 143 V HN 0.665 8.917 8.190 0.104 0.000 0.455 144 A N -2.308 120.484 122.820 -0.046 0.000 1.915 144 A HA -0.345 3.948 4.320 -0.045 0.000 0.220 144 A C 2.784 180.333 177.584 -0.058 0.000 1.198 144 A CA 3.255 55.268 52.037 -0.041 0.000 0.647 144 A CB -1.086 17.906 19.000 -0.013 0.000 0.825 144 A HN 0.253 8.384 8.150 -0.017 0.009 0.456 145 T N 0.752 115.262 114.554 -0.074 0.000 2.857 145 T HA -0.292 4.014 4.350 -0.073 0.000 0.266 145 T C 1.592 176.171 174.700 -0.201 0.000 1.048 145 T CA 4.089 66.111 62.100 -0.130 0.000 1.139 145 T CB -0.036 68.728 68.868 -0.172 0.000 0.874 145 T HN -0.366 7.751 8.240 -0.057 0.089 0.455 146 L N 2.447 123.547 121.223 -0.204 0.000 1.970 146 L HA -0.465 3.723 4.340 -0.253 0.000 0.212 146 L C 1.158 177.952 176.870 -0.127 0.000 1.071 146 L CA 3.850 58.558 54.840 -0.220 0.000 0.751 146 L CB -0.155 41.716 42.059 -0.314 0.000 0.889 146 L HN -0.642 7.376 8.230 -0.172 0.109 0.432 147 N N -2.097 116.541 118.700 -0.103 0.000 2.192 147 N HA -0.402 4.352 4.740 0.024 0.000 0.188 147 N C 2.702 178.209 175.510 -0.005 0.000 1.013 147 N CA 3.299 56.330 53.050 -0.032 0.000 0.863 147 N CB -0.660 37.792 38.487 -0.058 0.000 0.990 147 N HN 0.451 8.650 8.380 -0.133 0.102 0.430 148 S N 1.125 116.805 115.700 -0.034 0.000 2.338 148 S HA -0.198 4.262 4.470 -0.017 0.000 0.218 148 S C 1.826 176.436 174.600 0.017 0.000 1.032 148 S CA 2.928 61.119 58.200 -0.015 0.000 0.999 148 S CB -0.381 62.808 63.200 -0.017 0.000 0.905 148 S HN -0.749 7.398 8.310 -0.064 0.125 0.439 149 L N 0.426 121.641 121.223 -0.014 0.000 2.064 149 L HA -0.453 3.907 4.340 0.034 0.000 0.216 149 L C 2.257 179.189 176.870 0.104 0.000 1.077 149 L CA 3.368 58.215 54.840 0.011 0.000 0.766 149 L CB -0.465 41.548 42.059 -0.076 0.000 0.890 149 L HN 0.272 8.454 8.230 -0.080 0.000 0.435 150 F N -0.832 119.065 119.950 -0.088 0.000 2.163 150 F HA -0.254 4.231 4.527 -0.071 0.000 0.297 150 F C 1.577 177.334 175.800 -0.072 0.000 1.094 150 F CA 0.419 58.369 58.000 -0.083 0.000 1.290 150 F CB -0.360 38.578 39.000 -0.103 0.000 1.017 150 F HN -0.258 8.146 8.300 0.175 0.002 0.483 151 N N -0.562 118.163 118.700 0.042 0.000 2.137 151 N HA -0.516 4.096 4.740 -0.215 0.000 0.190 151 N C 2.146 177.640 175.510 -0.027 0.000 1.017 151 N CA 3.933 56.934 53.050 -0.082 0.000 0.859 151 N CB 0.076 38.527 38.487 -0.060 0.000 1.002 151 N HN 0.055 8.274 8.380 0.063 0.199 0.428 152 Q N -0.810 119.013 119.800 0.038 0.000 2.008 152 Q HA -0.229 4.125 4.340 0.024 0.000 0.196 152 Q C 2.740 178.784 176.000 0.073 0.000 0.973 152 Q CA 2.856 58.688 55.803 0.047 0.000 0.826 152 Q CB 0.261 29.033 28.738 0.058 0.000 0.894 152 Q HN -0.179 8.120 8.270 0.063 0.008 0.439 153 I N 0.700 121.347 120.570 0.129 0.000 2.399 153 I HA -0.496 3.759 4.170 0.141 0.000 0.254 153 I C 2.401 178.600 176.117 0.136 0.000 1.146 153 I CA 3.521 64.919 61.300 0.164 0.000 1.412 153 I CB -0.412 37.703 38.000 0.191 0.000 1.076 153 I HN -0.212 8.086 8.210 0.147 0.000 0.432 154 K N -0.801 119.639 120.400 0.066 0.000 2.155 154 K HA -0.252 3.955 4.320 -0.188 0.000 0.203 154 K C 2.371 178.927 176.600 -0.072 0.000 1.052 154 K CA 3.194 59.415 56.287 -0.110 0.000 0.948 154 K CB -0.234 32.088 32.500 -0.297 0.000 0.728 154 K HN 0.544 8.629 8.250 0.084 0.215 0.448 155 N N -0.678 118.010 118.700 -0.020 0.000 2.443 155 N HA -0.240 4.486 4.740 -0.023 0.000 0.184 155 N C 1.074 176.610 175.510 0.043 0.000 1.037 155 N CA 2.459 55.509 53.050 -0.000 0.000 0.896 155 N CB -0.244 38.248 38.487 0.009 0.000 0.959 155 N HN 0.198 8.438 8.380 -0.005 0.137 0.442 156 Q N -3.401 116.451 119.800 0.087 0.000 2.389 156 Q HA -0.003 4.403 4.340 0.109 0.000 0.204 156 Q C -0.033 176.114 176.000 0.245 0.000 0.944 156 Q CA -0.942 54.953 55.803 0.154 0.000 0.908 156 Q CB 0.075 28.929 28.738 0.194 0.000 1.002 156 Q HN -0.602 7.535 8.270 0.085 0.183 0.493 157 S N 0.945 116.764 115.700 0.200 0.000 2.715 157 S HA -0.371 4.485 4.470 0.643 0.000 0.318 157 S C 0.244 174.999 174.600 0.258 0.000 1.242 157 S CA 0.670 59.025 58.200 0.257 0.000 1.044 157 S CB -0.185 62.986 63.200 -0.047 0.000 0.760 157 S HN -0.111 8.051 8.310 0.059 0.184 0.501 158 c N 4.519 123.327 118.600 0.347 0.000 2.634 158 c HA -0.242 4.411 4.570 0.139 0.000 0.418 158 c C 1.377 175.545 174.090 0.131 0.000 1.373 158 c CA 2.767 59.207 56.329 0.185 0.000 1.756 158 c CB -2.081 40.520 42.510 0.152 0.000 2.589 158 c HN -0.145 8.441 8.230 0.592 0.000 0.602 159 G N 7.463 116.313 108.800 0.084 0.000 2.316 159 G HA2 -0.169 3.819 3.960 0.047 0.000 0.203 159 G HA3 -0.169 3.827 3.960 0.060 0.000 0.203 159 G C -0.634 174.290 174.900 0.041 0.000 0.999 159 G CA -0.347 44.787 45.100 0.057 0.000 0.649 159 G HN 0.636 8.970 8.290 0.074 0.000 0.489 160 T N -2.365 112.216 114.554 0.045 0.000 2.828 160 T HA 0.194 4.555 4.350 0.019 0.000 0.290 160 T C 1.031 175.746 174.700 0.026 0.000 1.019 160 T CA -1.453 60.664 62.100 0.029 0.000 1.031 160 T CB 1.281 70.165 68.868 0.027 0.000 1.001 160 T HN -0.600 7.619 8.240 0.064 0.060 0.531 161 S N 0.960 116.670 115.700 0.017 0.000 2.575 161 S HA 0.128 4.608 4.470 0.016 0.000 0.215 161 S C 0.352 174.961 174.600 0.015 0.000 0.966 161 S CA 1.923 60.131 58.200 0.014 0.000 0.911 161 S CB -0.035 63.170 63.200 0.009 0.000 0.780 161 S HN 0.545 8.862 8.310 0.012 0.000 0.514 162 T N 1.100 115.665 114.554 0.018 0.000 3.084 162 T HA 0.087 4.447 4.350 0.016 0.000 0.270 162 T C -1.660 173.057 174.700 0.028 0.000 1.008 162 T CA -0.787 61.324 62.100 0.018 0.000 0.900 162 T CB 0.507 69.382 68.868 0.013 0.000 1.084 162 T HN -0.083 8.109 8.240 0.019 0.059 0.538 163 A N 1.304 124.146 122.820 0.037 0.000 2.363 163 A HA 0.084 4.680 4.320 0.061 -0.239 0.270 163 A C -0.213 177.395 177.584 0.041 0.000 1.121 163 A CA -0.449 51.621 52.037 0.054 0.000 0.800 163 A CB 0.857 19.902 19.000 0.076 0.000 1.052 163 A HN -0.962 7.158 8.150 0.035 0.051 0.493 164 S N 0.933 116.658 115.700 0.041 0.000 2.629 164 S HA -0.028 4.453 4.470 0.018 0.000 0.250 164 S C -1.281 173.329 174.600 0.016 0.000 1.318 164 S CA 0.467 58.681 58.200 0.023 0.000 0.970 164 S CB 0.857 64.068 63.200 0.018 0.000 0.996 164 S HN 0.176 8.517 8.310 0.053 0.000 0.563 165 S N -0.484 115.218 115.700 0.003 0.000 2.592 165 S HA 0.302 4.884 4.470 -0.005 -0.115 0.275 165 S C -2.532 172.056 174.600 -0.019 0.000 1.169 165 S CA -1.432 56.764 58.200 -0.006 0.000 0.958 165 S CB 1.440 64.637 63.200 -0.004 0.000 1.095 165 S HN -0.027 8.282 8.310 -0.002 0.000 0.471 166 P HA 0.339 4.745 4.420 -0.023 0.000 0.280 166 P C -1.402 175.882 177.300 -0.026 0.000 1.244 166 P CA -0.342 62.738 63.100 -0.033 0.000 0.784 166 P CB 0.903 32.568 31.700 -0.057 0.000 0.913 167 c N -1.734 116.861 118.600 -0.007 0.000 2.640 167 c HA 0.160 4.746 4.570 0.027 0.000 0.330 167 c C 0.286 174.354 174.090 -0.037 0.000 1.416 167 c CA -2.118 54.221 56.329 0.016 0.000 2.396 167 c CB 0.439 42.985 42.510 0.060 0.000 2.330 167 c HN 0.106 8.335 8.230 -0.001 0.000 0.704 168 I N 1.095 121.629 120.570 -0.061 0.000 2.371 168 I HA 0.045 4.041 4.170 -0.289 0.000 0.290 168 I C -0.107 175.749 176.117 -0.435 0.000 1.028 168 I CA -0.360 60.718 61.300 -0.371 0.000 1.345 168 I CB 1.031 38.626 38.000 -0.676 0.000 1.407 168 I HN -0.030 8.222 8.210 0.071 0.000 0.501 169 T N 6.148 120.529 114.554 -0.289 0.000 3.182 169 T HA 0.008 4.376 4.350 0.030 0.000 0.274 169 T C -0.384 174.244 174.700 -0.120 0.000 0.997 169 T CA -0.347 61.720 62.100 -0.055 0.000 1.082 169 T CB -1.156 67.819 68.868 0.178 0.000 1.005 169 T HN 0.416 8.524 8.240 -0.221 0.000 0.688 170 F N 4.818 124.832 119.950 0.106 0.000 2.473 170 F HA -0.059 4.502 4.527 0.057 0.000 0.294 170 F C 1.254 177.103 175.800 0.081 0.000 1.103 170 F CA 1.660 59.706 58.000 0.077 0.000 1.442 170 F CB -0.002 39.040 39.000 0.070 0.000 1.097 170 F HN -0.522 7.915 8.300 0.228 0.000 0.547 171 R N -0.938 119.724 120.500 0.269 0.000 2.323 171 R HA -0.203 4.241 4.340 0.174 0.000 0.198 171 R C -0.908 175.522 176.300 0.217 0.000 0.988 171 R CA 0.620 56.839 56.100 0.198 0.000 1.041 171 R CB -1.020 29.376 30.300 0.160 0.000 0.926 171 R HN 0.090 8.521 8.270 0.268 0.000 0.476 172 Y N 2.140 122.473 120.300 0.055 0.000 2.562 172 Y HA 0.687 5.537 4.550 0.015 -0.291 0.363 172 Y C -2.898 172.994 175.900 -0.013 0.000 0.991 172 Y CA -4.550 53.559 58.100 0.013 0.000 1.121 172 Y CB 0.092 38.556 38.460 0.007 0.000 1.159 172 Y HN -0.919 7.430 8.280 0.247 0.079 0.651 173 P HA 0.174 4.431 4.420 -0.271 0.000 0.276 173 P C -1.730 175.385 177.300 -0.308 0.000 1.264 173 P CA -0.060 62.916 63.100 -0.206 0.000 0.769 173 P CB 1.009 32.719 31.700 0.016 0.000 0.840 174 V N 3.741 123.355 119.914 -0.500 0.000 4.732 174 V HA -0.011 4.093 4.120 -0.026 0.000 0.145 174 V C -0.829 174.992 176.094 -0.456 0.000 1.249 174 V CA 0.941 63.014 62.300 -0.378 0.000 1.164 174 V CB 1.614 33.021 31.823 -0.693 0.000 1.415 174 V HN -0.046 7.791 8.190 -0.590 0.000 0.617 175 D N -1.731 118.347 120.400 -0.538 0.000 2.753 175 D HA 0.055 4.284 4.640 -0.685 0.000 0.291 175 D C 0.530 176.559 176.300 -0.453 0.000 1.075 175 D CA 0.502 54.220 54.000 -0.470 0.000 0.946 175 D CB 2.116 42.822 40.800 -0.156 0.000 1.376 175 D HN -0.037 7.978 8.370 -0.592 0.000 0.482 176 G N 0.621 109.221 108.800 -0.333 0.000 2.148 176 G HA2 -0.217 3.462 3.960 -0.469 0.000 0.275 176 G HA3 -0.217 3.657 3.960 -0.143 0.000 0.275 176 G C -0.947 173.696 174.900 -0.429 0.000 0.979 176 G CA 0.946 45.847 45.100 -0.330 0.000 1.154 176 G HN 0.079 8.189 8.290 -0.301 0.000 0.377 177 C N 3.272 122.264 119.300 -0.513 0.000 2.904 177 C HA 0.083 4.415 4.460 -0.213 0.000 0.524 177 C C 1.038 175.867 174.990 -0.270 0.000 1.313 177 C CA 0.695 59.528 59.018 -0.308 0.000 2.614 177 C CB 1.616 29.216 27.740 -0.233 0.000 3.335 177 C HN 0.062 7.822 8.230 -0.783 0.000 0.519 178 Y N -0.056 120.160 120.300 -0.140 0.000 2.206 178 Y HA -0.315 4.106 4.550 -0.216 0.000 0.292 178 Y C 0.652 176.613 175.900 0.101 0.000 1.123 178 Y CA 3.278 61.321 58.100 -0.096 0.000 1.142 178 Y CB -2.208 36.243 38.460 -0.015 0.000 1.006 178 Y HN 0.284 8.324 8.280 -0.399 0.000 0.518 179 A N 1.442 124.086 122.820 -0.294 0.000 1.863 179 A HA -0.453 4.241 4.320 0.623 0.000 0.218 179 A C 1.969 179.609 177.584 0.093 0.000 1.233 179 A CA 3.139 55.226 52.037 0.083 0.000 0.655 179 A CB -0.911 17.963 19.000 -0.209 0.000 0.839 179 A HN 0.262 7.410 8.150 -1.671 0.000 0.454 180 R N -1.667 118.783 120.500 -0.083 0.000 2.096 180 R HA -0.467 3.835 4.340 -0.064 0.000 0.240 180 R C 1.633 177.966 176.300 0.055 0.000 1.139 180 R CA 2.535 58.599 56.100 -0.061 0.000 0.952 180 R CB -1.323 28.868 30.300 -0.183 0.000 0.854 180 R HN -0.192 7.954 8.270 -0.206 0.000 0.436 181 A N 0.582 123.430 122.820 0.045 0.000 1.882 181 A HA -0.475 3.854 4.320 0.015 0.000 0.220 181 A C 1.821 179.505 177.584 0.166 0.000 1.253 181 A CA 3.169 55.240 52.037 0.056 0.000 0.664 181 A CB -1.076 17.918 19.000 -0.010 0.000 0.838 181 A HN -0.494 7.587 8.150 -0.013 0.061 0.460 182 H N -1.108 118.043 119.070 0.136 0.000 2.394 182 H HA -0.288 4.355 4.556 0.145 0.000 0.297 182 H C 2.556 177.940 175.328 0.092 0.000 1.113 182 H CA 2.733 58.878 56.048 0.161 0.000 1.277 182 H CB -0.307 29.627 29.762 0.288 0.000 1.370 182 H HN -0.074 8.437 8.280 0.386 0.000 0.506 183 K N -1.886 118.592 120.400 0.130 0.000 1.973 183 K HA -0.304 3.997 4.320 -0.032 0.000 0.210 183 K C 2.552 179.193 176.600 0.067 0.000 1.045 183 K CA 2.313 58.624 56.287 0.041 0.000 0.937 183 K CB -0.563 31.960 32.500 0.038 0.000 0.721 183 K HN -0.098 8.129 8.250 0.162 0.121 0.438 184 M N -1.873 117.785 119.600 0.096 0.000 2.128 184 M HA -0.546 3.998 4.480 0.107 0.000 0.253 184 M C 2.112 178.453 176.300 0.068 0.000 1.079 184 M CA 4.166 59.518 55.300 0.087 0.000 1.082 184 M CB -0.595 32.040 32.600 0.058 0.000 1.335 184 M HN 0.304 8.553 8.290 0.106 0.105 0.401 185 R N -1.274 119.275 120.500 0.082 0.000 2.083 185 R HA -0.293 4.089 4.340 0.070 0.000 0.237 185 R C 2.078 178.421 176.300 0.072 0.000 1.137 185 R CA 2.861 59.014 56.100 0.089 0.000 0.951 185 R CB -1.052 29.341 30.300 0.154 0.000 0.851 185 R HN 0.067 8.395 8.270 0.107 0.006 0.434 186 Q N -0.608 119.219 119.800 0.046 0.000 2.152 186 Q HA -0.253 4.102 4.340 0.025 0.000 0.206 186 Q C 2.619 178.644 176.000 0.040 0.000 0.985 186 Q CA 2.802 58.618 55.803 0.022 0.000 0.863 186 Q CB -0.821 27.904 28.738 -0.023 0.000 0.904 186 Q HN 0.045 8.253 8.270 0.035 0.083 0.422 187 I N -0.808 119.794 120.570 0.053 0.000 2.439 187 I HA -0.284 3.919 4.170 0.055 0.000 0.251 187 I C 2.134 178.297 176.117 0.076 0.000 1.139 187 I CA 0.643 61.981 61.300 0.063 0.000 1.438 187 I CB -1.624 36.421 38.000 0.075 0.000 1.085 187 I HN -0.516 7.614 8.210 0.056 0.115 0.427 188 L N 0.981 122.252 121.223 0.081 0.000 2.017 188 L HA -0.508 3.902 4.340 0.116 0.000 0.208 188 L C 2.036 178.985 176.870 0.130 0.000 1.073 188 L CA 4.003 58.909 54.840 0.110 0.000 0.745 188 L CB -0.108 42.008 42.059 0.096 0.000 0.894 188 L HN -0.023 8.124 8.230 0.072 0.126 0.432 189 M N -2.055 117.599 119.600 0.090 0.000 2.149 189 M HA -0.550 3.969 4.480 0.065 0.000 0.261 189 M C 2.245 178.577 176.300 0.053 0.000 1.064 189 M CA 4.098 59.436 55.300 0.065 0.000 1.102 189 M CB -0.500 32.129 32.600 0.047 0.000 1.369 189 M HN 0.040 8.377 8.290 0.078 0.000 0.408 190 N N -1.409 117.326 118.700 0.058 0.000 2.036 190 N HA -0.302 4.458 4.740 0.034 0.000 0.195 190 N C 1.512 177.059 175.510 0.062 0.000 1.037 190 N CA 3.064 56.144 53.050 0.049 0.000 0.855 190 N CB -0.168 38.349 38.487 0.050 0.000 1.033 190 N HN -0.519 7.793 8.380 0.062 0.105 0.423 191 N N -1.706 117.059 118.700 0.109 0.000 2.244 191 N HA -0.176 4.635 4.740 0.119 0.000 0.183 191 N C 0.093 175.671 175.510 0.114 0.000 1.016 191 N CA 0.889 54.037 53.050 0.164 0.000 0.866 191 N CB 0.830 39.483 38.487 0.277 0.000 0.980 191 N HN -0.532 7.849 8.380 0.122 0.073 0.430 192 G N -1.611 107.222 108.800 0.055 0.000 2.618 192 G HA2 -0.262 3.716 3.960 -0.106 0.000 0.180 192 G HA3 -0.262 3.540 3.960 -0.264 0.000 0.180 192 G C -1.906 172.710 174.900 -0.473 0.000 1.092 192 G CA -0.058 44.934 45.100 -0.181 0.000 0.856 192 G HN -0.201 8.049 8.290 0.113 0.108 0.496 193 Y N -2.640 117.673 120.300 0.021 0.000 2.442 193 Y HA 0.116 4.830 4.550 0.022 -0.152 0.330 193 Y C -1.861 174.053 175.900 0.023 0.000 1.100 193 Y CA -0.879 57.234 58.100 0.022 0.000 1.034 193 Y CB 3.553 42.025 38.460 0.021 0.000 1.285 193 Y HN -0.616 7.751 8.280 0.145 0.000 0.440 194 D N 1.711 122.209 120.400 0.164 0.000 2.280 194 D HA 0.297 4.999 4.640 0.102 0.000 0.236 194 D C -0.531 175.828 176.300 0.098 0.000 1.082 194 D CA -1.701 52.364 54.000 0.108 0.000 0.834 194 D CB 1.972 42.817 40.800 0.076 0.000 1.100 194 D HN 0.406 8.718 8.370 0.157 0.153 0.486 195 C N 2.599 121.942 119.300 0.071 0.000 2.484 195 C HA 0.343 4.824 4.460 0.034 0.000 0.409 195 C C -1.325 173.674 174.990 0.014 0.000 1.434 195 C CA -2.570 56.466 59.018 0.030 0.000 1.913 195 C CB 3.849 31.585 27.740 -0.005 0.000 2.028 195 C HN 0.417 8.691 8.230 0.073 0.000 0.516 196 E N -2.769 117.419 120.200 -0.020 0.000 2.393 196 E HA 0.289 4.732 4.350 -0.018 -0.103 0.265 196 E C -0.507 176.050 176.600 -0.071 0.000 0.941 196 E CA -1.456 54.925 56.400 -0.032 0.000 0.801 196 E CB 3.954 33.643 29.700 -0.019 0.000 1.313 196 E HN 0.358 8.583 8.360 -0.042 0.110 0.435 197 K N -1.248 119.107 120.400 -0.076 0.000 2.221 197 K HA 0.609 5.006 4.320 -0.133 -0.156 0.243 197 K C -0.846 175.734 176.600 -0.034 0.000 0.968 197 K CA -2.349 53.886 56.287 -0.086 0.000 0.846 197 K CB 3.061 35.519 32.500 -0.070 0.000 1.141 197 K HN 0.700 8.781 8.250 -0.076 0.123 0.434 198 Q N 0.564 120.342 119.800 -0.036 0.000 2.296 198 Q HA 0.465 5.090 4.340 0.187 -0.173 0.254 198 Q C -2.209 173.874 176.000 0.138 0.000 0.936 198 Q CA -0.431 55.443 55.803 0.119 0.000 0.834 198 Q CB 3.835 32.647 28.738 0.124 0.000 1.340 198 Q HN 0.056 8.231 8.270 -0.159 0.000 0.428 199 F N 6.186 126.194 119.950 0.097 0.000 2.402 199 F HA 0.589 5.272 4.527 -0.023 -0.170 0.355 199 F C -1.149 174.713 175.800 0.103 0.000 1.123 199 F CA -0.921 57.088 58.000 0.014 0.000 1.021 199 F CB 2.736 41.677 39.000 -0.099 0.000 1.160 199 F HN 0.415 8.986 8.300 0.452 0.000 0.451 200 V N 3.865 123.842 119.914 0.106 0.000 2.630 200 V HA 0.452 4.960 4.120 0.448 -0.119 0.305 200 V C -2.203 173.919 176.094 0.047 0.000 1.046 200 V CA -2.462 59.947 62.300 0.182 0.000 0.934 200 V CB 3.164 34.994 31.823 0.011 0.000 1.003 200 V HN 0.730 8.896 8.190 -0.040 0.000 0.451 201 Y N 3.541 123.964 120.300 0.204 0.000 2.587 201 Y HA 0.535 5.387 4.550 0.301 -0.122 0.337 201 Y C 0.107 176.092 175.900 0.141 0.000 1.065 201 Y CA -2.225 56.000 58.100 0.208 0.000 1.126 201 Y CB 3.073 41.628 38.460 0.158 0.000 1.279 201 Y HN 0.847 9.402 8.280 0.644 0.112 0.489 202 G N -0.445 108.528 108.800 0.288 0.000 2.384 202 G HA2 -0.321 3.734 3.960 0.158 0.000 0.668 202 G HA3 -0.321 3.925 3.960 0.140 -0.202 0.668 202 G C -2.200 172.771 174.900 0.118 0.000 1.280 202 G CA -0.588 44.614 45.100 0.170 0.000 0.992 202 G HN 0.677 9.080 8.290 0.328 0.083 0.512 203 N N 2.062 120.796 118.700 0.057 0.000 2.416 203 N HA -0.065 4.690 4.740 0.024 0.000 0.265 203 N C -0.720 174.760 175.510 -0.051 0.000 1.195 203 N CA 0.111 53.164 53.050 0.005 0.000 0.943 203 N CB -0.192 38.284 38.487 -0.018 0.000 1.115 203 N HN -0.195 8.215 8.380 0.050 0.000 0.481 204 L N 7.265 128.437 121.223 -0.086 0.000 2.335 204 L HA 0.379 4.633 4.340 -0.184 -0.024 0.268 204 L C -0.821 175.762 176.870 -0.479 0.000 1.037 204 L CA -1.041 53.680 54.840 -0.198 0.000 0.895 204 L CB -0.514 41.526 42.059 -0.032 0.000 1.266 204 L HN 0.854 8.953 8.230 -0.046 0.104 0.439 205 K N 2.899 123.052 120.400 -0.412 0.000 2.209 205 K HA 1.009 5.169 4.320 -0.595 -0.197 0.238 205 K C -0.884 175.383 176.600 -0.555 0.000 1.028 205 K CA -1.387 54.612 56.287 -0.479 0.000 0.935 205 K CB 2.385 34.713 32.500 -0.286 0.000 1.162 205 K HN 0.069 8.146 8.250 -0.288 0.000 0.485 206 A N -4.072 118.466 122.820 -0.471 0.000 2.549 206 A HA 0.261 4.396 4.320 -0.310 0.000 0.291 206 A C -2.675 174.752 177.584 -0.262 0.000 1.034 206 A CA -0.215 51.591 52.037 -0.385 0.000 0.655 206 A CB 2.073 20.767 19.000 -0.510 0.000 1.299 206 A HN -0.215 7.695 8.150 -0.401 0.000 0.427 207 S N -0.565 115.021 115.700 -0.190 0.000 2.575 207 S HA 0.273 4.665 4.470 -0.130 0.000 0.278 207 S C -0.351 174.189 174.600 -0.099 0.000 1.139 207 S CA -1.366 56.755 58.200 -0.131 0.000 0.954 207 S CB 1.651 64.785 63.200 -0.110 0.000 1.054 207 S HN 0.160 8.357 8.310 -0.188 0.000 0.483 208 T N 4.108 118.620 114.554 -0.071 0.000 3.054 208 T HA 0.267 4.586 4.350 -0.050 0.000 0.255 208 T C 1.269 175.949 174.700 -0.034 0.000 1.035 208 T CA -0.867 61.207 62.100 -0.045 0.000 0.941 208 T CB 0.818 69.672 68.868 -0.022 0.000 1.026 208 T HN 0.321 8.520 8.240 -0.068 0.000 0.533 209 G N 1.623 110.399 108.800 -0.040 0.000 2.268 209 G HA2 -0.351 3.588 3.960 -0.034 0.000 0.240 209 G HA3 -0.351 3.593 3.960 -0.026 0.000 0.240 209 G C 0.229 175.116 174.900 -0.022 0.000 1.010 209 G CA 0.435 45.517 45.100 -0.030 0.000 0.618 209 G HN -0.314 7.900 8.290 -0.051 0.045 0.516 210 T N 2.209 116.753 114.554 -0.018 0.000 2.971 210 T HA 0.169 4.513 4.350 -0.010 0.000 0.252 210 T C -0.745 173.948 174.700 -0.012 0.000 1.022 210 T CA 0.221 62.315 62.100 -0.010 0.000 0.980 210 T CB 1.239 70.108 68.868 0.001 0.000 1.044 210 T HN -0.299 7.829 8.240 -0.019 0.100 0.501 211 c N -2.473 116.114 118.600 -0.021 0.000 3.292 211 c HA 0.196 4.749 4.570 -0.028 0.000 0.368 211 c C -2.045 172.014 174.090 -0.051 0.000 1.141 211 c CA -1.772 54.541 56.329 -0.027 0.000 1.194 211 c CB 2.191 44.696 42.510 -0.010 0.000 1.533 211 c HN -0.441 7.772 8.230 -0.027 0.000 0.532 212 c N 2.950 121.508 118.600 -0.070 0.000 2.349 212 c HA 0.539 5.119 4.570 -0.130 -0.087 0.361 212 c C -0.595 173.411 174.090 -0.141 0.000 1.189 212 c CA -1.529 54.729 56.329 -0.119 0.000 2.155 212 c CB 0.936 43.369 42.510 -0.127 0.000 2.336 212 c HN 0.271 8.465 8.230 -0.060 0.000 0.540 213 V N -0.322 119.437 119.914 -0.258 0.000 2.876 213 V HA 0.366 4.379 4.120 -0.177 0.000 0.312 213 V C -2.650 173.027 176.094 -0.695 0.000 1.085 213 V CA -1.824 60.267 62.300 -0.347 0.000 0.945 213 V CB 2.836 34.549 31.823 -0.184 0.000 1.017 213 V HN 0.155 8.048 8.190 -0.324 0.102 0.428 214 A N 0.953 123.380 122.820 -0.656 0.000 2.398 214 A HA 0.667 4.746 4.320 -0.790 -0.233 0.301 214 A C -1.404 175.942 177.584 -0.396 0.000 1.041 214 A CA -1.132 50.544 52.037 -0.602 0.000 0.711 214 A CB 3.023 21.873 19.000 -0.251 0.000 1.240 214 A HN 0.098 8.037 8.150 -0.351 0.000 0.420 215 W N 3.267 124.528 121.300 -0.065 0.000 2.998 215 W HA 0.360 5.015 4.660 -0.008 0.000 0.335 215 W C -0.701 175.830 176.519 0.020 0.000 1.110 215 W CA -1.670 55.645 57.345 -0.049 0.000 1.230 215 W CB 3.008 32.376 29.460 -0.154 0.000 1.405 215 W HN 0.836 8.643 8.180 -0.408 0.128 0.493 216 S N -0.712 115.190 115.700 0.338 0.000 2.603 216 S HA -0.083 4.670 4.470 0.211 -0.156 0.220 216 S C -1.216 173.634 174.600 0.416 0.000 0.967 216 S CA 1.355 59.745 58.200 0.316 0.000 0.920 216 S CB 0.426 63.806 63.200 0.300 0.000 0.773 216 S HN 0.379 8.926 8.310 0.394 0.000 0.529 217 Y N -5.538 114.856 120.300 0.155 0.000 2.318 217 Y HA 0.511 5.198 4.550 -0.006 -0.140 0.317 217 Y C -2.787 173.164 175.900 0.085 0.000 1.290 217 Y CA -1.164 56.946 58.100 0.017 0.000 1.177 217 Y CB 1.332 39.695 38.460 -0.161 0.000 1.307 217 Y HN -0.987 7.395 8.280 0.303 0.080 0.428 218 H N 2.807 121.735 119.070 -0.236 0.000 2.676 218 H HA 0.427 4.656 4.556 -0.543 0.000 0.352 218 H C -2.504 172.620 175.328 -0.340 0.000 1.193 218 H CA -1.973 53.885 56.048 -0.316 0.000 1.243 218 H CB 4.523 34.236 29.762 -0.081 0.000 1.751 218 H HN 0.292 8.582 8.280 0.017 0.000 0.567 219 V N 0.411 119.605 119.914 -1.200 0.000 2.851 219 V HA 0.923 4.813 4.120 -0.792 -0.246 0.307 219 V C -2.540 173.020 176.094 -0.891 0.000 1.129 219 V CA -1.929 59.714 62.300 -1.095 0.000 0.932 219 V CB 3.432 34.245 31.823 -1.684 0.000 1.024 219 V HN 0.202 7.343 8.190 -1.749 0.000 0.426 220 A N 7.198 129.670 122.820 -0.581 0.000 2.566 220 A HA 0.668 4.944 4.320 -0.459 -0.231 0.291 220 A C -2.445 174.826 177.584 -0.522 0.000 1.278 220 A CA -2.164 49.484 52.037 -0.648 0.000 0.711 220 A CB 3.809 21.998 19.000 -1.350 0.000 1.332 220 A HN 0.482 8.362 8.150 -0.450 0.000 0.478 221 I N -6.232 114.034 120.570 -0.507 0.000 2.389 221 I HA 0.715 4.898 4.170 -0.254 -0.165 0.288 221 I C -1.704 174.207 176.117 -0.344 0.000 0.999 221 I CA -1.930 59.174 61.300 -0.326 0.000 1.129 221 I CB 1.899 39.768 38.000 -0.218 0.000 1.288 221 I HN -0.097 7.937 8.210 -0.587 -0.177 0.444 222 L N 8.286 129.370 121.223 -0.232 0.000 2.295 222 L HA 0.370 4.709 4.340 -0.220 -0.131 0.288 222 L C -0.984 175.828 176.870 -0.096 0.000 1.079 222 L CA -1.139 53.603 54.840 -0.163 0.000 0.830 222 L CB 0.428 42.438 42.059 -0.081 0.000 1.200 222 L HN 0.509 8.496 8.230 -0.178 0.136 0.438 223 V N 3.389 123.248 119.914 -0.092 0.000 2.612 223 V HA 0.523 4.629 4.120 -0.024 0.000 0.301 223 V C -1.739 174.385 176.094 0.050 0.000 1.046 223 V CA -2.035 60.245 62.300 -0.033 0.000 0.946 223 V CB 2.566 34.341 31.823 -0.079 0.000 1.003 223 V HN 0.789 8.903 8.190 -0.127 0.000 0.459 224 S N 5.376 121.114 115.700 0.063 0.000 2.530 224 S HA 0.783 5.513 4.470 0.041 -0.235 0.322 224 S C -1.244 173.420 174.600 0.106 0.000 1.085 224 S CA -1.424 56.810 58.200 0.058 0.000 1.096 224 S CB 1.706 64.918 63.200 0.020 0.000 0.988 224 S HN 0.234 8.573 8.310 0.049 0.000 0.466 225 Y N 2.048 122.319 120.300 -0.049 0.000 2.477 225 Y HA 0.339 5.082 4.550 -0.051 -0.223 0.347 225 Y C -1.730 174.152 175.900 -0.030 0.000 0.981 225 Y CA -2.940 55.128 58.100 -0.054 0.000 1.033 225 Y CB 2.514 40.924 38.460 -0.083 0.000 1.245 225 Y HN -0.094 8.088 8.280 -0.164 0.000 0.455 226 K N 2.885 123.274 120.400 -0.018 0.000 2.412 226 K HA -0.000 4.362 4.320 -0.162 -0.139 0.281 226 K C 0.388 176.959 176.600 -0.049 0.000 1.027 226 K CA -0.232 56.009 56.287 -0.076 0.000 0.989 226 K CB -0.038 32.463 32.500 0.002 0.000 0.935 226 K HN 0.344 8.525 8.250 0.083 0.118 0.475 227 N N 4.758 123.374 118.700 -0.141 0.000 2.332 227 N HA -0.093 4.672 4.740 0.041 0.000 0.285 227 N C 0.851 176.377 175.510 0.026 0.000 1.292 227 N CA 0.070 53.092 53.050 -0.046 0.000 0.947 227 N CB 0.232 38.666 38.487 -0.088 0.000 1.084 227 N HN 0.018 8.263 8.380 -0.177 0.029 0.529 228 A N -3.113 119.725 122.820 0.030 0.000 2.238 228 A HA 0.009 4.350 4.320 0.036 0.000 0.208 228 A C 0.035 177.625 177.584 0.011 0.000 1.177 228 A CA 1.733 53.787 52.037 0.028 0.000 0.804 228 A CB -0.214 18.803 19.000 0.029 0.000 0.823 228 A HN 0.350 8.517 8.150 0.028 0.000 0.482 229 S N -2.643 113.055 115.700 -0.002 0.000 2.578 229 S HA 0.074 4.544 4.470 -0.001 0.000 0.228 229 S C -0.008 174.586 174.600 -0.011 0.000 1.022 229 S CA -0.223 57.973 58.200 -0.007 0.000 0.967 229 S CB 0.416 63.608 63.200 -0.012 0.000 0.914 229 S HN -0.303 7.926 8.310 -0.012 0.074 0.515 230 G N 0.435 109.226 108.800 -0.015 0.000 2.203 230 G HA2 -0.259 3.696 3.960 -0.010 0.000 0.231 230 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.231 230 G C -2.111 172.768 174.900 -0.035 0.000 1.058 230 G CA 0.146 45.236 45.100 -0.016 0.000 0.781 230 G HN -0.699 7.455 8.290 -0.016 0.127 0.496 231 V N -1.269 118.607 119.914 -0.065 0.000 2.513 231 V HA 0.091 4.176 4.120 -0.058 0.000 0.299 231 V C -0.338 175.671 176.094 -0.142 0.000 1.035 231 V CA -1.506 60.744 62.300 -0.083 0.000 0.889 231 V CB 2.618 34.395 31.823 -0.077 0.000 0.988 231 V HN -0.513 7.690 8.190 -0.075 -0.058 0.440 232 T N 8.416 122.901 114.554 -0.115 0.000 2.775 232 T HA -0.089 4.158 4.350 -0.172 0.000 0.281 232 T C -1.139 173.442 174.700 -0.199 0.000 0.908 232 T CA 1.675 63.691 62.100 -0.141 0.000 1.123 232 T CB -0.588 68.240 68.868 -0.068 0.000 0.879 232 T HN 0.358 8.552 8.240 -0.076 0.000 0.547 233 E N 7.851 127.820 120.200 -0.385 0.000 2.601 233 E HA 0.353 4.565 4.350 -0.231 0.000 0.250 233 E C -1.884 174.550 176.600 -0.277 0.000 1.099 233 E CA -2.119 54.039 56.400 -0.404 0.000 0.968 233 E CB 3.055 32.358 29.700 -0.662 0.000 1.290 233 E HN 0.180 8.101 8.360 -0.557 0.105 0.505 234 K N -2.945 117.380 120.400 -0.125 0.000 2.371 234 K HA 1.034 5.610 4.320 0.035 -0.236 0.251 234 K C -0.233 176.473 176.600 0.176 0.000 0.934 234 K CA -2.312 53.991 56.287 0.028 0.000 0.798 234 K CB 2.831 35.339 32.500 0.012 0.000 1.204 234 K HN 0.243 8.428 8.250 -0.109 0.000 0.427 235 R N 0.158 120.740 120.500 0.136 0.000 2.799 235 R HA 0.393 4.854 4.340 0.050 -0.092 0.270 235 R C -2.110 174.094 176.300 -0.161 0.000 1.010 235 R CA -1.556 54.563 56.100 0.032 0.000 0.916 235 R CB 4.599 34.876 30.300 -0.038 0.000 1.228 235 R HN 0.776 8.997 8.270 0.071 0.092 0.469 236 I N 1.277 121.693 120.570 -0.257 0.000 2.378 236 I HA 0.530 4.583 4.170 -0.506 -0.187 0.291 236 I C -0.964 174.876 176.117 -0.463 0.000 0.992 236 I CA -2.419 58.614 61.300 -0.445 0.000 1.154 236 I CB 2.330 39.984 38.000 -0.577 0.000 1.315 236 I HN 0.798 8.774 8.210 -0.218 0.103 0.448 237 I N 4.501 124.745 120.570 -0.543 0.000 3.517 237 I HA 0.096 3.639 4.170 -1.045 0.000 0.346 237 I C -1.896 173.797 176.117 -0.705 0.000 1.510 237 I CA -1.608 59.214 61.300 -0.796 0.000 1.090 237 I CB -0.735 36.866 38.000 -0.665 0.000 1.506 237 I HN -0.451 7.453 8.210 -0.510 0.000 0.477 238 D N 1.441 121.578 120.400 -0.440 0.000 2.412 238 D HA 0.579 5.147 4.640 -0.120 0.000 0.224 238 D C -0.701 175.640 176.300 0.068 0.000 1.093 238 D CA -2.845 51.072 54.000 -0.138 0.000 0.850 238 D CB 1.645 42.429 40.800 -0.028 0.000 1.046 238 D HN -0.385 7.671 8.370 -0.412 0.068 0.507 239 P HA 0.131 4.896 4.420 0.349 -0.135 0.245 239 P C -0.409 177.028 177.300 0.228 0.000 1.212 239 P CA 0.126 63.383 63.100 0.262 0.000 0.774 239 P CB 0.121 31.921 31.700 0.166 0.000 0.999 240 S N -2.805 113.050 115.700 0.258 0.000 2.547 240 S HA -0.210 4.400 4.470 0.234 0.000 0.235 240 S C 0.550 175.236 174.600 0.144 0.000 0.980 240 S CA 1.795 60.120 58.200 0.209 0.000 0.941 240 S CB -0.349 62.942 63.200 0.152 0.000 0.763 240 S HN -0.003 8.385 8.310 0.264 0.080 0.532 241 L N -3.287 118.019 121.223 0.139 0.000 2.658 241 L HA 0.120 4.389 4.340 -0.117 0.000 0.222 241 L C -0.299 176.383 176.870 -0.312 0.000 1.033 241 L CA 0.664 55.455 54.840 -0.081 0.000 0.949 241 L CB 1.943 44.008 42.059 0.010 0.000 1.698 241 L HN -0.922 7.375 8.230 0.221 0.066 0.498 242 F N -0.594 119.449 119.950 0.156 0.000 2.434 242 F HA 0.309 4.901 4.527 0.107 0.000 0.367 242 F C 0.342 176.261 175.800 0.198 0.000 1.093 242 F CA -0.841 57.244 58.000 0.143 0.000 1.085 242 F CB 0.364 39.447 39.000 0.139 0.000 1.322 242 F HN -0.644 7.898 8.300 0.403 0.000 0.452 243 S N 4.678 120.516 115.700 0.229 0.000 2.478 243 S HA -0.103 4.512 4.470 0.242 0.000 0.222 243 S C 0.764 175.379 174.600 0.026 0.000 1.008 243 S CA 1.851 60.130 58.200 0.132 0.000 0.928 243 S CB 0.136 63.343 63.200 0.012 0.000 0.781 243 S HN 0.445 8.834 8.310 0.132 0.000 0.518 244 S N 0.755 116.512 115.700 0.095 0.000 2.356 244 S HA -0.225 4.219 4.470 -0.043 0.000 0.223 244 S C -0.372 174.233 174.600 0.009 0.000 1.032 244 S CA 1.605 59.824 58.200 0.031 0.000 1.005 244 S CB 0.520 63.769 63.200 0.083 0.000 0.867 244 S HN -0.082 8.305 8.310 0.162 0.021 0.449 245 G N -2.094 106.821 108.800 0.192 0.000 2.489 245 G HA2 0.190 4.304 3.960 0.257 0.000 0.305 245 G HA3 0.190 4.218 3.960 0.113 0.000 0.305 245 G C -3.037 172.083 174.900 0.366 0.000 1.311 245 G CA -1.318 43.944 45.100 0.269 0.000 0.813 245 G HN -0.641 7.833 8.290 0.308 0.000 0.480 246 P HA 0.441 4.902 4.420 -0.164 -0.139 0.276 246 P C -1.695 175.467 177.300 -0.230 0.000 1.261 246 P CA -0.848 62.185 63.100 -0.111 0.000 0.800 246 P CB 1.292 32.871 31.700 -0.202 0.000 1.066 247 V N -7.132 112.598 119.914 -0.308 0.000 3.178 247 V HA 0.415 4.351 4.120 -0.307 0.000 0.302 247 V C -1.499 174.488 176.094 -0.178 0.000 1.262 247 V CA -2.398 59.680 62.300 -0.369 0.000 1.030 247 V CB 3.024 34.315 31.823 -0.887 0.000 1.074 247 V HN -0.160 7.864 8.190 -0.277 0.000 0.438 248 T N -1.335 113.159 114.554 -0.100 0.000 2.928 248 T HA 0.017 4.389 4.350 0.037 0.000 0.305 248 T C 1.526 176.269 174.700 0.071 0.000 1.035 248 T CA -0.198 61.905 62.100 0.005 0.000 1.145 248 T CB 0.860 69.736 68.868 0.014 0.000 0.963 248 T HN 0.054 8.218 8.240 -0.127 0.000 0.545 249 D N 3.558 124.016 120.400 0.098 0.000 2.254 249 D HA -0.442 4.382 4.640 0.307 0.000 0.201 249 D C 1.363 177.828 176.300 0.275 0.000 0.998 249 D CA 3.641 57.784 54.000 0.239 0.000 0.885 249 D CB -0.737 40.155 40.800 0.153 0.000 0.915 249 D HN 0.579 8.986 8.370 0.063 0.000 0.460 250 T N 2.824 117.442 114.554 0.107 0.000 2.668 250 T HA -0.325 4.020 4.350 -0.007 0.000 0.258 250 T C 1.465 176.210 174.700 0.074 0.000 1.051 250 T CA 4.185 66.309 62.100 0.040 0.000 1.155 250 T CB -0.091 68.776 68.868 -0.001 0.000 0.864 250 T HN -0.519 7.733 8.240 0.068 0.029 0.413 251 A N 1.462 124.323 122.820 0.068 0.000 1.997 251 A HA -0.282 4.089 4.320 0.085 0.000 0.221 251 A C 1.688 179.412 177.584 0.233 0.000 1.172 251 A CA 2.824 54.910 52.037 0.083 0.000 0.645 251 A CB -0.982 17.995 19.000 -0.038 0.000 0.813 251 A HN -0.242 7.930 8.150 0.037 0.000 0.454 252 W N -0.176 121.160 121.300 0.059 0.000 2.352 252 W HA -0.421 4.519 4.660 0.465 0.000 0.322 252 W C 1.615 178.260 176.519 0.211 0.000 1.208 252 W CA 4.132 61.604 57.345 0.211 0.000 1.286 252 W CB -0.438 29.087 29.460 0.108 0.000 1.167 252 W HN 0.549 8.708 8.180 0.310 0.207 0.469 253 R N -1.697 118.661 120.500 -0.236 0.000 2.119 253 R HA -0.526 3.281 4.340 -0.887 0.000 0.246 253 R C 2.992 179.162 176.300 -0.218 0.000 1.146 253 R CA 3.395 59.221 56.100 -0.456 0.000 0.962 253 R CB -0.697 29.433 30.300 -0.284 0.000 0.863 253 R HN -0.486 7.805 8.270 0.035 0.000 0.442 254 N N -0.644 118.019 118.700 -0.061 0.000 2.043 254 N HA -0.307 4.403 4.740 -0.051 0.000 0.193 254 N C 1.387 176.880 175.510 -0.027 0.000 1.037 254 N CA 3.167 56.206 53.050 -0.018 0.000 0.851 254 N CB -0.018 38.499 38.487 0.050 0.000 1.027 254 N HN -0.270 8.028 8.380 -0.001 0.082 0.422 255 A N -2.693 120.165 122.820 0.065 0.000 2.076 255 A HA -0.157 4.115 4.320 -0.079 0.000 0.220 255 A C 2.140 179.630 177.584 -0.158 0.000 1.160 255 A CA 2.411 54.426 52.037 -0.035 0.000 0.653 255 A CB -0.413 18.579 19.000 -0.014 0.000 0.801 255 A HN 0.036 8.242 8.150 0.216 0.073 0.455 256 C N -4.122 115.063 119.300 -0.192 0.000 2.492 256 C HA -0.038 4.262 4.460 -0.267 0.000 0.279 256 C C 0.990 175.830 174.990 -0.251 0.000 1.335 256 C CA 1.200 60.066 59.018 -0.254 0.000 1.734 256 C CB 1.096 28.658 27.740 -0.297 0.000 2.027 256 C HN -0.411 7.518 8.230 -0.195 0.184 0.496 257 V N -5.448 114.355 119.914 -0.185 0.000 3.331 257 V HA 0.124 4.272 4.120 -0.165 -0.127 0.332 257 V C -1.657 174.354 176.094 -0.138 0.000 1.341 257 V CA -0.919 61.292 62.300 -0.149 0.000 1.218 257 V CB -0.938 30.825 31.823 -0.100 0.000 1.152 257 V HN -0.206 7.673 8.190 -0.165 0.212 0.445 258 N N 1.910 120.511 118.700 -0.166 0.000 2.394 258 N HA -0.172 4.507 4.740 -0.101 0.000 0.277 258 N C 1.458 176.885 175.510 -0.138 0.000 1.346 258 N CA 1.040 54.005 53.050 -0.142 0.000 0.910 258 N CB 0.143 38.525 38.487 -0.175 0.000 1.201 258 N HN -0.789 7.279 8.380 -0.202 0.191 0.488 259 T N 1.978 116.474 114.554 -0.098 0.000 3.163 259 T HA -0.177 4.231 4.350 -0.098 -0.118 0.260 259 T C 0.622 175.271 174.700 -0.084 0.000 1.156 259 T CA 1.460 63.508 62.100 -0.086 0.000 1.072 259 T CB -0.960 67.871 68.868 -0.061 0.000 0.937 259 T HN -0.055 8.138 8.240 -0.079 0.000 0.528 260 S N 0.790 116.436 115.700 -0.090 0.000 2.423 260 S HA -0.236 4.195 4.470 -0.065 0.000 0.238 260 S C 1.180 175.728 174.600 -0.087 0.000 1.028 260 S CA 2.751 60.902 58.200 -0.082 0.000 1.000 260 S CB 0.064 63.211 63.200 -0.089 0.000 0.797 260 S HN -0.518 7.891 8.310 -0.097 -0.157 0.487 261 c N -2.771 115.764 118.600 -0.109 0.000 2.518 261 c HA 0.226 4.739 4.570 -0.094 0.000 0.283 261 c C -0.003 174.034 174.090 -0.088 0.000 1.351 261 c CA -0.354 55.910 56.329 -0.108 0.000 1.745 261 c CB 0.462 42.883 42.510 -0.148 0.000 2.107 261 c HN -0.543 7.573 8.230 -0.126 0.038 0.502 262 G N -0.878 107.870 108.800 -0.087 0.000 2.579 262 G HA2 -0.058 3.868 3.960 -0.056 0.000 0.080 262 G HA3 -0.058 3.863 3.960 -0.065 0.000 0.080 262 G C -2.871 171.989 174.900 -0.067 0.000 1.040 262 G CA -0.244 44.816 45.100 -0.068 0.000 1.118 262 G HN -0.614 7.505 8.290 -0.098 0.112 0.485 263 S N 1.919 117.583 115.700 -0.059 0.000 2.564 263 S HA -0.042 4.401 4.470 -0.045 0.000 0.278 263 S C -1.389 173.170 174.600 -0.067 0.000 1.333 263 S CA 0.962 59.131 58.200 -0.051 0.000 1.048 263 S CB 0.349 63.527 63.200 -0.037 0.000 0.900 263 S HN 0.123 8.400 8.310 -0.055 0.000 0.505 264 A N 1.849 124.635 122.820 -0.058 0.000 2.583 264 A HA 0.094 4.580 4.320 -0.067 -0.207 0.298 264 A C -2.530 175.027 177.584 -0.044 0.000 1.055 264 A CA -0.282 51.714 52.037 -0.068 0.000 0.714 264 A CB 2.128 21.065 19.000 -0.106 0.000 1.277 264 A HN -0.068 8.055 8.150 -0.045 0.000 0.406 265 S N -0.901 114.780 115.700 -0.032 0.000 2.586 265 S HA 0.242 4.700 4.470 -0.021 0.000 0.277 265 S C -2.239 172.368 174.600 0.012 0.000 1.131 265 S CA -0.351 57.842 58.200 -0.011 0.000 0.848 265 S CB 3.280 66.482 63.200 0.003 0.000 1.091 265 S HN 0.502 8.682 8.310 -0.033 0.110 0.453 266 V N 3.667 123.595 119.914 0.024 0.000 2.364 266 V HA 0.272 4.565 4.120 0.074 -0.129 0.272 266 V C -0.724 175.435 176.094 0.107 0.000 1.036 266 V CA -1.165 61.174 62.300 0.065 0.000 0.880 266 V CB 0.659 32.506 31.823 0.041 0.000 0.991 266 V HN 0.199 8.398 8.190 0.015 0.000 0.460 267 S N 8.101 123.886 115.700 0.140 0.000 2.371 267 S HA -0.127 4.397 4.470 0.089 0.000 0.224 267 S C 0.228 174.909 174.600 0.135 0.000 1.029 267 S CA 1.754 60.028 58.200 0.124 0.000 0.978 267 S CB 0.407 63.684 63.200 0.127 0.000 0.833 267 S HN 0.925 9.212 8.310 0.166 0.123 0.466 268 S N -5.384 110.445 115.700 0.215 0.000 2.636 268 S HA 0.103 4.708 4.470 0.226 0.000 0.266 268 S C -2.520 172.325 174.600 0.409 0.000 1.147 268 S CA -0.096 58.228 58.200 0.207 0.000 0.815 268 S CB 1.853 65.045 63.200 -0.013 0.000 1.119 268 S HN -0.816 7.668 8.310 0.291 0.000 0.470 269 Y N -3.015 117.400 120.300 0.192 0.000 2.609 269 Y HA 0.936 5.875 4.550 0.370 -0.167 0.336 269 Y C -2.126 173.902 175.900 0.214 0.000 1.129 269 Y CA -1.685 56.565 58.100 0.249 0.000 1.040 269 Y CB 2.849 41.414 38.460 0.175 0.000 1.310 269 Y HN 0.049 8.232 8.280 -0.162 0.000 0.460 270 A N 0.323 123.337 122.820 0.324 0.000 2.610 270 A HA 0.301 4.656 4.320 0.058 0.000 0.291 270 A C -2.808 174.930 177.584 0.257 0.000 1.086 270 A CA -0.681 51.467 52.037 0.185 0.000 0.677 270 A CB 3.015 22.094 19.000 0.132 0.000 1.278 270 A HN 0.091 8.521 8.150 0.467 0.000 0.414 271 N N -1.262 117.539 118.700 0.170 0.000 2.381 271 N HA 0.799 5.748 4.740 0.138 -0.126 0.294 271 N C -1.320 174.204 175.510 0.025 0.000 1.216 271 N CA -1.176 51.944 53.050 0.116 0.000 0.803 271 N CB 3.822 42.374 38.487 0.109 0.000 1.372 271 N HN -0.005 8.453 8.380 0.130 0.000 0.500 272 T N -5.135 109.379 114.554 -0.066 0.000 2.731 272 T HA 0.354 4.615 4.350 -0.148 0.000 0.300 272 T C -1.391 173.211 174.700 -0.164 0.000 1.283 272 T CA -1.639 60.322 62.100 -0.233 0.000 1.005 272 T CB 2.646 71.116 68.868 -0.664 0.000 1.420 272 T HN 0.717 8.829 8.240 -0.043 0.103 0.503 273 A N -0.462 122.253 122.820 -0.175 0.000 2.492 273 A HA -0.155 4.159 4.320 -0.010 0.000 0.236 273 A C -0.058 177.487 177.584 -0.065 0.000 1.078 273 A CA 0.851 52.857 52.037 -0.052 0.000 0.773 273 A CB 0.143 19.168 19.000 0.042 0.000 1.023 273 A HN 0.334 8.332 8.150 -0.253 0.000 0.504 274 G N -0.907 107.895 108.800 0.003 0.000 2.404 274 G HA2 -0.361 3.593 3.960 -0.010 0.000 0.215 274 G HA3 -0.361 3.801 3.960 0.049 -0.173 0.215 274 G C 0.316 175.247 174.900 0.052 0.000 1.174 274 G CA 1.337 46.449 45.100 0.021 0.000 0.780 274 G HN 0.739 9.047 8.290 0.030 0.000 0.537 275 N N -0.315 118.451 118.700 0.109 0.000 2.094 275 N HA -0.383 4.521 4.740 0.273 0.000 0.191 275 N C 0.275 175.794 175.510 0.014 0.000 1.023 275 N CA 1.023 54.191 53.050 0.195 0.000 0.857 275 N CB -1.276 37.389 38.487 0.298 0.000 1.013 275 N HN -0.100 8.350 8.380 0.115 0.000 0.426 276 V N 1.251 121.087 119.914 -0.129 0.000 2.628 276 V HA -0.258 3.495 4.120 -1.017 -0.243 0.282 276 V C -0.035 175.806 176.094 -0.423 0.000 0.968 276 V CA 0.591 62.581 62.300 -0.516 0.000 1.171 276 V CB -1.339 30.141 31.823 -0.572 0.000 0.899 276 V HN -0.296 7.874 8.190 -0.033 -0.001 0.462 277 Y N 8.939 128.842 120.300 -0.662 0.000 2.070 277 Y HA -0.363 3.586 4.550 -1.000 0.000 0.280 277 Y C -1.634 174.164 175.900 -0.169 0.000 1.148 277 Y CA 2.663 60.379 58.100 -0.639 0.000 1.125 277 Y CB 1.086 39.244 38.460 -0.503 0.000 0.975 277 Y HN -0.534 7.373 8.280 -0.471 0.090 0.492 278 Y N -6.098 113.749 120.300 -0.756 0.000 2.545 278 Y HA 0.105 4.431 4.550 -0.374 0.000 0.348 278 Y C -2.526 172.998 175.900 -0.627 0.000 1.002 278 Y CA -0.972 56.688 58.100 -0.733 0.000 1.039 278 Y CB 3.239 41.033 38.460 -1.111 0.000 1.271 278 Y HN -0.660 7.391 8.280 -0.382 0.000 0.467 279 R N 4.939 124.598 120.500 -1.401 0.000 2.711 279 R HA 0.691 4.937 4.340 -0.401 -0.146 0.284 279 R C -1.582 174.128 176.300 -0.983 0.000 0.968 279 R CA -2.001 53.457 56.100 -1.071 0.000 0.924 279 R CB 3.421 33.001 30.300 -1.200 0.000 1.162 279 R HN 0.214 6.935 8.270 -2.582 0.000 0.465 280 S N 2.537 118.047 115.700 -0.315 0.000 2.621 280 S HA 0.620 4.999 4.470 -0.152 0.000 0.302 280 S C -0.259 174.298 174.600 -0.072 0.000 1.093 280 S CA -3.576 54.542 58.200 -0.137 0.000 1.017 280 S CB 1.775 64.960 63.200 -0.025 0.000 1.077 280 S HN 0.679 8.916 8.310 -0.122 0.000 0.517 281 P HA 0.151 4.564 4.420 -0.011 0.000 0.245 281 P C -0.540 176.717 177.300 -0.072 0.000 1.212 281 P CA 0.681 63.772 63.100 -0.014 0.000 0.774 281 P CB 0.095 31.802 31.700 0.012 0.000 0.999 282 S N -1.588 114.074 115.700 -0.063 0.000 2.557 282 S HA 0.030 4.454 4.470 -0.076 0.000 0.223 282 S C -0.028 174.510 174.600 -0.103 0.000 0.969 282 S CA -0.645 57.510 58.200 -0.075 0.000 0.927 282 S CB 0.373 63.538 63.200 -0.058 0.000 0.806 282 S HN -0.168 8.026 8.310 -0.053 0.083 0.489 283 N N -0.162 118.469 118.700 -0.114 0.000 2.816 283 N HA -0.306 4.349 4.740 -0.141 0.000 0.247 283 N C -2.061 173.240 175.510 -0.349 0.000 1.100 283 N CA 1.193 54.124 53.050 -0.198 0.000 0.687 283 N CB -1.044 37.332 38.487 -0.184 0.000 1.003 283 N HN -0.412 7.849 8.380 -0.080 0.071 0.554 284 S N -1.313 114.249 115.700 -0.230 0.000 2.473 284 S HA 0.254 4.535 4.470 -0.315 0.000 0.307 284 S C -1.895 172.706 174.600 0.001 0.000 1.094 284 S CA -1.175 56.907 58.200 -0.197 0.000 1.070 284 S CB 1.966 65.116 63.200 -0.083 0.000 1.019 284 S HN -0.788 7.450 8.310 -0.120 0.000 0.480 285 Y N 3.833 124.061 120.300 -0.120 0.000 2.487 285 Y HA 0.673 5.174 4.550 -0.337 -0.153 0.337 285 Y C -0.649 175.038 175.900 -0.355 0.000 1.076 285 Y CA -2.977 54.959 58.100 -0.274 0.000 1.115 285 Y CB 1.747 40.069 38.460 -0.230 0.000 1.235 285 Y HN 0.245 8.475 8.280 -0.083 0.000 0.468 286 L N -0.126 120.829 121.223 -0.446 0.000 2.260 286 L HA 0.391 4.602 4.340 -0.215 0.000 0.265 286 L C -2.314 174.027 176.870 -0.881 0.000 1.015 286 L CA -1.639 52.929 54.840 -0.452 0.000 0.826 286 L CB 3.305 45.184 42.059 -0.300 0.000 1.373 286 L HN 0.505 8.454 8.230 -0.469 0.000 0.450 287 Y N -5.492 114.765 120.300 -0.073 0.000 2.299 287 Y HA 0.087 4.652 4.550 0.024 0.000 0.318 287 Y C -1.368 174.560 175.900 0.046 0.000 1.205 287 Y CA -0.729 57.383 58.100 0.019 0.000 1.106 287 Y CB 2.861 41.346 38.460 0.041 0.000 1.246 287 Y HN 0.138 8.334 8.280 -0.141 0.000 0.415 288 D N 5.056 125.602 120.400 0.244 0.000 2.462 288 D HA 0.224 4.964 4.640 0.167 0.000 0.249 288 D C -0.339 176.121 176.300 0.267 0.000 1.117 288 D CA -0.883 53.222 54.000 0.175 0.000 0.900 288 D CB 0.470 41.167 40.800 -0.172 0.000 1.039 288 D HN -0.086 8.460 8.370 0.293 0.000 0.516 289 N N 3.621 122.431 118.700 0.184 0.000 2.446 289 N HA -0.105 4.700 4.740 0.108 0.000 0.179 289 N C -0.046 175.480 175.510 0.027 0.000 1.054 289 N CA 2.205 55.318 53.050 0.104 0.000 0.905 289 N CB 0.369 38.916 38.487 0.101 0.000 0.973 289 N HN 0.430 8.922 8.380 0.188 0.000 0.448 290 N N -2.171 116.547 118.700 0.031 0.000 2.203 290 N HA 0.026 4.760 4.740 -0.010 0.000 0.207 290 N C -1.371 174.118 175.510 -0.034 0.000 1.130 290 N CA -0.519 52.531 53.050 0.000 0.000 0.861 290 N CB 0.023 38.522 38.487 0.021 0.000 1.005 290 N HN -0.193 8.191 8.380 0.067 0.036 0.507 291 L N -2.462 118.722 121.223 -0.065 0.000 3.833 291 L HA -0.341 3.906 4.340 -0.155 0.000 0.447 291 L C 0.039 176.862 176.870 -0.078 0.000 1.213 291 L CA 0.686 55.458 54.840 -0.114 0.000 0.801 291 L CB -2.716 39.257 42.059 -0.143 0.000 1.676 291 L HN -0.705 7.305 8.230 -0.047 0.192 0.883 292 I N -2.140 118.403 120.570 -0.044 0.000 2.716 292 I HA -0.198 3.957 4.170 -0.024 0.000 0.259 292 I C 1.810 177.920 176.117 -0.010 0.000 1.172 292 I CA 1.846 63.137 61.300 -0.015 0.000 1.478 292 I CB -1.048 36.962 38.000 0.018 0.000 1.104 292 I HN -0.073 8.132 8.210 -0.023 -0.008 0.439 293 N N -1.284 117.396 118.700 -0.034 0.000 2.405 293 N HA -0.025 4.763 4.740 0.080 0.000 0.175 293 N C 1.274 176.815 175.510 0.052 0.000 1.051 293 N CA 2.224 55.296 53.050 0.037 0.000 0.899 293 N CB 1.384 39.939 38.487 0.114 0.000 1.000 293 N HN 0.118 8.726 8.380 -0.110 -0.294 0.451 294 T N 2.647 117.155 114.554 -0.076 0.000 2.815 294 T HA -0.117 4.341 4.350 0.179 0.000 0.244 294 T C 1.239 175.915 174.700 -0.039 0.000 1.040 294 T CA 4.295 66.407 62.100 0.021 0.000 1.176 294 T CB 0.099 68.969 68.868 0.003 0.000 0.880 294 T HN -0.475 7.557 8.240 -0.172 0.106 0.414 295 N N 2.292 120.953 118.700 -0.064 0.000 2.184 295 N HA -0.286 4.408 4.740 -0.077 0.000 0.190 295 N C 1.767 177.219 175.510 -0.097 0.000 1.011 295 N CA 3.087 56.092 53.050 -0.075 0.000 0.867 295 N CB -0.901 37.548 38.487 -0.063 0.000 0.993 295 N HN -0.266 7.972 8.380 -0.073 0.098 0.433 296 c N -0.708 117.841 118.600 -0.084 0.000 2.476 296 c HA -0.154 4.358 4.570 -0.096 0.000 0.278 296 c C 1.724 175.693 174.090 -0.202 0.000 1.274 296 c CA 2.852 59.121 56.329 -0.100 0.000 1.713 296 c CB -1.471 41.010 42.510 -0.049 0.000 2.039 296 c HN -0.124 8.051 8.230 -0.060 0.019 0.484 297 V N 1.082 120.878 119.914 -0.197 0.000 2.324 297 V HA -0.578 3.250 4.120 -0.486 0.000 0.250 297 V C 2.072 177.675 176.094 -0.819 0.000 1.060 297 V CA 4.655 66.698 62.300 -0.430 0.000 1.042 297 V CB 0.168 31.914 31.823 -0.128 0.000 0.650 297 V HN -0.750 7.213 8.190 -0.080 0.179 0.450 298 L N -1.686 119.288 121.223 -0.415 0.000 1.973 298 L HA -0.376 3.777 4.340 -0.312 0.000 0.208 298 L C 2.858 179.558 176.870 -0.284 0.000 1.073 298 L CA 2.670 57.323 54.840 -0.311 0.000 0.746 298 L CB -0.640 41.324 42.059 -0.160 0.000 0.891 298 L HN 0.107 8.189 8.230 -0.250 -0.003 0.433 299 T N -0.320 114.112 114.554 -0.204 0.000 2.751 299 T HA -0.498 3.795 4.350 -0.096 0.000 0.268 299 T C 2.256 176.864 174.700 -0.152 0.000 1.045 299 T CA 4.443 66.460 62.100 -0.138 0.000 1.142 299 T CB -0.458 68.348 68.868 -0.103 0.000 0.851 299 T HN 0.262 8.286 8.240 -0.177 0.109 0.474 300 K N 0.550 120.777 120.400 -0.289 0.000 2.001 300 K HA -0.211 4.063 4.320 -0.077 0.000 0.208 300 K C 1.780 178.396 176.600 0.027 0.000 1.048 300 K CA 2.152 58.314 56.287 -0.208 0.000 0.932 300 K CB -0.098 32.180 32.500 -0.370 0.000 0.715 300 K HN 0.001 7.866 8.250 -0.429 0.128 0.437 301 F N -3.070 116.835 119.950 -0.075 0.000 2.873 301 F HA 0.278 4.603 4.527 -0.336 0.000 0.289 301 F C 0.349 176.043 175.800 -0.177 0.000 1.206 301 F CA -3.945 53.926 58.000 -0.216 0.000 1.401 301 F CB -2.540 36.401 39.000 -0.099 0.000 0.996 301 F HN -0.277 7.512 8.300 -0.725 0.076 0.511 302 S N 1.784 117.482 115.700 -0.004 0.000 2.355 302 S HA -0.226 4.240 4.470 -0.007 0.000 0.222 302 S C 1.394 175.979 174.600 -0.025 0.000 1.031 302 S CA 3.408 61.597 58.200 -0.018 0.000 0.993 302 S CB 0.350 63.533 63.200 -0.029 0.000 0.859 302 S HN -0.469 7.737 8.310 -0.020 0.092 0.453 303 L N -3.453 117.744 121.223 -0.045 0.000 2.477 303 L HA 0.130 4.451 4.340 -0.031 0.000 0.220 303 L C -0.634 176.172 176.870 -0.107 0.000 1.106 303 L CA 0.255 55.064 54.840 -0.052 0.000 0.851 303 L CB -0.662 41.374 42.059 -0.038 0.000 0.994 303 L HN -0.176 8.029 8.230 -0.042 0.000 0.462 304 L N 0.009 121.102 121.223 -0.217 0.000 2.514 304 L HA -0.230 3.894 4.340 -0.360 0.000 0.280 304 L C -0.990 175.689 176.870 -0.318 0.000 1.223 304 L CA 1.060 55.603 54.840 -0.494 0.000 0.864 304 L CB -0.114 41.225 42.059 -1.200 0.000 1.118 304 L HN -0.535 7.455 8.230 -0.180 0.132 0.494 305 S N -1.780 113.836 115.700 -0.141 0.000 2.533 305 S HA 0.172 4.753 4.470 0.185 0.000 0.271 305 S C -0.589 174.130 174.600 0.198 0.000 1.143 305 S CA -0.760 57.498 58.200 0.096 0.000 0.891 305 S CB 2.628 65.859 63.200 0.052 0.000 1.105 305 S HN -0.240 7.982 8.310 -0.147 0.000 0.468 306 G N 2.153 111.096 108.800 0.239 0.000 2.587 306 G HA2 -0.361 3.668 3.960 0.115 0.000 0.212 306 G HA3 -0.361 3.675 3.960 0.128 0.000 0.212 306 G C -0.366 174.637 174.900 0.171 0.000 1.327 306 G CA -0.138 45.062 45.100 0.166 0.000 0.898 306 G HN 0.689 9.003 8.290 0.238 0.119 0.551 307 c N 2.031 120.683 118.600 0.087 0.000 2.673 307 c HA 0.488 5.237 4.570 -0.054 -0.211 0.274 307 c C -0.520 173.607 174.090 0.062 0.000 1.276 307 c CA -1.580 54.763 56.329 0.024 0.000 1.701 307 c CB -1.345 41.172 42.510 0.013 0.000 1.836 307 c HN 0.217 8.490 8.230 0.072 0.000 0.596 308 S N -0.602 115.190 115.700 0.153 0.000 2.570 308 S HA 0.403 5.054 4.470 0.130 -0.103 0.286 308 S C -2.777 171.960 174.600 0.228 0.000 1.099 308 S CA -2.547 55.746 58.200 0.155 0.000 0.913 308 S CB 0.857 64.105 63.200 0.079 0.000 1.085 308 S HN -0.791 7.547 8.310 0.179 0.079 0.480 309 P HA 0.211 4.679 4.420 0.081 0.000 0.278 309 P C -1.517 175.853 177.300 0.117 0.000 1.238 309 P CA -0.516 62.645 63.100 0.102 0.000 0.794 309 P CB 0.564 32.293 31.700 0.049 0.000 0.955 310 S N 1.397 117.135 115.700 0.062 0.000 2.538 310 S HA 0.345 4.821 4.470 0.009 0.000 0.288 310 S C -1.630 172.994 174.600 0.040 0.000 1.108 310 S CA -2.770 55.449 58.200 0.033 0.000 0.971 310 S CB 1.115 64.329 63.200 0.024 0.000 1.041 310 S HN -0.107 8.235 8.310 0.054 0.000 0.483 311 P HA 0.137 4.562 4.420 0.007 0.000 0.297 311 P C -1.557 175.742 177.300 -0.001 0.000 1.303 311 P CA -0.764 62.352 63.100 0.027 0.000 0.753 311 P CB 0.795 32.535 31.700 0.066 0.000 1.281 312 A N -0.766 122.017 122.820 -0.062 0.000 2.507 312 A HA -0.060 4.151 4.320 -0.181 0.000 0.235 312 A C -0.721 176.880 177.584 0.030 0.000 1.070 312 A CA -0.938 51.017 52.037 -0.137 0.000 0.768 312 A CB -0.554 18.277 19.000 -0.282 0.000 1.011 312 A HN -0.117 8.155 8.150 -0.075 -0.167 0.502 313 P HA 0.046 4.526 4.420 0.100 0.000 0.312 313 P C -1.602 175.814 177.300 0.192 0.000 1.307 313 P CA -1.167 62.015 63.100 0.136 0.000 0.738 313 P CB 0.531 32.315 31.700 0.140 0.000 1.422 314 D N 0.061 120.555 120.400 0.157 0.000 2.264 314 D HA -0.070 4.658 4.640 0.147 0.000 0.250 314 D C -0.283 176.113 176.300 0.159 0.000 1.113 314 D CA -0.454 53.631 54.000 0.143 0.000 0.871 314 D CB 0.003 40.860 40.800 0.095 0.000 1.167 314 D HN 0.022 8.469 8.370 0.128 0.000 0.447 315 V N -3.892 116.116 119.914 0.156 0.000 2.991 315 V HA 0.246 4.423 4.120 0.095 0.000 0.355 315 V C 0.395 176.539 176.094 0.084 0.000 1.384 315 V CA -1.013 61.359 62.300 0.121 0.000 1.171 315 V CB 0.076 31.987 31.823 0.147 0.000 1.190 315 V HN 0.011 8.294 8.190 0.154 0.000 0.540 316 S N 2.402 118.147 115.700 0.075 0.000 2.400 316 S HA -0.270 4.235 4.470 0.058 0.000 0.232 316 S C 0.766 175.387 174.600 0.035 0.000 1.025 316 S CA 2.818 61.050 58.200 0.053 0.000 0.993 316 S CB -0.218 63.008 63.200 0.044 0.000 0.808 316 S HN -0.198 8.103 8.310 0.080 0.057 0.478 317 S N -1.243 114.476 115.700 0.031 0.000 2.441 317 S HA -0.159 4.317 4.470 0.010 0.000 0.242 317 S C 0.705 175.310 174.600 0.009 0.000 1.018 317 S CA 1.240 59.449 58.200 0.015 0.000 0.988 317 S CB 0.177 63.384 63.200 0.011 0.000 0.778 317 S HN -0.308 8.010 8.310 0.039 0.016 0.498 318 c N 0.574 119.187 118.600 0.021 0.000 2.560 318 c HA -0.050 4.525 4.570 0.008 0.000 0.334 318 c C -0.755 173.349 174.090 0.024 0.000 1.404 318 c CA 0.409 56.753 56.329 0.025 0.000 2.410 318 c CB 0.510 43.050 42.510 0.051 0.000 2.268 318 c HN -0.227 7.852 8.230 0.035 0.172 0.673 319 G N -0.872 107.946 108.800 0.030 0.000 1.882 319 G HA2 0.045 4.012 3.960 0.011 0.000 0.256 319 G HA3 0.045 3.960 3.960 -0.077 0.000 0.256 319 G C -1.748 173.124 174.900 -0.046 0.000 2.065 319 G CA -0.433 44.652 45.100 -0.024 0.000 0.882 319 G HN -0.113 8.204 8.290 0.046 0.000 0.574 320 F N 0.000 119.958 119.950 0.013 0.000 2.286 320 F HA 0.000 4.517 4.527 -0.017 0.000 0.279 320 F CA 0.000 58.006 58.000 0.009 0.000 1.383 320 F CB 0.000 39.021 39.000 0.034 0.000 1.145 320 F HN 0.000 8.525 8.300 0.375 0.000 0.574