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 2jxy_1_A DATA FIRST_RESID 277 DATA SEQUENCE MEPALcDPNL SFDAVTTVGN KIFFFKDRFF WLKVSERPKT SVNLISSLWP DATA SEQUENCE TLPSGIEAAY EIEARNQVFL FKDDKYWLIS NLRPEPNYPK SIHSFGFPNF DATA SEQUENCE VKKIDAAVFN PRFYRTYFFV DNQYWRYDER RQMMDPGYPK LITKNFQGIG DATA SEQUENCE PKIDAVFYSK NKYYYFFQGS NQFEYDFLLQ RITKTLKSNS WFGc 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 277 M HA 0.000 4.476 4.480 -0.007 0.000 0.227 277 M C 0.000 176.277 176.300 -0.038 0.000 1.140 277 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 277 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 278 E N 0.756 120.922 120.200 -0.058 0.000 2.283 278 E HA 0.350 4.634 4.350 -0.110 0.000 0.271 278 E C -1.049 175.475 176.600 -0.126 0.000 1.031 278 E CA -2.014 54.328 56.400 -0.096 0.000 0.868 278 E CB 0.855 30.506 29.700 -0.082 0.000 1.094 278 E HN 0.240 8.572 8.360 -0.047 0.000 0.401 279 P HA -0.086 4.176 4.420 -0.263 0.000 0.245 279 P C -1.062 176.198 177.300 -0.068 0.000 1.212 279 P CA 0.074 63.002 63.100 -0.287 0.000 0.774 279 P CB -0.060 31.254 31.700 -0.644 0.000 0.999 280 A N -0.883 121.887 122.820 -0.082 0.000 2.540 280 A HA -0.186 4.089 4.320 -0.076 0.000 0.268 280 A C 0.337 177.879 177.584 -0.070 0.000 1.061 280 A CA 0.802 52.798 52.037 -0.068 0.000 0.821 280 A CB 0.219 19.184 19.000 -0.058 0.000 0.970 280 A HN -0.309 7.699 8.150 -0.101 0.081 0.524 281 L N 2.946 124.066 121.223 -0.172 0.000 2.131 281 L HA -0.161 4.081 4.340 -0.164 0.000 0.206 281 L C 0.949 177.688 176.870 -0.219 0.000 1.087 281 L CA 2.165 56.806 54.840 -0.331 0.000 0.767 281 L CB 0.371 41.789 42.059 -1.069 0.000 0.917 281 L HN 0.139 8.240 8.230 -0.214 0.000 0.441 282 c N -1.310 117.194 118.600 -0.159 0.000 3.093 282 c HA -0.094 4.471 4.570 -0.010 0.000 0.515 282 c C -1.011 173.065 174.090 -0.023 0.000 1.253 282 c CA 0.088 56.394 56.329 -0.038 0.000 1.476 282 c CB -1.823 40.697 42.510 0.018 0.000 1.873 282 c HN 0.028 8.154 8.230 -0.174 0.000 0.632 283 D N 1.217 121.600 120.400 -0.029 0.000 2.414 283 D HA 0.083 4.720 4.640 -0.006 0.000 0.187 283 D C -2.653 173.640 176.300 -0.012 0.000 1.255 283 D CA -0.838 53.153 54.000 -0.016 0.000 0.825 283 D CB 2.241 43.028 40.800 -0.021 0.000 1.912 283 D HN -0.168 8.090 8.370 -0.041 0.088 0.530 284 P HA 0.212 4.639 4.420 0.012 0.000 0.268 284 P C -1.597 175.703 177.300 -0.000 0.000 1.541 284 P CA -0.106 62.998 63.100 0.007 0.000 1.093 284 P CB -1.052 30.657 31.700 0.015 0.000 1.551 285 N N 0.110 118.806 118.700 -0.007 0.000 3.348 285 N HA -0.043 4.691 4.740 -0.011 0.000 0.160 285 N C -2.374 173.121 175.510 -0.025 0.000 1.096 285 N CA 0.074 53.116 53.050 -0.014 0.000 2.544 285 N CB -0.197 38.281 38.487 -0.015 0.000 1.374 285 N HN -0.086 8.289 8.380 -0.008 0.000 0.748 286 L N -0.381 120.822 121.223 -0.033 0.000 2.330 286 L HA 0.526 4.918 4.340 -0.072 -0.096 0.271 286 L C -2.267 174.542 176.870 -0.103 0.000 1.013 286 L CA -1.117 53.674 54.840 -0.081 0.000 0.816 286 L CB 2.667 44.672 42.059 -0.089 0.000 1.287 286 L HN -0.599 7.621 8.230 -0.017 0.000 0.435 287 S N -0.181 115.429 115.700 -0.151 0.000 2.607 287 S HA 0.420 5.134 4.470 0.145 -0.156 0.273 287 S C -1.613 172.937 174.600 -0.083 0.000 1.148 287 S CA -1.610 56.577 58.200 -0.022 0.000 0.833 287 S CB 2.739 65.996 63.200 0.094 0.000 1.130 287 S HN -0.095 8.128 8.310 -0.145 0.000 0.470 288 F N -1.909 118.279 119.950 0.397 0.000 2.661 288 F HA 0.297 4.949 4.527 0.209 0.000 0.347 288 F C -0.803 175.175 175.800 0.296 0.000 1.086 288 F CA -1.208 56.949 58.000 0.262 0.000 1.016 288 F CB 3.090 42.147 39.000 0.095 0.000 1.368 288 F HN 0.118 8.796 8.300 0.630 0.000 0.505 289 D N -2.021 118.674 120.400 0.491 0.000 3.084 289 D HA 0.163 4.999 4.640 0.327 0.000 0.294 289 D C -1.011 175.488 176.300 0.332 0.000 1.165 289 D CA 0.833 55.043 54.000 0.351 0.000 1.008 289 D CB 3.520 44.483 40.800 0.273 0.000 1.266 289 D HN -0.115 8.560 8.370 0.509 0.000 0.449 290 A N -4.052 118.977 122.820 0.348 0.000 2.587 290 A HA 0.348 4.831 4.320 0.271 0.000 0.293 290 A C -2.580 175.143 177.584 0.233 0.000 1.087 290 A CA -0.904 51.322 52.037 0.315 0.000 0.692 290 A CB 2.917 22.117 19.000 0.333 0.000 1.291 290 A HN -0.715 7.670 8.150 0.392 0.000 0.407 291 V N -1.315 118.651 119.914 0.086 0.000 2.891 291 V HA 0.598 4.580 4.120 -0.413 -0.110 0.304 291 V C -1.091 174.865 176.094 -0.229 0.000 1.171 291 V CA -1.218 60.914 62.300 -0.278 0.000 0.943 291 V CB 4.292 35.782 31.823 -0.555 0.000 1.037 291 V HN 0.501 8.780 8.190 0.148 0.000 0.427 292 T N 3.786 118.117 114.554 -0.371 0.000 2.858 292 T HA 0.449 4.787 4.350 -0.021 0.000 0.285 292 T C -1.717 172.858 174.700 -0.208 0.000 1.052 292 T CA -2.298 59.700 62.100 -0.171 0.000 1.009 292 T CB 2.254 71.066 68.868 -0.093 0.000 1.241 292 T HN 0.364 8.264 8.240 -0.566 0.000 0.542 293 T N 0.059 114.578 114.554 -0.057 0.000 2.933 293 T HA 0.592 5.077 4.350 0.005 -0.131 0.305 293 T C -1.381 173.317 174.700 -0.004 0.000 1.092 293 T CA -1.732 60.365 62.100 -0.005 0.000 1.008 293 T CB 2.522 71.426 68.868 0.060 0.000 1.102 293 T HN -0.109 8.320 8.240 -0.018 -0.199 0.469 294 V N 3.340 123.280 119.914 0.044 0.000 2.569 294 V HA 0.276 4.373 4.120 -0.037 0.000 0.301 294 V C 0.446 176.563 176.094 0.038 0.000 1.044 294 V CA -1.585 60.713 62.300 -0.003 0.000 0.874 294 V CB 2.922 34.669 31.823 -0.125 0.000 1.002 294 V HN 0.539 8.813 8.190 0.141 0.000 0.424 295 G N 9.106 117.906 108.800 0.001 0.000 3.434 295 G HA2 -0.465 3.488 3.960 -0.011 0.000 0.343 295 G HA3 -0.465 3.496 3.960 0.002 0.000 0.343 295 G C -0.521 174.381 174.900 0.003 0.000 1.240 295 G CA 2.324 47.424 45.100 -0.000 0.000 0.996 295 G HN 0.598 8.877 8.290 -0.018 0.000 0.650 296 N N 4.167 122.872 118.700 0.008 0.000 2.387 296 N HA -0.011 4.723 4.740 -0.010 0.000 0.259 296 N C -1.933 173.560 175.510 -0.029 0.000 1.369 296 N CA -0.556 52.487 53.050 -0.010 0.000 0.867 296 N CB 0.867 39.345 38.487 -0.016 0.000 1.341 296 N HN -0.073 8.319 8.380 0.019 0.000 0.495 297 K N -0.694 119.707 120.400 0.001 0.000 2.328 297 K HA 0.398 4.628 4.320 -0.150 0.000 0.246 297 K C -2.123 174.430 176.600 -0.080 0.000 0.955 297 K CA -1.958 54.284 56.287 -0.074 0.000 0.817 297 K CB 4.482 36.944 32.500 -0.064 0.000 1.208 297 K HN 0.215 8.376 8.250 0.056 0.123 0.432 298 I N -2.370 118.006 120.570 -0.323 0.000 2.418 298 I HA 0.492 4.616 4.170 -0.272 -0.118 0.287 298 I C -2.009 173.648 176.117 -0.765 0.000 1.008 298 I CA -1.022 60.003 61.300 -0.459 0.000 1.104 298 I CB 1.508 39.208 38.000 -0.499 0.000 1.264 298 I HN -0.005 7.958 8.210 -0.412 0.000 0.438 299 F N 4.408 123.901 119.950 -0.761 0.000 2.458 299 F HA 0.386 4.679 4.527 -0.390 0.000 0.336 299 F C -1.134 174.077 175.800 -0.981 0.000 1.114 299 F CA -2.150 55.452 58.000 -0.664 0.000 0.987 299 F CB 2.744 41.436 39.000 -0.514 0.000 1.130 299 F HN -0.236 7.965 8.300 -0.165 0.000 0.458 300 F N 0.215 120.018 119.950 -0.245 0.000 2.458 300 F HA 0.244 4.476 4.527 -0.491 0.000 0.336 300 F C -0.869 174.867 175.800 -0.107 0.000 1.114 300 F CA -1.234 56.564 58.000 -0.337 0.000 0.987 300 F CB 2.158 40.938 39.000 -0.366 0.000 1.130 300 F HN -0.091 8.328 8.300 0.199 0.000 0.458 301 F N 2.572 122.637 119.950 0.192 0.000 2.404 301 F HA 0.168 4.878 4.527 0.306 0.000 0.339 301 F C -1.184 174.756 175.800 0.233 0.000 1.105 301 F CA -1.246 56.889 58.000 0.225 0.000 1.087 301 F CB 1.894 40.981 39.000 0.146 0.000 1.143 301 F HN 0.433 8.785 8.300 0.087 0.000 0.491 302 K N 3.333 123.997 120.400 0.441 0.000 2.675 302 K HA 0.365 4.883 4.320 0.331 0.000 0.224 302 K C -1.309 175.440 176.600 0.249 0.000 1.003 302 K CA -1.508 54.961 56.287 0.304 0.000 1.034 302 K CB 1.527 34.127 32.500 0.168 0.000 1.218 302 K HN 0.847 9.294 8.250 0.487 0.095 0.507 303 D N 3.408 123.926 120.400 0.197 0.000 4.541 303 D HA -0.518 4.181 4.640 0.098 0.000 0.209 303 D C 0.666 177.000 176.300 0.058 0.000 0.584 303 D CA 4.201 58.274 54.000 0.122 0.000 1.297 303 D CB -0.879 40.005 40.800 0.139 0.000 0.807 303 D HN 0.504 9.002 8.370 0.212 0.000 0.433 304 R N -1.707 118.817 120.500 0.041 0.000 2.394 304 R HA 0.049 4.322 4.340 -0.111 0.000 0.220 304 R C 0.054 176.228 176.300 -0.210 0.000 0.887 304 R CA 0.076 56.087 56.100 -0.149 0.000 1.034 304 R CB 1.462 31.571 30.300 -0.319 0.000 1.179 304 R HN -0.411 7.946 8.270 0.145 0.000 0.561 305 F N -0.750 119.233 119.950 0.055 0.000 2.425 305 F HA 0.543 5.187 4.527 0.011 -0.111 0.331 305 F C -1.050 174.837 175.800 0.144 0.000 1.085 305 F CA -0.378 57.626 58.000 0.007 0.000 1.028 305 F CB 2.474 41.394 39.000 -0.135 0.000 1.177 305 F HN 0.124 8.550 8.300 0.324 0.069 0.487 306 F N -1.425 118.736 119.950 0.351 0.000 2.556 306 F HA 0.848 5.724 4.527 0.388 -0.115 0.327 306 F C -2.146 173.848 175.800 0.323 0.000 1.059 306 F CA -3.070 55.148 58.000 0.363 0.000 0.953 306 F CB 3.061 42.313 39.000 0.420 0.000 1.227 306 F HN 0.989 9.092 8.300 -0.150 0.107 0.478 307 W N -0.482 121.130 121.300 0.520 0.000 2.655 307 W HA 0.588 5.560 4.660 0.187 -0.200 0.358 307 W C -1.247 175.522 176.519 0.416 0.000 1.100 307 W CA -2.365 55.182 57.345 0.337 0.000 1.195 307 W CB 4.392 33.958 29.460 0.176 0.000 1.403 307 W HN 0.919 9.435 8.180 0.754 0.116 0.589 308 L N 2.592 124.109 121.223 0.489 0.000 2.580 308 L HA 0.210 4.529 4.340 -0.035 0.000 0.266 308 L C -2.475 174.392 176.870 -0.005 0.000 0.955 308 L CA 0.124 55.050 54.840 0.142 0.000 0.886 308 L CB 2.035 44.211 42.059 0.194 0.000 1.263 308 L HN 0.033 8.549 8.230 0.476 0.000 0.406 309 K N 6.095 126.433 120.400 -0.103 0.000 2.745 309 K HA 0.247 4.500 4.320 -0.111 0.000 0.293 309 K C -2.820 173.680 176.600 -0.167 0.000 1.271 309 K CA 0.458 56.666 56.287 -0.133 0.000 1.060 309 K CB 0.939 33.327 32.500 -0.185 0.000 1.394 309 K HN 0.306 8.475 8.250 -0.135 0.000 0.537 310 V N 1.878 121.675 119.914 -0.194 0.000 3.282 310 V HA 0.134 4.104 4.120 -0.251 0.000 0.295 310 V C -1.744 174.250 176.094 -0.166 0.000 1.451 310 V CA -0.807 61.362 62.300 -0.218 0.000 1.062 310 V CB 2.874 34.543 31.823 -0.256 0.000 1.128 310 V HN -0.542 7.542 8.190 -0.176 0.000 0.456 311 S N 1.711 117.323 115.700 -0.147 0.000 4.159 311 S HA -0.314 4.108 4.470 -0.081 0.000 0.536 311 S C -0.173 174.387 174.600 -0.067 0.000 1.861 311 S CA 2.564 60.708 58.200 -0.093 0.000 4.246 311 S CB -0.482 62.669 63.200 -0.081 0.000 0.268 311 S HN 0.507 8.715 8.310 -0.170 0.000 0.454 312 E N 2.749 122.913 120.200 -0.061 0.000 3.374 312 E HA 0.148 4.483 4.350 -0.025 0.000 0.223 312 E C -1.607 174.970 176.600 -0.039 0.000 1.210 312 E CA 0.010 56.388 56.400 -0.036 0.000 0.987 312 E CB 1.249 30.935 29.700 -0.024 0.000 1.322 312 E HN -0.210 8.099 8.360 -0.072 0.008 0.404 313 R N 1.112 121.584 120.500 -0.046 0.000 2.507 313 R HA 0.331 4.653 4.340 -0.031 0.000 0.298 313 R C -1.873 174.408 176.300 -0.031 0.000 1.087 313 R CA -2.576 53.498 56.100 -0.043 0.000 0.917 313 R CB 1.047 31.308 30.300 -0.066 0.000 1.173 313 R HN -0.264 7.975 8.270 -0.052 0.000 0.472 314 P HA -0.031 4.381 4.420 -0.012 0.000 0.227 314 P C -0.267 176.975 177.300 -0.097 0.000 1.161 314 P CA 0.513 63.589 63.100 -0.041 0.000 0.788 314 P CB 0.749 32.422 31.700 -0.045 0.000 0.822 315 K N -3.157 117.198 120.400 -0.075 0.000 2.482 315 K HA 0.233 4.459 4.320 -0.158 0.000 0.257 315 K C -1.418 175.185 176.600 0.005 0.000 0.969 315 K CA -1.372 54.869 56.287 -0.075 0.000 0.842 315 K CB 2.846 35.302 32.500 -0.073 0.000 1.359 315 K HN -0.749 7.453 8.250 -0.043 0.022 0.441 316 T N -1.858 112.740 114.554 0.073 0.000 2.881 316 T HA 0.499 5.063 4.350 -0.020 -0.226 0.278 316 T C 0.103 174.958 174.700 0.260 0.000 0.982 316 T CA -1.676 60.438 62.100 0.024 0.000 0.989 316 T CB 2.089 70.665 68.868 -0.487 0.000 1.058 316 T HN -0.075 8.290 8.240 0.209 0.000 0.529 317 S N 1.707 117.635 115.700 0.380 0.000 2.619 317 S HA 0.197 4.834 4.470 0.279 0.000 0.280 317 S C -1.700 173.076 174.600 0.294 0.000 1.150 317 S CA -0.333 58.054 58.200 0.312 0.000 0.978 317 S CB 2.541 65.852 63.200 0.184 0.000 1.041 317 S HN -0.038 8.530 8.310 0.430 0.000 0.485 318 V N 5.918 125.870 119.914 0.064 0.000 2.353 318 V HA 0.353 4.489 4.120 -0.292 -0.191 0.264 318 V C -0.205 175.745 176.094 -0.240 0.000 1.049 318 V CA -1.203 60.958 62.300 -0.231 0.000 0.896 318 V CB -0.588 30.987 31.823 -0.414 0.000 1.025 318 V HN 0.382 8.617 8.190 0.075 0.000 0.475 319 N N 7.404 125.795 118.700 -0.515 0.000 2.453 319 N HA 0.326 5.008 4.740 -0.097 0.000 0.290 319 N C -2.201 173.129 175.510 -0.299 0.000 1.250 319 N CA -0.968 51.811 53.050 -0.452 0.000 0.815 319 N CB 4.249 42.333 38.487 -0.671 0.000 1.381 319 N HN 0.089 7.917 8.380 -0.919 0.000 0.510 320 L N -0.675 120.530 121.223 -0.030 0.000 2.371 320 L HA -0.030 4.085 4.340 -0.375 0.000 0.272 320 L C 0.355 177.351 176.870 0.210 0.000 1.124 320 L CA 0.787 55.557 54.840 -0.116 0.000 0.816 320 L CB 1.207 43.139 42.059 -0.212 0.000 1.129 320 L HN 0.198 8.449 8.230 0.035 0.000 0.448 321 I N 4.444 125.150 120.570 0.226 0.000 2.094 321 I HA -0.449 4.168 4.170 0.744 0.000 0.234 321 I C 1.721 177.984 176.117 0.243 0.000 1.063 321 I CA 4.240 65.788 61.300 0.413 0.000 1.328 321 I CB 0.296 38.471 38.000 0.293 0.000 1.058 321 I HN 0.668 8.879 8.210 0.001 0.000 0.400 322 S N -0.857 114.893 115.700 0.082 0.000 2.428 322 S HA -0.433 4.314 4.470 0.059 -0.241 0.240 322 S C 1.933 176.575 174.600 0.070 0.000 1.036 322 S CA 3.037 61.264 58.200 0.044 0.000 1.009 322 S CB -0.309 62.871 63.200 -0.032 0.000 0.803 322 S HN 0.506 8.816 8.310 0.001 0.000 0.486 323 S N 0.110 115.864 115.700 0.091 0.000 2.392 323 S HA -0.253 4.250 4.470 0.057 0.000 0.232 323 S C 0.523 175.177 174.600 0.091 0.000 1.041 323 S CA 2.598 60.856 58.200 0.096 0.000 1.026 323 S CB 0.254 63.539 63.200 0.141 0.000 0.845 323 S HN -0.345 7.886 8.310 0.091 0.134 0.465 324 L N -1.191 120.098 121.223 0.111 0.000 2.630 324 L HA 0.153 4.486 4.340 -0.012 0.000 0.180 324 L C 0.721 177.595 176.870 0.006 0.000 1.221 324 L CA 1.111 55.951 54.840 0.000 0.000 0.853 324 L CB 1.106 43.098 42.059 -0.111 0.000 1.172 324 L HN 0.214 8.433 8.230 0.181 0.120 0.508 325 W N 0.637 121.915 121.300 -0.037 0.000 2.607 325 W HA 0.105 4.714 4.660 -0.084 0.000 0.336 325 W C -1.103 175.367 176.519 -0.082 0.000 1.439 325 W CA -1.080 56.218 57.345 -0.077 0.000 1.346 325 W CB -1.175 28.225 29.460 -0.100 0.000 1.425 325 W HN -0.323 7.954 8.180 0.162 0.000 0.565 326 P HA 0.057 4.504 4.420 0.045 0.000 0.203 326 P C 0.624 177.935 177.300 0.018 0.000 1.211 326 P CA 0.950 64.088 63.100 0.064 0.000 0.913 326 P CB 0.347 32.075 31.700 0.046 0.000 0.745 327 T N 1.994 116.562 114.554 0.023 0.000 4.647 327 T HA -0.021 4.317 4.350 -0.021 0.000 0.224 327 T C -0.866 173.715 174.700 -0.199 0.000 0.928 327 T CA 0.995 63.086 62.100 -0.016 0.000 0.969 327 T CB -1.597 67.312 68.868 0.067 0.000 1.425 327 T HN 0.067 8.340 8.240 0.055 0.000 1.045 328 L N 3.710 124.747 121.223 -0.310 0.000 2.464 328 L HA 0.465 4.230 4.340 -0.958 0.000 0.266 328 L C -2.696 173.821 176.870 -0.589 0.000 0.965 328 L CA -3.613 50.869 54.840 -0.597 0.000 0.833 328 L CB 3.244 45.009 42.059 -0.490 0.000 1.296 328 L HN 0.119 8.168 8.230 -0.194 0.064 0.405 329 P HA 0.267 4.404 4.420 -0.471 0.000 0.275 329 P C -1.786 175.249 177.300 -0.441 0.000 1.266 329 P CA -1.013 61.702 63.100 -0.642 0.000 0.793 329 P CB 0.945 32.139 31.700 -0.843 0.000 1.074 330 S N -2.401 113.119 115.700 -0.299 0.000 2.578 330 S HA -0.012 4.295 4.470 -0.271 0.000 0.301 330 S C -0.533 173.959 174.600 -0.180 0.000 1.091 330 S CA -0.797 57.265 58.200 -0.230 0.000 1.032 330 S CB 2.059 65.158 63.200 -0.168 0.000 1.064 330 S HN -0.250 7.907 8.310 -0.253 0.000 0.508 331 G N 1.409 110.115 108.800 -0.156 0.000 2.255 331 G HA2 -0.414 3.621 3.960 -0.034 0.000 0.239 331 G HA3 -0.414 3.518 3.960 -0.047 0.000 0.239 331 G C -0.591 174.252 174.900 -0.094 0.000 1.083 331 G CA -0.109 44.943 45.100 -0.080 0.000 0.826 331 G HN 0.054 8.240 8.290 -0.172 0.000 0.493 332 I N -0.992 119.447 120.570 -0.219 0.000 2.919 332 I HA -0.416 3.861 4.170 -0.154 -0.199 0.303 332 I C -0.251 175.863 176.117 -0.005 0.000 1.221 332 I CA 1.875 63.051 61.300 -0.206 0.000 1.444 332 I CB -0.144 37.523 38.000 -0.554 0.000 1.331 332 I HN -0.172 7.832 8.210 -0.343 0.000 0.572 333 E N 6.773 127.027 120.200 0.091 0.000 2.057 333 E HA -0.047 4.378 4.350 0.126 0.000 0.190 333 E C -0.755 175.925 176.600 0.133 0.000 0.969 333 E CA 1.240 57.725 56.400 0.142 0.000 0.812 333 E CB 1.270 31.088 29.700 0.198 0.000 0.777 333 E HN 0.669 8.973 8.360 0.131 0.135 0.455 334 A N -4.218 118.674 122.820 0.120 0.000 2.408 334 A HA 0.289 4.661 4.320 0.086 0.000 0.295 334 A C -2.439 175.196 177.584 0.086 0.000 1.040 334 A CA -0.724 51.325 52.037 0.020 0.000 0.707 334 A CB 2.381 21.238 19.000 -0.238 0.000 1.235 334 A HN -0.712 7.564 8.150 0.210 0.000 0.418 335 A N 4.066 126.993 122.820 0.180 0.000 2.318 335 A HA 0.856 5.473 4.320 0.237 -0.155 0.317 335 A C -1.622 176.105 177.584 0.238 0.000 1.159 335 A CA -1.673 50.512 52.037 0.247 0.000 0.799 335 A CB 2.208 21.467 19.000 0.432 0.000 1.194 335 A HN 0.235 8.495 8.150 0.183 0.000 0.479 336 Y N 1.603 121.921 120.300 0.030 0.000 2.399 336 Y HA 0.258 4.837 4.550 0.048 0.000 0.327 336 Y C -2.373 173.577 175.900 0.084 0.000 1.111 336 Y CA -1.234 56.882 58.100 0.027 0.000 1.047 336 Y CB 2.471 40.893 38.460 -0.063 0.000 1.259 336 Y HN -0.315 8.028 8.280 0.105 0.000 0.434 337 E N 4.939 125.110 120.200 -0.049 0.000 2.359 337 E HA 0.050 4.286 4.350 -0.189 0.000 0.255 337 E C -1.716 174.834 176.600 -0.082 0.000 1.191 337 E CA -1.663 54.670 56.400 -0.112 0.000 0.952 337 E CB 1.875 31.541 29.700 -0.057 0.000 1.152 337 E HN 0.180 8.584 8.360 0.073 0.000 0.496 338 I N -0.106 120.402 120.570 -0.104 0.000 2.521 338 I HA 0.165 4.167 4.170 -0.280 0.000 0.277 338 I C -1.454 174.564 176.117 -0.165 0.000 1.054 338 I CA -0.736 60.453 61.300 -0.186 0.000 1.117 338 I CB 1.884 39.797 38.000 -0.145 0.000 1.217 338 I HN -0.290 7.868 8.210 -0.087 0.000 0.469 339 E N 9.789 129.888 120.200 -0.168 0.000 1.858 339 E HA -0.196 4.105 4.350 -0.082 0.000 0.278 339 E C -1.000 175.535 176.600 -0.109 0.000 1.172 339 E CA 0.801 57.136 56.400 -0.108 0.000 1.127 339 E CB -1.246 28.407 29.700 -0.078 0.000 1.084 339 E HN 0.585 8.837 8.360 -0.179 0.000 0.455 340 A N 4.558 127.321 122.820 -0.096 0.000 1.485 340 A HA 0.222 4.518 4.320 -0.041 0.000 0.211 340 A C 0.293 177.854 177.584 -0.040 0.000 1.759 340 A CA 0.550 52.549 52.037 -0.064 0.000 1.385 340 A CB 1.377 20.324 19.000 -0.089 0.000 1.293 340 A HN 0.523 8.591 8.150 -0.089 0.028 0.400 341 R N -1.645 118.831 120.500 -0.041 0.000 2.432 341 R HA 0.198 4.526 4.340 -0.021 0.000 0.260 341 R C -0.155 176.124 176.300 -0.036 0.000 0.935 341 R CA -0.794 55.291 56.100 -0.026 0.000 1.080 341 R CB 0.784 31.079 30.300 -0.009 0.000 1.155 341 R HN -0.080 8.158 8.270 -0.053 0.000 0.531 342 N N 0.321 118.993 118.700 -0.047 0.000 2.648 342 N HA -0.401 4.305 4.740 -0.056 0.000 0.265 342 N C -2.227 173.245 175.510 -0.063 0.000 1.100 342 N CA 0.951 53.970 53.050 -0.053 0.000 0.715 342 N CB -1.016 37.444 38.487 -0.045 0.000 0.881 342 N HN -0.209 8.161 8.380 -0.053 -0.022 0.548 343 Q N -2.563 117.194 119.800 -0.072 0.000 2.633 343 Q HA 0.392 4.662 4.340 -0.117 0.000 0.292 343 Q C -1.788 174.131 176.000 -0.135 0.000 1.089 343 Q CA -1.118 54.618 55.803 -0.113 0.000 0.811 343 Q CB 4.867 33.536 28.738 -0.116 0.000 1.472 343 Q HN -0.872 7.358 8.270 -0.066 0.000 0.464 344 V N -2.042 117.725 119.914 -0.244 0.000 3.087 344 V HA 0.158 4.183 4.120 -0.158 0.000 0.306 344 V C -2.274 173.559 176.094 -0.435 0.000 1.187 344 V CA -0.574 61.590 62.300 -0.226 0.000 0.999 344 V CB 4.688 36.439 31.823 -0.120 0.000 1.049 344 V HN -0.268 7.704 8.190 -0.363 0.000 0.431 345 F N 2.576 122.339 119.950 -0.312 0.000 2.547 345 F HA 0.323 4.825 4.527 -0.042 0.000 0.316 345 F C -1.673 174.103 175.800 -0.040 0.000 1.121 345 F CA -1.074 56.816 58.000 -0.183 0.000 0.911 345 F CB 4.333 43.074 39.000 -0.431 0.000 1.179 345 F HN -0.241 7.970 8.300 -0.148 0.000 0.443 346 L N 1.507 122.873 121.223 0.239 0.000 2.343 346 L HA 0.389 4.818 4.340 0.148 0.000 0.278 346 L C -1.795 175.321 176.870 0.410 0.000 0.996 346 L CA -1.144 53.787 54.840 0.150 0.000 0.831 346 L CB 1.882 43.794 42.059 -0.244 0.000 1.232 346 L HN 0.061 8.449 8.230 0.264 0.000 0.413 347 F N 4.749 124.764 119.950 0.109 0.000 2.399 347 F HA 0.213 4.913 4.527 0.288 0.000 0.334 347 F C -0.839 175.011 175.800 0.084 0.000 1.097 347 F CA -1.045 57.050 58.000 0.159 0.000 1.076 347 F CB 2.432 41.489 39.000 0.094 0.000 1.162 347 F HN 0.077 8.654 8.300 0.462 0.000 0.495 348 K N 3.561 124.088 120.400 0.212 0.000 2.606 348 K HA 0.407 5.025 4.320 0.110 -0.232 0.259 348 K C -0.798 175.897 176.600 0.158 0.000 1.001 348 K CA -0.745 55.621 56.287 0.132 0.000 0.881 348 K CB 3.136 35.628 32.500 -0.012 0.000 1.288 348 K HN 0.143 8.497 8.250 0.173 0.000 0.452 349 D N 4.962 125.438 120.400 0.128 0.000 3.395 349 D HA -0.406 4.306 4.640 0.119 0.000 0.238 349 D C -0.249 176.121 176.300 0.117 0.000 1.741 349 D CA 2.116 56.188 54.000 0.119 0.000 1.135 349 D CB 0.001 40.863 40.800 0.104 0.000 0.767 349 D HN 0.024 8.627 8.370 0.121 -0.161 0.934 350 D N 2.432 122.887 120.400 0.092 0.000 2.870 350 D HA 0.071 4.787 4.640 0.126 0.000 0.241 350 D C -1.590 174.707 176.300 -0.006 0.000 1.234 350 D CA -0.007 54.038 54.000 0.074 0.000 0.844 350 D CB -1.460 39.367 40.800 0.046 0.000 1.051 350 D HN 0.140 8.557 8.370 0.078 0.000 0.469 351 K N -3.118 117.274 120.400 -0.012 0.000 2.568 351 K HA 0.379 4.631 4.320 -0.331 -0.131 0.273 351 K C -2.255 174.293 176.600 -0.087 0.000 0.951 351 K CA -1.011 55.158 56.287 -0.196 0.000 0.854 351 K CB 4.622 36.951 32.500 -0.286 0.000 1.424 351 K HN -0.642 7.536 8.250 0.052 0.103 0.427 352 Y N -3.901 116.219 120.300 -0.300 0.000 2.534 352 Y HA 0.606 5.391 4.550 0.202 -0.115 0.345 352 Y C -2.607 173.262 175.900 -0.052 0.000 1.031 352 Y CA -2.182 55.856 58.100 -0.104 0.000 1.022 352 Y CB 2.618 40.818 38.460 -0.433 0.000 1.292 352 Y HN -0.388 7.172 8.280 -1.200 0.000 0.459 353 W N -1.307 120.047 121.300 0.089 0.000 2.497 353 W HA 0.262 4.960 4.660 0.063 0.000 0.359 353 W C -0.995 175.570 176.519 0.077 0.000 1.131 353 W CA -1.574 55.799 57.345 0.047 0.000 1.280 353 W CB 4.273 33.684 29.460 -0.082 0.000 1.319 353 W HN 0.110 8.753 8.180 0.772 0.000 0.626 354 L N 2.446 123.776 121.223 0.177 0.000 2.388 354 L HA 0.411 4.455 4.340 -0.494 0.000 0.267 354 L C -1.610 175.126 176.870 -0.223 0.000 0.995 354 L CA -0.992 53.753 54.840 -0.157 0.000 0.864 354 L CB 1.827 43.895 42.059 0.015 0.000 1.216 354 L HN 0.333 8.692 8.230 0.216 0.000 0.430 355 I N 8.138 128.513 120.570 -0.324 0.000 2.517 355 I HA -0.029 4.196 4.170 -0.112 -0.122 0.285 355 I C -1.608 174.390 176.117 -0.199 0.000 1.106 355 I CA -0.207 60.975 61.300 -0.197 0.000 1.402 355 I CB -0.574 37.335 38.000 -0.151 0.000 1.399 355 I HN 0.396 8.321 8.210 -0.475 0.000 0.535 356 S N 8.319 123.943 115.700 -0.127 0.000 2.707 356 S HA 0.198 4.595 4.470 -0.121 0.000 0.303 356 S C -0.928 173.629 174.600 -0.072 0.000 1.132 356 S CA -0.950 57.183 58.200 -0.112 0.000 1.046 356 S CB 1.240 64.366 63.200 -0.124 0.000 1.004 356 S HN 0.778 8.888 8.310 -0.095 0.144 0.483 357 N N 5.968 124.631 118.700 -0.062 0.000 2.756 357 N HA -0.260 4.449 4.740 -0.052 0.000 0.248 357 N C -0.441 175.043 175.510 -0.043 0.000 1.062 357 N CA 0.910 53.929 53.050 -0.051 0.000 0.696 357 N CB -1.754 36.703 38.487 -0.049 0.000 0.946 357 N HN 0.625 8.964 8.380 -0.069 0.000 0.548 358 L N -7.536 113.669 121.223 -0.030 0.000 3.634 358 L HA -0.369 3.993 4.340 0.037 0.000 0.423 358 L C -1.393 175.496 176.870 0.031 0.000 1.253 358 L CA 0.897 55.730 54.840 -0.012 0.000 0.885 358 L CB -1.402 40.604 42.059 -0.087 0.000 1.789 358 L HN 0.130 8.340 8.230 -0.033 0.000 0.904 359 R N -1.976 118.559 120.500 0.058 0.000 2.572 359 R HA 0.242 4.662 4.340 0.133 0.000 0.273 359 R C -2.604 173.706 176.300 0.018 0.000 1.168 359 R CA -2.364 53.772 56.100 0.059 0.000 1.021 359 R CB 2.655 32.953 30.300 -0.003 0.000 1.249 359 R HN -0.480 7.803 8.270 0.029 0.005 0.423 360 P HA 0.125 4.703 4.420 -0.038 -0.181 0.276 360 P C -0.962 176.319 177.300 -0.031 0.000 1.264 360 P CA -0.898 62.206 63.100 0.007 0.000 0.769 360 P CB 0.383 32.093 31.700 0.017 0.000 0.840 361 E N 4.165 124.246 120.200 -0.198 0.000 2.966 361 E HA -0.236 3.894 4.350 -0.367 0.000 0.254 361 E C -1.467 174.975 176.600 -0.262 0.000 0.923 361 E CA 0.432 56.553 56.400 -0.465 0.000 0.960 361 E CB -0.490 28.423 29.700 -1.312 0.000 0.901 361 E HN -0.208 8.020 8.360 -0.220 0.000 0.525 362 P HA 0.012 4.458 4.420 0.043 0.000 0.276 362 P C -0.307 176.994 177.300 0.001 0.000 1.230 362 P CA -0.181 62.900 63.100 -0.031 0.000 0.776 362 P CB 0.554 32.239 31.700 -0.026 0.000 0.888 363 N N 1.568 120.311 118.700 0.072 0.000 2.699 363 N HA -0.423 4.351 4.740 0.057 0.000 0.257 363 N C -2.013 173.590 175.510 0.154 0.000 1.077 363 N CA 1.330 54.425 53.050 0.074 0.000 0.702 363 N CB -0.494 38.024 38.487 0.052 0.000 0.886 363 N HN 0.437 8.882 8.380 0.108 0.000 0.549 364 Y N -1.328 118.818 120.300 -0.257 0.000 2.473 364 Y HA 0.251 4.608 4.550 -0.321 0.000 0.345 364 Y C -1.846 173.587 175.900 -0.779 0.000 0.932 364 Y CA -4.023 53.818 58.100 -0.431 0.000 1.124 364 Y CB 1.087 39.310 38.460 -0.396 0.000 1.162 364 Y HN -0.026 8.252 8.280 -0.004 0.000 0.629 365 P HA 0.050 3.897 4.420 -0.955 0.000 0.238 365 P C -0.693 176.202 177.300 -0.675 0.000 1.714 365 P CA -0.950 61.761 63.100 -0.649 0.000 0.908 365 P CB -1.581 29.921 31.700 -0.330 0.000 1.893 366 K N 0.349 120.197 120.400 -0.919 0.000 2.230 366 K HA -0.073 3.865 4.320 -0.638 0.000 0.253 366 K C -0.512 175.556 176.600 -0.886 0.000 1.008 366 K CA 0.140 55.864 56.287 -0.939 0.000 0.910 366 K CB 0.494 32.237 32.500 -1.263 0.000 0.994 366 K HN 0.094 7.610 8.250 -1.071 0.091 0.495 367 S N -1.501 113.889 115.700 -0.517 0.000 2.571 367 S HA 0.487 4.940 4.470 -0.257 -0.137 0.284 367 S C 1.395 176.108 174.600 0.189 0.000 1.128 367 S CA -3.262 54.825 58.200 -0.189 0.000 0.970 367 S CB 1.156 64.272 63.200 -0.141 0.000 1.039 367 S HN -0.518 7.576 8.310 -0.360 0.000 0.485 368 I N 6.730 127.495 120.570 0.325 0.000 2.181 368 I HA -0.457 3.924 4.170 0.351 0.000 0.247 368 I C 0.610 176.887 176.117 0.267 0.000 1.081 368 I CA 3.488 64.981 61.300 0.322 0.000 1.340 368 I CB -0.827 37.313 38.000 0.235 0.000 1.036 368 I HN 0.719 9.066 8.210 0.228 0.000 0.417 369 H N 1.566 120.699 119.070 0.105 0.000 2.472 369 H HA -0.447 4.192 4.556 0.137 0.000 0.296 369 H C 2.028 177.340 175.328 -0.027 0.000 1.120 369 H CA 2.902 58.958 56.048 0.013 0.000 1.250 369 H CB -0.386 29.257 29.762 -0.198 0.000 1.366 369 H HN -0.355 8.070 8.280 0.242 0.000 0.524 370 S N -0.707 115.025 115.700 0.053 0.000 2.441 370 S HA -0.362 4.016 4.470 -0.153 0.000 0.242 370 S C 0.324 174.808 174.600 -0.194 0.000 1.018 370 S CA 2.886 61.047 58.200 -0.064 0.000 0.988 370 S CB 0.588 63.851 63.200 0.105 0.000 0.778 370 S HN 0.414 8.646 8.310 0.165 0.176 0.498 371 F N -2.121 117.833 119.950 0.008 0.000 3.727 371 F HA -0.016 4.488 4.527 -0.039 0.000 0.472 371 F C -1.194 174.661 175.800 0.093 0.000 0.770 371 F CA 0.599 58.613 58.000 0.022 0.000 1.627 371 F CB -0.551 38.485 39.000 0.060 0.000 2.684 371 F HN 0.163 8.370 8.300 0.140 0.177 0.766 372 G N -0.146 108.815 108.800 0.270 0.000 4.314 372 G HA2 -0.027 4.083 3.960 0.251 0.000 0.166 372 G HA3 -0.027 4.092 3.960 0.265 0.000 0.166 372 G C -1.644 173.375 174.900 0.198 0.000 1.213 372 G CA 0.210 45.459 45.100 0.249 0.000 1.027 372 G HN -0.597 7.805 8.290 0.187 0.000 0.352 373 F N 4.057 124.068 119.950 0.102 0.000 2.224 373 F HA -0.157 4.477 4.527 0.179 0.000 0.374 373 F C -1.196 174.608 175.800 0.006 0.000 1.019 373 F CA -1.933 56.125 58.000 0.097 0.000 0.917 373 F CB 0.558 39.621 39.000 0.104 0.000 0.799 373 F HN 0.003 8.541 8.300 0.397 0.000 0.506 374 P HA -0.065 4.234 4.420 -0.202 0.000 0.207 374 P C -0.300 176.757 177.300 -0.404 0.000 1.212 374 P CA 0.775 63.681 63.100 -0.324 0.000 0.914 374 P CB 0.379 31.793 31.700 -0.478 0.000 0.750 375 N N -2.622 115.826 118.700 -0.421 0.000 2.433 375 N HA 0.023 4.615 4.740 -0.245 0.000 0.213 375 N C -0.697 174.334 175.510 -0.798 0.000 1.032 375 N CA 0.775 53.635 53.050 -0.318 0.000 1.047 375 N CB 0.770 39.295 38.487 0.063 0.000 1.293 375 N HN -0.154 8.060 8.380 -0.277 0.000 0.524 376 F N -1.984 117.699 119.950 -0.445 0.000 2.566 376 F HA 0.149 4.390 4.527 -0.477 0.000 0.352 376 F C -1.439 174.329 175.800 -0.054 0.000 1.534 376 F CA -0.548 57.293 58.000 -0.265 0.000 1.097 376 F CB 1.434 40.477 39.000 0.072 0.000 1.488 376 F HN -0.496 7.809 8.300 0.008 0.000 0.562 377 V N 1.606 121.459 119.914 -0.102 0.000 3.036 377 V HA 0.008 4.285 4.120 0.261 0.000 0.308 377 V C -0.569 175.780 176.094 0.425 0.000 1.070 377 V CA -0.139 62.316 62.300 0.258 0.000 1.056 377 V CB 1.482 33.547 31.823 0.404 0.000 1.084 377 V HN -0.481 7.208 8.190 -0.834 0.000 0.471 378 K N -2.121 118.481 120.400 0.336 0.000 1.796 378 K HA 0.016 4.526 4.320 0.317 0.000 0.105 378 K C -1.538 175.201 176.600 0.232 0.000 2.302 378 K CA 0.028 56.495 56.287 0.301 0.000 1.130 378 K CB 0.740 33.419 32.500 0.298 0.000 2.552 378 K HN 0.166 8.582 8.250 0.277 0.000 0.410 379 K N 0.649 121.170 120.400 0.202 0.000 2.394 379 K HA 0.249 4.681 4.320 0.185 0.000 0.260 379 K C -2.128 174.558 176.600 0.142 0.000 0.967 379 K CA -0.835 55.553 56.287 0.168 0.000 0.855 379 K CB 0.640 33.222 32.500 0.137 0.000 1.101 379 K HN -0.279 8.090 8.250 0.198 0.000 0.433 380 I N 5.517 126.177 120.570 0.150 0.000 2.793 380 I HA 0.016 4.221 4.170 0.059 0.000 0.313 380 I C -1.426 174.744 176.117 0.088 0.000 0.998 380 I CA -0.427 60.924 61.300 0.085 0.000 1.140 380 I CB 2.394 40.404 38.000 0.016 0.000 1.327 380 I HN 0.448 8.776 8.210 0.196 0.000 0.491 381 D N 0.164 120.621 120.400 0.095 0.000 2.290 381 D HA 0.020 4.751 4.640 0.151 0.000 0.224 381 D C -1.017 175.368 176.300 0.141 0.000 0.967 381 D CA 1.736 55.830 54.000 0.157 0.000 0.893 381 D CB 2.356 43.301 40.800 0.242 0.000 1.037 381 D HN 0.271 8.694 8.370 0.087 0.000 0.477 382 A N -4.741 118.108 122.820 0.049 0.000 2.599 382 A HA 0.284 4.585 4.320 -0.033 0.000 0.290 382 A C -2.922 174.451 177.584 -0.351 0.000 1.101 382 A CA -0.610 51.383 52.037 -0.073 0.000 0.674 382 A CB 2.752 21.795 19.000 0.071 0.000 1.277 382 A HN -0.813 7.344 8.150 0.012 0.000 0.419 383 A N -1.368 121.245 122.820 -0.345 0.000 2.513 383 A HA 0.894 5.156 4.320 -0.413 -0.190 0.296 383 A C -2.465 174.903 177.584 -0.359 0.000 1.052 383 A CA -0.183 51.604 52.037 -0.417 0.000 0.714 383 A CB 3.007 21.596 19.000 -0.684 0.000 1.279 383 A HN 0.389 8.416 8.150 -0.205 0.000 0.397 384 V N 1.307 120.937 119.914 -0.474 0.000 3.078 384 V HA 0.438 4.551 4.120 -0.012 0.000 0.311 384 V C -3.107 172.753 176.094 -0.390 0.000 1.138 384 V CA -2.204 59.938 62.300 -0.262 0.000 1.007 384 V CB 4.032 35.791 31.823 -0.107 0.000 1.045 384 V HN -0.186 7.574 8.190 -0.716 0.000 0.432 385 F N 3.893 123.762 119.950 -0.135 0.000 2.467 385 F HA 0.339 4.844 4.527 -0.255 -0.131 0.336 385 F C -1.895 173.993 175.800 0.147 0.000 1.123 385 F CA -1.970 55.988 58.000 -0.069 0.000 0.964 385 F CB 2.639 41.680 39.000 0.069 0.000 1.136 385 F HN 0.277 8.788 8.300 0.352 0.000 0.447 386 N N 7.951 126.395 118.700 -0.428 0.000 2.419 386 N HA 0.370 5.325 4.740 0.358 0.000 0.264 386 N C -0.926 174.243 175.510 -0.568 0.000 1.031 386 N CA -1.534 51.456 53.050 -0.100 0.000 0.951 386 N CB 1.969 40.550 38.487 0.157 0.000 1.101 386 N HN 0.098 8.146 8.380 -0.554 0.000 0.488 387 P HA 0.025 4.597 4.420 0.254 0.000 0.221 387 P C -0.322 176.877 177.300 -0.168 0.000 1.155 387 P CA 1.948 65.078 63.100 0.051 0.000 0.812 387 P CB 0.232 31.996 31.700 0.106 0.000 0.801 388 R N -4.564 115.815 120.500 -0.202 0.000 2.555 388 R HA 0.025 4.154 4.340 -0.352 0.000 0.272 388 R C -0.787 175.188 176.300 -0.543 0.000 1.089 388 R CA 0.028 55.928 56.100 -0.333 0.000 1.126 388 R CB -0.677 29.511 30.300 -0.186 0.000 1.250 388 R HN 0.049 8.286 8.270 -0.055 0.000 0.551 389 F N -1.576 117.783 119.950 -0.984 0.000 2.592 389 F HA 0.061 4.185 4.527 -0.673 0.000 0.357 389 F C -1.615 173.730 175.800 -0.758 0.000 0.808 389 F CA 0.499 58.033 58.000 -0.777 0.000 1.020 389 F CB 2.880 41.690 39.000 -0.316 0.000 0.951 389 F HN -0.633 7.076 8.300 -0.813 0.103 0.642 390 Y N -5.648 114.662 120.300 0.017 0.000 4.134 390 Y HA -0.414 4.032 4.550 -0.175 0.000 0.234 390 Y C -1.864 174.031 175.900 -0.008 0.000 1.200 390 Y CA 1.053 59.134 58.100 -0.032 0.000 1.958 390 Y CB -3.538 34.999 38.460 0.128 0.000 1.605 390 Y HN 0.287 8.117 8.280 -0.564 0.112 0.690 391 R N -3.128 117.299 120.500 -0.121 0.000 2.725 391 R HA 0.505 4.885 4.340 0.067 0.000 0.277 391 R C -1.480 174.701 176.300 -0.199 0.000 0.987 391 R CA -1.274 54.771 56.100 -0.092 0.000 0.901 391 R CB 5.087 35.257 30.300 -0.216 0.000 1.207 391 R HN -0.819 7.255 8.270 -0.327 0.000 0.463 392 T N 4.753 119.239 114.554 -0.113 0.000 2.792 392 T HA 0.835 5.016 4.350 -0.539 -0.154 0.280 392 T C -1.110 173.236 174.700 -0.588 0.000 0.990 392 T CA -0.417 61.490 62.100 -0.321 0.000 0.960 392 T CB 1.621 70.424 68.868 -0.108 0.000 0.939 392 T HN 0.258 8.500 8.240 0.004 0.000 0.439 393 Y N 3.178 123.113 120.300 -0.607 0.000 2.549 393 Y HA 0.714 4.610 4.550 -1.140 -0.030 0.339 393 Y C -2.214 173.220 175.900 -0.777 0.000 1.053 393 Y CA -3.215 54.416 58.100 -0.782 0.000 1.105 393 Y CB 2.363 40.716 38.460 -0.178 0.000 1.258 393 Y HN -0.005 7.279 8.280 -1.659 0.000 0.478 394 F N -5.338 114.555 119.950 -0.095 0.000 2.664 394 F HA 0.698 4.841 4.527 -0.859 -0.132 0.329 394 F C -1.061 174.592 175.800 -0.244 0.000 1.090 394 F CA -3.208 54.535 58.000 -0.429 0.000 0.978 394 F CB 3.886 42.746 39.000 -0.233 0.000 1.378 394 F HN -0.535 7.555 8.300 -0.351 0.000 0.495 395 F N -2.779 117.251 119.950 0.133 0.000 2.493 395 F HA 0.745 5.512 4.527 -0.039 -0.263 0.329 395 F C -0.494 175.237 175.800 -0.116 0.000 1.126 395 F CA -3.069 54.926 58.000 -0.008 0.000 0.937 395 F CB 1.884 40.901 39.000 0.027 0.000 1.146 395 F HN -0.024 8.180 8.300 -0.161 0.000 0.442 396 V N 4.007 123.865 119.914 -0.094 0.000 2.205 396 V HA 0.252 4.314 4.120 -0.097 0.000 0.263 396 V C 0.163 176.210 176.094 -0.079 0.000 1.138 396 V CA -1.011 61.172 62.300 -0.194 0.000 1.059 396 V CB -1.042 30.439 31.823 -0.569 0.000 1.232 396 V HN -0.043 8.061 8.190 -0.142 0.000 0.469 397 D N 2.795 123.199 120.400 0.007 0.000 4.059 397 D HA -0.429 4.335 4.640 0.032 -0.105 0.203 397 D C -1.269 175.027 176.300 -0.006 0.000 1.123 397 D CA 3.716 57.723 54.000 0.011 0.000 2.357 397 D CB -0.895 39.907 40.800 0.003 0.000 1.180 397 D HN 0.242 8.852 8.370 0.054 -0.207 0.422 398 N N 0.879 119.566 118.700 -0.021 0.000 2.620 398 N HA 0.105 4.975 4.740 -0.042 -0.156 0.277 398 N C -2.300 173.203 175.510 -0.011 0.000 1.726 398 N CA 0.171 53.206 53.050 -0.024 0.000 0.840 398 N CB 1.324 39.801 38.487 -0.016 0.000 1.379 398 N HN 0.051 8.355 8.380 -0.035 0.055 0.506 399 Q N -2.369 117.419 119.800 -0.021 0.000 2.379 399 Q HA 0.535 5.088 4.340 0.064 -0.175 0.278 399 Q C -2.392 173.681 176.000 0.123 0.000 1.068 399 Q CA -1.385 54.411 55.803 -0.012 0.000 0.816 399 Q CB 4.466 33.082 28.738 -0.203 0.000 1.387 399 Q HN -0.493 7.766 8.270 -0.019 0.000 0.413 400 Y N 4.290 124.647 120.300 0.095 0.000 2.464 400 Y HA 0.416 5.295 4.550 0.327 -0.133 0.326 400 Y C -1.983 174.178 175.900 0.436 0.000 0.969 400 Y CA -2.715 55.531 58.100 0.242 0.000 1.270 400 Y CB 1.347 39.915 38.460 0.180 0.000 1.103 400 Y HN -0.128 8.256 8.280 0.317 0.087 0.491 401 W N 6.932 128.371 121.300 0.232 0.000 2.415 401 W HA 0.378 5.004 4.660 -0.058 0.000 0.355 401 W C -0.563 175.778 176.519 -0.297 0.000 1.161 401 W CA -2.568 54.740 57.345 -0.062 0.000 1.315 401 W CB 2.343 31.815 29.460 0.019 0.000 1.261 401 W HN 0.059 8.527 8.180 0.480 0.000 0.636 402 R N -0.182 120.168 120.500 -0.249 0.000 2.549 402 R HA 0.137 4.419 4.340 -0.289 -0.115 0.291 402 R C -2.394 173.702 176.300 -0.339 0.000 1.164 402 R CA 0.042 55.913 56.100 -0.381 0.000 0.973 402 R CB 3.087 33.027 30.300 -0.601 0.000 1.210 402 R HN 0.348 8.471 8.270 -0.245 0.000 0.422 403 Y N 6.803 126.858 120.300 -0.408 0.000 2.335 403 Y HA 0.108 4.519 4.550 -0.231 0.000 0.339 403 Y C -2.487 173.312 175.900 -0.168 0.000 0.987 403 Y CA -1.790 56.162 58.100 -0.247 0.000 1.140 403 Y CB 2.272 40.644 38.460 -0.146 0.000 1.173 403 Y HN 1.100 9.089 8.280 -0.305 0.108 0.486 404 D N 8.842 129.047 120.400 -0.325 0.000 2.401 404 D HA -0.072 4.554 4.640 -0.023 0.000 0.254 404 D C -0.789 175.536 176.300 0.041 0.000 1.192 404 D CA 1.969 55.888 54.000 -0.137 0.000 0.885 404 D CB 1.260 41.939 40.800 -0.202 0.000 1.147 404 D HN 0.147 8.187 8.370 -0.550 0.000 0.478 405 E N 7.375 127.713 120.200 0.229 0.000 2.075 405 E HA -0.081 4.544 4.350 0.458 0.000 0.190 405 E C 1.350 178.072 176.600 0.203 0.000 0.969 405 E CA 1.836 58.428 56.400 0.319 0.000 0.815 405 E CB 0.524 30.453 29.700 0.382 0.000 0.776 405 E HN -0.208 8.276 8.360 0.207 0.000 0.457 406 R N -1.603 118.997 120.500 0.168 0.000 2.070 406 R HA -0.200 4.194 4.340 0.089 0.000 0.233 406 R C 1.720 178.043 176.300 0.038 0.000 1.137 406 R CA 2.199 58.354 56.100 0.091 0.000 0.945 406 R CB -0.068 30.273 30.300 0.067 0.000 0.845 406 R HN -0.585 7.809 8.270 0.206 0.000 0.430 407 R N -2.658 117.848 120.500 0.010 0.000 2.075 407 R HA -0.130 4.192 4.340 -0.031 0.000 0.232 407 R C 0.106 176.363 176.300 -0.073 0.000 1.126 407 R CA 0.918 56.993 56.100 -0.042 0.000 0.963 407 R CB 0.395 30.651 30.300 -0.074 0.000 0.858 407 R HN -0.271 8.014 8.270 0.024 0.000 0.435 408 Q N -4.764 114.981 119.800 -0.092 0.000 2.498 408 Q HA -0.331 4.135 4.340 0.019 -0.115 0.270 408 Q C -1.904 173.898 176.000 -0.330 0.000 0.936 408 Q CA 0.351 56.090 55.803 -0.108 0.000 1.078 408 Q CB -0.948 27.773 28.738 -0.028 0.000 1.322 408 Q HN -0.338 7.778 8.270 -0.078 0.107 0.582 409 M N -1.649 117.674 119.600 -0.463 0.000 2.090 409 M HA 0.220 4.410 4.480 -0.483 0.000 0.277 409 M C -1.280 174.657 176.300 -0.605 0.000 0.935 409 M CA -0.854 54.162 55.300 -0.474 0.000 0.966 409 M CB 1.541 33.975 32.600 -0.277 0.000 1.635 409 M HN -0.782 7.259 8.290 -0.414 0.000 0.446 410 M N 4.669 123.830 119.600 -0.732 0.000 2.252 410 M HA -0.038 4.018 4.480 -0.707 0.000 0.333 410 M C -0.431 175.658 176.300 -0.352 0.000 1.111 410 M CA 0.413 55.370 55.300 -0.573 0.000 1.140 410 M CB 0.174 32.598 32.600 -0.293 0.000 1.538 410 M HN 0.152 8.027 8.290 -0.690 0.000 0.448 411 D N 3.397 123.590 120.400 -0.344 0.000 2.361 411 D HA 0.129 4.632 4.640 -0.229 0.000 0.239 411 D C -0.757 175.419 176.300 -0.207 0.000 1.200 411 D CA 0.233 54.069 54.000 -0.272 0.000 0.915 411 D CB 0.655 41.221 40.800 -0.390 0.000 1.170 411 D HN -0.199 7.940 8.370 -0.385 0.000 0.444 412 P HA -0.041 4.296 4.420 -0.138 0.000 0.263 412 P C 0.080 177.315 177.300 -0.108 0.000 1.601 412 P CA 0.064 63.102 63.100 -0.104 0.000 1.161 412 P CB -1.128 30.540 31.700 -0.054 0.000 1.730 413 G N 4.617 113.264 108.800 -0.254 0.000 5.266 413 G HA2 -0.485 3.085 3.960 -0.650 0.000 0.262 413 G HA3 -0.485 3.372 3.960 -0.171 0.000 0.262 413 G C -1.310 173.465 174.900 -0.207 0.000 1.359 413 G CA 0.379 45.275 45.100 -0.341 0.000 0.955 413 G HN -0.043 8.032 8.290 -0.335 0.014 0.754 414 Y N -1.101 119.102 120.300 -0.162 0.000 3.038 414 Y HA -0.282 4.226 4.550 -0.070 0.000 0.176 414 Y C -2.423 173.547 175.900 0.116 0.000 1.628 414 Y CA -0.857 57.195 58.100 -0.079 0.000 1.020 414 Y CB -0.947 37.406 38.460 -0.178 0.000 1.423 414 Y HN -0.179 8.087 8.280 0.033 0.034 0.418 415 P HA 0.047 4.790 4.420 0.393 -0.088 0.235 415 P C -1.173 176.167 177.300 0.066 0.000 1.765 415 P CA -0.630 62.595 63.100 0.208 0.000 1.034 415 P CB -1.401 30.395 31.700 0.160 0.000 1.984 416 K N -0.281 120.156 120.400 0.063 0.000 2.362 416 K HA 0.148 4.447 4.320 -0.035 0.000 0.245 416 K C -0.396 176.315 176.600 0.186 0.000 1.040 416 K CA -1.844 54.475 56.287 0.053 0.000 0.961 416 K CB 1.280 33.782 32.500 0.004 0.000 1.252 416 K HN 0.155 8.451 8.250 0.162 0.052 0.503 417 L N -1.607 119.734 121.223 0.196 0.000 2.386 417 L HA 0.426 4.828 4.340 0.103 0.000 0.271 417 L C 0.659 177.567 176.870 0.063 0.000 0.993 417 L CA -1.557 53.350 54.840 0.111 0.000 0.819 417 L CB 2.110 44.195 42.059 0.043 0.000 1.294 417 L HN 0.096 8.448 8.230 0.204 0.000 0.414 418 I N 4.683 125.216 120.570 -0.061 0.000 2.086 418 I HA -0.424 3.519 4.170 -0.379 0.000 0.233 418 I C 1.833 177.849 176.117 -0.167 0.000 1.060 418 I CA 4.158 65.305 61.300 -0.253 0.000 1.326 418 I CB 0.200 37.919 38.000 -0.468 0.000 1.067 418 I HN 0.555 8.729 8.210 -0.059 0.000 0.398 419 T N 0.046 114.522 114.554 -0.130 0.000 2.795 419 T HA -0.498 3.981 4.350 -0.062 -0.166 0.266 419 T C 1.671 176.351 174.700 -0.033 0.000 1.056 419 T CA 4.268 66.326 62.100 -0.069 0.000 1.141 419 T CB -0.283 68.549 68.868 -0.060 0.000 0.840 419 T HN 0.105 8.256 8.240 -0.148 0.000 0.493 420 K N -1.479 118.905 120.400 -0.027 0.000 1.967 420 K HA -0.280 4.038 4.320 -0.004 0.000 0.212 420 K C 1.553 178.158 176.600 0.008 0.000 1.044 420 K CA 2.786 59.072 56.287 -0.001 0.000 0.942 420 K CB -0.117 32.394 32.500 0.018 0.000 0.726 420 K HN -0.359 7.743 8.250 -0.033 0.128 0.440 421 N N -2.269 116.441 118.700 0.017 0.000 2.037 421 N HA -0.256 4.530 4.740 0.076 0.000 0.196 421 N C 1.044 176.630 175.510 0.126 0.000 1.034 421 N CA 2.654 55.739 53.050 0.059 0.000 0.861 421 N CB 0.553 39.009 38.487 -0.051 0.000 1.039 421 N HN -0.557 7.828 8.380 0.009 0.000 0.427 422 F N -0.290 119.480 119.950 -0.300 0.000 2.366 422 F HA 0.227 4.598 4.527 -0.259 0.000 0.366 422 F C -1.563 174.148 175.800 -0.149 0.000 1.096 422 F CA -1.650 56.136 58.000 -0.357 0.000 1.060 422 F CB 0.801 39.340 39.000 -0.770 0.000 1.282 422 F HN 0.122 8.329 8.300 0.022 0.106 0.450 423 Q N 3.320 123.150 119.800 0.049 0.000 2.337 423 Q HA 0.344 4.832 4.340 0.045 -0.121 0.255 423 Q C 0.261 176.353 176.000 0.154 0.000 0.997 423 Q CA -0.308 55.535 55.803 0.067 0.000 0.925 423 Q CB 0.123 28.869 28.738 0.013 0.000 1.212 423 Q HN 0.500 8.765 8.270 -0.009 0.000 0.436 424 G N 4.444 113.342 108.800 0.164 0.000 3.511 424 G HA2 -0.186 3.867 3.960 0.155 0.000 0.218 424 G HA3 -0.186 3.921 3.960 0.246 0.000 0.218 424 G C -0.768 174.273 174.900 0.236 0.000 1.001 424 G CA 0.491 45.719 45.100 0.213 0.000 0.877 424 G HN 0.377 8.730 8.290 0.105 0.000 0.450 425 I N -0.876 119.808 120.570 0.191 0.000 2.270 425 I HA 0.053 4.302 4.170 0.133 0.000 0.239 425 I C 0.060 176.140 176.117 -0.061 0.000 1.080 425 I CA 0.852 62.210 61.300 0.098 0.000 1.383 425 I CB 1.050 39.112 38.000 0.103 0.000 1.097 425 I HN -0.644 7.681 8.210 0.191 0.000 0.420 426 G N -1.344 107.424 108.800 -0.054 0.000 2.340 426 G HA2 -0.033 3.880 3.960 -0.078 0.000 0.527 426 G HA3 -0.033 3.851 3.960 -0.126 0.000 0.527 426 G C -2.771 172.062 174.900 -0.112 0.000 1.381 426 G CA -0.701 44.343 45.100 -0.094 0.000 1.001 426 G HN -0.666 7.605 8.290 -0.031 0.000 0.626 427 P HA -0.057 4.291 4.420 -0.121 0.000 0.229 427 P C -1.301 175.924 177.300 -0.126 0.000 1.160 427 P CA 0.549 63.586 63.100 -0.106 0.000 0.777 427 P CB 0.731 32.391 31.700 -0.068 0.000 0.814 428 K N -3.017 117.313 120.400 -0.116 0.000 2.345 428 K HA 0.442 4.706 4.320 -0.093 0.000 0.255 428 K C -1.552 174.992 176.600 -0.094 0.000 0.934 428 K CA -1.596 54.634 56.287 -0.094 0.000 0.801 428 K CB 2.740 35.204 32.500 -0.061 0.000 1.137 428 K HN -0.338 7.807 8.250 -0.112 0.038 0.424 429 I N 3.600 124.134 120.570 -0.060 0.000 2.499 429 I HA 0.022 4.210 4.170 0.030 0.000 0.288 429 I C -1.265 174.961 176.117 0.183 0.000 1.048 429 I CA -1.139 60.182 61.300 0.035 0.000 1.062 429 I CB 3.388 41.353 38.000 -0.058 0.000 1.238 429 I HN 0.252 8.437 8.210 -0.041 0.000 0.426 430 D N 7.089 127.632 120.400 0.238 0.000 2.119 430 D HA -0.085 4.723 4.640 0.281 0.000 0.231 430 D C -0.152 176.398 176.300 0.417 0.000 0.999 430 D CA 2.468 56.690 54.000 0.371 0.000 0.915 430 D CB 1.074 42.238 40.800 0.606 0.000 1.017 430 D HN 0.029 8.515 8.370 0.192 0.000 0.437 431 A N -2.315 120.842 122.820 0.560 0.000 2.320 431 A HA 0.200 4.713 4.320 0.322 0.000 0.334 431 A C -2.478 175.323 177.584 0.361 0.000 1.147 431 A CA -0.961 51.334 52.037 0.429 0.000 0.820 431 A CB 2.629 21.876 19.000 0.412 0.000 1.218 431 A HN -0.318 8.353 8.150 0.869 0.000 0.482 432 V N 1.238 121.303 119.914 0.251 0.000 2.711 432 V HA 0.736 4.956 4.120 -0.093 -0.155 0.304 432 V C -2.101 174.137 176.094 0.240 0.000 1.097 432 V CA -1.873 60.420 62.300 -0.012 0.000 0.906 432 V CB 3.171 34.717 31.823 -0.461 0.000 1.015 432 V HN 0.258 8.594 8.190 0.245 0.000 0.427 433 F N 3.852 123.840 119.950 0.063 0.000 2.619 433 F HA 0.512 5.111 4.527 0.120 0.000 0.308 433 F C -2.970 172.950 175.800 0.200 0.000 1.097 433 F CA -2.188 55.885 58.000 0.120 0.000 0.953 433 F CB 2.206 41.241 39.000 0.058 0.000 1.287 433 F HN -0.206 7.887 8.300 -0.346 0.000 0.446 434 Y N 3.594 123.988 120.300 0.157 0.000 2.650 434 Y HA 0.189 4.737 4.550 -0.003 0.000 0.343 434 Y C -0.745 175.137 175.900 -0.030 0.000 1.078 434 Y CA -1.365 56.763 58.100 0.046 0.000 1.356 434 Y CB -0.607 37.924 38.460 0.117 0.000 1.204 434 Y HN 0.542 9.092 8.280 0.450 0.000 0.508 435 S N 4.863 120.556 115.700 -0.011 0.000 2.532 435 S HA 0.273 4.760 4.470 0.029 0.000 0.256 435 S C -1.017 173.366 174.600 -0.361 0.000 1.298 435 S CA -0.567 57.545 58.200 -0.147 0.000 1.166 435 S CB -0.008 63.129 63.200 -0.106 0.000 1.022 435 S HN 0.105 8.204 8.310 -0.352 0.000 0.480 436 K N 4.398 124.782 120.400 -0.027 0.000 4.085 436 K HA 0.054 4.388 4.320 0.023 0.000 0.515 436 K C -1.913 174.779 176.600 0.153 0.000 0.970 436 K CA 0.071 56.399 56.287 0.068 0.000 0.835 436 K CB 0.715 33.312 32.500 0.160 0.000 1.590 436 K HN -0.182 8.112 8.250 0.074 0.000 0.659 437 N N -0.478 118.367 118.700 0.241 0.000 2.454 437 N HA -0.043 4.754 4.740 0.095 0.000 0.177 437 N C -1.421 174.181 175.510 0.155 0.000 1.049 437 N CA 1.269 54.420 53.050 0.168 0.000 0.887 437 N CB 1.097 39.688 38.487 0.173 0.000 1.095 437 N HN 0.211 8.815 8.380 0.373 0.000 0.446 438 K N -3.146 117.383 120.400 0.216 0.000 3.542 438 K HA 0.088 4.473 4.320 0.110 0.000 0.161 438 K C -2.702 173.731 176.600 -0.279 0.000 1.001 438 K CA 0.433 56.725 56.287 0.007 0.000 0.817 438 K CB -0.348 32.107 32.500 -0.074 0.000 0.742 438 K HN -0.255 8.257 8.250 0.436 0.000 0.466 439 Y N -3.864 116.394 120.300 -0.070 0.000 2.669 439 Y HA 0.229 4.877 4.550 0.024 -0.084 0.335 439 Y C -0.883 174.635 175.900 -0.636 0.000 1.116 439 Y CA -1.256 56.769 58.100 -0.125 0.000 1.081 439 Y CB 4.009 42.578 38.460 0.181 0.000 1.297 439 Y HN -0.682 7.745 8.280 0.246 0.000 0.484 440 Y N -3.104 117.376 120.300 0.300 0.000 2.327 440 Y HA 0.199 4.676 4.550 -0.122 0.000 0.325 440 Y C -1.453 174.765 175.900 0.530 0.000 0.999 440 Y CA -1.019 57.192 58.100 0.185 0.000 1.195 440 Y CB 1.751 40.277 38.460 0.111 0.000 1.132 440 Y HN 0.322 9.005 8.280 0.671 0.000 0.455 441 Y N 2.849 123.226 120.300 0.129 0.000 2.486 441 Y HA 0.074 4.746 4.550 0.204 0.000 0.348 441 Y C -1.502 174.489 175.900 0.151 0.000 1.000 441 Y CA -0.999 57.086 58.100 -0.025 0.000 1.253 441 Y CB -0.556 37.446 38.460 -0.765 0.000 1.140 441 Y HN -0.052 8.353 8.280 0.208 0.000 0.526 442 F N 4.041 124.137 119.950 0.244 0.000 2.546 442 F HA 0.413 5.142 4.527 0.337 0.000 0.320 442 F C -1.785 174.290 175.800 0.459 0.000 1.076 442 F CA -1.784 56.415 58.000 0.331 0.000 0.928 442 F CB 4.447 43.622 39.000 0.292 0.000 1.189 442 F HN 0.723 9.416 8.300 0.656 0.000 0.465 443 F N 1.053 121.230 119.950 0.379 0.000 2.641 443 F HA 0.594 5.422 4.527 0.301 -0.120 0.308 443 F C -2.699 173.242 175.800 0.235 0.000 1.105 443 F CA -1.272 56.928 58.000 0.334 0.000 0.964 443 F CB 4.287 43.558 39.000 0.451 0.000 1.294 443 F HN -0.126 8.505 8.300 0.553 0.000 0.442 444 Q N 5.576 124.855 119.800 -0.868 0.000 2.567 444 Q HA 0.236 4.390 4.340 -0.635 -0.195 0.233 444 Q C -1.327 174.187 176.000 -0.810 0.000 0.833 444 Q CA -0.265 55.103 55.803 -0.725 0.000 0.844 444 Q CB 2.982 31.564 28.738 -0.260 0.000 1.423 444 Q HN -0.151 7.594 8.270 -0.874 0.000 0.442 445 G N 7.468 115.728 108.800 -0.900 0.000 3.662 445 G HA2 -0.284 3.546 3.960 -0.216 0.000 0.251 445 G HA3 -0.284 3.479 3.960 -0.328 0.000 0.251 445 G C -1.863 172.850 174.900 -0.312 0.000 1.815 445 G CA 0.623 45.468 45.100 -0.426 0.000 1.373 445 G HN 0.394 8.252 8.290 -0.988 -0.161 0.571 446 S N 3.292 118.854 115.700 -0.230 0.000 3.022 446 S HA 0.156 4.817 4.470 0.318 0.000 0.247 446 S C -2.295 172.398 174.600 0.155 0.000 0.845 446 S CA -0.074 58.174 58.200 0.080 0.000 1.104 446 S CB 0.439 63.666 63.200 0.045 0.000 1.228 446 S HN -0.062 8.084 8.310 -0.273 0.000 0.532 447 N N 0.564 119.324 118.700 0.101 0.000 2.310 447 N HA 0.156 5.203 4.740 0.336 -0.105 0.292 447 N C -2.139 173.686 175.510 0.525 0.000 1.049 447 N CA -0.422 52.806 53.050 0.297 0.000 0.849 447 N CB 3.839 42.460 38.487 0.224 0.000 1.532 447 N HN -0.488 7.736 8.380 -0.260 0.000 0.479 448 Q N 1.480 121.641 119.800 0.602 0.000 2.563 448 Q HA 0.380 5.267 4.340 0.750 -0.097 0.232 448 Q C -1.137 175.171 176.000 0.513 0.000 1.106 448 Q CA -1.244 54.920 55.803 0.602 0.000 0.913 448 Q CB 0.591 29.612 28.738 0.472 0.000 1.175 448 Q HN 0.855 9.280 8.270 0.479 0.132 0.540 449 F N 4.305 124.398 119.950 0.238 0.000 2.384 449 F HA 0.461 5.256 4.527 0.114 -0.199 0.338 449 F C -0.581 175.335 175.800 0.193 0.000 1.103 449 F CA -2.013 56.093 58.000 0.176 0.000 1.157 449 F CB 1.794 40.906 39.000 0.187 0.000 1.167 449 F HN 0.265 9.030 8.300 0.774 0.000 0.529 450 E N 2.575 122.902 120.200 0.211 0.000 2.210 450 E HA 0.472 5.192 4.350 0.344 -0.164 0.266 450 E C -2.284 174.498 176.600 0.302 0.000 0.883 450 E CA -2.063 54.476 56.400 0.232 0.000 0.761 450 E CB 4.184 33.898 29.700 0.024 0.000 1.156 450 E HN -0.035 8.356 8.360 0.052 0.000 0.412 451 Y N 4.837 125.321 120.300 0.307 0.000 2.387 451 Y HA 0.027 4.686 4.550 0.180 0.000 0.336 451 Y C -2.330 173.835 175.900 0.441 0.000 1.067 451 Y CA -0.047 58.220 58.100 0.278 0.000 1.114 451 Y CB 3.219 41.794 38.460 0.193 0.000 1.208 451 Y HN 0.615 9.263 8.280 0.612 0.000 0.458 452 D N 4.873 125.450 120.400 0.295 0.000 2.505 452 D HA 0.254 5.061 4.640 0.277 0.000 0.250 452 D C -0.549 175.888 176.300 0.229 0.000 1.164 452 D CA -2.660 51.492 54.000 0.255 0.000 0.870 452 D CB 1.862 42.768 40.800 0.177 0.000 1.160 452 D HN -0.201 8.078 8.370 -0.151 0.000 0.549 453 F N 7.168 127.263 119.950 0.243 0.000 2.373 453 F HA -0.283 4.359 4.527 0.193 0.000 0.300 453 F C 0.350 176.183 175.800 0.054 0.000 1.080 453 F CA 1.805 59.924 58.000 0.198 0.000 1.417 453 F CB 0.320 39.506 39.000 0.310 0.000 1.070 453 F HN 0.490 9.161 8.300 0.617 0.000 0.546 454 L N -0.636 120.687 121.223 0.166 0.000 2.064 454 L HA -0.335 4.110 4.340 0.174 0.000 0.216 454 L C 0.454 177.278 176.870 -0.076 0.000 1.077 454 L CA 2.605 57.488 54.840 0.072 0.000 0.766 454 L CB 0.533 42.613 42.059 0.034 0.000 0.890 454 L HN -0.359 8.253 8.230 0.138 -0.300 0.435 455 L N -11.761 109.375 121.223 -0.145 0.000 3.616 455 L HA 0.266 4.457 4.340 -0.249 0.000 0.363 455 L C -1.399 175.324 176.870 -0.245 0.000 1.344 455 L CA -0.381 54.341 54.840 -0.197 0.000 0.997 455 L CB 0.812 42.797 42.059 -0.124 0.000 1.365 455 L HN -0.691 7.467 8.230 -0.119 0.001 0.607 456 Q N -4.177 115.454 119.800 -0.282 0.000 2.443 456 Q HA -0.469 3.753 4.340 -0.294 -0.058 0.337 456 Q C -1.216 174.463 176.000 -0.534 0.000 1.401 456 Q CA 1.345 56.930 55.803 -0.363 0.000 0.943 456 Q CB -2.651 25.915 28.738 -0.287 0.000 1.177 456 Q HN -0.173 7.827 8.270 -0.250 0.120 0.394 457 R N -1.214 118.988 120.500 -0.496 0.000 2.628 457 R HA 0.264 4.352 4.340 -0.421 0.000 0.288 457 R C -1.828 174.252 176.300 -0.367 0.000 0.980 457 R CA -1.240 54.627 56.100 -0.388 0.000 0.891 457 R CB 2.785 32.966 30.300 -0.200 0.000 1.188 457 R HN -0.733 7.310 8.270 -0.378 0.000 0.450 458 I N 4.003 124.374 120.570 -0.331 0.000 2.307 458 I HA 0.115 4.329 4.170 -0.160 -0.140 0.289 458 I C -0.185 175.838 176.117 -0.157 0.000 1.021 458 I CA -0.523 60.649 61.300 -0.213 0.000 1.224 458 I CB 0.489 38.389 38.000 -0.167 0.000 1.376 458 I HN 0.160 8.185 8.210 -0.309 0.000 0.470 459 T N 6.524 121.018 114.554 -0.099 0.000 3.308 459 T HA 0.180 4.461 4.350 -0.115 0.000 0.270 459 T C -0.770 173.863 174.700 -0.110 0.000 0.992 459 T CA -0.411 61.634 62.100 -0.092 0.000 0.931 459 T CB 0.035 68.882 68.868 -0.036 0.000 1.142 459 T HN 0.268 8.482 8.240 -0.044 0.000 0.525 460 K N 2.007 122.303 120.400 -0.173 0.000 2.695 460 K HA 0.281 4.512 4.320 -0.149 0.000 0.255 460 K C -2.264 174.143 176.600 -0.322 0.000 1.016 460 K CA 0.479 56.657 56.287 -0.181 0.000 0.928 460 K CB 2.053 34.475 32.500 -0.129 0.000 1.235 460 K HN -0.480 7.573 8.250 -0.223 0.063 0.467 461 T N 7.032 121.406 114.554 -0.301 0.000 3.150 461 T HA 0.238 4.195 4.350 -0.655 0.000 0.383 461 T C -0.615 174.010 174.700 -0.126 0.000 1.313 461 T CA -0.457 61.406 62.100 -0.395 0.000 1.235 461 T CB -0.798 67.814 68.868 -0.426 0.000 1.088 461 T HN 0.018 8.135 8.240 -0.206 0.000 0.556 462 L N 0.695 121.908 121.223 -0.016 0.000 2.230 462 L HA 0.663 5.024 4.340 0.036 0.000 0.255 462 L C -2.137 174.842 176.870 0.182 0.000 1.039 462 L CA -2.289 52.591 54.840 0.066 0.000 0.846 462 L CB 3.322 45.408 42.059 0.046 0.000 1.419 462 L HN -0.569 7.663 8.230 0.003 0.000 0.435 463 K N -2.423 118.081 120.400 0.173 0.000 2.245 463 K HA 0.379 4.966 4.320 0.286 -0.095 0.234 463 K C 0.509 177.264 176.600 0.258 0.000 1.021 463 K CA -2.258 54.163 56.287 0.223 0.000 0.898 463 K CB 1.978 34.569 32.500 0.152 0.000 1.163 463 K HN -0.312 8.011 8.250 0.123 0.000 0.459 464 S N -0.847 115.022 115.700 0.282 0.000 2.402 464 S HA -0.242 4.413 4.470 0.308 0.000 0.229 464 S C 0.341 175.020 174.600 0.132 0.000 1.021 464 S CA 2.874 61.223 58.200 0.247 0.000 0.974 464 S CB -0.101 63.209 63.200 0.183 0.000 0.800 464 S HN 0.755 9.240 8.310 0.292 0.000 0.484 465 N N 0.044 118.807 118.700 0.104 0.000 3.131 465 N HA 0.094 4.853 4.740 0.031 0.000 0.312 465 N C -1.163 174.420 175.510 0.121 0.000 1.433 465 N CA -1.211 51.878 53.050 0.065 0.000 1.141 465 N CB -1.447 37.036 38.487 -0.007 0.000 1.431 465 N HN 0.063 8.500 8.380 0.114 0.012 0.523 466 S N -0.592 115.196 115.700 0.148 0.000 2.578 466 S HA 0.164 4.666 4.470 0.053 0.000 0.228 466 S C -0.229 174.373 174.600 0.003 0.000 1.022 466 S CA 0.532 58.774 58.200 0.070 0.000 0.967 466 S CB 0.566 63.791 63.200 0.041 0.000 0.914 466 S HN -0.456 7.914 8.310 0.195 0.057 0.515 467 W N 0.499 121.827 121.300 0.047 0.000 2.699 467 W HA -0.059 4.610 4.660 0.014 0.000 0.267 467 W C 2.102 178.632 176.519 0.018 0.000 1.182 467 W CA 1.425 58.782 57.345 0.019 0.000 1.453 467 W CB 0.991 30.453 29.460 0.002 0.000 1.054 467 W HN -0.482 7.897 8.180 0.332 0.000 0.595 468 F N 0.865 120.872 119.950 0.094 0.000 2.087 468 F HA -0.350 4.170 4.527 -0.011 0.000 0.299 468 F C 0.501 176.308 175.800 0.011 0.000 1.100 468 F CA 2.166 60.164 58.000 -0.004 0.000 1.226 468 F CB 0.308 39.257 39.000 -0.085 0.000 0.983 468 F HN 0.149 8.660 8.300 0.352 0.000 0.479 469 G N -1.611 107.331 108.800 0.237 0.000 2.678 469 G HA2 -0.140 3.835 3.960 0.024 0.000 0.175 469 G HA3 -0.140 3.723 3.960 -0.162 0.000 0.175 469 G C -1.641 173.437 174.900 0.296 0.000 1.078 469 G CA -0.885 44.256 45.100 0.068 0.000 0.864 469 G HN -0.107 8.425 8.290 0.403 0.000 0.521 470 c N 0.000 118.796 118.600 0.326 0.000 2.653 470 c HA 0.000 4.679 4.570 0.182 0.000 0.325 470 c CA 0.000 56.466 56.329 0.228 0.000 1.963 470 c CB 0.000 42.653 42.510 0.239 0.000 2.134 470 c HN 0.000 8.389 8.230 0.266 0.000 0.568