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 2h1p_1_H DATA FIRST_RESID 301 DATA SEQUENCE DVKLVESGGG LVKLGGSLKL ScAASGFTFS SYFLSWVRQT PEKRLELVAT DATA SEQUENCE INSNGDKTYH PDTMKGRFTI SRDNAKNTLY LQMSSLKSED TALYYcARRD DATA SEQUENCE SSASLYFDYW GQGTTLTVSS AKTTPPSVYP LAPGSAAQTN SMVTLGcLVK DATA SEQUENCE GYFPEPVTVT WNSGSLSSGV HTFPAVLQSD LYTLSSSVTV PSSTWPSETV DATA SEQUENCE TcNVAHPASS TKVDKKIVPR 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 301 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 301 D C 0.000 176.303 176.300 0.006 0.000 2.045 301 D CA 0.000 54.023 54.000 0.038 0.000 0.868 301 D CB 0.000 40.846 40.800 0.077 0.000 0.688 302 V N 1.237 121.083 119.914 -0.114 0.000 2.432 302 V HA 0.401 4.519 4.120 -0.003 0.000 0.275 302 V C 0.124 176.174 176.094 -0.074 0.000 1.043 302 V CA 0.229 62.328 62.300 -0.336 0.000 0.925 302 V CB 1.080 31.926 31.823 -1.628 0.000 0.985 302 V HN 0.372 8.562 8.190 -0.000 0.000 0.466 303 K N 5.346 125.793 120.400 0.079 0.000 2.581 303 K HA 0.582 4.900 4.320 -0.003 0.000 0.249 303 K C -1.693 174.992 176.600 0.141 0.000 0.966 303 K CA -0.633 55.726 56.287 0.120 0.000 0.811 303 K CB 1.549 34.104 32.500 0.091 0.000 1.223 303 K HN 0.582 8.832 8.250 -0.000 0.000 0.438 304 L N 3.564 124.875 121.223 0.147 0.000 2.322 304 L HA 0.621 4.959 4.340 -0.003 0.000 0.279 304 L C -0.628 176.298 176.870 0.094 0.000 1.036 304 L CA -1.278 53.634 54.840 0.121 0.000 0.807 304 L CB 1.901 44.029 42.059 0.116 0.000 1.226 304 L HN 0.240 8.470 8.230 -0.000 0.000 0.433 305 V N 1.528 121.478 119.914 0.060 0.000 2.419 305 V HA 0.265 4.383 4.120 -0.003 0.000 0.287 305 V C -0.437 175.720 176.094 0.106 0.000 1.017 305 V CA -0.809 61.540 62.300 0.081 0.000 0.844 305 V CB 1.318 33.174 31.823 0.056 0.000 1.011 305 V HN 0.687 8.877 8.190 -0.000 0.000 0.429 306 E N 2.757 123.055 120.200 0.163 0.000 2.366 306 E HA 0.667 5.015 4.350 -0.003 0.000 0.266 306 E C 0.183 176.899 176.600 0.194 0.000 1.051 306 E CA -0.071 56.480 56.400 0.252 0.000 0.884 306 E CB 1.204 31.127 29.700 0.372 0.000 1.006 306 E HN 0.884 9.244 8.360 -0.000 0.000 0.417 307 S N -0.063 115.757 115.700 0.199 0.000 2.567 307 S HA 0.684 5.152 4.470 -0.003 0.000 0.270 307 S C 0.383 175.047 174.600 0.107 0.000 1.152 307 S CA -0.454 57.823 58.200 0.128 0.000 0.835 307 S CB 1.499 64.757 63.200 0.098 0.000 1.115 307 S HN 1.037 9.347 8.310 -0.000 0.000 0.459 308 G N -0.123 108.717 108.800 0.067 0.000 2.192 308 G HA2 0.116 4.074 3.960 -0.003 0.000 0.193 308 G HA3 0.116 4.074 3.960 -0.003 0.000 0.193 308 G C 0.759 175.665 174.900 0.010 0.000 0.999 308 G CA 0.173 45.297 45.100 0.040 0.000 0.659 308 G HN 1.542 9.832 8.290 -0.000 0.000 0.503 309 G N -0.434 108.377 108.800 0.018 0.000 2.527 309 G HA2 0.719 4.677 3.960 -0.003 0.000 0.279 309 G HA3 0.719 4.677 3.960 -0.003 0.000 0.279 309 G C 0.864 175.768 174.900 0.008 0.000 1.374 309 G CA 1.283 46.385 45.100 0.003 0.000 1.053 309 G HN 1.921 10.211 8.290 -0.000 0.000 0.539 310 G N -2.300 106.509 108.800 0.015 0.000 2.325 310 G HA2 0.410 4.368 3.960 -0.003 0.000 0.285 310 G HA3 0.410 4.368 3.960 -0.003 0.000 0.285 310 G C -1.581 173.340 174.900 0.036 0.000 1.303 310 G CA -0.189 44.924 45.100 0.021 0.000 0.970 310 G HN 1.315 9.605 8.290 -0.000 0.000 0.490 311 L N 0.691 121.943 121.223 0.048 0.000 2.307 311 L HA 0.831 5.169 4.340 -0.003 0.000 0.282 311 L C 0.400 177.306 176.870 0.060 0.000 1.051 311 L CA -0.652 54.237 54.840 0.082 0.000 0.804 311 L CB 1.513 43.645 42.059 0.121 0.000 1.197 311 L HN 1.520 9.750 8.230 -0.000 0.000 0.431 312 V N 1.715 121.663 119.914 0.057 0.000 2.841 312 V HA 0.626 4.744 4.120 -0.003 0.000 0.310 312 V C -0.342 175.767 176.094 0.026 0.000 1.090 312 V CA -1.148 61.168 62.300 0.026 0.000 0.930 312 V CB 1.606 33.423 31.823 -0.009 0.000 1.014 312 V HN 0.687 8.877 8.190 -0.000 0.000 0.425 313 K N 2.680 123.084 120.400 0.007 0.000 2.276 313 K HA 0.432 4.750 4.320 -0.003 0.000 0.259 313 K C -0.123 176.463 176.600 -0.022 0.000 1.001 313 K CA -0.276 56.004 56.287 -0.011 0.000 0.927 313 K CB 0.960 33.448 32.500 -0.019 0.000 0.969 313 K HN 0.671 8.921 8.250 -0.000 0.000 0.490 314 L N 0.233 121.437 121.223 -0.032 0.000 2.483 314 L HA -0.008 4.330 4.340 -0.003 0.000 0.275 314 L C 1.596 178.440 176.870 -0.043 0.000 1.220 314 L CA 0.784 55.603 54.840 -0.035 0.000 0.833 314 L CB -0.159 41.877 42.059 -0.039 0.000 1.102 314 L HN 1.015 9.245 8.230 -0.000 0.000 0.490 315 G N 1.282 110.051 108.800 -0.052 0.000 2.196 315 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.268 315 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.268 315 G C 0.609 175.466 174.900 -0.072 0.000 0.975 315 G CA 0.162 45.224 45.100 -0.063 0.000 0.648 315 G HN 1.072 9.362 8.290 -0.000 0.000 0.538 316 G N -0.785 107.975 108.800 -0.066 0.000 2.611 316 G HA2 0.579 4.537 3.960 -0.003 0.000 0.273 316 G HA3 0.579 4.537 3.960 -0.003 0.000 0.273 316 G C 0.068 174.912 174.900 -0.093 0.000 1.305 316 G CA 0.771 45.831 45.100 -0.066 0.000 1.010 316 G HN 1.063 9.353 8.290 -0.000 0.000 0.509 317 S N -1.403 114.244 115.700 -0.088 0.000 2.564 317 S HA 0.740 5.208 4.470 -0.003 0.000 0.274 317 S C -1.042 173.502 174.600 -0.094 0.000 1.124 317 S CA -0.526 57.608 58.200 -0.110 0.000 0.869 317 S CB 1.866 65.004 63.200 -0.104 0.000 1.105 317 S HN 0.614 8.924 8.310 -0.000 0.000 0.472 318 L N 1.514 122.671 121.223 -0.110 0.000 2.643 318 L HA 0.494 4.832 4.340 -0.003 0.000 0.256 318 L C -1.797 175.012 176.870 -0.102 0.000 0.931 318 L CA -0.482 54.302 54.840 -0.094 0.000 0.895 318 L CB 2.160 44.160 42.059 -0.098 0.000 1.430 318 L HN 0.704 8.934 8.230 -0.000 0.000 0.419 319 K N 3.914 124.273 120.400 -0.070 0.000 2.449 319 K HA 0.491 4.809 4.320 -0.003 0.000 0.257 319 K C -1.401 175.198 176.600 -0.002 0.000 0.989 319 K CA -0.671 55.589 56.287 -0.046 0.000 0.916 319 K CB 1.097 33.575 32.500 -0.036 0.000 1.136 319 K HN 0.342 8.592 8.250 -0.000 0.000 0.439 320 L N 2.588 123.776 121.223 -0.058 0.000 2.349 320 L HA 0.315 4.653 4.340 -0.003 0.000 0.275 320 L C 0.177 177.174 176.870 0.212 0.000 1.115 320 L CA 0.362 55.183 54.840 -0.032 0.000 0.820 320 L CB 1.461 43.303 42.059 -0.361 0.000 1.135 320 L HN 0.604 8.834 8.230 -0.000 0.000 0.445 321 S N 0.901 116.772 115.700 0.286 0.000 2.681 321 S HA 0.646 5.114 4.470 -0.003 0.000 0.299 321 S C -0.982 173.844 174.600 0.377 0.000 1.113 321 S CA -0.534 57.846 58.200 0.300 0.000 1.013 321 S CB 1.644 64.943 63.200 0.164 0.000 1.076 321 S HN 0.737 9.047 8.310 -0.000 0.000 0.534 322 c N 2.601 121.302 118.600 0.168 0.000 2.679 322 c HA 0.758 5.326 4.570 -0.003 0.000 0.354 322 c C -0.224 173.817 174.090 -0.082 0.000 1.067 322 c CA -0.509 55.861 56.329 0.069 0.000 1.317 322 c CB -0.864 41.587 42.510 -0.098 0.000 1.843 322 c HN 0.940 9.170 8.230 -0.000 0.000 0.459 323 A N 4.327 127.097 122.820 -0.085 0.000 2.309 323 A HA 0.857 5.175 4.320 -0.003 0.000 0.298 323 A C 0.090 177.571 177.584 -0.172 0.000 1.165 323 A CA 0.121 52.047 52.037 -0.185 0.000 0.821 323 A CB 0.787 19.712 19.000 -0.126 0.000 1.102 323 A HN 2.020 10.170 8.150 -0.000 0.000 0.500 324 A N 2.586 125.197 122.820 -0.348 0.000 2.363 324 A HA 0.651 4.969 4.320 -0.003 0.000 0.296 324 A C 0.188 177.535 177.584 -0.395 0.000 1.237 324 A CA -0.025 51.855 52.037 -0.262 0.000 0.773 324 A CB 0.290 19.195 19.000 -0.159 0.000 1.153 324 A HN 1.541 9.691 8.150 -0.000 0.000 0.473 325 S N 1.028 116.620 115.700 -0.180 0.000 2.718 325 S HA 0.784 5.252 4.470 -0.003 0.000 0.300 325 S C 0.847 175.427 174.600 -0.032 0.000 1.117 325 S CA -0.058 58.042 58.200 -0.165 0.000 1.002 325 S CB 1.404 64.556 63.200 -0.081 0.000 1.092 325 S HN 2.416 10.726 8.310 -0.000 0.000 0.542 326 G N 0.230 109.010 108.800 -0.033 0.000 2.160 326 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.244 326 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.244 326 G C -0.239 174.784 174.900 0.206 0.000 1.022 326 G CA 0.435 45.578 45.100 0.071 0.000 0.741 326 G HN 2.007 10.297 8.290 -0.000 0.000 0.508 327 F N -4.093 115.808 119.950 -0.083 0.000 3.032 327 F HA 0.580 5.105 4.527 -0.004 0.000 0.331 327 F C -0.345 175.472 175.800 0.029 0.000 1.125 327 F CA -0.806 57.154 58.000 -0.067 0.000 0.873 327 F CB 0.272 39.144 39.000 -0.213 0.000 1.374 327 F HN 0.059 8.359 8.300 -0.000 0.000 0.452 328 T N 3.440 118.159 114.554 0.275 0.000 2.987 328 T HA 0.137 4.485 4.350 -0.003 0.000 0.288 328 T C 0.683 175.577 174.700 0.323 0.000 0.981 328 T CA 0.083 62.313 62.100 0.217 0.000 1.031 328 T CB -0.492 68.537 68.868 0.269 0.000 0.976 328 T HN 0.541 8.781 8.240 -0.000 0.000 0.612 329 F N 3.183 123.007 119.950 -0.210 0.000 2.043 329 F HA -0.198 4.326 4.527 -0.004 0.000 0.297 329 F C 2.658 178.538 175.800 0.133 0.000 1.121 329 F CA 1.933 59.849 58.000 -0.140 0.000 1.199 329 F CB -0.588 38.253 39.000 -0.265 0.000 0.968 329 F HN 0.496 8.796 8.300 -0.000 0.000 0.478 330 S N -0.972 114.843 115.700 0.192 0.000 2.461 330 S HA -0.206 4.262 4.470 -0.003 0.000 0.246 330 S C 2.169 176.799 174.600 0.049 0.000 1.007 330 S CA 1.543 59.790 58.200 0.078 0.000 0.976 330 S CB -0.505 62.746 63.200 0.084 0.000 0.763 330 S HN 0.485 8.795 8.310 -0.000 0.000 0.508 331 S N -0.407 115.370 115.700 0.128 0.000 2.362 331 S HA 0.162 4.630 4.470 -0.003 0.000 0.221 331 S C 0.225 174.740 174.600 -0.143 0.000 1.032 331 S CA 0.403 58.586 58.200 -0.028 0.000 0.973 331 S CB -0.201 62.931 63.200 -0.113 0.000 0.849 331 S HN 0.580 8.890 8.310 -0.000 0.000 0.465 332 Y N 0.416 120.764 120.300 0.081 0.000 2.300 332 Y HA 0.397 4.945 4.550 -0.002 0.000 0.328 332 Y C 0.261 176.247 175.900 0.145 0.000 1.270 332 Y CA -1.249 56.910 58.100 0.098 0.000 1.352 332 Y CB 0.145 38.652 38.460 0.078 0.000 1.286 332 Y HN 0.010 8.290 8.280 -0.000 0.000 0.536 333 F N 1.112 121.058 119.950 -0.007 0.000 2.378 333 F HA 0.572 5.097 4.527 -0.004 0.000 0.325 333 F C -0.362 175.418 175.800 -0.034 0.000 1.097 333 F CA -1.157 56.813 58.000 -0.050 0.000 1.079 333 F CB 0.667 39.638 39.000 -0.049 0.000 1.240 333 F HN 0.161 8.461 8.300 -0.000 0.000 0.519 334 L N 0.201 121.472 121.223 0.079 0.000 2.403 334 L HA 0.681 5.019 4.340 -0.003 0.000 0.253 334 L C -0.522 176.343 176.870 -0.008 0.000 1.045 334 L CA -0.299 54.540 54.840 -0.000 0.000 0.845 334 L CB 2.316 44.307 42.059 -0.113 0.000 1.447 334 L HN 0.499 8.729 8.230 -0.000 0.000 0.411 335 S N -1.375 114.253 115.700 -0.119 0.000 2.671 335 S HA 0.686 5.154 4.470 -0.003 0.000 0.277 335 S C -2.122 172.318 174.600 -0.266 0.000 1.165 335 S CA -0.624 57.534 58.200 -0.070 0.000 0.822 335 S CB 1.475 64.688 63.200 0.021 0.000 1.150 335 S HN 0.435 8.745 8.310 -0.000 0.000 0.479 336 W N 0.965 122.256 121.300 -0.016 0.000 2.739 336 W HA 0.738 5.393 4.660 -0.008 0.000 0.331 336 W C -0.891 175.610 176.519 -0.030 0.000 1.049 336 W CA -0.397 56.961 57.345 0.022 0.000 1.234 336 W CB 1.502 31.027 29.460 0.109 0.000 1.404 336 W HN 0.401 8.581 8.180 -0.000 0.000 0.477 337 V N 3.074 123.129 119.914 0.234 0.000 3.130 337 V HA 0.704 4.822 4.120 -0.003 0.000 0.310 337 V C -0.431 175.751 176.094 0.146 0.000 1.158 337 V CA -1.350 61.035 62.300 0.142 0.000 1.029 337 V CB 2.389 34.283 31.823 0.117 0.000 1.057 337 V HN 0.599 8.789 8.190 -0.000 0.000 0.436 338 R N 1.405 121.912 120.500 0.012 0.000 2.734 338 R HA 0.720 5.058 4.340 -0.003 0.000 0.271 338 R C -1.607 174.637 176.300 -0.093 0.000 1.021 338 R CA -0.929 55.034 56.100 -0.229 0.000 0.893 338 R CB 2.217 32.037 30.300 -0.801 0.000 1.244 338 R HN 0.619 8.889 8.270 -0.000 0.000 0.464 339 Q N 1.446 121.162 119.800 -0.140 0.000 2.320 339 Q HA 0.245 4.583 4.340 -0.003 0.000 0.268 339 Q C -1.076 174.893 176.000 -0.053 0.000 1.023 339 Q CA -0.616 55.169 55.803 -0.031 0.000 0.744 339 Q CB 2.377 31.149 28.738 0.057 0.000 1.246 339 Q HN 0.697 8.967 8.270 -0.000 0.000 0.462 340 T N 4.963 119.504 114.554 -0.023 0.000 2.934 340 T HA -0.025 4.323 4.350 -0.003 0.000 0.321 340 T C -1.793 172.920 174.700 0.023 0.000 1.080 340 T CA -0.587 61.516 62.100 0.006 0.000 1.132 340 T CB 0.494 69.375 68.868 0.022 0.000 1.039 340 T HN 0.505 8.745 8.240 -0.000 0.000 0.543 341 P HA -0.070 4.350 4.420 -0.000 0.000 0.222 341 P C 1.073 178.402 177.300 0.048 0.000 1.147 341 P CA 0.740 63.871 63.100 0.051 0.000 0.790 341 P CB 0.068 31.813 31.700 0.076 0.000 0.780 342 E N -0.304 119.923 120.200 0.045 0.000 2.437 342 E HA 0.005 4.353 4.350 -0.003 0.000 0.189 342 E C -0.282 176.338 176.600 0.034 0.000 1.054 342 E CA -0.155 56.270 56.400 0.041 0.000 0.874 342 E CB -0.372 29.353 29.700 0.041 0.000 1.011 342 E HN -0.108 8.252 8.360 -0.000 0.000 0.474 343 K N 0.802 121.220 120.400 0.031 0.000 3.795 343 K HA -0.104 4.214 4.320 -0.003 0.000 0.287 343 K C -0.779 175.837 176.600 0.027 0.000 1.083 343 K CA 0.413 56.716 56.287 0.027 0.000 0.875 343 K CB -1.266 31.247 32.500 0.023 0.000 1.413 343 K HN 0.383 8.633 8.250 -0.000 0.000 0.447 344 R N -0.152 120.366 120.500 0.031 0.000 2.836 344 R HA 0.448 4.786 4.340 -0.003 0.000 0.269 344 R C 1.501 177.830 176.300 0.048 0.000 1.010 344 R CA -0.910 55.212 56.100 0.037 0.000 0.930 344 R CB 1.401 31.722 30.300 0.036 0.000 1.218 344 R HN 0.175 8.445 8.270 -0.000 0.000 0.473 345 L N 1.307 122.566 121.223 0.059 0.000 4.636 345 L HA -0.454 3.884 4.340 -0.003 0.000 0.053 345 L C -0.347 176.581 176.870 0.096 0.000 2.779 345 L CA 2.194 57.082 54.840 0.081 0.000 1.782 345 L CB -0.202 41.899 42.059 0.069 0.000 2.661 345 L HN 0.898 9.128 8.230 -0.000 0.000 0.775 346 E N -1.658 118.591 120.200 0.082 0.000 2.312 346 E HA -0.152 4.196 4.350 -0.003 0.000 0.283 346 E C -0.914 175.729 176.600 0.071 0.000 1.066 346 E CA 0.344 56.779 56.400 0.057 0.000 0.817 346 E CB -1.746 27.958 29.700 0.007 0.000 1.304 346 E HN 0.272 8.632 8.360 -0.000 0.000 0.407 347 L N 0.258 121.545 121.223 0.108 0.000 2.349 347 L HA 0.241 4.579 4.340 -0.003 0.000 0.275 347 L C 0.835 177.757 176.870 0.086 0.000 1.115 347 L CA 0.259 55.177 54.840 0.131 0.000 0.820 347 L CB 1.391 43.574 42.059 0.206 0.000 1.135 347 L HN 0.144 8.374 8.230 -0.000 0.000 0.445 348 V N 3.917 123.880 119.914 0.081 0.000 3.013 348 V HA 0.617 4.735 4.120 -0.003 0.000 0.238 348 V C 0.450 176.600 176.094 0.093 0.000 1.161 348 V CA 0.649 62.956 62.300 0.011 0.000 1.170 348 V CB 0.155 31.921 31.823 -0.095 0.000 0.917 348 V HN 0.902 9.092 8.190 -0.000 0.000 0.478 349 A N -0.952 121.967 122.820 0.164 0.000 2.599 349 A HA 0.712 5.030 4.320 -0.003 0.000 0.294 349 A C -0.800 176.883 177.584 0.164 0.000 1.055 349 A CA -0.222 51.883 52.037 0.113 0.000 0.683 349 A CB 1.533 20.636 19.000 0.173 0.000 1.278 349 A HN 0.057 8.207 8.150 -0.000 0.000 0.412 350 T N 1.022 115.630 114.554 0.090 0.000 2.923 350 T HA 0.707 5.055 4.350 -0.003 0.000 0.311 350 T C -1.043 173.671 174.700 0.025 0.000 1.183 350 T CA -0.242 61.932 62.100 0.123 0.000 1.020 350 T CB 1.455 70.446 68.868 0.206 0.000 1.165 350 T HN 0.969 9.209 8.240 -0.000 0.000 0.482 351 I N 2.628 123.177 120.570 -0.035 0.000 2.802 351 I HA 0.465 4.633 4.170 -0.003 0.000 0.298 351 I C -0.674 175.147 176.117 -0.494 0.000 1.176 351 I CA -0.912 60.287 61.300 -0.168 0.000 1.025 351 I CB 2.148 40.105 38.000 -0.072 0.000 1.243 351 I HN 0.827 9.037 8.210 -0.000 0.000 0.424 352 N N 4.032 122.309 118.700 -0.705 0.000 2.292 352 N HA 0.198 4.936 4.740 -0.003 0.000 0.278 352 N C -0.681 174.412 175.510 -0.695 0.000 1.289 352 N CA -0.384 51.888 53.050 -1.296 0.000 0.934 352 N CB 0.017 37.996 38.487 -0.847 0.000 1.069 352 N HN 0.449 8.829 8.380 -0.000 0.000 0.513 353 S N -1.383 114.042 115.700 -0.459 0.000 2.616 353 S HA 0.288 4.756 4.470 -0.003 0.000 0.277 353 S C -0.474 174.043 174.600 -0.137 0.000 1.234 353 S CA -0.689 57.393 58.200 -0.197 0.000 1.028 353 S CB -0.024 63.139 63.200 -0.062 0.000 0.988 353 S HN 0.613 8.923 8.310 -0.000 0.000 0.522 354 N N 1.092 119.744 118.700 -0.080 0.000 2.686 354 N HA -0.143 4.595 4.740 -0.003 0.000 0.261 354 N C 0.524 176.005 175.510 -0.048 0.000 1.001 354 N CA 0.750 53.782 53.050 -0.031 0.000 0.764 354 N CB -1.291 37.189 38.487 -0.012 0.000 0.898 354 N HN 0.944 9.324 8.380 -0.000 0.000 0.544 355 G N 1.125 109.888 108.800 -0.062 0.000 2.350 355 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.278 355 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.278 355 G C 0.803 175.680 174.900 -0.039 0.000 0.592 355 G CA 0.507 45.564 45.100 -0.072 0.000 2.045 355 G HN 0.681 8.971 8.290 -0.000 0.000 0.551 356 D N -0.387 119.982 120.400 -0.052 0.000 2.342 356 D HA 0.079 4.717 4.640 -0.003 0.000 0.221 356 D C 0.531 176.818 176.300 -0.021 0.000 1.101 356 D CA 0.143 54.131 54.000 -0.021 0.000 0.837 356 D CB 0.437 41.229 40.800 -0.013 0.000 0.938 356 D HN 0.338 8.708 8.370 -0.000 0.000 0.508 357 K N -0.174 120.195 120.400 -0.051 0.000 2.535 357 K HA 0.425 4.743 4.320 -0.003 0.000 0.251 357 K C -1.080 175.496 176.600 -0.041 0.000 0.942 357 K CA -0.545 55.722 56.287 -0.035 0.000 0.798 357 K CB 2.331 34.800 32.500 -0.052 0.000 1.267 357 K HN 0.081 8.331 8.250 -0.000 0.000 0.434 358 T N -1.289 113.275 114.554 0.017 0.000 2.883 358 T HA 0.508 4.856 4.350 -0.003 0.000 0.301 358 T C -1.539 173.180 174.700 0.031 0.000 1.158 358 T CA -0.865 61.231 62.100 -0.008 0.000 1.007 358 T CB 1.370 70.256 68.868 0.031 0.000 1.186 358 T HN 0.536 8.776 8.240 -0.000 0.000 0.499 359 Y N 0.819 120.971 120.300 -0.246 0.000 2.492 359 Y HA 0.617 5.165 4.550 -0.004 0.000 0.346 359 Y C -1.260 174.402 175.900 -0.397 0.000 0.997 359 Y CA -0.822 57.174 58.100 -0.174 0.000 1.025 359 Y CB 1.785 40.219 38.460 -0.043 0.000 1.263 359 Y HN 0.890 9.170 8.280 -0.000 0.000 0.454 360 H N 5.385 123.994 119.070 -0.767 0.000 2.856 360 H HA 0.311 4.864 4.556 -0.004 0.000 0.355 360 H C -2.707 172.094 175.328 -0.879 0.000 1.079 360 H CA -1.781 53.930 56.048 -0.562 0.000 1.240 360 H CB 2.185 31.837 29.762 -0.183 0.000 1.701 360 H HN 0.473 8.753 8.280 -0.000 0.000 0.527 361 P HA -0.051 4.369 4.420 -0.000 0.000 0.278 361 P C 0.809 178.059 177.300 -0.083 0.000 1.270 361 P CA -0.073 62.892 63.100 -0.225 0.000 0.800 361 P CB 1.163 32.867 31.700 0.008 0.000 1.142 362 D N -0.932 119.475 120.400 0.012 0.000 2.194 362 D HA -0.069 4.569 4.640 -0.003 0.000 0.204 362 D C 1.602 177.928 176.300 0.044 0.000 0.964 362 D CA 1.426 55.445 54.000 0.031 0.000 0.846 362 D CB -0.256 40.574 40.800 0.050 0.000 0.962 362 D HN 0.342 8.712 8.370 -0.000 0.000 0.490 363 T N 1.694 116.285 114.554 0.062 0.000 2.643 363 T HA -0.117 4.231 4.350 -0.003 0.000 0.264 363 T C 2.002 176.773 174.700 0.118 0.000 1.045 363 T CA 0.924 63.073 62.100 0.082 0.000 1.155 363 T CB -0.097 68.827 68.868 0.092 0.000 0.863 363 T HN 0.086 8.326 8.240 -0.000 0.000 0.420 364 M N 0.998 120.692 119.600 0.155 0.000 2.446 364 M HA 0.080 4.558 4.480 -0.003 0.000 0.263 364 M C 0.950 177.379 176.300 0.216 0.000 1.066 364 M CA 0.702 56.190 55.300 0.313 0.000 1.087 364 M CB -1.194 31.563 32.600 0.263 0.000 1.406 364 M HN 0.133 8.423 8.290 -0.000 0.000 0.459 365 K N 0.896 121.345 120.400 0.080 0.000 2.453 365 K HA 0.169 4.487 4.320 -0.003 0.000 0.280 365 K C 1.119 177.691 176.600 -0.047 0.000 1.045 365 K CA 0.888 57.165 56.287 -0.018 0.000 1.059 365 K CB 0.123 32.614 32.500 -0.014 0.000 0.901 365 K HN 0.461 8.711 8.250 -0.000 0.000 0.475 366 G N 3.689 112.420 108.800 -0.115 0.000 2.399 366 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.216 366 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.216 366 G C 1.076 175.868 174.900 -0.180 0.000 1.096 366 G CA 0.186 45.212 45.100 -0.124 0.000 0.650 366 G HN 0.639 8.929 8.290 -0.000 0.000 0.512 367 R N -0.403 119.965 120.500 -0.219 0.000 2.119 367 R HA 0.330 4.668 4.340 -0.003 0.000 0.222 367 R C 0.154 176.000 176.300 -0.756 0.000 1.088 367 R CA 0.901 56.690 56.100 -0.519 0.000 0.984 367 R CB -0.037 29.860 30.300 -0.673 0.000 0.884 367 R HN 0.357 8.627 8.270 -0.000 0.000 0.447 368 F N -1.081 118.809 119.950 -0.098 0.000 2.532 368 F HA 0.375 4.900 4.527 -0.004 0.000 0.321 368 F C -0.174 175.531 175.800 -0.159 0.000 1.089 368 F CA -0.717 57.234 58.000 -0.083 0.000 0.926 368 F CB 2.438 41.447 39.000 0.015 0.000 1.168 368 F HN -0.374 7.926 8.300 -0.000 0.000 0.459 369 T N 3.823 118.452 114.554 0.126 0.000 3.170 369 T HA 0.386 4.734 4.350 -0.003 0.000 0.315 369 T C -0.743 174.117 174.700 0.266 0.000 0.967 369 T CA -0.357 61.806 62.100 0.106 0.000 1.024 369 T CB 1.019 69.866 68.868 -0.035 0.000 1.018 369 T HN 0.506 8.746 8.240 -0.000 0.000 0.449 370 I N 3.647 124.497 120.570 0.467 0.000 2.662 370 I HA 0.683 4.851 4.170 -0.003 0.000 0.291 370 I C 0.205 176.504 176.117 0.303 0.000 1.046 370 I CA 0.456 61.984 61.300 0.380 0.000 1.361 370 I CB 0.776 38.991 38.000 0.358 0.000 1.429 370 I HN 0.785 8.995 8.210 -0.000 0.000 0.558 371 S N 6.039 121.946 115.700 0.345 0.000 2.611 371 S HA 0.715 5.183 4.470 -0.003 0.000 0.268 371 S C -1.030 173.802 174.600 0.387 0.000 1.156 371 S CA -1.075 57.305 58.200 0.300 0.000 0.817 371 S CB 1.922 65.263 63.200 0.234 0.000 1.122 371 S HN 0.880 9.190 8.310 -0.000 0.000 0.466 372 R N -0.129 120.558 120.500 0.312 0.000 2.817 372 R HA 0.807 5.145 4.340 -0.003 0.000 0.268 372 R C -2.082 174.399 176.300 0.301 0.000 1.027 372 R CA -0.807 55.480 56.100 0.311 0.000 0.928 372 R CB 1.214 31.632 30.300 0.197 0.000 1.228 372 R HN 0.514 8.784 8.270 -0.000 0.000 0.469 373 D N -0.148 120.427 120.400 0.292 0.000 2.405 373 D HA 0.260 4.898 4.640 -0.003 0.000 0.264 373 D C -0.568 175.855 176.300 0.204 0.000 1.240 373 D CA -0.421 53.709 54.000 0.217 0.000 0.893 373 D CB 0.615 41.539 40.800 0.207 0.000 1.198 373 D HN 0.738 9.108 8.370 -0.000 0.000 0.514 374 N N 1.055 119.887 118.700 0.221 0.000 2.205 374 N HA -0.152 4.586 4.740 -0.003 0.000 0.186 374 N C 1.492 177.084 175.510 0.137 0.000 1.015 374 N CA 0.940 54.144 53.050 0.257 0.000 0.862 374 N CB 0.233 38.812 38.487 0.154 0.000 0.986 374 N HN 0.334 8.714 8.380 -0.000 0.000 0.429 375 A N 0.239 123.114 122.820 0.091 0.000 2.247 375 A HA -0.014 4.304 4.320 -0.003 0.000 0.205 375 A C 1.441 179.034 177.584 0.015 0.000 1.261 375 A CA 0.930 52.996 52.037 0.048 0.000 0.853 375 A CB -0.179 18.850 19.000 0.049 0.000 0.793 375 A HN 0.267 8.417 8.150 -0.000 0.000 0.487 376 K N -1.708 118.682 120.400 -0.016 0.000 2.564 376 K HA 0.034 4.352 4.320 -0.003 0.000 0.177 376 K C -0.251 176.199 176.600 -0.250 0.000 1.518 376 K CA 0.316 56.552 56.287 -0.086 0.000 1.076 376 K CB 0.128 32.614 32.500 -0.023 0.000 1.335 376 K HN 0.180 8.430 8.250 -0.000 0.000 0.571 377 N N 0.796 119.258 118.700 -0.397 0.000 2.735 377 N HA -0.136 4.602 4.740 -0.003 0.000 0.248 377 N C -1.638 173.111 175.510 -1.267 0.000 1.083 377 N CA 1.885 54.281 53.050 -1.089 0.000 0.703 377 N CB -1.293 36.744 38.487 -0.751 0.000 1.005 377 N HN 0.281 8.661 8.380 -0.000 0.000 0.550 378 T N -0.054 114.048 114.554 -0.754 0.000 2.921 378 T HA 0.597 4.945 4.350 -0.003 0.000 0.297 378 T C -0.280 174.281 174.700 -0.231 0.000 1.013 378 T CA -0.654 61.138 62.100 -0.513 0.000 0.990 378 T CB 2.289 70.861 68.868 -0.495 0.000 1.023 378 T HN 0.185 8.425 8.240 -0.000 0.000 0.447 379 L N 3.113 124.283 121.223 -0.088 0.000 2.334 379 L HA 0.829 5.167 4.340 -0.003 0.000 0.270 379 L C -1.573 175.307 176.870 0.016 0.000 1.018 379 L CA -0.322 54.586 54.840 0.113 0.000 0.811 379 L CB 0.970 43.145 42.059 0.194 0.000 1.271 379 L HN 0.722 8.952 8.230 -0.000 0.000 0.443 380 Y N 2.417 123.011 120.300 0.490 0.000 2.889 380 Y HA 0.750 5.298 4.550 -0.004 0.000 0.317 380 Y C -1.290 174.857 175.900 0.412 0.000 1.414 380 Y CA -0.990 57.385 58.100 0.458 0.000 1.091 380 Y CB 1.431 40.026 38.460 0.225 0.000 1.358 380 Y HN 0.503 8.783 8.280 -0.000 0.000 0.487 381 L N 1.944 123.320 121.223 0.255 0.000 2.845 381 L HA 0.367 4.705 4.340 -0.003 0.000 0.253 381 L C -1.561 175.274 176.870 -0.059 0.000 0.959 381 L CA -0.343 54.459 54.840 -0.065 0.000 1.001 381 L CB 1.439 43.036 42.059 -0.770 0.000 1.374 381 L HN 0.623 8.853 8.230 -0.000 0.000 0.469 382 Q N 4.708 124.506 119.800 -0.003 0.000 2.279 382 Q HA 0.686 5.024 4.340 -0.003 0.000 0.256 382 Q C -1.219 174.728 176.000 -0.089 0.000 0.937 382 Q CA 0.350 56.117 55.803 -0.060 0.000 0.933 382 Q CB 1.098 29.796 28.738 -0.067 0.000 1.189 382 Q HN 0.717 8.987 8.270 -0.000 0.000 0.417 383 M N 2.499 122.008 119.600 -0.152 0.000 2.537 383 M HA 0.390 4.868 4.480 -0.003 0.000 0.324 383 M C 0.302 176.429 176.300 -0.287 0.000 1.187 383 M CA -0.396 54.726 55.300 -0.297 0.000 0.993 383 M CB 2.214 34.651 32.600 -0.271 0.000 1.666 383 M HN 0.955 9.245 8.290 -0.000 0.000 0.461 384 S N -1.198 114.281 115.700 -0.368 0.000 3.019 384 S HA 0.208 4.676 4.470 -0.003 0.000 0.258 384 S C 0.358 174.835 174.600 -0.206 0.000 1.082 384 S CA -0.313 57.741 58.200 -0.242 0.000 0.836 384 S CB 0.400 63.479 63.200 -0.202 0.000 0.834 384 S HN 0.566 8.876 8.310 -0.000 0.000 0.457 385 S N 2.525 118.083 115.700 -0.237 0.000 2.060 385 S HA 0.501 4.969 4.470 -0.003 0.000 0.156 385 S C -0.483 174.022 174.600 -0.159 0.000 1.690 385 S CA -0.594 57.510 58.200 -0.161 0.000 1.238 385 S CB 0.311 63.432 63.200 -0.132 0.000 1.150 385 S HN 0.425 8.735 8.310 -0.000 0.000 0.437 386 L N 2.531 123.664 121.223 -0.150 0.000 2.584 386 L HA 0.107 4.445 4.340 -0.003 0.000 0.272 386 L C 0.724 177.566 176.870 -0.047 0.000 1.195 386 L CA 0.401 55.179 54.840 -0.104 0.000 0.920 386 L CB 0.117 42.131 42.059 -0.074 0.000 1.173 386 L HN 0.319 8.549 8.230 -0.000 0.000 0.489 387 K N 0.948 121.340 120.400 -0.013 0.000 2.109 387 K HA 0.217 4.535 4.320 -0.003 0.000 0.243 387 K C 1.132 177.755 176.600 0.037 0.000 1.006 387 K CA -0.199 56.093 56.287 0.009 0.000 0.917 387 K CB 1.387 33.902 32.500 0.026 0.000 1.081 387 K HN 0.637 8.887 8.250 -0.000 0.000 0.468 388 S N 0.353 116.072 115.700 0.031 0.000 2.428 388 S HA -0.112 4.356 4.470 -0.003 0.000 0.230 388 S C 1.141 175.785 174.600 0.073 0.000 1.014 388 S CA 0.659 58.886 58.200 0.045 0.000 0.957 388 S CB -0.210 63.002 63.200 0.019 0.000 0.784 388 S HN 0.674 8.984 8.310 -0.000 0.000 0.499 389 E N 1.675 121.918 120.200 0.072 0.000 2.510 389 E HA -0.120 4.228 4.350 -0.003 0.000 0.202 389 E C 0.043 176.723 176.600 0.133 0.000 1.072 389 E CA 0.703 57.156 56.400 0.088 0.000 0.883 389 E CB -0.462 29.283 29.700 0.075 0.000 0.818 389 E HN 0.535 8.895 8.360 -0.000 0.000 0.548 390 D N 1.143 121.645 120.400 0.170 0.000 2.360 390 D HA 0.012 4.650 4.640 -0.003 0.000 0.210 390 D C 0.002 176.481 176.300 0.298 0.000 1.047 390 D CA 0.251 54.417 54.000 0.277 0.000 0.854 390 D CB 0.092 41.100 40.800 0.346 0.000 0.936 390 D HN 0.001 8.371 8.370 -0.000 0.000 0.514 391 T N 1.489 116.165 114.554 0.204 0.000 2.908 391 T HA 0.421 4.769 4.350 -0.003 0.000 0.301 391 T C 0.303 175.120 174.700 0.196 0.000 1.019 391 T CA 0.251 62.470 62.100 0.197 0.000 1.152 391 T CB 0.705 69.662 68.868 0.148 0.000 0.966 391 T HN 0.217 8.457 8.240 -0.000 0.000 0.540 392 A N 2.786 125.748 122.820 0.235 0.000 2.441 392 A HA 0.515 4.833 4.320 -0.003 0.000 0.295 392 A C -1.869 175.770 177.584 0.091 0.000 0.992 392 A CA -0.950 51.140 52.037 0.088 0.000 0.603 392 A CB 0.426 19.376 19.000 -0.082 0.000 1.385 392 A HN 0.679 8.829 8.150 -0.000 0.000 0.470 393 L N 0.965 122.127 121.223 -0.102 0.000 2.265 393 L HA 0.689 5.027 4.340 -0.003 0.000 0.288 393 L C -1.380 175.297 176.870 -0.321 0.000 1.058 393 L CA -0.294 54.451 54.840 -0.158 0.000 0.809 393 L CB -0.017 41.871 42.059 -0.286 0.000 1.179 393 L HN 0.506 8.736 8.230 -0.000 0.000 0.429 394 Y N 5.606 125.817 120.300 -0.149 0.000 2.404 394 Y HA 0.388 4.935 4.550 -0.005 0.000 0.344 394 Y C -0.629 175.350 175.900 0.133 0.000 0.970 394 Y CA -0.050 58.060 58.100 0.018 0.000 1.180 394 Y CB 0.354 38.848 38.460 0.056 0.000 1.138 394 Y HN 0.455 8.735 8.280 -0.000 0.000 0.510 395 Y N 1.487 122.009 120.300 0.371 0.000 2.310 395 Y HA 0.378 4.922 4.550 -0.009 0.000 0.326 395 Y C 0.416 176.436 175.900 0.201 0.000 1.151 395 Y CA -0.928 57.374 58.100 0.337 0.000 1.195 395 Y CB 0.926 39.628 38.460 0.403 0.000 1.210 395 Y HN 0.546 8.826 8.280 -0.000 0.000 0.483 396 c N 2.944 121.616 118.600 0.120 0.000 2.401 396 c HA 0.917 5.485 4.570 -0.003 0.000 0.365 396 c C -0.149 173.776 174.090 -0.276 0.000 1.250 396 c CA -0.256 55.803 56.329 -0.449 0.000 2.131 396 c CB -1.030 41.254 42.510 -0.377 0.000 2.445 396 c HN 0.888 9.118 8.230 -0.000 0.000 0.550 397 A N 5.160 127.714 122.820 -0.443 0.000 2.540 397 A HA 0.727 5.045 4.320 -0.003 0.000 0.297 397 A C -0.952 176.463 177.584 -0.281 0.000 1.056 397 A CA -0.607 51.108 52.037 -0.536 0.000 0.700 397 A CB 0.942 19.204 19.000 -1.229 0.000 1.280 397 A HN 0.943 9.093 8.150 -0.000 0.000 0.398 398 R N 1.598 122.006 120.500 -0.153 0.000 2.312 398 R HA 0.518 4.856 4.340 -0.003 0.000 0.311 398 R C -0.079 176.271 176.300 0.083 0.000 1.004 398 R CA -0.542 55.546 56.100 -0.020 0.000 0.902 398 R CB 0.906 31.122 30.300 -0.140 0.000 1.073 398 R HN 0.791 9.061 8.270 -0.000 0.000 0.457 399 R N 3.030 123.593 120.500 0.104 0.000 2.410 399 R HA 0.043 4.381 4.340 -0.003 0.000 0.288 399 R C -0.500 175.732 176.300 -0.113 0.000 1.051 399 R CA -0.495 55.572 56.100 -0.056 0.000 1.021 399 R CB 0.699 30.929 30.300 -0.117 0.000 1.032 399 R HN 0.824 9.094 8.270 -0.000 0.000 0.481 400 D N 2.209 122.379 120.400 -0.384 0.000 2.443 400 D HA -0.081 4.557 4.640 -0.003 0.000 0.239 400 D C 0.509 176.624 176.300 -0.307 0.000 1.136 400 D CA 0.096 53.863 54.000 -0.387 0.000 0.879 400 D CB 1.245 41.445 40.800 -1.000 0.000 1.195 400 D HN 0.575 8.945 8.370 -0.000 0.000 0.443 401 S N 0.933 116.538 115.700 -0.158 0.000 2.461 401 S HA -0.166 4.302 4.470 -0.003 0.000 0.228 401 S C 1.725 176.177 174.600 -0.247 0.000 1.005 401 S CA 0.564 58.612 58.200 -0.253 0.000 0.942 401 S CB -0.488 62.571 63.200 -0.235 0.000 0.776 401 S HN 0.593 8.903 8.310 -0.000 0.000 0.514 402 S N 1.302 116.878 115.700 -0.206 0.000 2.660 402 S HA 0.432 4.900 4.470 -0.003 0.000 0.228 402 S C 1.319 175.791 174.600 -0.214 0.000 0.966 402 S CA 0.527 58.627 58.200 -0.166 0.000 0.940 402 S CB -0.865 62.274 63.200 -0.102 0.000 0.773 402 S HN 1.611 9.921 8.310 -0.000 0.000 0.535 403 A N 0.076 122.711 122.820 -0.307 0.000 2.861 403 A HA -0.206 4.112 4.320 -0.003 0.000 0.261 403 A C 1.499 178.911 177.584 -0.287 0.000 1.351 403 A CA 1.032 52.868 52.037 -0.335 0.000 0.904 403 A CB -2.828 16.006 19.000 -0.277 0.000 1.076 403 A HN 0.816 8.966 8.150 -0.000 0.000 0.729 404 S N -0.468 115.057 115.700 -0.292 0.000 2.653 404 S HA 0.256 4.724 4.470 -0.003 0.000 0.233 404 S C 0.885 175.364 174.600 -0.200 0.000 0.970 404 S CA 0.593 58.688 58.200 -0.175 0.000 0.947 404 S CB -0.661 62.534 63.200 -0.007 0.000 0.771 404 S HN 1.339 9.649 8.310 -0.000 0.000 0.538 405 L N 0.422 121.434 121.223 -0.352 0.000 3.601 405 L HA -0.238 4.100 4.340 -0.003 0.000 0.469 405 L C -0.549 176.105 176.870 -0.359 0.000 1.294 405 L CA 0.044 54.675 54.840 -0.349 0.000 0.829 405 L CB -2.241 39.678 42.059 -0.234 0.000 1.628 405 L HN 0.590 8.819 8.230 -0.000 0.000 0.868 406 Y N -2.536 117.515 120.300 -0.415 0.000 2.597 406 Y HA 0.797 5.345 4.550 -0.004 0.000 0.340 406 Y C -0.602 174.997 175.900 -0.500 0.000 1.097 406 Y CA -2.210 55.596 58.100 -0.490 0.000 1.037 406 Y CB 0.802 39.133 38.460 -0.215 0.000 1.305 406 Y HN -0.065 8.215 8.280 -0.000 0.000 0.463 407 F N 2.609 122.654 119.950 0.160 0.000 2.411 407 F HA 0.283 4.809 4.527 -0.001 0.000 0.355 407 F C 0.797 176.655 175.800 0.095 0.000 1.117 407 F CA -0.896 57.051 58.000 -0.088 0.000 1.139 407 F CB 0.998 39.677 39.000 -0.535 0.000 1.120 407 F HN 0.679 8.979 8.300 -0.000 0.000 0.493 408 D N 0.905 121.445 120.400 0.233 0.000 2.327 408 D HA -0.050 4.588 4.640 -0.003 0.000 0.205 408 D C -0.398 175.875 176.300 -0.045 0.000 0.989 408 D CA 0.635 54.753 54.000 0.196 0.000 0.873 408 D CB -0.191 40.766 40.800 0.261 0.000 0.955 408 D HN 0.374 8.744 8.370 -0.000 0.000 0.515 409 Y N -0.640 119.644 120.300 -0.027 0.000 2.354 409 Y HA 0.403 4.951 4.550 -0.003 0.000 0.330 409 Y C -1.005 174.863 175.900 -0.054 0.000 1.011 409 Y CA -1.226 56.865 58.100 -0.015 0.000 1.099 409 Y CB 1.220 39.592 38.460 -0.148 0.000 1.179 409 Y HN -0.223 8.057 8.280 -0.000 0.000 0.442 410 W N 1.504 122.811 121.300 0.012 0.000 2.578 410 W HA 0.745 5.409 4.660 0.006 0.000 0.353 410 W C 0.500 177.032 176.519 0.021 0.000 1.088 410 W CA -0.846 56.464 57.345 -0.058 0.000 1.235 410 W CB 1.177 30.498 29.460 -0.232 0.000 1.362 410 W HN 0.648 8.828 8.180 -0.000 0.000 0.592 411 G N 0.333 109.333 108.800 0.333 0.000 2.568 411 G HA2 0.247 4.205 3.960 -0.003 0.000 0.293 411 G HA3 0.247 4.205 3.960 -0.003 0.000 0.293 411 G C 0.487 175.598 174.900 0.351 0.000 1.347 411 G CA -0.393 44.876 45.100 0.282 0.000 1.039 411 G HN 0.491 8.781 8.290 -0.000 0.000 0.523 412 Q N -0.470 119.499 119.800 0.283 0.000 2.311 412 Q HA 0.233 4.571 4.340 -0.003 0.000 0.203 412 Q C 0.902 177.094 176.000 0.319 0.000 0.954 412 Q CA 1.209 57.178 55.803 0.278 0.000 0.885 412 Q CB -0.421 28.415 28.738 0.164 0.000 0.963 412 Q HN 1.845 10.116 8.270 -0.000 0.000 0.471 413 G N 1.326 110.293 108.800 0.279 0.000 2.722 413 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.686 413 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.686 413 G C -0.399 174.541 174.900 0.068 0.000 1.282 413 G CA -0.138 45.016 45.100 0.091 0.000 0.817 413 G HN 0.510 8.800 8.290 -0.000 0.000 0.605 414 T N 0.176 114.805 114.554 0.126 0.000 2.907 414 T HA 0.734 5.082 4.350 -0.003 0.000 0.284 414 T C 0.567 175.327 174.700 0.100 0.000 1.004 414 T CA -0.096 62.069 62.100 0.109 0.000 1.063 414 T CB 1.895 70.839 68.868 0.126 0.000 0.992 414 T HN 0.808 9.048 8.240 -0.000 0.000 0.483 415 T N 2.496 117.092 114.554 0.071 0.000 2.913 415 T HA 0.589 4.937 4.350 -0.003 0.000 0.287 415 T C -0.661 174.093 174.700 0.091 0.000 1.008 415 T CA -0.607 61.542 62.100 0.082 0.000 1.067 415 T CB 0.773 69.669 68.868 0.048 0.000 0.996 415 T HN 0.575 8.815 8.240 -0.000 0.000 0.513 416 L N 2.077 123.376 121.223 0.128 0.000 2.505 416 L HA 0.585 4.923 4.340 -0.003 0.000 0.266 416 L C -1.002 175.943 176.870 0.124 0.000 0.954 416 L CA -0.083 54.811 54.840 0.091 0.000 0.852 416 L CB 2.231 44.310 42.059 0.033 0.000 1.282 416 L HN 0.633 8.863 8.230 -0.000 0.000 0.403 417 T N 4.261 118.878 114.554 0.106 0.000 2.840 417 T HA 0.592 4.940 4.350 -0.003 0.000 0.287 417 T C -0.962 173.814 174.700 0.127 0.000 0.991 417 T CA -0.407 61.778 62.100 0.141 0.000 0.964 417 T CB 1.640 70.611 68.868 0.172 0.000 0.954 417 T HN 0.322 8.562 8.240 -0.000 0.000 0.438 418 V N 3.271 123.255 119.914 0.117 0.000 2.311 418 V HA 0.719 4.837 4.120 -0.003 0.000 0.275 418 V C 0.050 176.187 176.094 0.071 0.000 1.022 418 V CA -0.367 61.980 62.300 0.078 0.000 0.830 418 V CB 0.959 32.814 31.823 0.054 0.000 1.012 418 V HN 0.905 9.095 8.190 -0.000 0.000 0.452 419 S N 2.771 118.510 115.700 0.065 0.000 2.533 419 S HA 0.432 4.900 4.470 -0.003 0.000 0.271 419 S C 0.624 175.173 174.600 -0.085 0.000 1.143 419 S CA -0.346 57.839 58.200 -0.026 0.000 0.891 419 S CB 2.360 65.562 63.200 0.003 0.000 1.105 419 S HN 0.556 8.866 8.310 -0.000 0.000 0.468 420 S N 2.041 117.646 115.700 -0.159 0.000 2.524 420 S HA 0.329 4.797 4.470 -0.003 0.000 0.216 420 S C 0.965 175.405 174.600 -0.267 0.000 0.987 420 S CA 0.278 58.387 58.200 -0.153 0.000 0.909 420 S CB -0.149 62.984 63.200 -0.110 0.000 0.781 420 S HN 1.059 9.369 8.310 -0.000 0.000 0.521 421 A N 2.512 125.018 122.820 -0.524 0.000 2.624 421 A HA 0.020 4.338 4.320 -0.003 0.000 0.231 421 A C 0.386 177.663 177.584 -0.512 0.000 1.034 421 A CA 0.618 52.179 52.037 -0.792 0.000 0.754 421 A CB 0.082 17.935 19.000 -1.911 0.000 0.953 421 A HN 0.413 8.563 8.150 -0.000 0.000 0.509 422 K N 1.018 121.285 120.400 -0.222 0.000 2.123 422 K HA 0.396 4.714 4.320 -0.003 0.000 0.248 422 K C -0.259 176.464 176.600 0.204 0.000 0.969 422 K CA -0.578 55.723 56.287 0.023 0.000 0.882 422 K CB 1.228 33.737 32.500 0.015 0.000 1.080 422 K HN 0.623 8.873 8.250 -0.000 0.000 0.441 423 T N 2.670 117.395 114.554 0.285 0.000 2.734 423 T HA 0.009 4.357 4.350 -0.003 0.000 0.269 423 T C -0.290 174.564 174.700 0.257 0.000 0.964 423 T CA 0.490 62.787 62.100 0.329 0.000 1.226 423 T CB -0.427 68.571 68.868 0.218 0.000 0.910 423 T HN 0.392 8.632 8.240 -0.000 0.000 0.534 424 T N 7.322 122.060 114.554 0.307 0.000 2.797 424 T HA 0.479 4.827 4.350 -0.003 0.000 0.279 424 T C -2.382 172.454 174.700 0.228 0.000 0.991 424 T CA -1.548 60.680 62.100 0.214 0.000 0.979 424 T CB 1.675 70.642 68.868 0.166 0.000 0.943 424 T HN 0.241 8.481 8.240 -0.000 0.000 0.444 425 P HA 0.424 4.844 4.420 -0.000 0.000 0.276 425 P C -2.794 174.521 177.300 0.026 0.000 1.244 425 P CA -1.965 61.201 63.100 0.109 0.000 0.801 425 P CB -0.166 31.598 31.700 0.106 0.000 1.006 426 P HA 0.280 4.700 4.420 -0.000 0.000 0.281 426 P C -0.749 176.496 177.300 -0.091 0.000 1.264 426 P CA -0.507 62.575 63.100 -0.030 0.000 0.824 426 P CB 0.701 32.306 31.700 -0.158 0.000 1.092 427 S N -0.049 115.578 115.700 -0.121 0.000 2.442 427 S HA 0.425 4.893 4.470 -0.003 0.000 0.297 427 S C -0.169 174.104 174.600 -0.545 0.000 1.131 427 S CA -0.582 57.426 58.200 -0.320 0.000 1.092 427 S CB 0.504 63.531 63.200 -0.288 0.000 0.998 427 S HN 0.138 8.448 8.310 -0.000 0.000 0.478 428 V N 4.297 123.869 119.914 -0.569 0.000 2.472 428 V HA 0.499 4.617 4.120 -0.003 0.000 0.290 428 V C -1.227 174.508 176.094 -0.598 0.000 1.037 428 V CA -0.586 61.435 62.300 -0.464 0.000 0.908 428 V CB 0.447 32.123 31.823 -0.245 0.000 0.985 428 V HN 0.782 8.972 8.190 -0.000 0.000 0.454 429 Y N 4.152 124.464 120.300 0.020 0.000 2.442 429 Y HA 0.567 5.115 4.550 -0.003 0.000 0.344 429 Y C -2.526 173.400 175.900 0.045 0.000 0.976 429 Y CA -2.912 55.208 58.100 0.032 0.000 1.040 429 Y CB 2.051 40.532 38.460 0.035 0.000 1.228 429 Y HN 0.445 8.725 8.280 -0.000 0.000 0.451 430 P HA 0.377 4.797 4.420 -0.000 0.000 0.274 430 P C -0.974 176.418 177.300 0.152 0.000 1.246 430 P CA -0.307 62.891 63.100 0.164 0.000 0.795 430 P CB 0.834 32.626 31.700 0.152 0.000 1.006 431 L N 0.652 121.947 121.223 0.121 0.000 2.529 431 L HA 0.545 4.883 4.340 -0.003 0.000 0.258 431 L C -0.079 176.810 176.870 0.031 0.000 1.032 431 L CA -0.729 54.159 54.840 0.080 0.000 0.899 431 L CB 1.245 43.351 42.059 0.078 0.000 1.174 431 L HN 0.328 8.558 8.230 -0.000 0.000 0.458 432 A N 3.583 126.440 122.820 0.062 0.000 2.302 432 A HA 0.724 5.042 4.320 -0.003 0.000 0.285 432 A C -1.377 176.240 177.584 0.056 0.000 1.105 432 A CA -1.084 50.997 52.037 0.073 0.000 0.816 432 A CB 0.332 19.462 19.000 0.216 0.000 1.067 432 A HN 0.543 8.693 8.150 -0.000 0.000 0.489 433 P HA 0.011 4.431 4.420 -0.000 0.000 0.220 433 P C 1.348 178.691 177.300 0.071 0.000 1.152 433 P CA 1.538 64.667 63.100 0.048 0.000 0.812 433 P CB 0.030 31.765 31.700 0.058 0.000 0.792 434 G N 0.883 109.750 108.800 0.111 0.000 5.001 434 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.306 434 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.306 434 G C 0.501 175.444 174.900 0.071 0.000 1.491 434 G CA 1.162 46.315 45.100 0.088 0.000 1.324 434 G HN 0.675 8.965 8.290 -0.000 0.000 0.829 435 S N 1.182 116.913 115.700 0.051 0.000 2.416 435 S HA 0.647 5.115 4.470 -0.003 0.000 0.302 435 S C 1.546 176.172 174.600 0.043 0.000 1.120 435 S CA 0.832 59.055 58.200 0.039 0.000 1.067 435 S CB 0.998 64.213 63.200 0.024 0.000 1.057 435 S HN 2.325 10.635 8.310 -0.000 0.000 0.518 436 A N 4.140 126.989 122.820 0.049 0.000 1.336 436 A HA -0.273 4.045 4.320 -0.003 0.000 0.391 436 A C 1.841 179.458 177.584 0.055 0.000 5.421 436 A CA 3.278 55.346 52.037 0.051 0.000 1.090 436 A CB -2.168 16.852 19.000 0.034 0.000 1.423 436 A HN 2.736 10.886 8.150 -0.000 0.000 0.710 437 A N -2.617 120.223 122.820 0.033 0.000 2.899 437 A HA -0.054 4.264 4.320 -0.003 0.000 0.257 437 A C 0.744 178.337 177.584 0.014 0.000 1.335 437 A CA 2.160 54.207 52.037 0.016 0.000 0.924 437 A CB -2.020 16.987 19.000 0.011 0.000 1.105 437 A HN 2.669 10.819 8.150 -0.000 0.000 0.765 438 Q N -2.421 117.392 119.800 0.021 0.000 2.272 438 Q HA -0.139 4.199 4.340 -0.003 0.000 0.307 438 Q C 0.068 176.085 176.000 0.029 0.000 1.223 438 Q CA 0.882 56.696 55.803 0.019 0.000 0.696 438 Q CB -1.711 27.033 28.738 0.009 0.000 0.943 438 Q HN 1.032 9.302 8.270 -0.000 0.000 0.330 439 T N 1.942 116.517 114.554 0.035 0.000 3.745 439 T HA -0.036 4.312 4.350 -0.003 0.000 0.253 439 T C 1.193 175.912 174.700 0.032 0.000 1.088 439 T CA 0.815 62.940 62.100 0.043 0.000 0.969 439 T CB -0.543 68.351 68.868 0.043 0.000 1.075 439 T HN 0.538 8.778 8.240 -0.000 0.000 0.608 440 N N 0.727 119.443 118.700 0.026 0.000 2.085 440 N HA -0.114 4.624 4.740 -0.003 0.000 0.191 440 N C 1.256 176.778 175.510 0.021 0.000 1.058 440 N CA 1.462 54.523 53.050 0.019 0.000 0.849 440 N CB 0.285 38.780 38.487 0.014 0.000 1.038 440 N HN 0.312 8.692 8.380 -0.000 0.000 0.434 441 S N -1.576 114.137 115.700 0.021 0.000 2.660 441 S HA 0.248 4.716 4.470 -0.003 0.000 0.262 441 S C -0.136 174.477 174.600 0.022 0.000 1.006 441 S CA -0.487 57.726 58.200 0.021 0.000 1.174 441 S CB 0.654 63.862 63.200 0.013 0.000 0.939 441 S HN 0.123 8.433 8.310 -0.000 0.000 0.438 442 M N 2.327 121.934 119.600 0.013 0.000 2.342 442 M HA 0.700 5.178 4.480 -0.003 0.000 0.332 442 M C -0.441 175.863 176.300 0.006 0.000 1.166 442 M CA -0.992 54.308 55.300 0.001 0.000 1.086 442 M CB 1.206 33.800 32.600 -0.010 0.000 1.541 442 M HN 0.133 8.423 8.290 -0.000 0.000 0.462 443 V N 1.842 121.747 119.914 -0.015 0.000 2.697 443 V HA 0.468 4.586 4.120 -0.003 0.000 0.300 443 V C -0.959 175.067 176.094 -0.112 0.000 1.115 443 V CA -0.244 62.044 62.300 -0.020 0.000 0.912 443 V CB 2.148 34.006 31.823 0.059 0.000 1.024 443 V HN 0.966 9.156 8.190 -0.000 0.000 0.431 444 T N 8.280 122.763 114.554 -0.119 0.000 2.845 444 T HA 0.728 5.076 4.350 -0.003 0.000 0.288 444 T C -0.324 174.235 174.700 -0.235 0.000 0.980 444 T CA -0.163 61.836 62.100 -0.170 0.000 1.071 444 T CB 1.044 69.851 68.868 -0.103 0.000 0.941 444 T HN 0.585 8.825 8.240 -0.000 0.000 0.487 445 L N 1.225 122.264 121.223 -0.306 0.000 2.309 445 L HA 0.930 5.268 4.340 -0.003 0.000 0.261 445 L C 0.491 177.271 176.870 -0.149 0.000 1.021 445 L CA -1.063 53.605 54.840 -0.285 0.000 0.823 445 L CB 2.320 44.102 42.059 -0.462 0.000 1.366 445 L HN 0.811 9.041 8.230 -0.000 0.000 0.423 446 G N -0.827 107.991 108.800 0.030 0.000 2.727 446 G HA2 0.614 4.572 3.960 -0.003 0.000 0.289 446 G HA3 0.614 4.572 3.960 -0.003 0.000 0.289 446 G C -2.200 172.890 174.900 0.317 0.000 1.418 446 G CA -0.368 44.860 45.100 0.214 0.000 0.818 446 G HN 0.575 8.865 8.290 -0.000 0.000 0.486 447 c N 0.546 119.354 118.600 0.346 0.000 2.481 447 c HA 0.640 5.208 4.570 -0.003 0.000 0.324 447 c C -0.582 173.611 174.090 0.170 0.000 1.170 447 c CA -0.738 55.715 56.329 0.207 0.000 1.361 447 c CB 0.872 43.427 42.510 0.074 0.000 1.977 447 c HN 0.689 8.919 8.230 -0.000 0.000 0.459 448 L N 6.166 127.484 121.223 0.157 0.000 2.277 448 L HA 0.587 4.925 4.340 -0.003 0.000 0.284 448 L C -0.801 176.133 176.870 0.108 0.000 1.028 448 L CA 0.090 55.028 54.840 0.164 0.000 0.835 448 L CB 1.102 43.290 42.059 0.215 0.000 1.215 448 L HN 0.483 8.713 8.230 -0.000 0.000 0.425 449 V N 6.460 126.421 119.914 0.079 0.000 2.353 449 V HA 0.360 4.478 4.120 -0.003 0.000 0.264 449 V C 0.288 176.461 176.094 0.132 0.000 1.049 449 V CA -0.427 61.881 62.300 0.013 0.000 0.896 449 V CB 1.186 32.979 31.823 -0.050 0.000 1.025 449 V HN 0.675 8.865 8.190 -0.000 0.000 0.475 450 K N 3.452 123.917 120.400 0.109 0.000 2.318 450 K HA 0.620 4.938 4.320 -0.003 0.000 0.249 450 K C 0.514 177.231 176.600 0.196 0.000 0.942 450 K CA -0.134 56.265 56.287 0.187 0.000 0.808 450 K CB 1.855 34.475 32.500 0.200 0.000 1.189 450 K HN 0.892 9.142 8.250 -0.000 0.000 0.428 451 G N 3.934 112.828 108.800 0.156 0.000 2.296 451 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.263 451 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.263 451 G C -0.879 174.077 174.900 0.094 0.000 0.887 451 G CA 1.170 46.308 45.100 0.063 0.000 1.318 451 G HN 0.619 8.909 8.290 -0.000 0.000 0.403 452 Y N -0.795 119.534 120.300 0.048 0.000 2.609 452 Y HA 0.883 5.425 4.550 -0.013 0.000 0.342 452 Y C -0.736 175.302 175.900 0.229 0.000 1.058 452 Y CA -3.283 54.810 58.100 -0.011 0.000 1.055 452 Y CB 1.438 39.690 38.460 -0.346 0.000 1.292 452 Y HN 0.700 8.980 8.280 -0.000 0.000 0.476 453 F N 2.697 122.750 119.950 0.171 0.000 2.669 453 F HA 0.663 5.192 4.527 0.003 0.000 0.315 453 F C -3.130 172.909 175.800 0.399 0.000 1.109 453 F CA -1.952 56.212 58.000 0.272 0.000 1.028 453 F CB 2.205 41.264 39.000 0.098 0.000 1.287 453 F HN 0.467 8.767 8.300 -0.000 0.000 0.452 454 P HA 0.237 4.657 4.420 -0.000 0.000 0.297 454 P C -1.006 176.272 177.300 -0.037 0.000 1.307 454 P CA -0.187 62.394 63.100 -0.865 0.000 0.773 454 P CB 0.882 32.077 31.700 -0.842 0.000 1.265 455 E N 0.568 120.615 120.200 -0.255 0.000 2.408 455 E HA 0.240 4.588 4.350 -0.003 0.000 0.259 455 E C -1.899 174.656 176.600 -0.075 0.000 1.110 455 E CA -1.122 55.154 56.400 -0.206 0.000 0.929 455 E CB -0.449 28.931 29.700 -0.533 0.000 0.971 455 E HN 0.329 8.689 8.360 -0.000 0.000 0.438 456 P HA 0.398 4.818 4.420 -0.000 0.000 0.291 456 P C -1.298 176.032 177.300 0.050 0.000 1.304 456 P CA -0.632 62.469 63.100 0.003 0.000 0.929 456 P CB 1.560 33.231 31.700 -0.048 0.000 1.317 457 V N -0.662 119.229 119.914 -0.038 0.000 3.074 457 V HA 0.610 4.728 4.120 -0.003 0.000 0.314 457 V C -0.182 175.847 176.094 -0.107 0.000 1.117 457 V CA -0.295 61.920 62.300 -0.141 0.000 1.014 457 V CB 2.295 33.851 31.823 -0.446 0.000 1.057 457 V HN 0.668 8.858 8.190 -0.000 0.000 0.438 458 T N 1.886 116.369 114.554 -0.117 0.000 2.893 458 T HA 0.641 4.989 4.350 -0.003 0.000 0.293 458 T C -1.209 173.411 174.700 -0.132 0.000 1.027 458 T CA -0.426 61.615 62.100 -0.098 0.000 0.988 458 T CB 1.726 70.544 68.868 -0.082 0.000 1.043 458 T HN 0.750 8.990 8.240 -0.000 0.000 0.461 459 V N 2.708 122.544 119.914 -0.131 0.000 2.760 459 V HA 0.953 5.071 4.120 -0.003 0.000 0.309 459 V C -0.971 174.997 176.094 -0.211 0.000 1.077 459 V CA -0.327 61.843 62.300 -0.217 0.000 0.910 459 V CB 1.989 33.656 31.823 -0.261 0.000 1.008 459 V HN 1.141 9.331 8.190 -0.000 0.000 0.424 460 T N 2.528 116.896 114.554 -0.309 0.000 2.900 460 T HA 0.577 4.925 4.350 -0.003 0.000 0.303 460 T C -1.150 173.335 174.700 -0.359 0.000 1.142 460 T CA -0.539 61.449 62.100 -0.187 0.000 1.007 460 T CB 1.905 70.720 68.868 -0.088 0.000 1.156 460 T HN 0.810 9.050 8.240 -0.000 0.000 0.490 461 W N 1.897 123.183 121.300 -0.023 0.000 2.433 461 W HA 0.349 5.002 4.660 -0.012 0.000 0.315 461 W C -0.041 176.472 176.519 -0.011 0.000 1.087 461 W CA -0.297 57.037 57.345 -0.018 0.000 1.205 461 W CB 0.810 30.255 29.460 -0.025 0.000 1.288 461 W HN 0.907 9.087 8.180 -0.000 0.000 0.504 462 N N 1.883 120.674 118.700 0.151 0.000 2.705 462 N HA -0.235 4.503 4.740 -0.003 0.000 0.255 462 N C 0.459 176.005 175.510 0.061 0.000 1.008 462 N CA 1.655 54.772 53.050 0.112 0.000 0.742 462 N CB -1.408 37.169 38.487 0.149 0.000 0.906 462 N HN 0.445 8.825 8.380 -0.000 0.000 0.541 463 S N -2.962 112.745 115.700 0.012 0.000 3.319 463 S HA -0.213 4.255 4.470 -0.003 0.000 0.319 463 S C 1.405 176.010 174.600 0.008 0.000 1.236 463 S CA 2.020 60.218 58.200 -0.004 0.000 0.964 463 S CB -1.480 61.721 63.200 0.001 0.000 1.040 463 S HN 1.689 9.999 8.310 -0.000 0.000 0.620 464 G N -0.903 107.917 108.800 0.034 0.000 2.195 464 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.224 464 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.224 464 G C 0.741 175.670 174.900 0.048 0.000 0.990 464 G CA 0.582 45.706 45.100 0.039 0.000 0.639 464 G HN 0.832 9.122 8.290 -0.000 0.000 0.514 465 S N -0.268 115.465 115.700 0.055 0.000 2.423 465 S HA 0.177 4.645 4.470 -0.003 0.000 0.231 465 S C 1.068 175.705 174.600 0.061 0.000 1.014 465 S CA 0.517 58.748 58.200 0.051 0.000 0.965 465 S CB 0.022 63.253 63.200 0.053 0.000 0.785 465 S HN 0.466 8.776 8.310 -0.000 0.000 0.495 466 L N 1.861 123.145 121.223 0.101 0.000 2.259 466 L HA 0.297 4.635 4.340 -0.003 0.000 0.288 466 L C 0.366 177.292 176.870 0.093 0.000 1.051 466 L CA -0.300 54.601 54.840 0.102 0.000 0.824 466 L CB 1.303 43.472 42.059 0.184 0.000 1.206 466 L HN 0.123 8.353 8.230 -0.000 0.000 0.429 467 S N -0.497 115.221 115.700 0.030 0.000 2.613 467 S HA 0.109 4.577 4.470 -0.003 0.000 0.235 467 S C 0.669 175.243 174.600 -0.043 0.000 1.073 467 S CA -0.290 57.914 58.200 0.007 0.000 0.899 467 S CB 0.694 63.894 63.200 -0.000 0.000 0.818 467 S HN 0.517 8.827 8.310 -0.000 0.000 0.484 468 S N 0.967 116.633 115.700 -0.056 0.000 2.545 468 S HA 0.517 4.985 4.470 -0.003 0.000 0.275 468 S C 1.214 175.737 174.600 -0.130 0.000 1.299 468 S CA 0.209 58.357 58.200 -0.086 0.000 1.048 468 S CB 0.999 64.162 63.200 -0.060 0.000 0.938 468 S HN 0.731 9.041 8.310 -0.000 0.000 0.496 469 G N 1.156 109.856 108.800 -0.166 0.000 2.184 469 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.264 469 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.264 469 G C 0.147 174.890 174.900 -0.261 0.000 0.975 469 G CA 0.216 45.207 45.100 -0.182 0.000 0.642 469 G HN 1.145 9.435 8.290 -0.000 0.000 0.536 470 V N 1.543 121.282 119.914 -0.291 0.000 2.368 470 V HA 0.735 4.853 4.120 -0.003 0.000 0.266 470 V C 0.338 176.244 176.094 -0.314 0.000 1.045 470 V CA -0.802 61.340 62.300 -0.264 0.000 0.899 470 V CB 0.198 31.958 31.823 -0.105 0.000 1.006 470 V HN 0.361 8.551 8.190 -0.000 0.000 0.470 471 H N 3.399 122.399 119.070 -0.117 0.000 2.544 471 H HA 0.774 5.325 4.556 -0.009 0.000 0.342 471 H C -0.159 175.089 175.328 -0.135 0.000 1.185 471 H CA -0.407 55.525 56.048 -0.193 0.000 1.264 471 H CB 1.935 31.494 29.762 -0.338 0.000 1.607 471 H HN 0.662 8.942 8.280 -0.000 0.000 0.550 472 T N 2.447 116.918 114.554 -0.138 0.000 3.355 472 T HA 0.210 4.558 4.350 -0.003 0.000 0.324 472 T C -1.018 173.576 174.700 -0.176 0.000 0.932 472 T CA -0.725 61.355 62.100 -0.033 0.000 1.032 472 T CB -0.089 68.813 68.868 0.057 0.000 1.027 472 T HN 0.244 8.484 8.240 -0.000 0.000 0.456 473 F N 4.634 124.655 119.950 0.119 0.000 2.529 473 F HA 0.331 4.862 4.527 0.006 0.000 0.365 473 F C -1.361 174.490 175.800 0.084 0.000 1.102 473 F CA -1.993 56.062 58.000 0.091 0.000 1.271 473 F CB 0.007 39.055 39.000 0.079 0.000 1.120 473 F HN 0.288 8.588 8.300 -0.000 0.000 0.579 474 P HA 0.089 4.509 4.420 -0.000 0.000 0.266 474 P C -0.586 176.821 177.300 0.179 0.000 1.193 474 P CA -0.328 62.854 63.100 0.137 0.000 0.770 474 P CB 0.462 32.225 31.700 0.105 0.000 0.836 475 A N 2.217 125.128 122.820 0.151 0.000 2.327 475 A HA 0.556 4.874 4.320 -0.003 0.000 0.255 475 A C -0.204 177.509 177.584 0.215 0.000 1.099 475 A CA -0.171 51.983 52.037 0.194 0.000 0.801 475 A CB 0.201 19.298 19.000 0.162 0.000 1.062 475 A HN 0.403 8.553 8.150 -0.000 0.000 0.496 476 V N 0.245 120.312 119.914 0.255 0.000 3.120 476 V HA 0.265 4.383 4.120 -0.003 0.000 0.303 476 V C -0.551 175.624 176.094 0.136 0.000 1.238 476 V CA -0.617 61.797 62.300 0.190 0.000 1.008 476 V CB 1.913 33.806 31.823 0.117 0.000 1.064 476 V HN 0.782 8.972 8.190 -0.000 0.000 0.434 477 L N 2.623 123.865 121.223 0.031 0.000 2.385 477 L HA 0.369 4.707 4.340 -0.003 0.000 0.281 477 L C 0.331 177.152 176.870 -0.081 0.000 1.106 477 L CA 0.266 55.032 54.840 -0.123 0.000 0.856 477 L CB 0.770 42.747 42.059 -0.136 0.000 1.186 477 L HN 0.763 8.993 8.230 -0.000 0.000 0.453 478 Q N 3.964 123.703 119.800 -0.103 0.000 2.655 478 Q HA 0.255 4.593 4.340 -0.003 0.000 0.228 478 Q C 0.463 176.409 176.000 -0.090 0.000 1.186 478 Q CA 0.358 56.124 55.803 -0.062 0.000 1.004 478 Q CB 0.496 29.216 28.738 -0.030 0.000 1.242 478 Q HN 0.893 9.163 8.270 -0.000 0.000 0.558 479 S N 2.013 117.662 115.700 -0.086 0.000 4.080 479 S HA -0.235 4.233 4.470 -0.003 0.000 0.627 479 S C 0.404 174.917 174.600 -0.145 0.000 1.977 479 S CA 0.901 59.044 58.200 -0.095 0.000 4.141 479 S CB -1.505 61.645 63.200 -0.085 0.000 0.213 479 S HN 0.792 9.102 8.310 -0.000 0.000 0.596 480 D N 2.439 122.734 120.400 -0.175 0.000 2.342 480 D HA 0.504 5.142 4.640 -0.003 0.000 0.221 480 D C 0.120 176.220 176.300 -0.334 0.000 1.101 480 D CA 0.014 53.867 54.000 -0.244 0.000 0.837 480 D CB -0.240 40.412 40.800 -0.247 0.000 0.938 480 D HN 0.429 8.799 8.370 -0.000 0.000 0.508 481 L N 0.314 121.351 121.223 -0.309 0.000 2.388 481 L HA 0.385 4.723 4.340 -0.003 0.000 0.264 481 L C -0.763 175.858 176.870 -0.415 0.000 0.998 481 L CA -1.436 53.206 54.840 -0.330 0.000 0.817 481 L CB 1.392 43.352 42.059 -0.165 0.000 1.338 481 L HN -0.138 8.092 8.230 -0.000 0.000 0.414 482 Y N 0.155 120.276 120.300 -0.297 0.000 2.336 482 Y HA 0.552 5.111 4.550 0.015 0.000 0.331 482 Y C 0.653 176.368 175.900 -0.307 0.000 1.211 482 Y CA 0.003 57.849 58.100 -0.422 0.000 1.346 482 Y CB 0.933 38.915 38.460 -0.797 0.000 1.271 482 Y HN 0.462 8.742 8.280 -0.000 0.000 0.538 483 T N 4.631 119.259 114.554 0.124 0.000 2.912 483 T HA 0.675 5.023 4.350 -0.003 0.000 0.299 483 T C -1.394 173.456 174.700 0.249 0.000 1.052 483 T CA -0.776 61.443 62.100 0.198 0.000 0.996 483 T CB 1.463 70.403 68.868 0.120 0.000 1.070 483 T HN 0.616 8.856 8.240 -0.000 0.000 0.465 484 L N 0.899 122.280 121.223 0.265 0.000 2.540 484 L HA 0.839 5.177 4.340 -0.003 0.000 0.256 484 L C -1.407 175.588 176.870 0.209 0.000 1.001 484 L CA -0.452 54.532 54.840 0.240 0.000 0.843 484 L CB 2.132 44.345 42.059 0.256 0.000 1.436 484 L HN 0.732 8.962 8.230 -0.000 0.000 0.410 485 S N 0.824 116.681 115.700 0.262 0.000 2.671 485 S HA 0.820 5.288 4.470 -0.003 0.000 0.299 485 S C -1.209 173.629 174.600 0.397 0.000 1.116 485 S CA -0.640 57.729 58.200 0.281 0.000 0.912 485 S CB 1.842 65.174 63.200 0.220 0.000 1.130 485 S HN 0.653 8.963 8.310 -0.000 0.000 0.501 486 S N 0.809 116.770 115.700 0.434 0.000 2.533 486 S HA 0.720 5.188 4.470 -0.003 0.000 0.271 486 S C -1.332 173.640 174.600 0.619 0.000 1.143 486 S CA -0.519 58.017 58.200 0.560 0.000 0.891 486 S CB 1.211 64.749 63.200 0.563 0.000 1.105 486 S HN 0.973 9.283 8.310 -0.000 0.000 0.468 487 S N 2.543 118.456 115.700 0.355 0.000 2.570 487 S HA 0.885 5.353 4.470 -0.003 0.000 0.286 487 S C -1.220 173.113 174.600 -0.445 0.000 1.099 487 S CA -0.655 57.551 58.200 0.010 0.000 0.913 487 S CB 1.637 64.937 63.200 0.166 0.000 1.085 487 S HN 1.133 9.443 8.310 -0.000 0.000 0.480 488 V N 1.523 121.029 119.914 -0.679 0.000 2.925 488 V HA 0.830 4.948 4.120 -0.003 0.000 0.311 488 V C -1.173 174.669 176.094 -0.420 0.000 1.104 488 V CA -0.119 61.730 62.300 -0.752 0.000 0.954 488 V CB 2.377 33.349 31.823 -1.418 0.000 1.022 488 V HN 1.172 9.362 8.190 -0.000 0.000 0.427 489 T N 5.010 119.390 114.554 -0.291 0.000 2.861 489 T HA 0.750 5.098 4.350 -0.003 0.000 0.287 489 T C -0.813 173.791 174.700 -0.160 0.000 1.003 489 T CA -0.306 61.686 62.100 -0.181 0.000 0.977 489 T CB 1.454 70.268 68.868 -0.090 0.000 0.996 489 T HN 1.289 9.529 8.240 -0.000 0.000 0.448 490 V N 0.663 120.502 119.914 -0.124 0.000 3.147 490 V HA 0.833 4.951 4.120 -0.003 0.000 0.306 490 V C -3.241 172.844 176.094 -0.015 0.000 1.209 490 V CA -3.262 58.994 62.300 -0.072 0.000 1.023 490 V CB 1.973 33.750 31.823 -0.077 0.000 1.059 490 V HN 0.543 8.733 8.190 -0.000 0.000 0.435 491 P HA 0.314 4.734 4.420 -0.000 0.000 0.271 491 P C 0.793 178.135 177.300 0.070 0.000 1.216 491 P CA 0.221 63.340 63.100 0.031 0.000 0.776 491 P CB 1.056 32.773 31.700 0.027 0.000 0.881 492 S N 1.770 117.512 115.700 0.069 0.000 2.387 492 S HA -0.193 4.275 4.470 -0.003 0.000 0.230 492 S C 1.942 176.600 174.600 0.097 0.000 1.035 492 S CA 2.051 60.310 58.200 0.099 0.000 1.014 492 S CB -0.913 62.329 63.200 0.069 0.000 0.836 492 S HN 0.733 9.043 8.310 -0.000 0.000 0.466 493 S N 1.619 117.358 115.700 0.065 0.000 2.368 493 S HA -0.152 4.316 4.470 -0.003 0.000 0.225 493 S C 1.860 176.500 174.600 0.067 0.000 1.030 493 S CA 1.677 59.906 58.200 0.048 0.000 0.999 493 S CB -1.294 61.926 63.200 0.034 0.000 0.844 493 S HN 0.500 8.810 8.310 -0.000 0.000 0.459 494 T N -0.389 114.221 114.554 0.093 0.000 2.778 494 T HA -0.059 4.289 4.350 -0.003 0.000 0.269 494 T C 0.108 174.937 174.700 0.215 0.000 1.050 494 T CA 1.409 63.583 62.100 0.125 0.000 1.137 494 T CB -0.363 68.576 68.868 0.118 0.000 0.860 494 T HN 0.754 8.994 8.240 -0.000 0.000 0.468 495 W N 0.906 122.209 121.300 0.005 0.000 3.296 495 W HA 0.395 5.056 4.660 0.001 0.000 0.314 495 W C -2.536 173.988 176.519 0.010 0.000 1.238 495 W CA -1.920 55.431 57.345 0.011 0.000 1.193 495 W CB 1.383 30.850 29.460 0.011 0.000 1.383 495 W HN -0.307 7.873 8.180 -0.000 0.000 0.545 496 P HA -0.072 4.348 4.420 -0.000 0.000 0.237 496 P C 1.156 178.124 177.300 -0.553 0.000 1.178 496 P CA 1.232 63.474 63.100 -1.431 0.000 0.766 496 P CB 0.315 31.209 31.700 -1.342 0.000 0.876 497 S N 0.238 115.798 115.700 -0.234 0.000 2.381 497 S HA -0.186 4.282 4.470 -0.003 0.000 0.230 497 S C 0.891 175.463 174.600 -0.046 0.000 1.052 497 S CA 1.442 59.579 58.200 -0.105 0.000 1.068 497 S CB -0.449 62.731 63.200 -0.034 0.000 0.918 497 S HN 0.454 8.764 8.310 -0.000 0.000 0.448 498 E N 0.039 120.259 120.200 0.034 0.000 2.235 498 E HA 0.405 4.753 4.350 -0.003 0.000 0.265 498 E C -0.613 176.091 176.600 0.173 0.000 0.940 498 E CA -0.491 55.960 56.400 0.085 0.000 0.819 498 E CB 1.146 30.902 29.700 0.092 0.000 1.206 498 E HN -0.043 8.317 8.360 -0.000 0.000 0.409 499 T N 0.953 115.597 114.554 0.151 0.000 2.926 499 T HA 0.239 4.587 4.350 -0.003 0.000 0.307 499 T C -0.467 174.385 174.700 0.255 0.000 1.059 499 T CA -0.109 62.112 62.100 0.201 0.000 1.122 499 T CB 0.364 69.312 68.868 0.132 0.000 0.972 499 T HN 0.119 8.359 8.240 -0.000 0.000 0.545 500 V N 3.033 123.126 119.914 0.300 0.000 2.655 500 V HA 0.473 4.591 4.120 -0.003 0.000 0.301 500 V C -0.368 175.894 176.094 0.280 0.000 1.082 500 V CA -0.847 61.619 62.300 0.278 0.000 0.899 500 V CB 2.319 34.241 31.823 0.166 0.000 1.014 500 V HN 1.016 9.206 8.190 -0.000 0.000 0.429 501 T N 2.906 117.617 114.554 0.260 0.000 2.916 501 T HA 0.418 4.766 4.350 -0.003 0.000 0.298 501 T C -0.414 174.204 174.700 -0.136 0.000 1.031 501 T CA -0.505 61.656 62.100 0.100 0.000 0.993 501 T CB 1.598 70.496 68.868 0.051 0.000 1.045 501 T HN 0.991 9.231 8.240 -0.000 0.000 0.454 502 c N 3.188 121.585 118.600 -0.338 0.000 2.319 502 c HA 0.739 5.307 4.570 -0.003 0.000 0.335 502 c C -0.122 173.700 174.090 -0.447 0.000 1.274 502 c CA -0.946 54.900 56.329 -0.805 0.000 1.806 502 c CB -1.226 40.727 42.510 -0.928 0.000 2.329 502 c HN 0.880 9.110 8.230 -0.000 0.000 0.524 503 N N 2.360 120.797 118.700 -0.438 0.000 2.421 503 N HA 0.697 5.435 4.740 -0.003 0.000 0.285 503 N C -0.971 174.382 175.510 -0.263 0.000 1.027 503 N CA -0.464 52.429 53.050 -0.262 0.000 0.918 503 N CB 1.872 40.241 38.487 -0.196 0.000 1.152 503 N HN 0.675 9.055 8.380 -0.000 0.000 0.485 504 V N 0.554 120.349 119.914 -0.199 0.000 2.789 504 V HA 0.898 5.016 4.120 -0.003 0.000 0.311 504 V C -0.661 175.351 176.094 -0.136 0.000 1.073 504 V CA -0.823 61.364 62.300 -0.188 0.000 0.921 504 V CB 1.662 33.362 31.823 -0.205 0.000 1.009 504 V HN 0.805 8.995 8.190 -0.000 0.000 0.426 505 A N 2.082 124.829 122.820 -0.123 0.000 2.486 505 A HA 0.796 5.114 4.320 -0.003 0.000 0.300 505 A C -1.035 176.524 177.584 -0.042 0.000 1.048 505 A CA -0.449 51.541 52.037 -0.077 0.000 0.696 505 A CB 1.489 20.442 19.000 -0.078 0.000 1.278 505 A HN 1.018 9.168 8.150 -0.000 0.000 0.405 506 H N 4.015 123.001 119.070 -0.140 0.000 2.651 506 H HA 0.267 4.818 4.556 -0.008 0.000 0.252 506 H C -2.401 172.881 175.328 -0.077 0.000 1.365 506 H CA -1.615 54.350 56.048 -0.139 0.000 1.539 506 H CB 1.664 31.329 29.762 -0.162 0.000 1.621 506 H HN 0.392 8.672 8.280 -0.000 0.000 0.526 507 P HA -0.132 4.288 4.420 -0.000 0.000 0.217 507 P C 1.366 178.507 177.300 -0.265 0.000 1.148 507 P CA 1.517 64.495 63.100 -0.204 0.000 0.828 507 P CB 0.122 31.732 31.700 -0.150 0.000 0.783 508 A N -0.316 122.227 122.820 -0.462 0.000 2.225 508 A HA -0.074 4.244 4.320 -0.003 0.000 0.215 508 A C 1.913 179.372 177.584 -0.207 0.000 1.164 508 A CA 1.833 53.670 52.037 -0.333 0.000 0.710 508 A CB -1.021 17.757 19.000 -0.370 0.000 0.780 508 A HN 0.372 8.522 8.150 -0.000 0.000 0.473 509 S N -3.397 112.186 115.700 -0.195 0.000 2.893 509 S HA 0.302 4.770 4.470 -0.003 0.000 0.258 509 S C 0.446 175.052 174.600 0.010 0.000 1.034 509 S CA 0.841 59.045 58.200 0.007 0.000 1.167 509 S CB -0.274 63.045 63.200 0.199 0.000 1.137 509 S HN 0.800 9.110 8.310 -0.000 0.000 0.650 510 S N 0.658 116.334 115.700 -0.040 0.000 3.586 510 S HA -0.127 4.341 4.470 -0.003 0.000 0.309 510 S C 0.138 174.734 174.600 -0.008 0.000 1.195 510 S CA 1.049 59.234 58.200 -0.025 0.000 0.895 510 S CB -2.429 60.763 63.200 -0.013 0.000 0.983 510 S HN 0.799 9.109 8.310 -0.000 0.000 0.563 511 T N 2.314 116.874 114.554 0.009 0.000 2.799 511 T HA 0.544 4.892 4.350 -0.003 0.000 0.286 511 T C -0.018 174.672 174.700 -0.017 0.000 0.973 511 T CA -0.313 61.794 62.100 0.011 0.000 1.035 511 T CB 1.381 70.279 68.868 0.050 0.000 0.932 511 T HN 0.184 8.424 8.240 -0.000 0.000 0.469 512 K N 2.118 122.499 120.400 -0.031 0.000 2.482 512 K HA 0.701 5.019 4.320 -0.003 0.000 0.251 512 K C -1.568 174.999 176.600 -0.055 0.000 0.936 512 K CA -0.731 55.527 56.287 -0.050 0.000 0.791 512 K CB 2.393 34.866 32.500 -0.045 0.000 1.213 512 K HN 0.324 8.574 8.250 -0.000 0.000 0.428 513 V N 2.137 122.005 119.914 -0.077 0.000 2.888 513 V HA 0.363 4.481 4.120 -0.003 0.000 0.309 513 V C -1.379 174.658 176.094 -0.096 0.000 1.114 513 V CA -0.979 61.274 62.300 -0.080 0.000 0.940 513 V CB 2.469 34.233 31.823 -0.098 0.000 1.021 513 V HN 0.727 8.917 8.190 -0.000 0.000 0.426 514 D N 2.342 122.697 120.400 -0.075 0.000 2.457 514 D HA 0.749 5.388 4.640 -0.003 0.000 0.240 514 D C -0.790 175.477 176.300 -0.057 0.000 1.041 514 D CA -0.617 53.335 54.000 -0.079 0.000 0.861 514 D CB 2.422 43.191 40.800 -0.052 0.000 1.394 514 D HN 0.362 8.732 8.370 -0.000 0.000 0.473 515 K N 0.872 121.239 120.400 -0.055 0.000 2.565 515 K HA 0.345 4.663 4.320 -0.003 0.000 0.249 515 K C -1.154 175.466 176.600 0.033 0.000 0.958 515 K CA -0.779 55.503 56.287 -0.009 0.000 0.806 515 K CB 1.626 34.114 32.500 -0.021 0.000 1.194 515 K HN 0.063 8.313 8.250 -0.000 0.000 0.434 516 K N 3.473 123.916 120.400 0.071 0.000 2.297 516 K HA 0.336 4.654 4.320 -0.003 0.000 0.286 516 K C -0.698 176.006 176.600 0.174 0.000 1.053 516 K CA -0.225 56.136 56.287 0.123 0.000 0.940 516 K CB 0.342 32.908 32.500 0.111 0.000 1.019 516 K HN 0.464 8.714 8.250 -0.000 0.000 0.475 517 I N 6.465 127.179 120.570 0.239 0.000 2.269 517 I HA 0.085 4.253 4.170 -0.003 0.000 0.293 517 I C -0.422 175.982 176.117 0.478 0.000 1.106 517 I CA -0.292 61.177 61.300 0.281 0.000 1.248 517 I CB 0.532 38.620 38.000 0.147 0.000 1.444 517 I HN 0.389 8.599 8.210 -0.000 0.000 0.497 518 V N 5.603 125.724 119.914 0.344 0.000 2.617 518 V HA 0.663 4.781 4.120 -0.003 0.000 0.298 518 V C -2.326 173.959 176.094 0.318 0.000 1.048 518 V CA -2.321 60.151 62.300 0.286 0.000 0.964 518 V CB 1.105 33.014 31.823 0.142 0.000 1.004 518 V HN 0.461 8.651 8.190 -0.000 0.000 0.466 519 P HA 0.189 4.609 4.420 -0.000 0.000 0.257 519 P C 0.024 177.414 177.300 0.149 0.000 1.269 519 P CA 0.581 63.799 63.100 0.197 0.000 1.122 519 P CB -0.282 31.368 31.700 -0.083 0.000 1.285 520 R N 0.000 120.609 120.500 0.182 0.000 2.786 520 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 520 R CA 0.000 56.169 56.100 0.115 0.000 0.921 520 R CB 0.000 30.354 30.300 0.089 0.000 0.687 520 R HN 0.000 8.270 8.270 -0.000 0.000 0.535