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 2kui_1_A DATA FIRST_RESID 355 DATA SEQUENCE GITRDVQVPD VRGQSSADAI ATLQNRGFKI RTLQKPDSTI PPDHVIGTDP DATA SEQUENCE AANTSVSAGD EITVNVSTGP EQREIPDVST LTYAEAVKKL TAAGFGRFKQ DATA SEQUENCE ANSPSTPELV GKVIGTNPPA NQTSAITNVV IIIVGSGPAT KDIPDVAGQT DATA SEQUENCE VDVAQKNLNV YGFTKFSQAS VDSPRPAGEV TGTNPPAGTT VPVDSVIELQ DATA SEQUENCE VSKGNQFVMP DLSGMFWVDA EPRLRALGWT GMLDKGADVD AGGSQHNRVV DATA SEQUENCE YQNPPAGTGV NRDGIITLRF GQ 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 355 G HA2 0.000 nan 3.960 nan 0.000 0.244 355 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 355 G C 0.000 174.903 174.900 0.005 0.000 0.946 355 G CA 0.000 45.103 45.100 0.004 0.000 0.502 356 I N 3.606 124.180 120.570 0.006 0.000 2.496 356 I HA 0.081 4.255 4.170 0.007 0.000 0.285 356 I C 0.197 176.319 176.117 0.008 0.000 1.080 356 I CA -0.407 60.897 61.300 0.007 0.000 1.404 356 I CB 0.269 38.273 38.000 0.007 0.000 1.403 356 I HN -0.015 8.198 8.210 0.005 0.000 0.539 357 T N 5.477 120.037 114.554 0.010 0.000 2.888 357 T HA 0.021 4.378 4.350 0.012 0.000 0.301 357 T C 0.643 175.352 174.700 0.015 0.000 1.001 357 T CA 0.202 62.310 62.100 0.013 0.000 1.147 357 T CB 0.695 69.572 68.868 0.015 0.000 0.931 357 T HN 0.065 8.311 8.240 0.010 0.000 0.541 358 R N 3.489 123.998 120.500 0.015 0.000 2.275 358 R HA -0.038 4.311 4.340 0.016 0.000 0.199 358 R C -0.140 176.173 176.300 0.023 0.000 0.989 358 R CA 0.248 56.358 56.100 0.016 0.000 1.016 358 R CB -0.073 30.233 30.300 0.011 0.000 0.918 358 R HN 0.189 8.466 8.270 0.013 0.000 0.473 359 D N -0.799 119.617 120.400 0.027 0.000 2.362 359 D HA -0.108 4.558 4.640 0.042 0.000 0.242 359 D C -0.321 176.009 176.300 0.049 0.000 1.132 359 D CA 0.614 54.638 54.000 0.040 0.000 0.907 359 D CB 0.985 41.808 40.800 0.038 0.000 1.195 359 D HN -0.475 7.853 8.370 0.022 0.055 0.429 360 V N -3.896 116.064 119.914 0.076 0.000 2.581 360 V HA 0.399 4.551 4.120 0.053 0.000 0.303 360 V C -1.138 175.000 176.094 0.072 0.000 1.041 360 V CA -2.716 59.632 62.300 0.079 0.000 0.907 360 V CB 3.059 34.949 31.823 0.110 0.000 0.994 360 V HN 0.762 8.906 8.190 0.100 0.106 0.442 361 Q N 5.653 125.473 119.800 0.033 0.000 2.278 361 Q HA 0.214 4.750 4.340 -0.001 -0.197 0.257 361 Q C -0.805 175.174 176.000 -0.035 0.000 0.928 361 Q CA -1.474 54.329 55.803 -0.001 0.000 0.932 361 Q CB 1.026 29.761 28.738 -0.004 0.000 1.221 361 Q HN 0.241 8.530 8.270 0.030 0.000 0.434 362 V N 9.357 129.212 119.914 -0.099 0.000 2.383 362 V HA 0.290 4.307 4.120 -0.172 0.000 0.275 362 V C -1.937 174.060 176.094 -0.161 0.000 1.036 362 V CA -2.965 59.210 62.300 -0.207 0.000 0.889 362 V CB 0.721 32.255 31.823 -0.483 0.000 0.985 362 V HN 0.351 8.484 8.190 -0.096 0.000 0.459 363 P HA -0.015 4.363 4.420 -0.069 0.000 0.268 363 P C -1.803 175.436 177.300 -0.101 0.000 1.204 363 P CA 0.166 63.214 63.100 -0.088 0.000 0.768 363 P CB 0.371 32.034 31.700 -0.063 0.000 0.842 364 D N 0.832 121.186 120.400 -0.078 0.000 2.198 364 D HA 0.052 4.638 4.640 -0.090 0.000 0.247 364 D C -0.218 176.048 176.300 -0.055 0.000 1.010 364 D CA -0.757 53.199 54.000 -0.073 0.000 0.880 364 D CB 2.174 42.937 40.800 -0.061 0.000 1.209 364 D HN -0.013 8.319 8.370 -0.063 0.000 0.451 365 V N -4.707 115.175 119.914 -0.053 0.000 3.111 365 V HA 0.215 4.312 4.120 -0.039 0.000 0.343 365 V C -0.638 175.431 176.094 -0.041 0.000 1.417 365 V CA -2.150 60.124 62.300 -0.044 0.000 1.142 365 V CB 0.842 32.637 31.823 -0.046 0.000 1.114 365 V HN -0.094 8.061 8.190 -0.057 0.000 0.520 366 R N 1.482 121.960 120.500 -0.037 0.000 2.697 366 R HA -0.381 3.941 4.340 -0.031 0.000 0.265 366 R C 0.201 176.487 176.300 -0.024 0.000 1.009 366 R CA 0.717 56.800 56.100 -0.028 0.000 1.099 366 R CB -0.443 29.844 30.300 -0.021 0.000 0.965 366 R HN 0.163 8.815 8.270 -0.040 -0.406 0.428 367 G N 3.996 112.785 108.800 -0.018 0.000 2.184 367 G HA2 -0.320 3.703 3.960 0.002 0.000 0.206 367 G HA3 -0.320 3.634 3.960 -0.011 0.000 0.206 367 G C -0.682 174.204 174.900 -0.023 0.000 0.995 367 G CA 0.041 45.134 45.100 -0.011 0.000 0.651 367 G HN 0.371 8.541 8.290 -0.015 0.110 0.511 368 Q N -1.056 118.713 119.800 -0.052 0.000 2.505 368 Q HA 0.173 4.473 4.340 -0.066 0.000 0.184 368 Q C -1.412 174.466 176.000 -0.204 0.000 0.878 368 Q CA -0.062 55.686 55.803 -0.091 0.000 0.811 368 Q CB 2.191 30.878 28.738 -0.084 0.000 1.118 368 Q HN -0.172 8.011 8.270 -0.052 0.055 0.605 369 S N -6.058 109.486 115.700 -0.259 0.000 2.625 369 S HA 0.323 4.326 4.470 -0.777 0.000 0.271 369 S C 0.347 174.809 174.600 -0.230 0.000 1.161 369 S CA -1.123 56.774 58.200 -0.506 0.000 0.820 369 S CB 3.367 66.194 63.200 -0.622 0.000 1.137 369 S HN -0.442 7.765 8.310 -0.172 0.000 0.470 370 S N 3.291 118.901 115.700 -0.151 0.000 2.356 370 S HA -0.335 4.129 4.470 -0.011 0.000 0.223 370 S C 1.354 175.932 174.600 -0.037 0.000 1.032 370 S CA 4.190 62.376 58.200 -0.024 0.000 1.005 370 S CB -0.100 63.137 63.200 0.062 0.000 0.867 370 S HN 0.901 9.108 8.310 -0.171 0.000 0.449 371 A N 1.530 124.320 122.820 -0.051 0.000 1.883 371 A HA -0.287 4.026 4.320 -0.012 0.000 0.217 371 A C 1.559 179.119 177.584 -0.041 0.000 1.186 371 A CA 3.033 55.050 52.037 -0.033 0.000 0.624 371 A CB -0.913 18.070 19.000 -0.027 0.000 0.822 371 A HN 0.159 8.266 8.150 -0.073 0.000 0.444 372 D N -1.573 118.785 120.400 -0.069 0.000 2.117 372 D HA -0.254 4.361 4.640 -0.042 0.000 0.198 372 D C 1.841 178.114 176.300 -0.046 0.000 0.982 372 D CA 3.146 57.112 54.000 -0.057 0.000 0.828 372 D CB 0.134 40.890 40.800 -0.073 0.000 0.967 372 D HN -0.593 7.714 8.370 -0.105 0.000 0.464 373 A N 0.594 123.383 122.820 -0.051 0.000 1.873 373 A HA -0.281 4.012 4.320 -0.046 0.000 0.215 373 A C 2.158 179.725 177.584 -0.028 0.000 1.186 373 A CA 3.117 55.129 52.037 -0.042 0.000 0.616 373 A CB -0.386 18.590 19.000 -0.041 0.000 0.823 373 A HN -0.437 7.674 8.150 -0.066 0.000 0.442 374 I N -1.286 119.274 120.570 -0.016 0.000 2.286 374 I HA -0.462 3.711 4.170 0.005 0.000 0.248 374 I C 1.679 177.800 176.117 0.007 0.000 1.115 374 I CA 2.372 63.673 61.300 0.001 0.000 1.392 374 I CB -0.696 37.310 38.000 0.009 0.000 1.065 374 I HN 0.325 8.523 8.210 -0.020 0.000 0.418 375 A N -0.621 122.198 122.820 -0.002 0.000 1.908 375 A HA -0.339 3.987 4.320 0.010 0.000 0.218 375 A C 2.236 179.824 177.584 0.007 0.000 1.181 375 A CA 3.687 55.725 52.037 0.003 0.000 0.627 375 A CB -1.052 17.944 19.000 -0.007 0.000 0.818 375 A HN 0.289 8.320 8.150 -0.011 0.113 0.445 376 T N 1.560 116.110 114.554 -0.006 0.000 2.737 376 T HA -0.321 4.028 4.350 -0.003 0.000 0.265 376 T C 2.039 176.743 174.700 0.007 0.000 1.038 376 T CA 4.390 66.485 62.100 -0.009 0.000 1.144 376 T CB -0.243 68.605 68.868 -0.034 0.000 0.866 376 T HN -0.495 7.725 8.240 -0.016 0.011 0.434 377 L N 0.158 121.382 121.223 0.002 0.000 2.056 377 L HA -0.307 4.034 4.340 0.003 0.000 0.207 377 L C 1.970 178.928 176.870 0.147 0.000 1.078 377 L CA 3.639 58.505 54.840 0.044 0.000 0.749 377 L CB -0.858 41.208 42.059 0.012 0.000 0.901 377 L HN -0.474 7.749 8.230 -0.013 0.000 0.433 378 Q N -0.639 119.215 119.800 0.090 0.000 2.124 378 Q HA -0.302 4.265 4.340 0.097 -0.169 0.202 378 Q C 2.538 178.582 176.000 0.073 0.000 0.977 378 Q CA 2.404 58.255 55.803 0.080 0.000 0.850 378 Q CB -0.440 28.326 28.738 0.047 0.000 0.901 378 Q HN 0.441 8.639 8.270 0.056 0.106 0.429 379 N N -1.270 117.468 118.700 0.062 0.000 2.149 379 N HA -0.267 4.497 4.740 0.040 0.000 0.188 379 N C 1.859 177.414 175.510 0.075 0.000 1.019 379 N CA 2.546 55.628 53.050 0.052 0.000 0.857 379 N CB 0.201 38.711 38.487 0.037 0.000 0.997 379 N HN -0.274 8.138 8.380 0.052 0.000 0.426 380 R N -3.785 116.792 120.500 0.129 0.000 2.275 380 R HA 0.087 4.504 4.340 0.127 0.000 0.199 380 R C 0.356 176.758 176.300 0.169 0.000 0.989 380 R CA -0.523 55.692 56.100 0.192 0.000 1.016 380 R CB -0.248 30.235 30.300 0.306 0.000 0.918 380 R HN -0.500 7.743 8.270 0.133 0.107 0.473 381 G N -2.276 106.601 108.800 0.128 0.000 2.163 381 G HA2 -0.344 3.623 3.960 0.010 0.000 0.213 381 G HA3 -0.344 3.579 3.960 -0.063 0.000 0.213 381 G C -0.560 174.304 174.900 -0.059 0.000 0.991 381 G CA -0.245 44.857 45.100 0.003 0.000 0.653 381 G HN -0.598 7.594 8.290 0.146 0.185 0.518 382 F N 1.418 121.368 119.950 -0.001 0.000 2.380 382 F HA 0.034 4.561 4.527 -0.000 0.000 0.325 382 F C -0.867 174.933 175.800 -0.000 0.000 1.136 382 F CA 1.565 59.565 58.000 -0.001 0.000 1.171 382 F CB 1.316 40.316 39.000 -0.001 0.000 1.230 382 F HN -0.106 8.407 8.300 0.433 0.047 0.554 383 K N -0.631 119.886 120.400 0.195 0.000 2.295 383 K HA 0.523 4.897 4.320 0.092 0.000 0.239 383 K C -1.812 174.857 176.600 0.115 0.000 0.991 383 K CA -1.407 54.947 56.287 0.110 0.000 0.845 383 K CB 3.285 35.818 32.500 0.055 0.000 1.197 383 K HN 0.650 9.042 8.250 0.236 0.000 0.441 384 I N -4.338 116.276 120.570 0.072 0.000 2.934 384 I HA 0.762 5.205 4.170 0.063 -0.236 0.306 384 I C -1.724 174.417 176.117 0.040 0.000 1.110 384 I CA -3.150 58.183 61.300 0.055 0.000 1.019 384 I CB 3.708 41.733 38.000 0.041 0.000 1.227 384 I HN 0.071 8.316 8.210 0.058 0.000 0.434 385 R N 2.423 122.943 120.500 0.033 0.000 2.480 385 R HA 0.288 4.643 4.340 0.025 0.000 0.306 385 R C -1.610 174.704 176.300 0.022 0.000 0.958 385 R CA -1.166 54.950 56.100 0.026 0.000 0.861 385 R CB 2.879 33.193 30.300 0.024 0.000 1.171 385 R HN 0.731 8.899 8.270 0.033 0.122 0.445 386 T N 7.828 122.394 114.554 0.021 0.000 2.771 386 T HA 0.309 4.822 4.350 0.020 -0.151 0.281 386 T C -1.448 173.262 174.700 0.017 0.000 0.982 386 T CA -0.164 61.948 62.100 0.020 0.000 0.978 386 T CB 1.015 69.896 68.868 0.021 0.000 0.930 386 T HN 0.313 8.565 8.240 0.020 0.000 0.447 387 L N 8.151 129.384 121.223 0.016 0.000 2.298 387 L HA 0.388 4.736 4.340 0.013 0.000 0.284 387 L C -2.310 174.569 176.870 0.014 0.000 1.013 387 L CA -1.759 53.089 54.840 0.014 0.000 0.824 387 L CB 1.842 43.908 42.059 0.013 0.000 1.221 387 L HN 0.706 8.946 8.230 0.017 0.000 0.418 388 Q N 5.083 124.890 119.800 0.013 0.000 2.241 388 Q HA 0.201 4.703 4.340 0.013 -0.154 0.254 388 Q C -1.023 174.983 176.000 0.010 0.000 0.917 388 Q CA -0.784 55.026 55.803 0.012 0.000 0.919 388 Q CB 1.622 30.367 28.738 0.012 0.000 1.237 388 Q HN 0.363 8.640 8.270 0.012 0.000 0.434 389 K N 3.214 123.620 120.400 0.009 0.000 2.471 389 K HA 0.531 4.856 4.320 0.008 0.000 0.252 389 K C -2.467 174.137 176.600 0.007 0.000 0.938 389 K CA -3.058 53.234 56.287 0.008 0.000 0.796 389 K CB 2.410 34.915 32.500 0.007 0.000 1.161 389 K HN -0.085 8.170 8.250 0.009 0.000 0.425 390 P HA -0.196 4.229 4.420 0.007 0.000 0.268 390 P C -0.926 176.379 177.300 0.007 0.000 1.205 390 P CA 0.206 63.311 63.100 0.009 0.000 0.771 390 P CB 0.217 31.924 31.700 0.013 0.000 0.858 391 D N 1.777 122.180 120.400 0.005 0.000 10.678 391 D HA -0.310 4.407 4.640 0.001 -0.076 0.327 391 D C -1.031 175.268 176.300 -0.003 0.000 3.144 391 D CA 0.689 54.691 54.000 0.002 0.000 2.748 391 D CB 0.368 41.172 40.800 0.006 0.000 1.230 391 D HN -0.208 8.164 8.370 0.004 0.000 0.947 392 S N -0.019 115.677 115.700 -0.007 0.000 2.572 392 S HA 0.099 4.563 4.470 -0.011 0.000 0.228 392 S C 0.240 174.835 174.600 -0.008 0.000 0.963 392 S CA 0.475 58.668 58.200 -0.011 0.000 0.939 392 S CB 0.741 63.929 63.200 -0.021 0.000 0.804 392 S HN 0.336 8.643 8.310 -0.006 0.000 0.480 393 T N 1.586 116.138 114.554 -0.004 0.000 3.035 393 T HA -0.121 4.227 4.350 -0.003 0.000 0.268 393 T C -0.072 174.628 174.700 -0.000 0.000 1.109 393 T CA 0.955 63.054 62.100 -0.002 0.000 1.119 393 T CB 0.244 69.113 68.868 0.000 0.000 0.900 393 T HN -0.085 8.442 8.240 -0.002 -0.289 0.503 394 I N -1.932 118.639 120.570 0.000 0.000 2.577 394 I HA 0.442 4.614 4.170 0.003 0.000 0.305 394 I C -2.335 173.783 176.117 0.002 0.000 0.986 394 I CA -3.932 57.370 61.300 0.002 0.000 1.189 394 I CB -0.716 37.286 38.000 0.004 0.000 1.355 394 I HN -0.794 7.374 8.210 -0.000 0.042 0.476 395 P HA 0.000 4.426 4.420 0.009 0.000 0.251 395 P C -2.157 175.148 177.300 0.008 0.000 1.116 395 P CA -0.112 62.993 63.100 0.009 0.000 0.776 395 P CB -0.608 31.099 31.700 0.011 0.000 0.701 396 P HA -0.126 4.281 4.420 -0.022 0.000 0.270 396 P C 0.454 177.760 177.300 0.011 0.000 1.227 396 P CA 0.151 63.245 63.100 -0.009 0.000 0.788 396 P CB 0.544 32.229 31.700 -0.024 0.000 0.926 397 D N -0.786 119.606 120.400 -0.012 0.000 2.354 397 D HA -0.334 4.329 4.640 0.039 0.000 0.216 397 D C -0.863 175.527 176.300 0.150 0.000 0.970 397 D CA 2.670 56.690 54.000 0.034 0.000 0.905 397 D CB -0.245 40.559 40.800 0.006 0.000 0.903 397 D HN 0.510 8.848 8.370 -0.052 0.000 0.508 398 H N -1.726 117.344 119.070 -0.000 0.000 2.481 398 H HA 0.323 4.878 4.556 -0.001 0.000 0.339 398 H C -0.276 175.051 175.328 -0.003 0.000 1.131 398 H CA -2.507 53.540 56.048 -0.001 0.000 1.301 398 H CB 2.292 32.053 29.762 -0.002 0.000 1.476 398 H HN -0.477 7.755 8.280 0.091 0.102 0.529 399 V N 0.080 120.045 119.914 0.085 0.000 2.439 399 V HA -0.009 4.137 4.120 0.044 0.000 0.271 399 V C -0.157 175.956 176.094 0.032 0.000 1.040 399 V CA 0.855 63.178 62.300 0.037 0.000 1.002 399 V CB -0.553 31.270 31.823 -0.001 0.000 1.000 399 V HN 0.397 8.601 8.190 0.024 0.000 0.477 400 I N 2.131 122.720 120.570 0.032 0.000 3.790 400 I HA 0.255 4.437 4.170 0.020 0.000 0.305 400 I C -0.549 175.574 176.117 0.009 0.000 1.253 400 I CA -0.030 61.283 61.300 0.022 0.000 1.355 400 I CB 0.820 38.835 38.000 0.025 0.000 1.137 400 I HN -0.095 8.136 8.210 0.035 0.000 0.435 401 G N -0.058 108.746 108.800 0.008 0.000 2.690 401 G HA2 0.187 4.146 3.960 -0.003 0.000 0.293 401 G HA3 0.187 4.149 3.960 0.002 0.000 0.293 401 G C -1.539 173.360 174.900 -0.001 0.000 1.399 401 G CA -0.230 44.870 45.100 0.001 0.000 0.890 401 G HN -0.515 7.782 8.290 0.013 0.000 0.485 402 T N -3.004 111.545 114.554 -0.007 0.000 2.716 402 T HA 0.236 4.582 4.350 -0.007 0.000 0.286 402 T C -1.589 173.105 174.700 -0.011 0.000 1.052 402 T CA -1.764 60.329 62.100 -0.011 0.000 1.024 402 T CB 2.226 71.081 68.868 -0.022 0.000 1.349 402 T HN -0.326 7.909 8.240 -0.009 0.000 0.525 403 D N 0.424 120.816 120.400 -0.013 0.000 2.193 403 D HA 0.439 5.076 4.640 -0.007 0.000 0.244 403 D C -0.119 176.171 176.300 -0.016 0.000 1.064 403 D CA -3.512 50.483 54.000 -0.010 0.000 0.845 403 D CB 2.051 42.849 40.800 -0.003 0.000 1.148 403 D HN 0.171 8.531 8.370 -0.016 0.000 0.464 404 P HA -0.001 4.662 4.420 -0.023 -0.257 0.236 404 P C 0.141 177.432 177.300 -0.016 0.000 1.172 404 P CA 0.546 63.636 63.100 -0.016 0.000 0.759 404 P CB 0.011 31.705 31.700 -0.010 0.000 0.843 405 A N -0.319 122.495 122.820 -0.011 0.000 1.892 405 A HA -0.295 4.029 4.320 0.006 0.000 0.218 405 A C 2.198 179.772 177.584 -0.017 0.000 1.188 405 A CA 3.114 55.150 52.037 -0.002 0.000 0.631 405 A CB -1.030 17.976 19.000 0.010 0.000 0.822 405 A HN -0.044 8.264 8.150 -0.009 -0.164 0.447 406 A N -2.818 119.971 122.820 -0.053 0.000 2.015 406 A HA -0.290 3.950 4.320 -0.135 0.000 0.219 406 A C 0.536 178.065 177.584 -0.092 0.000 1.163 406 A CA 2.672 54.639 52.037 -0.116 0.000 0.646 406 A CB -0.156 18.740 19.000 -0.174 0.000 0.806 406 A HN -0.457 7.665 8.150 -0.048 0.000 0.448 407 N N -6.583 112.082 118.700 -0.058 0.000 2.467 407 N HA -0.057 4.651 4.740 -0.053 0.000 0.184 407 N C -0.367 175.128 175.510 -0.026 0.000 1.106 407 N CA 0.271 53.295 53.050 -0.043 0.000 0.892 407 N CB 0.643 39.110 38.487 -0.033 0.000 0.969 407 N HN 0.075 8.264 8.380 -0.048 0.162 0.454 408 T N 0.993 115.536 114.554 -0.018 0.000 2.944 408 T HA 0.155 4.503 4.350 -0.003 0.000 0.284 408 T C -0.733 173.970 174.700 0.006 0.000 1.010 408 T CA -0.481 61.617 62.100 -0.003 0.000 1.025 408 T CB 2.198 71.068 68.868 0.004 0.000 1.079 408 T HN -0.721 7.307 8.240 -0.023 0.198 0.516 409 S N 4.235 119.944 115.700 0.015 0.000 2.430 409 S HA 0.054 4.672 4.470 0.029 -0.129 0.282 409 S C -0.206 174.422 174.600 0.048 0.000 1.186 409 S CA 1.178 59.396 58.200 0.029 0.000 1.060 409 S CB -0.148 63.067 63.200 0.025 0.000 0.966 409 S HN 0.227 8.545 8.310 0.012 0.000 0.501 410 V N 1.662 121.625 119.914 0.081 0.000 3.158 410 V HA 0.446 4.611 4.120 0.076 0.000 0.315 410 V C -1.046 175.130 176.094 0.137 0.000 1.148 410 V CA -3.217 59.149 62.300 0.110 0.000 1.042 410 V CB 3.451 35.362 31.823 0.146 0.000 1.101 410 V HN 0.550 8.709 8.190 0.091 0.086 0.448 411 S N 2.026 117.786 115.700 0.099 0.000 2.564 411 S HA -0.018 4.477 4.470 0.041 0.000 0.278 411 S C 0.152 174.749 174.600 -0.004 0.000 1.333 411 S CA 0.467 58.693 58.200 0.043 0.000 1.048 411 S CB 0.480 63.680 63.200 -0.001 0.000 0.900 411 S HN 0.260 8.621 8.310 0.085 0.000 0.505 412 A N 4.036 126.800 122.820 -0.094 0.000 2.473 412 A HA -0.130 3.813 4.320 -0.628 0.000 0.282 412 A C 0.137 177.323 177.584 -0.664 0.000 1.163 412 A CA 0.792 52.575 52.037 -0.423 0.000 0.827 412 A CB -0.800 18.088 19.000 -0.187 0.000 1.098 412 A HN 0.272 8.398 8.150 -0.040 0.000 0.515 413 G N 3.023 111.087 108.800 -1.227 0.000 2.245 413 G HA2 -0.238 3.455 3.960 -0.733 0.000 0.116 413 G HA3 -0.238 3.472 3.960 -0.416 0.000 0.116 413 G C -1.639 173.066 174.900 -0.325 0.000 1.054 413 G CA -0.437 44.257 45.100 -0.678 0.000 0.728 413 G HN 0.073 6.929 8.290 -2.391 0.000 0.483 414 D N -0.993 119.296 120.400 -0.185 0.000 2.487 414 D HA 0.176 4.829 4.640 0.021 0.000 0.262 414 D C -1.762 174.649 176.300 0.184 0.000 1.130 414 D CA -1.492 52.566 54.000 0.097 0.000 1.038 414 D CB 2.648 43.576 40.800 0.214 0.000 1.142 414 D HN -0.372 7.754 8.370 -0.406 0.000 0.575 415 E N -1.160 119.119 120.200 0.132 0.000 2.155 415 E HA 0.466 5.045 4.350 0.129 -0.152 0.264 415 E C -0.710 175.946 176.600 0.093 0.000 0.886 415 E CA -1.217 55.248 56.400 0.107 0.000 0.752 415 E CB 1.371 31.107 29.700 0.060 0.000 1.133 415 E HN 0.159 8.582 8.360 0.105 0.000 0.414 416 I N 5.660 126.282 120.570 0.088 0.000 2.331 416 I HA 0.258 4.452 4.170 0.040 0.000 0.292 416 I C 0.187 176.322 176.117 0.029 0.000 0.998 416 I CA -2.544 58.782 61.300 0.043 0.000 1.267 416 I CB 0.596 38.599 38.000 0.005 0.000 1.386 416 I HN 0.788 8.967 8.210 0.109 0.097 0.476 417 T N 5.706 120.273 114.554 0.020 0.000 2.851 417 T HA 0.291 4.847 4.350 0.020 -0.194 0.298 417 T C -0.988 173.718 174.700 0.011 0.000 0.977 417 T CA -0.522 61.589 62.100 0.017 0.000 1.126 417 T CB 0.599 69.476 68.868 0.015 0.000 0.916 417 T HN 0.431 8.682 8.240 0.019 0.000 0.529 418 V N 3.150 123.072 119.914 0.013 0.000 2.495 418 V HA 0.296 4.420 4.120 0.008 0.000 0.298 418 V C -2.097 174.006 176.094 0.015 0.000 1.031 418 V CA -2.722 59.585 62.300 0.012 0.000 0.871 418 V CB 3.713 35.544 31.823 0.014 0.000 0.988 418 V HN 0.899 8.991 8.190 0.016 0.108 0.432 419 N N 7.532 126.241 118.700 0.015 0.000 2.422 419 N HA 0.084 4.833 4.740 0.015 0.000 0.266 419 N C -1.263 174.259 175.510 0.021 0.000 1.007 419 N CA -0.122 52.937 53.050 0.016 0.000 0.941 419 N CB 0.736 39.230 38.487 0.013 0.000 1.115 419 N HN 0.301 8.689 8.380 0.013 0.000 0.492 420 V N 5.371 125.297 119.914 0.020 0.000 2.823 420 V HA 0.276 4.413 4.120 0.029 0.000 0.312 420 V C -1.589 174.514 176.094 0.014 0.000 1.072 420 V CA -1.352 60.962 62.300 0.023 0.000 0.937 420 V CB 4.235 36.074 31.823 0.027 0.000 1.013 420 V HN 0.718 8.918 8.190 0.017 0.000 0.430 421 S N 4.057 119.762 115.700 0.009 0.000 2.542 421 S HA 0.669 5.377 4.470 0.005 -0.235 0.293 421 S C -1.271 173.327 174.600 -0.003 0.000 1.089 421 S CA -0.847 57.355 58.200 0.003 0.000 0.961 421 S CB 3.374 66.574 63.200 -0.000 0.000 1.062 421 S HN 0.239 8.637 8.310 0.010 -0.083 0.483 422 T N 3.675 118.227 114.554 -0.002 0.000 2.943 422 T HA 0.221 4.566 4.350 -0.007 0.000 0.284 422 T C 0.358 175.053 174.700 -0.008 0.000 1.015 422 T CA -1.297 60.800 62.100 -0.004 0.000 1.042 422 T CB 1.609 70.478 68.868 0.002 0.000 1.055 422 T HN 0.593 8.723 8.240 0.001 0.110 0.500 423 G N 0.282 109.075 108.800 -0.011 0.000 2.785 423 G HA2 -0.093 3.856 3.960 -0.019 0.000 0.256 423 G HA3 -0.093 3.859 3.960 -0.014 0.000 0.256 423 G C -1.541 173.356 174.900 -0.005 0.000 1.248 423 G CA -1.085 44.008 45.100 -0.013 0.000 0.914 423 G HN 0.218 8.501 8.290 -0.012 0.000 0.580 424 P HA -0.138 4.283 4.420 0.001 0.000 0.266 424 P C -1.171 176.133 177.300 0.007 0.000 1.195 424 P CA 0.220 63.320 63.100 -0.001 0.000 0.768 424 P CB 0.177 31.874 31.700 -0.005 0.000 0.838 425 E N 3.941 124.150 120.200 0.015 0.000 2.259 425 E HA 0.049 4.414 4.350 0.025 0.000 0.281 425 E C -0.984 175.637 176.600 0.035 0.000 1.037 425 E CA 0.265 56.682 56.400 0.028 0.000 0.854 425 E CB 0.367 30.089 29.700 0.037 0.000 1.051 425 E HN 0.267 8.636 8.360 0.014 0.000 0.409 426 Q N 1.019 120.842 119.800 0.038 0.000 2.456 426 Q HA 0.455 4.891 4.340 0.046 -0.069 0.283 426 Q C -0.958 175.087 176.000 0.075 0.000 1.084 426 Q CA -1.068 54.760 55.803 0.041 0.000 0.801 426 Q CB 4.103 32.845 28.738 0.006 0.000 1.434 426 Q HN 0.180 8.471 8.270 0.035 0.000 0.419 427 R N 0.717 121.288 120.500 0.118 0.000 2.670 427 R HA 0.463 4.868 4.340 0.108 0.000 0.289 427 R C -1.510 174.867 176.300 0.128 0.000 0.965 427 R CA -2.668 53.527 56.100 0.158 0.000 0.899 427 R CB 3.217 33.695 30.300 0.295 0.000 1.173 427 R HN 0.996 9.325 8.270 0.098 0.000 0.456 428 E N 1.311 121.569 120.200 0.096 0.000 2.283 428 E HA 0.241 4.827 4.350 0.062 -0.199 0.278 428 E C -0.309 176.353 176.600 0.103 0.000 1.027 428 E CA -0.738 55.707 56.400 0.075 0.000 0.843 428 E CB 0.564 30.292 29.700 0.046 0.000 1.062 428 E HN 0.279 8.689 8.360 0.083 0.000 0.401 429 I N 3.694 124.324 120.570 0.100 0.000 2.452 429 I HA 0.093 4.369 4.170 0.178 0.000 0.287 429 I C -1.396 174.762 176.117 0.068 0.000 1.079 429 I CA -1.681 59.692 61.300 0.120 0.000 1.387 429 I CB -0.351 37.719 38.000 0.117 0.000 1.404 429 I HN 0.280 8.534 8.210 0.073 0.000 0.522 430 P HA 0.068 4.501 4.420 0.021 0.000 0.275 430 P C -1.366 175.944 177.300 0.016 0.000 1.228 430 P CA -0.376 62.737 63.100 0.023 0.000 0.786 430 P CB 0.664 32.366 31.700 0.003 0.000 0.927 431 D N -0.034 120.372 120.400 0.009 0.000 2.264 431 D HA -0.019 4.628 4.640 0.010 0.000 0.249 431 D C -0.952 175.345 176.300 -0.005 0.000 1.070 431 D CA 0.003 54.006 54.000 0.006 0.000 0.912 431 D CB 0.872 41.676 40.800 0.008 0.000 1.193 431 D HN -0.104 8.271 8.370 0.009 0.000 0.427 432 V N 2.927 122.837 119.914 -0.007 0.000 3.049 432 V HA 0.194 4.304 4.120 -0.017 0.000 0.309 432 V C -1.737 174.353 176.094 -0.006 0.000 1.148 432 V CA -1.786 60.505 62.300 -0.016 0.000 0.990 432 V CB 2.742 34.543 31.823 -0.036 0.000 1.039 432 V HN -0.195 7.995 8.190 -0.000 0.000 0.430 433 S N 4.607 120.303 115.700 -0.006 0.000 2.549 433 S HA 0.111 4.584 4.470 0.005 0.000 0.286 433 S C 0.932 175.538 174.600 0.010 0.000 1.314 433 S CA 0.263 58.464 58.200 0.002 0.000 1.062 433 S CB 0.805 64.006 63.200 0.002 0.000 0.865 433 S HN -0.029 8.275 8.310 -0.011 0.000 0.498 434 T N 1.887 116.451 114.554 0.017 0.000 2.962 434 T HA -0.175 4.194 4.350 0.032 0.000 0.270 434 T C 0.938 175.659 174.700 0.036 0.000 1.088 434 T CA 2.844 64.960 62.100 0.027 0.000 1.127 434 T CB -0.207 68.675 68.868 0.023 0.000 0.883 434 T HN 0.533 8.782 8.240 0.014 0.000 0.493 435 L N -6.252 114.988 121.223 0.029 0.000 2.509 435 L HA 0.370 4.730 4.340 0.033 0.000 0.222 435 L C -0.001 176.895 176.870 0.044 0.000 1.123 435 L CA 0.742 55.601 54.840 0.031 0.000 0.856 435 L CB -0.483 41.588 42.059 0.020 0.000 0.985 435 L HN -0.380 7.810 8.230 0.021 0.052 0.456 436 T N 3.535 118.112 114.554 0.038 0.000 3.383 436 T HA 0.219 4.594 4.350 0.042 0.000 0.324 436 T C -0.962 173.755 174.700 0.030 0.000 1.822 436 T CA -0.760 61.358 62.100 0.030 0.000 1.424 436 T CB -1.356 67.512 68.868 -0.001 0.000 1.093 436 T HN -0.130 7.937 8.240 0.028 0.190 0.748 437 Y N 6.770 127.036 120.300 -0.056 0.000 2.193 437 Y HA -0.584 3.911 4.550 -0.091 0.000 0.285 437 Y C 0.247 176.075 175.900 -0.120 0.000 1.166 437 Y CA 4.775 62.825 58.100 -0.084 0.000 1.181 437 Y CB -0.096 38.324 38.460 -0.068 0.000 0.976 437 Y HN -0.663 7.669 8.280 0.188 0.061 0.520 438 A N -2.802 119.958 122.820 -0.100 0.000 1.908 438 A HA -0.415 3.729 4.320 -0.294 0.000 0.218 438 A C 2.163 179.606 177.584 -0.234 0.000 1.181 438 A CA 3.175 55.102 52.037 -0.183 0.000 0.627 438 A CB -1.181 17.798 19.000 -0.034 0.000 0.818 438 A HN 0.257 8.442 8.150 0.084 0.016 0.445 439 E N -1.023 119.081 120.200 -0.160 0.000 2.107 439 E HA -0.236 4.035 4.350 -0.131 0.000 0.191 439 E C 1.808 178.290 176.600 -0.197 0.000 0.982 439 E CA 1.979 58.294 56.400 -0.142 0.000 0.809 439 E CB -0.546 29.105 29.700 -0.083 0.000 0.756 439 E HN -0.575 7.635 8.360 -0.107 0.086 0.459 440 A N 0.192 122.865 122.820 -0.244 0.000 1.858 440 A HA -0.322 3.897 4.320 -0.169 0.000 0.216 440 A C 1.886 179.227 177.584 -0.404 0.000 1.190 440 A CA 3.539 55.417 52.037 -0.264 0.000 0.617 440 A CB -0.578 18.281 19.000 -0.235 0.000 0.827 440 A HN -0.197 7.738 8.150 -0.221 0.083 0.443 441 V N -3.563 115.930 119.914 -0.702 0.000 2.407 441 V HA -0.425 3.026 4.120 -1.115 0.000 0.248 441 V C 1.805 177.601 176.094 -0.497 0.000 1.055 441 V CA 3.525 65.221 62.300 -1.008 0.000 1.049 441 V CB -1.220 29.656 31.823 -1.577 0.000 0.662 441 V HN 0.096 7.802 8.190 -0.807 0.000 0.455 442 K N 1.119 121.315 120.400 -0.339 0.000 2.032 442 K HA -0.338 3.900 4.320 -0.136 0.000 0.209 442 K C 1.989 178.494 176.600 -0.159 0.000 1.048 442 K CA 2.966 59.142 56.287 -0.185 0.000 0.927 442 K CB -0.602 31.808 32.500 -0.150 0.000 0.712 442 K HN -0.458 7.552 8.250 -0.383 0.011 0.441 443 K N -0.995 119.302 120.400 -0.172 0.000 2.097 443 K HA -0.231 4.016 4.320 -0.122 0.000 0.206 443 K C 2.437 178.927 176.600 -0.183 0.000 1.049 443 K CA 2.561 58.763 56.287 -0.141 0.000 0.933 443 K CB -0.584 31.852 32.500 -0.107 0.000 0.717 443 K HN -0.008 7.939 8.250 -0.198 0.185 0.442 444 L N -2.952 118.154 121.223 -0.196 0.000 2.141 444 L HA -0.139 3.917 4.340 -0.474 0.000 0.209 444 L C 2.387 178.989 176.870 -0.446 0.000 1.094 444 L CA 1.895 56.545 54.840 -0.317 0.000 0.763 444 L CB -1.795 40.278 42.059 0.023 0.000 0.908 444 L HN 0.020 8.133 8.230 -0.195 0.000 0.437 445 T N 2.033 116.480 114.554 -0.177 0.000 2.812 445 T HA -0.321 3.957 4.350 -0.119 0.000 0.264 445 T C 2.065 176.662 174.700 -0.171 0.000 1.042 445 T CA 4.666 66.695 62.100 -0.118 0.000 1.140 445 T CB -0.490 68.378 68.868 0.001 0.000 0.870 445 T HN -0.242 7.816 8.240 -0.127 0.106 0.445 446 A N 0.349 123.073 122.820 -0.160 0.000 2.119 446 A HA 0.021 4.282 4.320 -0.098 0.000 0.217 446 A C 0.511 177.999 177.584 -0.160 0.000 1.153 446 A CA 1.792 53.752 52.037 -0.128 0.000 0.692 446 A CB -0.858 18.084 19.000 -0.096 0.000 0.799 446 A HN 0.105 8.057 8.150 -0.153 0.107 0.458 447 A N -3.853 118.796 122.820 -0.286 0.000 2.251 447 A HA -0.061 4.174 4.320 -0.141 0.000 0.209 447 A C -0.078 177.315 177.584 -0.318 0.000 1.187 447 A CA -0.144 51.705 52.037 -0.314 0.000 0.823 447 A CB 0.580 19.308 19.000 -0.453 0.000 0.846 447 A HN -0.541 7.222 8.150 -0.357 0.173 0.486 448 G N -0.939 107.693 108.800 -0.280 0.000 4.244 448 G HA2 -0.366 3.556 3.960 -0.064 0.000 0.222 448 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.222 448 G C 0.525 175.367 174.900 -0.096 0.000 1.665 448 G CA 0.653 45.688 45.100 -0.110 0.000 1.315 448 G HN -0.202 7.735 8.290 -0.279 0.186 0.637 449 F N 2.101 122.062 119.950 0.018 0.000 2.043 449 F HA -0.383 4.292 4.527 0.000 -0.148 0.297 449 F C 2.020 177.828 175.800 0.014 0.000 1.118 449 F CA 0.019 58.027 58.000 0.013 0.000 1.202 449 F CB -0.794 38.216 39.000 0.016 0.000 0.965 449 F HN -0.662 7.725 8.300 0.145 0.000 0.482 450 G N -2.422 106.263 108.800 -0.193 0.000 2.258 450 G HA2 -0.527 3.509 3.960 0.058 0.000 0.274 450 G HA3 -0.527 3.425 3.960 -0.015 0.000 0.274 450 G C -0.798 174.110 174.900 0.015 0.000 1.021 450 G CA 0.489 45.590 45.100 0.002 0.000 0.798 450 G HN -0.149 7.559 8.290 -0.877 0.056 0.507 451 R N -0.275 120.355 120.500 0.217 0.000 2.246 451 R HA 0.406 4.598 4.340 -0.246 0.000 0.332 451 R C -1.655 174.736 176.300 0.150 0.000 0.974 451 R CA -2.293 53.827 56.100 0.033 0.000 0.837 451 R CB -0.044 30.326 30.300 0.117 0.000 1.145 451 R HN 0.002 8.587 8.270 0.566 0.026 0.467 452 F N 0.042 120.057 119.950 0.110 0.000 2.626 452 F HA 1.053 5.911 4.527 0.110 -0.264 0.311 452 F C -1.093 174.758 175.800 0.085 0.000 1.088 452 F CA -2.999 55.060 58.000 0.098 0.000 0.949 452 F CB 3.325 42.369 39.000 0.073 0.000 1.322 452 F HN -0.028 7.822 8.300 -0.750 0.000 0.461 453 K N -0.733 119.874 120.400 0.345 0.000 2.426 453 K HA 0.426 4.896 4.320 0.251 0.000 0.251 453 K C -1.869 174.899 176.600 0.280 0.000 0.941 453 K CA -1.855 54.584 56.287 0.253 0.000 0.808 453 K CB 4.547 37.127 32.500 0.134 0.000 1.265 453 K HN 0.267 8.720 8.250 0.339 0.000 0.432 454 Q N 2.871 122.816 119.800 0.242 0.000 2.341 454 Q HA 0.712 5.363 4.340 0.207 -0.188 0.268 454 Q C -1.432 174.620 176.000 0.087 0.000 1.013 454 Q CA -1.410 54.505 55.803 0.186 0.000 0.798 454 Q CB 2.279 31.123 28.738 0.177 0.000 1.253 454 Q HN 0.330 8.727 8.270 0.212 0.000 0.457 455 A N 8.022 130.881 122.820 0.064 0.000 2.365 455 A HA 0.513 4.850 4.320 0.028 0.000 0.318 455 A C -2.461 175.130 177.584 0.011 0.000 1.091 455 A CA -1.464 50.594 52.037 0.035 0.000 0.763 455 A CB 3.446 22.470 19.000 0.040 0.000 1.248 455 A HN 1.152 9.243 8.150 0.080 0.107 0.442 456 N N 2.139 120.838 118.700 -0.001 0.000 2.362 456 N HA 0.871 5.827 4.740 -0.015 -0.225 0.298 456 N C -0.959 174.549 175.510 -0.003 0.000 1.048 456 N CA -0.455 52.587 53.050 -0.012 0.000 0.858 456 N CB 2.951 41.422 38.487 -0.026 0.000 1.218 456 N HN 0.317 8.697 8.380 0.001 0.000 0.488 457 S N 1.730 117.429 115.700 -0.001 0.000 2.571 457 S HA 0.547 5.019 4.470 0.002 0.000 0.284 457 S C -2.414 172.186 174.600 0.001 0.000 1.128 457 S CA -3.065 55.137 58.200 0.002 0.000 0.970 457 S CB 1.425 64.630 63.200 0.008 0.000 1.039 457 S HN 0.550 8.858 8.310 -0.003 0.000 0.485 458 P HA 0.624 5.378 4.420 -0.000 -0.333 0.271 458 P C -1.001 176.302 177.300 0.005 0.000 1.233 458 P CA -0.238 62.863 63.100 0.002 0.000 0.764 458 P CB 0.217 31.918 31.700 0.001 0.000 0.825 459 S N 4.715 120.418 115.700 0.006 0.000 2.740 459 S HA 0.274 4.750 4.470 0.010 0.000 0.300 459 S C -1.197 173.410 174.600 0.012 0.000 1.147 459 S CA -1.450 56.755 58.200 0.009 0.000 0.871 459 S CB 2.486 65.691 63.200 0.010 0.000 1.173 459 S HN -0.077 8.236 8.310 0.005 0.000 0.510 460 T N 2.141 116.703 114.554 0.014 0.000 2.946 460 T HA 0.021 4.382 4.350 0.018 0.000 0.311 460 T C 0.584 175.294 174.700 0.017 0.000 1.063 460 T CA -2.623 59.486 62.100 0.016 0.000 1.139 460 T CB 0.626 69.503 68.868 0.016 0.000 0.994 460 T HN 0.025 8.272 8.240 0.013 0.000 0.547 461 P HA -0.177 4.256 4.420 0.023 0.000 0.217 461 P C -0.088 177.224 177.300 0.021 0.000 1.148 461 P CA 1.932 65.046 63.100 0.024 0.000 0.828 461 P CB 0.130 31.850 31.700 0.033 0.000 0.783 462 E N -4.531 115.681 120.200 0.020 0.000 2.216 462 E HA -0.170 4.191 4.350 0.019 0.000 0.192 462 E C 1.418 178.027 176.600 0.015 0.000 0.988 462 E CA 1.717 58.128 56.400 0.017 0.000 0.834 462 E CB -0.924 28.786 29.700 0.016 0.000 0.772 462 E HN 0.155 8.485 8.360 0.020 0.042 0.479 463 L N -0.682 120.549 121.223 0.014 0.000 2.477 463 L HA 0.122 4.470 4.340 0.013 0.000 0.220 463 L C 0.233 177.110 176.870 0.010 0.000 1.106 463 L CA -0.166 54.682 54.840 0.013 0.000 0.851 463 L CB -0.030 42.037 42.059 0.013 0.000 0.994 463 L HN -0.112 7.990 8.230 0.015 0.137 0.462 464 V N -1.334 118.586 119.914 0.010 0.000 2.599 464 V HA -0.617 3.535 4.120 0.002 -0.031 0.300 464 V C 0.291 176.387 176.094 0.003 0.000 1.034 464 V CA 2.981 65.284 62.300 0.005 0.000 1.115 464 V CB -0.524 31.302 31.823 0.006 0.000 0.934 464 V HN -0.445 7.752 8.190 0.012 0.000 0.485 465 G N 5.321 114.119 108.800 -0.003 0.000 2.232 465 G HA2 -0.391 3.562 3.960 -0.012 0.000 0.226 465 G HA3 -0.391 3.569 3.960 0.000 0.000 0.226 465 G C -1.492 173.406 174.900 -0.003 0.000 0.996 465 G CA 0.228 45.325 45.100 -0.005 0.000 0.626 465 G HN 1.159 9.332 8.290 -0.008 0.113 0.509 466 K N -2.362 118.039 120.400 0.003 0.000 2.495 466 K HA 0.448 4.774 4.320 0.011 0.000 0.268 466 K C -1.876 174.733 176.600 0.016 0.000 1.008 466 K CA -2.673 53.621 56.287 0.011 0.000 0.882 466 K CB 3.135 35.645 32.500 0.016 0.000 1.443 466 K HN -0.612 7.573 8.250 0.003 0.067 0.447 467 V N -0.032 119.901 119.914 0.032 0.000 2.740 467 V HA -0.300 3.932 4.120 0.039 -0.088 0.303 467 V C -0.295 175.819 176.094 0.033 0.000 1.054 467 V CA 2.230 64.557 62.300 0.044 0.000 1.106 467 V CB 0.261 32.128 31.823 0.074 0.000 0.957 467 V HN 0.539 8.624 8.190 0.039 0.128 0.486 468 I N 3.646 124.236 120.570 0.032 0.000 3.265 468 I HA -0.014 4.169 4.170 0.023 0.000 0.282 468 I C 0.351 176.485 176.117 0.029 0.000 1.207 468 I CA 0.895 62.211 61.300 0.026 0.000 1.449 468 I CB 0.753 38.767 38.000 0.023 0.000 1.121 468 I HN 0.784 8.907 8.210 0.036 0.109 0.442 469 G N -1.592 107.230 108.800 0.037 0.000 2.373 469 G HA2 -0.075 3.907 3.960 0.036 0.000 0.250 469 G HA3 -0.075 3.904 3.960 0.032 0.000 0.250 469 G C -2.792 172.136 174.900 0.047 0.000 1.304 469 G CA 0.314 45.437 45.100 0.038 0.000 0.948 469 G HN -0.832 7.483 8.290 0.043 0.000 0.474 470 T N -2.428 112.153 114.554 0.045 0.000 2.912 470 T HA 0.535 5.038 4.350 0.066 -0.114 0.288 470 T C -0.420 174.304 174.700 0.041 0.000 1.030 470 T CA -2.335 59.797 62.100 0.053 0.000 1.020 470 T CB 3.015 71.917 68.868 0.057 0.000 1.056 470 T HN -0.019 8.243 8.240 0.038 0.000 0.480 471 N N 3.274 121.999 118.700 0.042 0.000 2.080 471 N HA 0.003 4.759 4.740 0.027 0.000 0.189 471 N C -0.957 174.565 175.510 0.020 0.000 1.036 471 N CA 2.134 55.202 53.050 0.029 0.000 0.846 471 N CB -0.480 38.024 38.487 0.028 0.000 1.015 471 N HN 0.499 8.910 8.380 0.052 0.000 0.423 472 P HA 0.225 4.645 4.420 -0.000 0.000 0.272 472 P C -2.237 175.068 177.300 0.009 0.000 1.240 472 P CA -1.609 61.494 63.100 0.004 0.000 0.791 472 P CB -1.099 30.595 31.700 -0.011 0.000 0.978 473 P HA -0.068 4.359 4.420 0.012 0.000 0.267 473 P C -0.185 177.124 177.300 0.014 0.000 1.209 473 P CA 0.283 63.388 63.100 0.008 0.000 0.763 473 P CB 0.240 31.942 31.700 0.003 0.000 0.816 474 A N 3.211 126.044 122.820 0.023 0.000 2.275 474 A HA -0.024 4.321 4.320 0.043 0.000 0.212 474 A C -0.913 176.691 177.584 0.033 0.000 1.201 474 A CA 1.201 53.258 52.037 0.034 0.000 0.843 474 A CB -0.187 18.834 19.000 0.034 0.000 0.873 474 A HN 0.368 8.530 8.150 0.020 0.000 0.492 475 N N -5.640 113.075 118.700 0.024 0.000 2.250 475 N HA 0.025 4.781 4.740 0.027 0.000 0.190 475 N C -0.202 175.321 175.510 0.022 0.000 1.116 475 N CA -0.183 52.880 53.050 0.023 0.000 0.881 475 N CB 1.043 39.540 38.487 0.017 0.000 1.006 475 N HN -0.304 8.028 8.380 0.019 0.060 0.491 476 Q N -1.079 118.731 119.800 0.017 0.000 2.162 476 Q HA 0.202 4.548 4.340 0.011 0.000 0.197 476 Q C -1.072 174.934 176.000 0.011 0.000 1.013 476 Q CA -0.630 55.179 55.803 0.010 0.000 1.040 476 Q CB 1.194 29.932 28.738 0.000 0.000 1.114 476 Q HN -0.624 7.599 8.270 0.017 0.058 0.547 477 T N -2.085 112.468 114.554 -0.002 0.000 2.882 477 T HA 0.610 5.105 4.350 0.015 -0.136 0.287 477 T C -0.156 174.511 174.700 -0.055 0.000 0.992 477 T CA -1.240 60.855 62.100 -0.008 0.000 1.076 477 T CB 0.863 69.728 68.868 -0.004 0.000 0.961 477 T HN 0.041 8.277 8.240 -0.006 0.000 0.490 478 S N 2.479 118.119 115.700 -0.101 0.000 2.542 478 S HA 0.298 4.653 4.470 -0.192 0.000 0.293 478 S C -1.289 173.156 174.600 -0.259 0.000 1.089 478 S CA -1.521 56.531 58.200 -0.247 0.000 0.961 478 S CB 2.927 65.851 63.200 -0.460 0.000 1.062 478 S HN 0.918 9.092 8.310 -0.050 0.105 0.483 479 A N 1.751 124.422 122.820 -0.248 0.000 2.313 479 A HA 0.069 4.347 4.320 -0.070 0.000 0.261 479 A C 1.703 179.190 177.584 -0.163 0.000 1.090 479 A CA -0.504 51.445 52.037 -0.146 0.000 0.807 479 A CB 1.195 20.137 19.000 -0.097 0.000 1.055 479 A HN 0.513 8.520 8.150 -0.240 0.000 0.492 480 I N -2.764 117.826 120.570 0.033 0.000 3.428 480 I HA -0.108 4.357 4.170 0.491 0.000 0.286 480 I C 1.031 177.233 176.117 0.142 0.000 1.287 480 I CA 0.912 62.337 61.300 0.208 0.000 1.396 480 I CB -1.584 36.518 38.000 0.170 0.000 1.062 480 I HN 0.572 8.800 8.210 0.031 0.000 0.471 481 T N -3.698 110.873 114.554 0.029 0.000 3.085 481 T HA -0.041 4.340 4.350 0.051 0.000 0.264 481 T C -1.082 173.597 174.700 -0.035 0.000 1.019 481 T CA -1.077 61.032 62.100 0.015 0.000 0.910 481 T CB 0.071 68.939 68.868 0.001 0.000 1.059 481 T HN -0.157 8.007 8.240 -0.014 0.068 0.542 482 N N 1.517 120.141 118.700 -0.128 0.000 2.498 482 N HA 0.012 4.685 4.740 -0.112 0.000 0.287 482 N C -1.338 174.066 175.510 -0.177 0.000 1.097 482 N CA -0.499 52.438 53.050 -0.188 0.000 0.973 482 N CB 1.640 39.956 38.487 -0.285 0.000 1.153 482 N HN -0.567 7.520 8.380 -0.177 0.187 0.472 483 V N 3.076 122.938 119.914 -0.086 0.000 2.398 483 V HA 0.138 4.456 4.120 0.057 -0.163 0.286 483 V C -0.698 175.401 176.094 0.009 0.000 1.026 483 V CA -2.138 60.160 62.300 -0.004 0.000 0.868 483 V CB 1.600 33.426 31.823 0.005 0.000 0.982 483 V HN 0.094 8.235 8.190 -0.080 0.000 0.443 484 V N 5.187 125.157 119.914 0.093 0.000 2.398 484 V HA 0.432 4.578 4.120 0.044 0.000 0.286 484 V C -1.653 174.530 176.094 0.147 0.000 1.026 484 V CA -1.540 60.822 62.300 0.103 0.000 0.868 484 V CB 1.674 33.579 31.823 0.136 0.000 0.982 484 V HN 0.702 8.902 8.190 0.183 0.100 0.443 485 I N 7.437 128.069 120.570 0.102 0.000 2.342 485 I HA 0.158 4.538 4.170 0.149 -0.121 0.291 485 I C -2.041 174.142 176.117 0.109 0.000 1.010 485 I CA -2.168 59.199 61.300 0.111 0.000 1.308 485 I CB 0.534 38.578 38.000 0.073 0.000 1.400 485 I HN 0.544 8.796 8.210 0.069 0.000 0.488 486 I N 9.843 130.496 120.570 0.137 0.000 2.378 486 I HA 0.366 4.716 4.170 0.096 -0.123 0.291 486 I C -1.778 174.402 176.117 0.105 0.000 0.992 486 I CA -1.175 60.199 61.300 0.123 0.000 1.154 486 I CB 2.290 40.379 38.000 0.147 0.000 1.315 486 I HN 1.048 9.238 8.210 0.172 0.124 0.448 487 I N 7.806 128.420 120.570 0.074 0.000 2.378 487 I HA 0.850 5.278 4.170 0.048 -0.229 0.291 487 I C -2.444 173.697 176.117 0.040 0.000 0.992 487 I CA -2.524 58.806 61.300 0.050 0.000 1.154 487 I CB 2.823 40.845 38.000 0.038 0.000 1.315 487 I HN 0.367 8.618 8.210 0.069 0.000 0.448 488 V N 9.084 129.010 119.914 0.020 0.000 2.555 488 V HA 0.550 4.771 4.120 0.017 -0.090 0.302 488 V C -1.792 174.299 176.094 -0.005 0.000 1.038 488 V CA -3.426 58.876 62.300 0.004 0.000 0.887 488 V CB 3.699 35.504 31.823 -0.030 0.000 0.991 488 V HN 1.056 9.148 8.190 0.013 0.106 0.434 489 G N 6.350 115.150 108.800 -0.000 0.000 2.361 489 G HA2 0.061 4.247 3.960 0.001 0.000 0.260 489 G HA3 0.061 4.173 3.960 0.003 -0.150 0.260 489 G C -2.496 172.399 174.900 -0.009 0.000 1.261 489 G CA 0.085 45.184 45.100 -0.001 0.000 0.897 489 G HN 0.495 8.788 8.290 0.004 0.000 0.499 490 S N 3.932 119.626 115.700 -0.010 0.000 2.546 490 S HA 0.299 4.758 4.470 -0.018 0.000 0.274 490 S C -1.423 173.171 174.600 -0.011 0.000 1.121 490 S CA -1.227 56.963 58.200 -0.016 0.000 0.887 490 S CB 1.704 64.888 63.200 -0.026 0.000 1.094 490 S HN 0.607 8.800 8.310 -0.007 0.114 0.474 491 G N 2.627 111.419 108.800 -0.012 0.000 2.858 491 G HA2 -0.236 3.715 3.960 -0.014 0.000 0.266 491 G HA3 -0.236 3.718 3.960 -0.010 0.000 0.266 491 G C -2.664 172.232 174.900 -0.006 0.000 1.023 491 G CA -0.794 44.300 45.100 -0.011 0.000 1.172 491 G HN 0.135 8.416 8.290 -0.015 0.000 0.523 492 P HA 0.251 4.675 4.420 0.006 0.000 0.290 492 P C -1.155 176.142 177.300 -0.006 0.000 1.275 492 P CA -1.070 62.030 63.100 0.000 0.000 0.841 492 P CB 1.206 32.908 31.700 0.004 0.000 1.042 493 A N 1.041 123.862 122.820 0.002 0.000 2.610 493 A HA 0.321 4.624 4.320 -0.027 0.000 0.291 493 A C -1.572 176.019 177.584 0.010 0.000 1.116 493 A CA -0.028 52.005 52.037 -0.006 0.000 0.963 493 A CB 0.575 19.575 19.000 0.000 0.000 1.220 493 A HN 0.308 8.466 8.150 0.012 0.000 0.530 494 T N -4.662 109.908 114.554 0.027 0.000 2.876 494 T HA 0.815 5.413 4.350 0.117 -0.178 0.289 494 T C -0.638 174.115 174.700 0.088 0.000 1.014 494 T CA -1.758 60.388 62.100 0.077 0.000 0.986 494 T CB 2.564 71.476 68.868 0.074 0.000 1.021 494 T HN -0.609 7.555 8.240 0.018 0.087 0.458 495 K N 0.560 121.073 120.400 0.188 0.000 2.533 495 K HA 0.354 4.769 4.320 0.158 0.000 0.272 495 K C -2.114 174.677 176.600 0.319 0.000 0.985 495 K CA -1.373 55.054 56.287 0.234 0.000 0.876 495 K CB 4.689 37.313 32.500 0.207 0.000 1.452 495 K HN 0.823 9.250 8.250 0.295 0.000 0.439 496 D N 0.623 121.153 120.400 0.217 0.000 2.210 496 D HA 0.483 5.319 4.640 0.079 -0.149 0.249 496 D C 0.249 176.552 176.300 0.006 0.000 1.078 496 D CA -0.999 53.061 54.000 0.101 0.000 0.875 496 D CB 0.809 41.642 40.800 0.056 0.000 1.175 496 D HN 0.096 8.590 8.370 0.206 0.000 0.440 497 I N -4.277 116.212 120.570 -0.135 0.000 2.474 497 I HA 0.470 4.398 4.170 -0.403 0.000 0.287 497 I C -1.500 174.451 176.117 -0.276 0.000 1.048 497 I CA -2.501 58.607 61.300 -0.320 0.000 1.383 497 I CB -0.505 37.244 38.000 -0.418 0.000 1.412 497 I HN 0.091 8.232 8.210 -0.116 0.000 0.531 498 P HA 0.198 4.530 4.420 -0.146 0.000 0.276 498 P C -1.125 176.090 177.300 -0.142 0.000 1.261 498 P CA -0.912 62.055 63.100 -0.221 0.000 0.800 498 P CB 0.832 32.387 31.700 -0.242 0.000 1.066 499 D N -0.681 119.671 120.400 -0.080 0.000 2.371 499 D HA -0.188 4.412 4.640 -0.067 0.000 0.256 499 D C -0.567 175.701 176.300 -0.054 0.000 1.193 499 D CA 1.044 55.009 54.000 -0.059 0.000 0.881 499 D CB 0.217 40.997 40.800 -0.033 0.000 1.143 499 D HN 0.081 8.416 8.370 -0.059 0.000 0.473 500 V N 7.368 127.247 119.914 -0.059 0.000 2.454 500 V HA 0.171 4.269 4.120 -0.037 0.000 0.267 500 V C -2.607 173.462 176.094 -0.042 0.000 0.993 500 V CA -0.853 61.416 62.300 -0.051 0.000 0.836 500 V CB 0.938 32.721 31.823 -0.066 0.000 1.055 500 V HN 0.132 8.283 8.190 -0.064 0.000 0.452 501 A N 6.143 128.946 122.820 -0.030 0.000 2.429 501 A HA 0.632 5.107 4.320 -0.025 -0.170 0.289 501 A C -0.843 176.731 177.584 -0.016 0.000 1.043 501 A CA -0.455 51.568 52.037 -0.023 0.000 0.722 501 A CB 1.832 20.819 19.000 -0.022 0.000 1.243 501 A HN 0.077 8.211 8.150 -0.026 0.000 0.415 502 G N 3.646 112.438 108.800 -0.013 0.000 2.231 502 G HA2 -0.319 3.787 3.960 -0.006 0.000 0.206 502 G HA3 -0.319 3.636 3.960 -0.007 0.000 0.206 502 G C -0.763 174.131 174.900 -0.009 0.000 0.996 502 G CA -0.023 45.072 45.100 -0.009 0.000 0.645 502 G HN 0.503 8.785 8.290 -0.015 0.000 0.498 503 Q N -0.161 119.631 119.800 -0.013 0.000 2.199 503 Q HA 0.250 4.584 4.340 -0.010 0.000 0.232 503 Q C -0.973 175.017 176.000 -0.017 0.000 0.969 503 Q CA -1.232 54.562 55.803 -0.014 0.000 0.925 503 Q CB 1.843 30.570 28.738 -0.018 0.000 1.198 503 Q HN -0.157 8.021 8.270 -0.017 0.082 0.494 504 T N 1.530 116.073 114.554 -0.018 0.000 2.882 504 T HA 0.361 4.930 4.350 -0.013 -0.226 0.287 504 T C 1.854 176.534 174.700 -0.033 0.000 1.014 504 T CA -0.391 61.698 62.100 -0.019 0.000 1.049 504 T CB 0.812 69.671 68.868 -0.014 0.000 1.001 504 T HN 0.126 8.356 8.240 -0.017 0.000 0.525 505 V N 2.885 122.781 119.914 -0.030 0.000 2.332 505 V HA -0.477 3.611 4.120 -0.053 0.000 0.248 505 V C 1.511 177.555 176.094 -0.084 0.000 1.055 505 V CA 4.314 66.587 62.300 -0.046 0.000 1.038 505 V CB -0.957 30.856 31.823 -0.016 0.000 0.651 505 V HN -0.073 8.106 8.190 -0.018 0.000 0.450 506 D N -0.652 119.713 120.400 -0.059 0.000 2.117 506 D HA -0.275 4.313 4.640 -0.087 0.000 0.197 506 D C 2.708 178.957 176.300 -0.084 0.000 0.987 506 D CA 4.268 58.227 54.000 -0.068 0.000 0.829 506 D CB -0.486 40.296 40.800 -0.031 0.000 0.961 506 D HN 0.357 8.698 8.370 -0.035 0.008 0.460 507 V N -0.406 119.472 119.914 -0.061 0.000 2.453 507 V HA -0.426 3.669 4.120 -0.042 0.000 0.247 507 V C 1.318 177.372 176.094 -0.066 0.000 1.048 507 V CA 3.341 65.611 62.300 -0.049 0.000 1.049 507 V CB -0.157 31.649 31.823 -0.027 0.000 0.672 507 V HN -0.904 7.153 8.190 -0.049 0.104 0.457 508 A N -0.315 122.454 122.820 -0.086 0.000 1.877 508 A HA -0.349 3.930 4.320 -0.068 0.000 0.216 508 A C 1.755 179.238 177.584 -0.169 0.000 1.186 508 A CA 3.641 55.617 52.037 -0.101 0.000 0.620 508 A CB -0.789 18.154 19.000 -0.095 0.000 0.822 508 A HN 0.454 8.483 8.150 -0.079 0.073 0.443 509 Q N -2.366 117.251 119.800 -0.305 0.000 2.124 509 Q HA -0.423 3.543 4.340 -0.623 0.000 0.202 509 Q C 2.036 177.821 176.000 -0.358 0.000 0.977 509 Q CA 2.938 58.372 55.803 -0.615 0.000 0.850 509 Q CB -0.574 27.449 28.738 -1.192 0.000 0.901 509 Q HN 0.428 8.536 8.270 -0.269 0.000 0.429 510 K N 0.774 121.057 120.400 -0.195 0.000 2.026 510 K HA -0.345 3.933 4.320 -0.069 0.000 0.208 510 K C 2.196 178.797 176.600 0.003 0.000 1.048 510 K CA 3.431 59.672 56.287 -0.076 0.000 0.929 510 K CB -0.248 32.224 32.500 -0.047 0.000 0.713 510 K HN -0.511 7.534 8.250 -0.190 0.091 0.439 511 N N 0.049 118.761 118.700 0.020 0.000 2.120 511 N HA -0.281 4.551 4.740 0.153 0.000 0.188 511 N C 2.561 178.217 175.510 0.243 0.000 1.024 511 N CA 2.938 56.066 53.050 0.129 0.000 0.852 511 N CB -0.419 38.125 38.487 0.096 0.000 1.003 511 N HN -0.093 8.272 8.380 -0.025 0.000 0.424 512 L N -0.410 120.892 121.223 0.133 0.000 2.046 512 L HA -0.326 4.224 4.340 0.349 0.000 0.208 512 L C 1.769 178.847 176.870 0.346 0.000 1.077 512 L CA 3.236 58.226 54.840 0.250 0.000 0.747 512 L CB -1.174 40.948 42.059 0.105 0.000 0.896 512 L HN 0.192 8.431 8.230 0.015 0.000 0.432 513 N N -0.207 118.603 118.700 0.184 0.000 2.166 513 N HA -0.254 4.794 4.740 0.215 -0.179 0.186 513 N C 3.314 178.898 175.510 0.124 0.000 1.019 513 N CA 2.924 56.074 53.050 0.166 0.000 0.856 513 N CB 0.136 38.694 38.487 0.117 0.000 0.993 513 N HN 0.112 8.430 8.380 0.075 0.107 0.426 514 V N 0.506 120.492 119.914 0.120 0.000 2.392 514 V HA -0.384 3.737 4.120 0.002 0.000 0.249 514 V C 0.702 176.787 176.094 -0.014 0.000 1.059 514 V CA 3.436 65.760 62.300 0.040 0.000 1.051 514 V CB 0.139 31.974 31.823 0.020 0.000 0.658 514 V HN 0.054 8.324 8.190 0.133 0.000 0.455 515 Y N -2.782 117.536 120.300 0.030 0.000 2.583 515 Y HA -0.090 4.431 4.550 -0.048 0.000 0.293 515 Y C 0.473 176.192 175.900 -0.302 0.000 1.157 515 Y CA 1.131 59.203 58.100 -0.047 0.000 1.315 515 Y CB 0.413 38.971 38.460 0.163 0.000 1.021 515 Y HN -0.878 7.542 8.280 0.439 0.123 0.536 516 G N -2.646 106.099 108.800 -0.091 0.000 2.179 516 G HA2 -0.380 3.529 3.960 -0.085 0.000 0.220 516 G HA3 -0.380 3.408 3.960 -0.287 0.000 0.220 516 G C -0.402 174.373 174.900 -0.208 0.000 0.990 516 G CA -0.184 44.800 45.100 -0.193 0.000 0.646 516 G HN -0.321 7.792 8.290 0.050 0.207 0.517 517 F N 2.737 122.765 119.950 0.131 0.000 2.464 517 F HA 0.266 5.098 4.527 0.099 -0.245 0.353 517 F C 0.974 176.872 175.800 0.163 0.000 1.191 517 F CA -1.582 56.491 58.000 0.122 0.000 1.147 517 F CB -1.533 37.532 39.000 0.108 0.000 1.294 517 F HN -0.249 8.036 8.300 0.068 0.056 0.583 518 T N -0.131 114.577 114.554 0.257 0.000 3.081 518 T HA 0.024 4.547 4.350 0.289 0.000 0.255 518 T C 0.401 175.227 174.700 0.209 0.000 1.113 518 T CA 0.650 62.888 62.100 0.230 0.000 1.082 518 T CB 0.486 69.424 68.868 0.117 0.000 0.939 518 T HN -0.134 8.219 8.240 0.188 0.000 0.506 519 K N 2.767 123.280 120.400 0.189 0.000 2.316 519 K HA 0.316 4.554 4.320 -0.137 0.000 0.267 519 K C -1.893 174.784 176.600 0.128 0.000 1.025 519 K CA -1.010 55.300 56.287 0.038 0.000 0.896 519 K CB 1.196 33.714 32.500 0.030 0.000 1.124 519 K HN -0.262 8.088 8.250 0.245 0.047 0.451 520 F N 1.741 121.716 119.950 0.042 0.000 2.588 520 F HA 1.134 5.881 4.527 0.009 -0.214 0.314 520 F C -1.122 174.684 175.800 0.010 0.000 1.069 520 F CA -3.124 54.889 58.000 0.021 0.000 0.931 520 F CB 3.048 42.062 39.000 0.025 0.000 1.260 520 F HN 0.109 8.002 8.300 -0.677 0.000 0.465 521 S N -0.554 115.250 115.700 0.174 0.000 2.540 521 S HA 0.260 4.767 4.470 0.062 0.000 0.275 521 S C -2.104 172.572 174.600 0.126 0.000 1.123 521 S CA -1.144 57.112 58.200 0.093 0.000 0.907 521 S CB 2.945 66.157 63.200 0.020 0.000 1.081 521 S HN 0.751 9.181 8.310 0.200 0.000 0.476 522 Q N 1.929 121.796 119.800 0.111 0.000 2.331 522 Q HA 0.887 5.536 4.340 0.072 -0.266 0.267 522 Q C -1.065 174.962 176.000 0.046 0.000 1.006 522 Q CA -2.056 53.797 55.803 0.083 0.000 0.818 522 Q CB 2.250 31.046 28.738 0.096 0.000 1.276 522 Q HN 0.178 8.507 8.270 0.098 0.000 0.450 523 A N 6.470 129.308 122.820 0.030 0.000 2.273 523 A HA 0.367 4.699 4.320 0.019 0.000 0.315 523 A C -1.532 176.061 177.584 0.016 0.000 1.256 523 A CA -1.001 51.048 52.037 0.019 0.000 0.851 523 A CB 1.349 20.356 19.000 0.012 0.000 1.172 523 A HN 0.728 8.895 8.150 0.028 0.000 0.508 524 S N 5.882 121.592 115.700 0.016 0.000 2.438 524 S HA 0.876 5.606 4.470 0.014 -0.252 0.293 524 S C -0.143 174.464 174.600 0.012 0.000 1.141 524 S CA -1.186 57.022 58.200 0.014 0.000 1.080 524 S CB 0.686 63.896 63.200 0.017 0.000 0.978 524 S HN 0.462 8.782 8.310 0.017 0.000 0.479 525 V N 1.105 121.025 119.914 0.011 0.000 2.864 525 V HA 0.565 4.691 4.120 0.010 0.000 0.314 525 V C -2.003 174.098 176.094 0.012 0.000 1.073 525 V CA -3.354 58.952 62.300 0.010 0.000 0.956 525 V CB 3.084 34.911 31.823 0.007 0.000 1.023 525 V HN 0.500 8.696 8.190 0.010 0.000 0.435 526 D N 0.542 120.950 120.400 0.013 0.000 2.424 526 D HA 0.542 5.465 4.640 0.019 -0.272 0.244 526 D C -0.273 176.034 176.300 0.013 0.000 1.134 526 D CA 0.298 54.308 54.000 0.015 0.000 0.881 526 D CB 0.362 41.172 40.800 0.017 0.000 1.191 526 D HN 0.034 8.411 8.370 0.012 0.000 0.445 527 S N 1.191 116.899 115.700 0.014 0.000 2.579 527 S HA 0.396 4.872 4.470 0.009 0.000 0.272 527 S C -1.191 173.417 174.600 0.013 0.000 1.141 527 S CA -2.556 55.651 58.200 0.011 0.000 0.843 527 S CB 2.018 65.224 63.200 0.010 0.000 1.122 527 S HN 0.468 8.688 8.310 0.018 0.100 0.468 528 P HA -0.120 4.307 4.420 0.013 0.000 0.223 528 P C -1.194 176.113 177.300 0.013 0.000 1.151 528 P CA 0.694 63.801 63.100 0.011 0.000 0.787 528 P CB 0.349 32.053 31.700 0.008 0.000 0.788 529 R N -0.447 120.060 120.500 0.011 0.000 2.537 529 R HA 0.153 4.499 4.340 0.011 0.000 0.280 529 R C -1.753 174.557 176.300 0.016 0.000 1.058 529 R CA -2.050 54.056 56.100 0.011 0.000 1.057 529 R CB -0.188 30.117 30.300 0.008 0.000 0.973 529 R HN -0.353 7.882 8.270 0.010 0.041 0.438 530 P HA -0.036 4.403 4.420 0.031 0.000 0.267 530 P C -1.023 176.290 177.300 0.022 0.000 1.200 530 P CA -0.349 62.765 63.100 0.024 0.000 0.772 530 P CB 0.437 32.151 31.700 0.023 0.000 0.855 531 A N 1.267 124.103 122.820 0.027 0.000 2.515 531 A HA -0.049 4.502 4.320 0.020 -0.219 0.263 531 A C 0.737 178.331 177.584 0.017 0.000 1.096 531 A CA 0.328 52.379 52.037 0.023 0.000 0.769 531 A CB -0.048 18.969 19.000 0.028 0.000 1.040 531 A HN 0.423 8.594 8.150 0.035 0.000 0.505 532 G N 4.239 113.046 108.800 0.012 0.000 2.480 532 G HA2 -0.298 3.666 3.960 0.007 0.000 0.193 532 G HA3 -0.298 3.666 3.960 0.007 0.000 0.193 532 G C -1.416 173.485 174.900 0.002 0.000 1.004 532 G CA -0.097 45.007 45.100 0.007 0.000 0.696 532 G HN 0.672 8.969 8.290 0.012 0.000 0.478 533 E N 3.695 123.896 120.200 0.003 0.000 2.290 533 E HA 0.230 4.734 4.350 -0.004 -0.157 0.277 533 E C -0.846 175.751 176.600 -0.005 0.000 1.035 533 E CA -0.711 55.688 56.400 -0.001 0.000 0.873 533 E CB 1.234 30.935 29.700 0.001 0.000 1.029 533 E HN -0.637 7.668 8.360 0.007 0.058 0.419 534 V N 9.391 129.299 119.914 -0.011 0.000 2.446 534 V HA -0.191 4.016 4.120 -0.011 -0.094 0.276 534 V C 0.740 176.826 176.094 -0.014 0.000 1.030 534 V CA 1.688 63.978 62.300 -0.015 0.000 1.033 534 V CB -0.588 31.219 31.823 -0.027 0.000 0.993 534 V HN 0.989 9.171 8.190 -0.014 0.000 0.477 535 T N 8.843 123.390 114.554 -0.011 0.000 2.777 535 T HA -0.192 4.153 4.350 -0.009 0.000 0.266 535 T C 0.151 174.841 174.700 -0.018 0.000 1.040 535 T CA 3.085 65.179 62.100 -0.011 0.000 1.141 535 T CB 0.513 69.376 68.868 -0.007 0.000 0.868 535 T HN 0.722 8.861 8.240 -0.009 0.095 0.444 536 G N -0.378 108.408 108.800 -0.023 0.000 2.367 536 G HA2 -0.018 4.107 3.960 -0.037 0.000 0.272 536 G HA3 -0.018 3.924 3.960 -0.030 0.000 0.272 536 G C -2.885 171.991 174.900 -0.039 0.000 1.271 536 G CA 0.478 45.559 45.100 -0.032 0.000 0.893 536 G HN -0.577 7.700 8.290 -0.021 0.000 0.485 537 T N -2.103 112.422 114.554 -0.049 0.000 2.916 537 T HA 0.590 5.044 4.350 -0.046 -0.132 0.292 537 T C -0.196 174.474 174.700 -0.051 0.000 1.064 537 T CA -2.778 59.288 62.100 -0.057 0.000 1.011 537 T CB 3.363 72.177 68.868 -0.091 0.000 1.152 537 T HN -0.153 8.057 8.240 -0.050 0.000 0.510 538 N N 1.821 120.492 118.700 -0.048 0.000 2.043 538 N HA -0.146 4.575 4.740 -0.031 0.000 0.193 538 N C -1.649 173.832 175.510 -0.048 0.000 1.037 538 N CA 2.792 55.818 53.050 -0.040 0.000 0.851 538 N CB -0.454 38.013 38.487 -0.033 0.000 1.027 538 N HN 0.081 8.432 8.380 -0.049 0.000 0.422 539 P HA 0.550 4.939 4.420 -0.053 0.000 0.288 539 P C -2.342 174.912 177.300 -0.076 0.000 1.267 539 P CA -2.293 60.765 63.100 -0.070 0.000 0.815 539 P CB -0.640 31.005 31.700 -0.091 0.000 0.989 540 P HA 0.027 4.414 4.420 -0.056 0.000 0.274 540 P C -0.227 177.030 177.300 -0.070 0.000 1.246 540 P CA -0.876 62.190 63.100 -0.057 0.000 0.795 540 P CB 0.452 32.129 31.700 -0.039 0.000 1.006 541 A N 0.692 123.472 122.820 -0.066 0.000 2.498 541 A HA -0.364 4.033 4.320 -0.103 -0.139 0.239 541 A C 1.076 178.627 177.584 -0.054 0.000 1.068 541 A CA 0.589 52.582 52.037 -0.073 0.000 0.766 541 A CB 0.259 19.223 19.000 -0.060 0.000 1.003 541 A HN 0.156 8.272 8.150 -0.056 0.000 0.497 542 G N 2.948 111.714 108.800 -0.057 0.000 2.199 542 G HA2 -0.462 3.637 3.960 -0.018 0.000 0.254 542 G HA3 -0.462 3.487 3.960 -0.019 0.000 0.254 542 G C -0.470 174.417 174.900 -0.022 0.000 0.982 542 G CA -0.068 45.016 45.100 -0.028 0.000 0.632 542 G HN 1.017 9.150 8.290 -0.082 0.108 0.529 543 T N 5.440 119.969 114.554 -0.041 0.000 2.779 543 T HA -0.062 4.279 4.350 -0.015 0.000 0.296 543 T C -0.447 174.244 174.700 -0.015 0.000 0.938 543 T CA 0.624 62.706 62.100 -0.031 0.000 1.119 543 T CB 0.344 69.183 68.868 -0.049 0.000 0.891 543 T HN -0.565 7.558 8.240 -0.063 0.080 0.526 544 T N 9.596 124.161 114.554 0.018 0.000 2.761 544 T HA 0.070 4.568 4.350 0.088 -0.095 0.296 544 T C -0.460 174.277 174.700 0.062 0.000 0.934 544 T CA 0.963 63.098 62.100 0.058 0.000 1.091 544 T CB -0.039 68.863 68.868 0.057 0.000 0.896 544 T HN 0.371 8.620 8.240 0.014 0.000 0.515 545 V N 2.942 122.924 119.914 0.114 0.000 3.130 545 V HA 0.612 4.781 4.120 0.081 0.000 0.310 545 V C -3.052 173.191 176.094 0.249 0.000 1.158 545 V CA -4.222 58.151 62.300 0.120 0.000 1.029 545 V CB 1.948 33.785 31.823 0.023 0.000 1.057 545 V HN 0.722 8.923 8.190 0.185 0.101 0.436 546 P HA 0.302 5.012 4.420 0.139 -0.206 0.271 546 P C 1.153 178.640 177.300 0.312 0.000 1.216 546 P CA -0.484 62.728 63.100 0.187 0.000 0.776 546 P CB 0.076 31.843 31.700 0.111 0.000 0.881 547 V N -0.524 119.468 119.914 0.130 0.000 2.759 547 V HA -0.308 3.715 4.120 -0.162 0.000 0.256 547 V C 1.072 177.238 176.094 0.120 0.000 1.080 547 V CA 2.944 65.207 62.300 -0.062 0.000 1.101 547 V CB -0.464 31.159 31.823 -0.333 0.000 0.698 547 V HN 0.735 8.845 8.190 0.047 0.108 0.477 548 D N -1.045 119.419 120.400 0.107 0.000 2.339 548 D HA 0.028 4.715 4.640 0.079 0.000 0.217 548 D C -0.796 175.568 176.300 0.108 0.000 1.050 548 D CA -0.506 53.547 54.000 0.087 0.000 0.856 548 D CB 0.172 41.001 40.800 0.047 0.000 0.922 548 D HN 0.250 8.622 8.370 0.093 0.054 0.518 549 S N -1.399 114.397 115.700 0.160 0.000 2.632 549 S HA 0.095 4.612 4.470 0.077 0.000 0.267 549 S C -0.663 174.005 174.600 0.113 0.000 1.276 549 S CA -0.752 57.518 58.200 0.117 0.000 0.998 549 S CB 1.075 64.340 63.200 0.109 0.000 0.953 549 S HN -0.666 7.593 8.310 0.233 0.190 0.547 550 V N 3.612 123.562 119.914 0.059 0.000 2.348 550 V HA -0.052 4.303 4.120 0.067 -0.194 0.270 550 V C -0.584 175.526 176.094 0.026 0.000 1.037 550 V CA -0.037 62.290 62.300 0.044 0.000 0.872 550 V CB 0.498 32.328 31.823 0.012 0.000 1.002 550 V HN 0.140 8.355 8.190 0.042 0.000 0.464 551 I N 8.980 129.573 120.570 0.038 0.000 2.396 551 I HA 0.052 4.186 4.170 -0.059 0.000 0.292 551 I C -1.223 174.909 176.117 0.025 0.000 0.999 551 I CA -1.435 59.850 61.300 -0.024 0.000 1.310 551 I CB 1.986 39.905 38.000 -0.135 0.000 1.404 551 I HN 0.844 9.012 8.210 0.094 0.098 0.496 552 E N 7.302 127.498 120.200 -0.007 0.000 2.134 552 E HA 0.591 5.183 4.350 0.046 -0.214 0.278 552 E C -0.821 175.779 176.600 -0.001 0.000 0.959 552 E CA -1.623 54.784 56.400 0.013 0.000 0.783 552 E CB 1.744 31.444 29.700 -0.001 0.000 1.095 552 E HN 0.299 8.637 8.360 -0.038 0.000 0.399 553 L N 7.148 128.386 121.223 0.025 0.000 2.257 553 L HA 0.283 4.610 4.340 -0.022 0.000 0.290 553 L C -1.080 175.795 176.870 0.008 0.000 1.044 553 L CA -0.931 53.912 54.840 0.004 0.000 0.810 553 L CB 0.382 42.448 42.059 0.011 0.000 1.193 553 L HN 1.144 9.302 8.230 0.062 0.109 0.425 554 Q N 4.509 124.305 119.800 -0.006 0.000 2.296 554 Q HA 0.296 4.782 4.340 0.005 -0.142 0.257 554 Q C -0.794 175.204 176.000 -0.002 0.000 0.942 554 Q CA -0.335 55.466 55.803 -0.002 0.000 0.939 554 Q CB 1.344 30.077 28.738 -0.008 0.000 1.198 554 Q HN 0.853 9.008 8.270 -0.017 0.105 0.429 555 V N 5.902 125.819 119.914 0.005 0.000 2.459 555 V HA 0.217 4.440 4.120 0.000 -0.103 0.295 555 V C -1.093 175.005 176.094 0.007 0.000 1.029 555 V CA -1.132 61.171 62.300 0.005 0.000 0.874 555 V CB 2.087 33.917 31.823 0.011 0.000 0.985 555 V HN 1.111 9.189 8.190 0.009 0.117 0.438 556 S N 7.583 123.286 115.700 0.005 0.000 2.510 556 S HA 0.051 4.525 4.470 0.008 0.000 0.279 556 S C -0.937 173.671 174.600 0.013 0.000 1.284 556 S CA 1.542 59.747 58.200 0.008 0.000 1.059 556 S CB 0.391 63.596 63.200 0.007 0.000 0.901 556 S HN 0.944 9.256 8.310 0.002 0.000 0.491 557 K N 6.798 127.207 120.400 0.016 0.000 2.425 557 K HA 0.408 4.741 4.320 0.023 0.000 0.259 557 K C 0.052 176.668 176.600 0.027 0.000 0.978 557 K CA -1.733 54.567 56.287 0.022 0.000 0.883 557 K CB 1.559 34.072 32.500 0.021 0.000 1.110 557 K HN 0.564 8.823 8.250 0.015 0.000 0.436 558 G N 4.037 112.857 108.800 0.034 0.000 2.421 558 G HA2 -0.222 4.063 3.960 0.031 0.000 0.217 558 G HA3 -0.222 3.764 3.960 0.044 0.000 0.217 558 G C -0.784 174.147 174.900 0.052 0.000 1.143 558 G CA 0.496 45.620 45.100 0.040 0.000 0.784 558 G HN 0.705 9.112 8.290 0.034 -0.096 0.541 559 N N -4.232 114.507 118.700 0.065 0.000 2.701 559 N HA -0.443 4.357 4.740 0.100 0.000 0.250 559 N C -1.974 173.607 175.510 0.119 0.000 1.046 559 N CA 0.321 53.423 53.050 0.087 0.000 0.733 559 N CB -0.572 37.952 38.487 0.061 0.000 0.973 559 N HN 0.008 8.406 8.380 0.059 0.017 0.541 560 Q N -3.091 116.792 119.800 0.140 0.000 2.379 560 Q HA 0.745 5.310 4.340 0.062 -0.188 0.278 560 Q C -1.647 174.489 176.000 0.227 0.000 1.068 560 Q CA -0.832 55.039 55.803 0.113 0.000 0.816 560 Q CB 3.353 32.118 28.738 0.044 0.000 1.387 560 Q HN -0.670 7.660 8.270 0.134 0.020 0.413 561 F N 0.046 120.017 119.950 0.035 0.000 2.608 561 F HA 0.396 4.940 4.527 0.029 0.000 0.309 561 F C -2.162 173.664 175.800 0.042 0.000 1.103 561 F CA -2.019 56.003 58.000 0.037 0.000 0.954 561 F CB 2.256 41.280 39.000 0.040 0.000 1.267 561 F HN 0.640 8.803 8.300 -0.228 0.000 0.444 562 V N 5.041 125.024 119.914 0.115 0.000 2.508 562 V HA -0.022 4.289 4.120 -0.058 -0.226 0.281 562 V C -0.172 175.949 176.094 0.046 0.000 1.041 562 V CA 0.717 63.031 62.300 0.022 0.000 1.016 562 V CB 0.088 31.940 31.823 0.048 0.000 0.984 562 V HN 0.501 8.809 8.190 0.197 0.000 0.478 563 M N 9.974 129.550 119.600 -0.040 0.000 2.209 563 M HA 0.457 4.992 4.480 0.092 0.000 0.355 563 M C -2.137 174.173 176.300 0.017 0.000 1.171 563 M CA -2.356 52.946 55.300 0.004 0.000 1.069 563 M CB 1.857 34.422 32.600 -0.059 0.000 1.622 563 M HN 0.228 8.465 8.290 -0.087 0.000 0.459 564 P HA -0.011 4.421 4.420 0.020 0.000 0.273 564 P C -1.545 175.756 177.300 0.002 0.000 1.250 564 P CA -0.548 62.564 63.100 0.021 0.000 0.793 564 P CB 0.355 32.072 31.700 0.028 0.000 1.011 565 D N -0.496 119.903 120.400 -0.002 0.000 2.390 565 D HA -0.128 4.504 4.640 -0.013 0.000 0.249 565 D C -0.002 176.287 176.300 -0.018 0.000 1.144 565 D CA 0.882 54.876 54.000 -0.011 0.000 0.880 565 D CB 0.273 41.067 40.800 -0.009 0.000 1.182 565 D HN 0.007 8.378 8.370 0.002 0.000 0.451 566 L N 4.029 125.237 121.223 -0.026 0.000 3.439 566 L HA 0.289 4.610 4.340 -0.033 0.000 0.313 566 L C -0.917 175.930 176.870 -0.038 0.000 1.292 566 L CA -0.939 53.881 54.840 -0.034 0.000 1.020 566 L CB 0.389 42.423 42.059 -0.043 0.000 1.424 566 L HN -0.192 8.259 8.230 -0.025 -0.235 0.612 567 S N 2.015 117.695 115.700 -0.034 0.000 2.528 567 S HA -0.038 4.414 4.470 -0.030 0.000 0.277 567 S C 1.149 175.716 174.600 -0.056 0.000 1.297 567 S CA 1.346 59.525 58.200 -0.034 0.000 1.052 567 S CB 0.032 63.220 63.200 -0.021 0.000 0.917 567 S HN -0.354 8.368 8.310 -0.028 -0.429 0.492 568 G N 4.256 113.014 108.800 -0.070 0.000 2.198 568 G HA2 -0.409 3.482 3.960 -0.114 0.000 0.260 568 G HA3 -0.409 3.491 3.960 -0.100 0.000 0.260 568 G C -1.419 173.363 174.900 -0.197 0.000 1.025 568 G CA 0.476 45.507 45.100 -0.116 0.000 0.769 568 G HN 0.576 8.834 8.290 -0.053 0.000 0.507 569 M N -4.079 115.414 119.600 -0.179 0.000 2.849 569 M HA 0.437 4.706 4.480 -0.352 0.000 0.299 569 M C -1.524 174.621 176.300 -0.258 0.000 1.223 569 M CA -1.218 53.944 55.300 -0.230 0.000 0.856 569 M CB 2.414 34.962 32.600 -0.086 0.000 1.680 569 M HN -0.966 7.232 8.290 -0.118 0.021 0.506 570 F N -3.174 116.742 119.950 -0.057 0.000 2.382 570 F HA 0.184 4.845 4.527 -0.063 -0.173 0.331 570 F C 1.320 177.102 175.800 -0.029 0.000 1.121 570 F CA 0.442 58.404 58.000 -0.064 0.000 1.183 570 F CB 1.057 39.998 39.000 -0.098 0.000 1.207 570 F HN 0.022 8.338 8.300 0.026 0.000 0.555 571 W N 4.150 125.421 121.300 -0.047 0.000 2.465 571 W HA -0.185 4.388 4.660 -0.145 0.000 0.268 571 W C 1.097 177.522 176.519 -0.156 0.000 1.242 571 W CA 3.212 60.441 57.345 -0.194 0.000 1.248 571 W CB 0.290 29.438 29.460 -0.520 0.000 1.118 571 W HN 0.983 9.357 8.180 0.280 -0.026 0.587 572 V N -6.100 113.736 119.914 -0.129 0.000 3.141 572 V HA -0.239 3.615 4.120 -0.443 0.000 0.265 572 V C 0.306 176.280 176.094 -0.200 0.000 1.126 572 V CA 2.196 64.344 62.300 -0.254 0.000 1.141 572 V CB -0.541 31.169 31.823 -0.188 0.000 0.743 572 V HN -0.301 8.120 8.190 0.057 -0.198 0.492 573 D N 0.891 121.230 120.400 -0.102 0.000 2.431 573 D HA 0.026 4.612 4.640 -0.091 0.000 0.235 573 D C 1.261 177.486 176.300 -0.125 0.000 0.980 573 D CA 2.764 56.717 54.000 -0.078 0.000 0.912 573 D CB 1.479 42.282 40.800 0.006 0.000 1.056 573 D HN -0.386 7.784 8.370 -0.025 0.186 0.494 574 A N 0.899 123.644 122.820 -0.124 0.000 1.883 574 A HA -0.288 3.976 4.320 -0.093 0.000 0.217 574 A C 1.286 178.731 177.584 -0.232 0.000 1.186 574 A CA 3.328 55.290 52.037 -0.126 0.000 0.624 574 A CB -0.502 18.489 19.000 -0.014 0.000 0.822 574 A HN 0.025 8.129 8.150 -0.077 0.000 0.444 575 E N -1.821 118.110 120.200 -0.448 0.000 2.023 575 E HA -0.206 3.912 4.350 -0.386 0.000 0.196 575 E C -0.928 175.502 176.600 -0.283 0.000 1.003 575 E CA 4.843 60.946 56.400 -0.495 0.000 0.809 575 E CB -1.483 27.672 29.700 -0.908 0.000 0.755 575 E HN -0.066 7.939 8.360 -0.591 0.000 0.449 576 P HA -0.129 4.215 4.420 -0.126 0.000 0.217 576 P C 2.051 179.296 177.300 -0.092 0.000 1.150 576 P CA 2.564 65.577 63.100 -0.146 0.000 0.832 576 P CB -0.648 30.970 31.700 -0.136 0.000 0.787 577 R N -1.949 118.493 120.500 -0.098 0.000 2.081 577 R HA -0.214 4.104 4.340 -0.036 0.000 0.235 577 R C 2.616 178.895 176.300 -0.035 0.000 1.131 577 R CA 2.554 58.620 56.100 -0.056 0.000 0.960 577 R CB -0.637 29.630 30.300 -0.054 0.000 0.856 577 R HN -0.484 7.696 8.270 -0.129 0.013 0.436 578 L N -2.785 118.391 121.223 -0.079 0.000 2.056 578 L HA -0.217 4.125 4.340 0.003 0.000 0.207 578 L C 1.922 178.846 176.870 0.090 0.000 1.078 578 L CA 3.175 57.979 54.840 -0.059 0.000 0.749 578 L CB -1.210 40.653 42.059 -0.327 0.000 0.901 578 L HN -0.072 8.080 8.230 -0.129 0.000 0.433 579 R N -0.613 119.919 120.500 0.052 0.000 2.075 579 R HA -0.315 4.158 4.340 0.221 0.000 0.232 579 R C 3.033 179.382 176.300 0.082 0.000 1.126 579 R CA 3.106 59.272 56.100 0.111 0.000 0.963 579 R CB -0.347 29.981 30.300 0.047 0.000 0.858 579 R HN 0.064 8.315 8.270 -0.032 0.000 0.435 580 A N 0.597 123.440 122.820 0.038 0.000 1.933 580 A HA -0.151 4.182 4.320 0.021 0.000 0.218 580 A C 1.412 179.022 177.584 0.043 0.000 1.175 580 A CA 2.736 54.789 52.037 0.026 0.000 0.628 580 A CB -0.391 18.611 19.000 0.005 0.000 0.814 580 A HN 0.239 8.290 8.150 0.013 0.106 0.444 581 L N -6.710 114.555 121.223 0.070 0.000 2.599 581 L HA 0.199 4.569 4.340 0.049 0.000 0.230 581 L C 0.560 177.477 176.870 0.079 0.000 1.141 581 L CA -0.484 54.403 54.840 0.078 0.000 0.877 581 L CB -0.624 41.498 42.059 0.105 0.000 1.009 581 L HN -0.478 7.782 8.230 0.077 0.016 0.447 582 G N -2.597 106.259 108.800 0.094 0.000 2.204 582 G HA2 -0.396 3.596 3.960 0.053 0.000 0.244 582 G HA3 -0.396 3.565 3.960 0.001 0.000 0.244 582 G C -1.172 173.784 174.900 0.095 0.000 1.062 582 G CA -0.331 44.803 45.100 0.058 0.000 0.798 582 G HN -0.565 7.595 8.290 0.106 0.194 0.496 583 W N 1.032 122.339 121.300 0.011 0.000 2.266 583 W HA -0.025 4.674 4.660 0.065 0.000 0.317 583 W C -1.686 174.858 176.519 0.041 0.000 1.310 583 W CA 0.641 58.019 57.345 0.054 0.000 1.207 583 W CB 0.813 30.330 29.460 0.094 0.000 1.199 583 W HN -0.479 7.909 8.180 0.348 0.000 0.544 584 T N 9.887 123.990 114.554 -0.751 0.000 3.160 584 T HA 0.234 4.095 4.350 -0.815 0.000 0.344 584 T C -1.823 172.281 174.700 -0.993 0.000 0.981 584 T CA -0.056 61.572 62.100 -0.786 0.000 1.170 584 T CB 1.635 70.306 68.868 -0.327 0.000 1.016 584 T HN 0.065 7.854 8.240 -0.752 0.000 0.492 585 G N 2.146 109.986 108.800 -1.599 0.000 3.198 585 G HA2 0.298 3.990 3.960 -0.446 0.000 0.166 585 G HA3 0.298 4.013 3.960 -0.636 -0.137 0.166 585 G C -2.340 172.339 174.900 -0.368 0.000 1.134 585 G CA -0.570 44.062 45.100 -0.780 0.000 0.941 585 G HN -0.342 6.312 8.290 -2.726 0.000 0.639 586 M N 1.426 121.082 119.600 0.094 0.000 2.243 586 M HA 0.224 4.826 4.480 0.203 0.000 0.324 586 M C -1.635 174.978 176.300 0.522 0.000 1.031 586 M CA -0.504 54.954 55.300 0.264 0.000 0.949 586 M CB 2.770 35.460 32.600 0.151 0.000 1.615 586 M HN -0.013 8.404 8.290 0.213 0.000 0.430 587 L N 3.696 125.212 121.223 0.488 0.000 2.307 587 L HA 0.470 4.970 4.340 0.266 0.000 0.284 587 L C -0.962 176.010 176.870 0.170 0.000 1.023 587 L CA -1.009 54.029 54.840 0.331 0.000 0.810 587 L CB 1.819 44.078 42.059 0.333 0.000 1.231 587 L HN 0.357 8.829 8.230 0.403 0.000 0.423 588 D N 7.570 128.020 120.400 0.084 0.000 2.443 588 D HA 0.082 4.743 4.640 0.035 0.000 0.221 588 D C -1.471 174.791 176.300 -0.063 0.000 1.097 588 D CA -0.351 53.658 54.000 0.016 0.000 0.865 588 D CB 0.564 41.365 40.800 0.002 0.000 1.034 588 D HN 0.043 8.453 8.370 0.066 0.000 0.511 589 K N 7.647 128.005 120.400 -0.069 0.000 2.367 589 K HA 0.288 4.429 4.320 -0.298 0.000 0.263 589 K C -0.748 175.734 176.600 -0.197 0.000 1.000 589 K CA -1.395 54.783 56.287 -0.183 0.000 0.891 589 K CB 0.962 33.397 32.500 -0.110 0.000 1.117 589 K HN -0.167 8.075 8.250 -0.014 0.000 0.443 590 G N 2.988 111.607 108.800 -0.301 0.000 2.714 590 G HA2 0.026 3.898 3.960 -0.147 0.000 0.197 590 G HA3 0.026 3.854 3.960 -0.220 0.000 0.197 590 G C -1.376 173.367 174.900 -0.260 0.000 1.449 590 G CA -0.743 44.218 45.100 -0.231 0.000 1.065 590 G HN -0.049 7.989 8.290 -0.420 0.000 0.575 591 A N -0.765 121.930 122.820 -0.209 0.000 2.371 591 A HA 0.019 4.259 4.320 -0.133 0.000 0.257 591 A C -0.800 176.644 177.584 -0.232 0.000 1.089 591 A CA -0.079 51.857 52.037 -0.169 0.000 0.794 591 A CB 0.900 19.837 19.000 -0.106 0.000 1.029 591 A HN -0.015 8.028 8.150 -0.178 0.000 0.488 592 D N 2.118 122.426 120.400 -0.153 0.000 2.312 592 D HA 0.227 4.912 4.640 -0.212 -0.173 0.252 592 D C -0.848 175.417 176.300 -0.059 0.000 1.150 592 D CA 0.229 54.164 54.000 -0.109 0.000 0.870 592 D CB 1.024 41.830 40.800 0.010 0.000 1.153 592 D HN 0.004 8.315 8.370 -0.098 0.000 0.457 593 V N 4.364 124.248 119.914 -0.050 0.000 2.443 593 V HA 0.133 4.243 4.120 -0.017 0.000 0.293 593 V C -1.488 174.620 176.094 0.023 0.000 1.021 593 V CA -1.955 60.332 62.300 -0.021 0.000 0.848 593 V CB 2.095 33.891 31.823 -0.044 0.000 0.998 593 V HN 0.691 8.706 8.190 -0.058 0.140 0.424 594 D N 6.169 126.588 120.400 0.032 0.000 2.344 594 D HA -0.076 4.608 4.640 0.074 0.000 0.253 594 D C -0.986 175.339 176.300 0.041 0.000 1.255 594 D CA 0.259 54.288 54.000 0.049 0.000 0.894 594 D CB -0.325 40.499 40.800 0.041 0.000 1.067 594 D HN 0.331 8.713 8.370 0.021 0.000 0.492 595 A N 3.899 126.753 122.820 0.055 0.000 2.456 595 A HA 0.166 4.505 4.320 0.032 0.000 0.237 595 A C -0.878 176.739 177.584 0.055 0.000 1.217 595 A CA 0.295 52.359 52.037 0.046 0.000 0.962 595 A CB 1.338 20.363 19.000 0.041 0.000 1.079 595 A HN 0.273 8.470 8.150 0.078 0.000 0.536 596 G N -1.598 107.245 108.800 0.072 0.000 2.384 596 G HA2 -0.156 3.834 3.960 0.050 0.000 0.668 596 G HA3 -0.156 3.839 3.960 0.058 0.000 0.668 596 G C 0.588 175.559 174.900 0.118 0.000 1.280 596 G CA -1.015 44.127 45.100 0.070 0.000 0.992 596 G HN -0.850 7.489 8.290 0.082 0.000 0.512 597 G N -2.259 106.604 108.800 0.104 0.000 2.442 597 G HA2 -0.246 3.811 3.960 0.161 0.000 0.219 597 G HA3 -0.246 3.786 3.960 0.119 0.000 0.219 597 G C 1.286 176.377 174.900 0.317 0.000 1.141 597 G CA 1.636 46.848 45.100 0.187 0.000 0.763 597 G HN 0.365 8.694 8.290 0.065 0.000 0.554 598 S N -1.703 114.097 115.700 0.167 0.000 2.442 598 S HA -0.293 4.236 4.470 0.099 0.000 0.236 598 S C 0.688 175.346 174.600 0.096 0.000 1.007 598 S CA 2.097 60.363 58.200 0.110 0.000 0.965 598 S CB -0.289 62.949 63.200 0.063 0.000 0.773 598 S HN 0.239 8.605 8.310 0.120 0.016 0.504 599 Q N -4.579 115.304 119.800 0.139 0.000 2.247 599 Q HA 0.214 4.606 4.340 0.085 0.000 0.211 599 Q C -1.194 174.923 176.000 0.195 0.000 0.861 599 Q CA -1.442 54.436 55.803 0.126 0.000 0.949 599 Q CB 1.187 29.986 28.738 0.102 0.000 1.115 599 Q HN -0.632 7.572 8.270 0.168 0.167 0.507 600 H N 0.102 119.269 119.070 0.161 0.000 3.160 600 H HA -0.011 4.904 4.556 0.193 -0.244 0.257 600 H C -0.042 175.482 175.328 0.326 0.000 1.140 600 H CA 0.658 56.834 56.048 0.213 0.000 1.492 600 H CB -0.895 28.974 29.762 0.177 0.000 1.529 600 H HN -0.795 7.546 8.280 0.377 0.166 0.490 601 N N 1.993 120.856 118.700 0.271 0.000 2.765 601 N HA -0.479 4.346 4.740 0.142 0.000 0.248 601 N C -1.381 174.262 175.510 0.222 0.000 1.063 601 N CA 1.958 55.133 53.050 0.208 0.000 0.862 601 N CB -0.216 38.362 38.487 0.151 0.000 1.145 601 N HN -0.027 8.446 8.380 0.334 0.107 0.581 602 R N -3.027 117.531 120.500 0.097 0.000 2.490 602 R HA 0.146 4.514 4.340 -0.247 -0.177 0.280 602 R C 0.226 176.545 176.300 0.032 0.000 1.077 602 R CA -0.469 55.571 56.100 -0.100 0.000 1.065 602 R CB 0.794 30.961 30.300 -0.221 0.000 1.003 602 R HN -0.508 7.711 8.270 0.099 0.110 0.470 603 V N 3.678 123.587 119.914 -0.008 0.000 2.585 603 V HA 0.021 4.406 4.120 0.058 -0.230 0.296 603 V C 0.832 176.920 176.094 -0.012 0.000 1.035 603 V CA 1.909 64.214 62.300 0.009 0.000 1.084 603 V CB -0.288 31.524 31.823 -0.018 0.000 0.953 603 V HN 0.652 8.689 8.190 -0.075 0.107 0.483 604 V N 9.031 128.944 119.914 -0.002 0.000 2.426 604 V HA -0.009 4.149 4.120 0.063 0.000 0.242 604 V C 0.221 176.412 176.094 0.162 0.000 1.036 604 V CA 2.214 64.565 62.300 0.086 0.000 1.044 604 V CB 0.698 32.627 31.823 0.175 0.000 0.688 604 V HN 0.822 8.880 8.190 -0.049 0.102 0.462 605 Y N -6.909 113.383 120.300 -0.013 0.000 2.592 605 Y HA 0.368 4.907 4.550 -0.018 0.000 0.334 605 Y C -2.837 173.058 175.900 -0.010 0.000 1.136 605 Y CA -2.270 55.820 58.100 -0.015 0.000 1.042 605 Y CB 1.355 39.804 38.460 -0.019 0.000 1.325 605 Y HN -0.761 7.379 8.280 -0.235 0.000 0.457 606 Q N 1.485 121.297 119.800 0.020 0.000 2.357 606 Q HA 0.443 4.837 4.340 -0.201 -0.174 0.266 606 Q C -0.416 175.640 176.000 0.094 0.000 1.021 606 Q CA -1.958 53.816 55.803 -0.047 0.000 0.784 606 Q CB 1.371 30.084 28.738 -0.043 0.000 1.243 606 Q HN 0.154 8.492 8.270 0.113 0.000 0.465 607 N N 6.450 125.226 118.700 0.127 0.000 2.037 607 N HA -0.214 4.686 4.740 0.266 0.000 0.196 607 N C -1.367 174.194 175.510 0.084 0.000 1.034 607 N CA 2.792 55.951 53.050 0.182 0.000 0.861 607 N CB -0.910 37.684 38.487 0.179 0.000 1.039 607 N HN 0.551 8.930 8.380 -0.002 0.000 0.427 608 P HA 0.366 4.793 4.420 0.010 0.000 0.287 608 P C -2.658 174.643 177.300 0.002 0.000 1.294 608 P CA -2.372 60.733 63.100 0.009 0.000 0.776 608 P CB 0.032 31.723 31.700 -0.016 0.000 0.889 609 P HA -0.094 4.332 4.420 0.010 0.000 0.268 609 P C -0.490 176.803 177.300 -0.012 0.000 1.204 609 P CA -0.625 62.475 63.100 0.001 0.000 0.768 609 P CB 0.486 32.187 31.700 0.001 0.000 0.842 610 A N 3.105 125.920 122.820 -0.009 0.000 2.488 610 A HA -0.349 3.960 4.320 -0.018 0.000 0.249 610 A C 0.751 178.329 177.584 -0.009 0.000 1.083 610 A CA 0.417 52.447 52.037 -0.012 0.000 0.768 610 A CB 0.188 19.183 19.000 -0.009 0.000 1.017 610 A HN 0.420 8.569 8.150 -0.003 0.000 0.496 611 G N 2.959 111.754 108.800 -0.009 0.000 2.201 611 G HA2 -0.303 3.658 3.960 0.002 0.000 0.212 611 G HA3 -0.303 3.656 3.960 -0.003 0.000 0.212 611 G C -0.556 174.339 174.900 -0.008 0.000 0.994 611 G CA -0.061 45.037 45.100 -0.004 0.000 0.644 611 G HN 0.362 8.644 8.290 -0.012 0.000 0.508 612 T N 2.442 116.984 114.554 -0.020 0.000 2.919 612 T HA 0.293 4.634 4.350 -0.014 0.000 0.282 612 T C -1.341 173.328 174.700 -0.051 0.000 1.020 612 T CA -2.321 59.763 62.100 -0.025 0.000 0.994 612 T CB 1.363 70.218 68.868 -0.023 0.000 1.180 612 T HN -0.539 7.629 8.240 -0.025 0.057 0.566 613 G N 0.748 109.516 108.800 -0.052 0.000 2.364 613 G HA2 0.252 4.204 3.960 -0.109 0.000 0.267 613 G HA3 0.252 4.181 3.960 -0.052 0.000 0.267 613 G C -0.774 174.037 174.900 -0.150 0.000 1.233 613 G CA -0.374 44.672 45.100 -0.090 0.000 0.885 613 G HN -0.023 8.248 8.290 -0.033 0.000 0.490 614 V N 0.765 120.495 119.914 -0.308 0.000 2.532 614 V HA 0.398 4.407 4.120 -0.184 0.000 0.295 614 V C -0.655 175.224 176.094 -0.359 0.000 1.041 614 V CA -2.951 59.144 62.300 -0.341 0.000 0.926 614 V CB 2.422 33.996 31.823 -0.414 0.000 0.992 614 V HN 0.766 8.583 8.190 -0.433 0.114 0.457 615 N N 3.898 122.509 118.700 -0.148 0.000 2.329 615 N HA -0.257 4.604 4.740 0.000 -0.120 0.237 615 N C 1.794 177.351 175.510 0.078 0.000 1.258 615 N CA 0.717 53.753 53.050 -0.023 0.000 0.866 615 N CB 0.404 38.901 38.487 0.017 0.000 1.102 615 N HN 0.302 8.619 8.380 -0.105 0.000 0.440 616 R N -0.047 120.565 120.500 0.186 0.000 2.170 616 R HA -0.355 4.329 4.340 0.574 0.000 0.242 616 R C 0.472 176.930 176.300 0.263 0.000 1.145 616 R CA 2.339 58.624 56.100 0.308 0.000 0.984 616 R CB -1.221 29.172 30.300 0.154 0.000 0.869 616 R HN 0.191 8.536 8.270 0.125 0.000 0.455 617 D N -2.668 117.823 120.400 0.153 0.000 2.149 617 D HA -0.168 4.482 4.640 0.017 0.000 0.201 617 D C 0.398 176.767 176.300 0.116 0.000 0.972 617 D CA 2.103 56.149 54.000 0.078 0.000 0.835 617 D CB 0.162 40.996 40.800 0.056 0.000 0.966 617 D HN -0.208 8.198 8.370 0.120 0.036 0.476 618 G N -2.388 106.546 108.800 0.224 0.000 2.137 618 G HA2 -0.404 3.715 3.960 0.188 0.000 0.237 618 G HA3 -0.404 3.870 3.960 0.524 0.000 0.237 618 G C -0.549 174.640 174.900 0.482 0.000 1.002 618 G CA -0.199 45.123 45.100 0.371 0.000 0.702 618 G HN -0.070 8.336 8.290 0.165 -0.016 0.515 619 I N 1.632 122.367 120.570 0.276 0.000 2.581 619 I HA -0.028 4.413 4.170 0.451 0.000 0.285 619 I C -1.124 175.129 176.117 0.226 0.000 1.129 619 I CA 0.044 61.519 61.300 0.291 0.000 1.397 619 I CB -0.530 37.569 38.000 0.166 0.000 1.399 619 I HN -0.735 7.758 8.210 0.171 -0.180 0.537 620 I N 10.540 131.254 120.570 0.240 0.000 2.382 620 I HA 0.328 4.530 4.170 0.052 0.000 0.286 620 I C -2.639 173.494 176.117 0.026 0.000 1.002 620 I CA -1.699 59.642 61.300 0.069 0.000 1.135 620 I CB 3.198 41.151 38.000 -0.078 0.000 1.288 620 I HN -0.197 8.241 8.210 0.379 0.000 0.448 621 T N 11.054 125.607 114.554 -0.002 0.000 2.756 621 T HA 0.396 4.722 4.350 -0.040 0.000 0.290 621 T C -1.898 172.637 174.700 -0.275 0.000 0.985 621 T CA -0.277 61.792 62.100 -0.051 0.000 0.955 621 T CB 0.146 69.055 68.868 0.068 0.000 0.930 621 T HN 0.394 8.644 8.240 0.018 0.000 0.451 622 L N 1.688 122.705 121.223 -0.344 0.000 2.393 622 L HA 1.161 5.268 4.340 -0.838 -0.269 0.260 622 L C -1.500 175.105 176.870 -0.442 0.000 1.002 622 L CA -2.248 52.300 54.840 -0.487 0.000 0.818 622 L CB 4.430 46.365 42.059 -0.207 0.000 1.369 622 L HN 0.093 8.189 8.230 -0.223 0.000 0.412 623 R N 0.416 120.645 120.500 -0.451 0.000 2.771 623 R HA 0.467 4.592 4.340 -0.359 0.000 0.274 623 R C -2.340 173.900 176.300 -0.099 0.000 0.987 623 R CA -1.492 54.431 56.100 -0.296 0.000 0.908 623 R CB 4.462 34.662 30.300 -0.167 0.000 1.213 623 R HN -0.045 7.925 8.270 -0.500 0.000 0.468 624 F N -1.141 118.695 119.950 -0.190 0.000 2.643 624 F HA 1.241 5.916 4.527 -0.078 -0.195 0.314 624 F C -1.378 174.375 175.800 -0.079 0.000 1.096 624 F CA -2.584 55.344 58.000 -0.120 0.000 0.953 624 F CB 3.279 42.203 39.000 -0.126 0.000 1.345 624 F HN 0.180 8.053 8.300 -0.712 0.000 0.468 625 G N -1.533 107.353 108.800 0.143 0.000 2.648 625 G HA2 0.096 4.021 3.960 -0.059 0.000 0.217 625 G HA3 0.096 4.195 3.960 0.102 -0.078 0.217 625 G C -1.460 173.514 174.900 0.123 0.000 1.386 625 G CA 0.351 45.486 45.100 0.057 0.000 0.920 625 G HN 0.071 8.511 8.290 0.249 0.000 0.540 626 Q N 0.000 119.958 119.800 0.263 0.000 2.315 626 Q HA 0.000 4.550 4.340 0.351 0.000 0.214 626 Q CA 0.000 55.972 55.803 0.282 0.000 1.022 626 Q CB 0.000 28.832 28.738 0.156 0.000 1.108 626 Q HN 0.000 8.424 8.270 0.256 0.000 0.481