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 2vuw_1_A DATA FIRST_RESID 470 DATA SEQUENCE KGPVPFSHCL PTEKLQRCEK IGEGVFGEVF QTIADHTPVA IKIIAIEGPD DATA SEQUENCE LVNGSHQKTF EEILPEIIIS KELSLLSGEV CNRTEGFIGL NSVHCVQGSY DATA SEQUENCE PPLLLKAWDH YNSTKGSAND RPDFFKDDQL FIVLEFEFGG IDLEQXRTKL DATA SEQUENCE SSLATAKSIL HQLTASLAVA EASLRFEHRD LHWGNVLLKK TSLKKLHYTL DATA SEQUENCE NGKSSTIPSC GLQVSIIDYT LSRLERDGIV VFCDVSXDED LFTGDGDYQF DATA SEQUENCE DIYRLXKKEN NNRWGEYHPY SNVLWLHYLT DKXLKQXTFK TKCNTPAXKQ DATA SEQUENCE IKRKIQEFHR TXLNFSSATD LLCQHSLFK 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 470 K HA 0.000 4.290 4.320 -0.051 0.000 0.191 470 K C 0.000 176.557 176.600 -0.072 0.000 0.988 470 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 470 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 471 G N 2.663 111.410 108.800 -0.088 0.000 2.712 471 G HA2 -0.088 3.821 3.960 -0.084 0.000 0.683 471 G HA3 -0.088 3.806 3.960 -0.109 0.000 0.683 471 G C -2.686 172.151 174.900 -0.105 0.000 1.320 471 G CA -0.950 44.092 45.100 -0.097 0.000 0.847 471 G HN -0.316 7.918 8.290 -0.093 0.000 0.553 472 P HA 0.212 4.705 4.420 -0.109 -0.138 0.272 472 P C -1.167 176.062 177.300 -0.119 0.000 1.230 472 P CA -0.802 62.234 63.100 -0.107 0.000 0.788 472 P CB 0.673 32.317 31.700 -0.094 0.000 0.949 473 V N -3.893 115.930 119.914 -0.152 0.000 2.994 473 V HA 0.629 4.657 4.120 -0.153 0.000 0.318 473 V C -2.179 173.826 176.094 -0.149 0.000 1.085 473 V CA -4.242 57.947 62.300 -0.184 0.000 0.998 473 V CB 1.061 32.662 31.823 -0.370 0.000 1.063 473 V HN 0.177 8.275 8.190 -0.153 0.000 0.447 474 P HA 0.351 4.921 4.420 -0.032 -0.170 0.274 474 P C 1.318 178.584 177.300 -0.058 0.000 1.246 474 P CA -1.202 61.877 63.100 -0.036 0.000 0.795 474 P CB 1.085 32.799 31.700 0.023 0.000 1.006 475 F N 0.150 120.042 119.950 -0.098 0.000 2.161 475 F HA -0.401 4.026 4.527 -0.167 0.000 0.300 475 F C 1.668 177.391 175.800 -0.129 0.000 1.089 475 F CA 4.753 62.659 58.000 -0.157 0.000 1.282 475 F CB -0.348 38.508 39.000 -0.240 0.000 1.010 475 F HN 0.601 9.045 8.300 0.240 0.000 0.485 476 S N -2.565 113.190 115.700 0.091 0.000 2.442 476 S HA -0.414 4.249 4.470 -0.005 -0.196 0.236 476 S C 1.320 175.911 174.600 -0.015 0.000 1.007 476 S CA 2.319 60.529 58.200 0.016 0.000 0.965 476 S CB -0.446 62.759 63.200 0.009 0.000 0.773 476 S HN -0.128 8.229 8.310 0.103 0.015 0.504 477 H N 2.827 121.835 119.070 -0.103 0.000 2.353 477 H HA -0.168 4.319 4.556 -0.114 0.000 0.300 477 H C 0.863 176.056 175.328 -0.224 0.000 1.090 477 H CA 2.941 58.896 56.048 -0.154 0.000 1.327 477 H CB 0.239 29.890 29.762 -0.186 0.000 1.383 477 H HN -0.528 7.784 8.280 0.093 0.023 0.508 478 C N -4.546 114.660 119.300 -0.156 0.000 2.504 478 C HA -0.076 4.214 4.460 -0.283 0.000 0.279 478 C C -0.945 173.970 174.990 -0.124 0.000 1.358 478 C CA 1.574 60.467 59.018 -0.209 0.000 1.747 478 C CB 2.033 29.661 27.740 -0.186 0.000 2.037 478 C HN -0.515 7.660 8.230 -0.091 0.000 0.503 479 L N -1.961 119.213 121.223 -0.083 0.000 2.495 479 L HA 0.455 4.749 4.340 -0.076 0.000 0.248 479 L C -2.284 174.541 176.870 -0.075 0.000 1.229 479 L CA -2.503 52.293 54.840 -0.074 0.000 0.942 479 L CB 0.427 42.441 42.059 -0.075 0.000 1.242 479 L HN -0.082 8.111 8.230 -0.062 0.000 0.484 480 P HA 0.083 4.524 4.420 -0.067 -0.061 0.270 480 P C 0.773 178.035 177.300 -0.063 0.000 1.227 480 P CA -0.671 62.385 63.100 -0.073 0.000 0.788 480 P CB 0.698 32.349 31.700 -0.081 0.000 0.926 481 T N 1.090 115.611 114.554 -0.054 0.000 2.665 481 T HA -0.459 3.856 4.350 -0.059 0.000 0.268 481 T C 1.882 176.552 174.700 -0.050 0.000 1.035 481 T CA 5.516 67.585 62.100 -0.052 0.000 1.151 481 T CB -0.012 68.831 68.868 -0.041 0.000 0.862 481 T HN 0.187 8.398 8.240 -0.049 0.000 0.438 482 E N 0.386 120.562 120.200 -0.041 0.000 2.072 482 E HA -0.251 4.255 4.350 -0.034 -0.177 0.191 482 E C 2.367 178.945 176.600 -0.038 0.000 0.985 482 E CA 3.231 59.611 56.400 -0.034 0.000 0.801 482 E CB -0.242 29.444 29.700 -0.023 0.000 0.750 482 E HN 0.283 8.619 8.360 -0.039 0.000 0.452 483 K N -0.401 119.974 120.400 -0.041 0.000 2.097 483 K HA -0.260 4.042 4.320 -0.030 0.000 0.205 483 K C 2.661 179.226 176.600 -0.058 0.000 1.050 483 K CA 2.860 59.123 56.287 -0.041 0.000 0.938 483 K CB -0.204 32.271 32.500 -0.042 0.000 0.718 483 K HN -0.731 7.493 8.250 -0.044 0.000 0.442 484 L N 0.197 121.374 121.223 -0.077 0.000 2.056 484 L HA -0.193 4.065 4.340 -0.137 0.000 0.207 484 L C 2.339 179.150 176.870 -0.098 0.000 1.078 484 L CA 2.720 57.492 54.840 -0.112 0.000 0.749 484 L CB -0.119 41.867 42.059 -0.122 0.000 0.901 484 L HN -0.006 8.180 8.230 -0.073 0.000 0.433 485 Q N -2.773 116.985 119.800 -0.071 0.000 2.291 485 Q HA -0.296 4.007 4.340 -0.061 0.000 0.205 485 Q C 1.593 177.564 176.000 -0.048 0.000 0.970 485 Q CA 2.872 58.640 55.803 -0.057 0.000 0.876 485 Q CB -0.023 28.687 28.738 -0.046 0.000 0.935 485 Q HN -0.220 8.011 8.270 -0.064 0.000 0.455 486 R N -3.639 116.835 120.500 -0.044 0.000 2.317 486 R HA 0.080 4.399 4.340 -0.035 0.000 0.208 486 R C -0.169 176.120 176.300 -0.018 0.000 0.914 486 R CA -0.280 55.800 56.100 -0.034 0.000 1.060 486 R CB 0.467 30.748 30.300 -0.031 0.000 1.015 486 R HN -0.749 7.461 8.270 -0.046 0.033 0.498 487 C N 0.159 119.446 119.300 -0.022 0.000 2.632 487 C HA -0.020 4.701 4.460 0.061 -0.225 0.415 487 C C -0.411 174.641 174.990 0.103 0.000 1.332 487 C CA 1.617 60.652 59.018 0.029 0.000 1.874 487 C CB 0.270 27.957 27.740 -0.087 0.000 2.596 487 C HN -0.708 7.440 8.230 -0.049 0.052 0.590 488 E N 3.588 123.899 120.200 0.184 0.000 2.248 488 E HA 0.281 4.759 4.350 0.215 0.000 0.267 488 E C -1.574 175.212 176.600 0.310 0.000 0.877 488 E CA -1.919 54.609 56.400 0.214 0.000 0.759 488 E CB 3.794 33.557 29.700 0.106 0.000 1.182 488 E HN 0.367 8.834 8.360 0.179 0.000 0.418 489 K N 4.526 125.098 120.400 0.286 0.000 2.368 489 K HA -0.155 4.118 4.320 -0.273 -0.117 0.282 489 K C 0.187 176.785 176.600 -0.004 0.000 1.035 489 K CA 1.034 57.282 56.287 -0.064 0.000 0.973 489 K CB 0.312 32.638 32.500 -0.289 0.000 0.957 489 K HN 0.568 9.006 8.250 0.313 0.000 0.474 490 I N -0.485 120.030 120.570 -0.092 0.000 4.327 490 I HA 0.295 4.576 4.170 0.184 0.000 0.331 490 I C -1.009 175.124 176.117 0.027 0.000 1.348 490 I CA -0.828 60.515 61.300 0.072 0.000 1.152 490 I CB 1.699 39.788 38.000 0.148 0.000 1.151 490 I HN 0.424 8.516 8.210 -0.197 0.000 0.410 491 G N -1.131 107.555 108.800 -0.190 0.000 2.523 491 G HA2 0.276 4.236 3.960 -0.000 0.000 0.291 491 G HA3 0.276 4.205 3.960 -0.051 0.000 0.291 491 G C -3.358 171.397 174.900 -0.240 0.000 1.450 491 G CA 0.177 45.208 45.100 -0.115 0.000 0.790 491 G HN -0.672 7.406 8.290 -0.354 0.000 0.496 492 E N -2.781 117.334 120.200 -0.141 0.000 2.429 492 E HA 0.584 4.841 4.350 -0.355 -0.119 0.280 492 E C -2.074 174.315 176.600 -0.352 0.000 1.068 492 E CA -1.638 54.583 56.400 -0.298 0.000 0.837 492 E CB 3.292 32.799 29.700 -0.321 0.000 1.357 492 E HN -0.072 8.263 8.360 -0.042 0.000 0.455 493 G N -2.259 106.023 108.800 -0.864 0.000 2.606 493 G HA2 0.188 3.817 3.960 -0.552 0.000 0.300 493 G HA3 0.188 4.003 3.960 -0.242 0.000 0.300 493 G C -0.654 173.907 174.900 -0.565 0.000 1.360 493 G CA 0.178 44.917 45.100 -0.601 0.000 0.783 493 G HN -0.208 7.415 8.290 -1.111 0.000 0.484 494 V N 0.147 119.944 119.914 -0.195 0.000 2.469 494 V HA -0.302 3.773 4.120 -0.074 0.000 0.251 494 V C 1.173 177.232 176.094 -0.059 0.000 1.064 494 V CA 2.573 64.828 62.300 -0.076 0.000 1.066 494 V CB 0.214 32.052 31.823 0.025 0.000 0.667 494 V HN 0.360 8.509 8.190 -0.068 0.000 0.461 495 F N -6.769 113.239 119.950 0.096 0.000 2.269 495 F HA -0.234 4.357 4.527 0.106 0.000 0.301 495 F C 0.010 175.906 175.800 0.159 0.000 1.082 495 F CA 0.937 59.004 58.000 0.112 0.000 1.360 495 F CB -0.208 38.849 39.000 0.094 0.000 1.041 495 F HN -0.660 7.622 8.300 0.001 0.019 0.512 496 G N -3.569 105.012 108.800 -0.365 0.000 2.292 496 G HA2 -0.152 4.180 3.960 0.343 0.000 0.194 496 G HA3 -0.152 3.865 3.960 0.095 0.000 0.194 496 G C -2.648 172.129 174.900 -0.206 0.000 1.329 496 G CA -0.388 44.715 45.100 0.005 0.000 1.100 496 G HN -0.675 6.955 8.290 -0.859 0.144 0.470 497 E N -0.033 120.299 120.200 0.220 0.000 2.317 497 E HA 0.622 4.908 4.350 -0.106 0.000 0.270 497 E C -1.871 174.832 176.600 0.171 0.000 0.885 497 E CA -1.822 54.628 56.400 0.084 0.000 0.760 497 E CB 4.606 34.416 29.700 0.182 0.000 1.227 497 E HN -0.408 8.208 8.360 0.426 0.000 0.434 498 V N 0.663 120.510 119.914 -0.112 0.000 2.531 498 V HA 0.718 5.150 4.120 0.161 -0.215 0.301 498 V C -1.305 174.602 176.094 -0.312 0.000 1.034 498 V CA -1.591 60.697 62.300 -0.020 0.000 0.865 498 V CB 1.481 33.373 31.823 0.114 0.000 0.995 498 V HN 0.350 8.370 8.190 -0.283 0.000 0.424 499 F N 6.001 126.043 119.950 0.153 0.000 2.522 499 F HA 0.541 5.268 4.527 0.098 -0.141 0.324 499 F C -1.536 174.337 175.800 0.122 0.000 1.077 499 F CA -1.664 56.405 58.000 0.115 0.000 0.944 499 F CB 4.184 43.240 39.000 0.095 0.000 1.175 499 F HN 0.607 9.115 8.300 0.346 0.000 0.468 500 Q N 2.025 121.982 119.800 0.262 0.000 2.274 500 Q HA 0.928 5.571 4.340 0.182 -0.194 0.260 500 Q C -1.091 174.969 176.000 0.099 0.000 0.974 500 Q CA -1.224 54.670 55.803 0.152 0.000 0.876 500 Q CB 3.599 32.356 28.738 0.031 0.000 1.297 500 Q HN 0.681 9.098 8.270 0.244 0.000 0.446 501 T N 3.396 117.983 114.554 0.055 0.000 2.598 501 T HA 0.416 4.765 4.350 -0.002 0.000 0.289 501 T C -2.281 172.414 174.700 -0.009 0.000 1.056 501 T CA -2.846 59.264 62.100 0.016 0.000 1.088 501 T CB 2.296 71.179 68.868 0.025 0.000 1.519 501 T HN 0.256 8.536 8.240 0.066 0.000 0.488 502 I N -0.618 119.950 120.570 -0.003 0.000 2.692 502 I HA 0.436 4.790 4.170 0.010 -0.179 0.293 502 I C -3.137 172.993 176.117 0.021 0.000 1.200 502 I CA -1.534 59.769 61.300 0.004 0.000 1.036 502 I CB 3.750 41.742 38.000 -0.014 0.000 1.258 502 I HN 0.287 8.495 8.210 -0.003 0.000 0.421 503 A N 6.707 129.550 122.820 0.038 0.000 2.520 503 A HA 0.359 4.702 4.320 0.038 0.000 0.298 503 A C -1.553 176.059 177.584 0.048 0.000 1.051 503 A CA -0.322 51.736 52.037 0.035 0.000 0.690 503 A CB 2.758 21.766 19.000 0.013 0.000 1.281 503 A HN 0.275 8.452 8.150 0.044 0.000 0.402 504 D N 2.166 122.588 120.400 0.037 0.000 2.697 504 D HA -0.342 4.237 4.640 -0.103 0.000 0.235 504 D C -0.579 175.764 176.300 0.071 0.000 1.167 504 D CA 1.857 55.841 54.000 -0.027 0.000 0.656 504 D CB -1.916 38.852 40.800 -0.053 0.000 1.025 504 D HN 0.479 8.869 8.370 0.034 0.000 0.419 505 H N -9.289 109.778 119.070 -0.004 0.000 3.047 505 H HA -0.334 4.217 4.556 -0.009 0.000 0.263 505 H C -0.829 174.500 175.328 0.002 0.000 1.168 505 H CA 0.872 56.918 56.048 -0.004 0.000 1.152 505 H CB -1.063 28.699 29.762 -0.000 0.000 1.278 505 H HN 0.355 8.813 8.280 0.310 0.008 0.339 506 T N 1.666 116.292 114.554 0.120 0.000 2.840 506 T HA 0.372 4.772 4.350 0.084 0.000 0.287 506 T C -2.160 172.576 174.700 0.060 0.000 0.991 506 T CA -2.081 60.070 62.100 0.085 0.000 0.964 506 T CB 1.367 70.284 68.868 0.083 0.000 0.954 506 T HN -0.550 7.606 8.240 0.109 0.149 0.438 507 P HA 0.379 4.978 4.420 -0.047 -0.208 0.271 507 P C -1.068 176.297 177.300 0.108 0.000 1.218 507 P CA -0.724 62.368 63.100 -0.015 0.000 0.780 507 P CB 0.614 32.197 31.700 -0.196 0.000 0.901 508 V N -5.594 114.388 119.914 0.113 0.000 3.114 508 V HA 0.559 4.923 4.120 0.271 -0.082 0.308 508 V C -2.255 173.990 176.094 0.252 0.000 1.168 508 V CA -3.106 59.319 62.300 0.208 0.000 1.015 508 V CB 3.934 35.847 31.823 0.151 0.000 1.050 508 V HN 0.093 8.318 8.190 0.059 0.000 0.433 509 A N 1.068 124.085 122.820 0.328 0.000 2.318 509 A HA 0.825 5.512 4.320 0.318 -0.175 0.324 509 A C -1.654 176.129 177.584 0.331 0.000 1.170 509 A CA -2.220 50.023 52.037 0.342 0.000 0.810 509 A CB 3.114 22.326 19.000 0.354 0.000 1.198 509 A HN 0.378 8.733 8.150 0.342 0.000 0.484 510 I N 3.031 123.789 120.570 0.313 0.000 2.382 510 I HA 0.540 5.024 4.170 0.253 -0.162 0.286 510 I C -1.366 174.961 176.117 0.350 0.000 1.002 510 I CA -2.275 59.203 61.300 0.296 0.000 1.135 510 I CB 1.713 39.871 38.000 0.263 0.000 1.288 510 I HN 0.808 9.210 8.210 0.320 0.000 0.448 511 K N 8.646 129.249 120.400 0.337 0.000 2.240 511 K HA 0.582 5.290 4.320 0.364 -0.170 0.271 511 K C -1.680 175.113 176.600 0.322 0.000 1.018 511 K CA -1.382 55.109 56.287 0.341 0.000 0.874 511 K CB 2.273 34.964 32.500 0.319 0.000 1.098 511 K HN 0.596 9.035 8.250 0.315 0.000 0.458 512 I N 6.873 127.686 120.570 0.404 0.000 2.382 512 I HA 0.502 5.034 4.170 0.314 -0.174 0.286 512 I C -1.513 174.894 176.117 0.483 0.000 1.002 512 I CA -1.106 60.429 61.300 0.392 0.000 1.135 512 I CB 2.077 40.309 38.000 0.386 0.000 1.288 512 I HN 0.435 8.922 8.210 0.463 0.000 0.448 513 I N 7.162 127.997 120.570 0.443 0.000 2.410 513 I HA 0.459 5.039 4.170 0.453 -0.138 0.286 513 I C -1.238 175.096 176.117 0.361 0.000 1.009 513 I CA -1.860 59.687 61.300 0.411 0.000 1.111 513 I CB 3.447 41.622 38.000 0.292 0.000 1.262 513 I HN 0.176 8.618 8.210 0.387 0.000 0.443 514 A N 8.439 131.418 122.820 0.265 0.000 2.488 514 A HA 0.097 4.143 4.320 -0.685 -0.137 0.249 514 A C -0.752 176.783 177.584 -0.082 0.000 1.083 514 A CA -0.013 51.895 52.037 -0.216 0.000 0.768 514 A CB 0.334 19.188 19.000 -0.242 0.000 1.017 514 A HN 0.422 8.774 8.150 0.335 0.000 0.496 515 I N -4.728 115.742 120.570 -0.168 0.000 2.892 515 I HA 0.666 4.961 4.170 0.016 -0.116 0.306 515 I C -0.642 175.448 176.117 -0.045 0.000 1.078 515 I CA -2.079 59.202 61.300 -0.033 0.000 1.032 515 I CB 4.018 42.047 38.000 0.048 0.000 1.229 515 I HN -0.227 7.794 8.210 -0.315 0.000 0.435 516 E N -3.111 117.102 120.200 0.021 0.000 3.916 516 E HA -0.393 3.984 4.350 0.044 0.000 0.331 516 E C -0.729 175.887 176.600 0.028 0.000 0.729 516 E CA 1.836 58.252 56.400 0.027 0.000 1.222 516 E CB -1.020 28.689 29.700 0.015 0.000 1.633 516 E HN 0.331 8.717 8.360 0.043 0.000 0.437 517 G N -1.401 107.421 108.800 0.037 0.000 2.491 517 G HA2 0.397 4.443 3.960 0.081 0.000 0.327 517 G HA3 0.397 4.392 3.960 0.057 0.000 0.327 517 G C -2.145 172.820 174.900 0.108 0.000 1.189 517 G CA -1.979 43.163 45.100 0.070 0.000 0.956 517 G HN -0.389 8.144 8.290 0.032 -0.224 0.491 518 P HA 0.166 4.669 4.420 0.138 0.000 0.252 518 P C -1.199 176.160 177.300 0.100 0.000 1.218 518 P CA -0.385 62.784 63.100 0.114 0.000 0.807 518 P CB 0.401 32.150 31.700 0.082 0.000 1.072 519 D N 0.269 120.729 120.400 0.101 0.000 2.382 519 D HA -0.045 4.580 4.640 -0.025 0.000 0.245 519 D C -0.723 175.576 176.300 -0.002 0.000 1.120 519 D CA 0.492 54.514 54.000 0.036 0.000 0.890 519 D CB 0.500 41.362 40.800 0.102 0.000 1.201 519 D HN -0.118 8.335 8.370 0.139 0.000 0.433 520 L N 0.090 121.233 121.223 -0.134 0.000 2.456 520 L HA -0.108 4.268 4.340 -0.183 -0.145 0.272 520 L C 0.201 177.022 176.870 -0.081 0.000 1.189 520 L CA 0.525 55.263 54.840 -0.170 0.000 0.846 520 L CB 0.562 42.478 42.059 -0.239 0.000 1.111 520 L HN 0.249 8.377 8.230 -0.169 0.000 0.475 521 V N 2.168 122.096 119.914 0.023 0.000 2.482 521 V HA 0.189 4.402 4.120 0.155 0.000 0.295 521 V C -0.422 175.721 176.094 0.082 0.000 1.026 521 V CA -1.892 60.498 62.300 0.149 0.000 0.856 521 V CB 1.444 33.466 31.823 0.330 0.000 1.001 521 V HN 0.518 8.716 8.190 0.012 0.000 0.424 522 N N 7.013 125.745 118.700 0.054 0.000 2.708 522 N HA -0.368 4.459 4.740 0.025 -0.072 0.249 522 N C 0.024 175.531 175.510 -0.005 0.000 1.097 522 N CA 1.465 54.533 53.050 0.030 0.000 0.710 522 N CB -1.662 36.852 38.487 0.045 0.000 1.032 522 N HN 0.956 9.621 8.380 0.052 -0.254 0.551 523 G N -6.618 102.156 108.800 -0.044 0.000 2.195 523 G HA2 -0.370 3.563 3.960 -0.045 0.000 0.246 523 G HA3 -0.370 3.538 3.960 -0.087 0.000 0.246 523 G C -0.745 174.112 174.900 -0.071 0.000 0.984 523 G CA 0.234 45.296 45.100 -0.063 0.000 0.633 523 G HN 0.431 8.654 8.290 -0.065 0.028 0.525 524 S N -0.033 115.637 115.700 -0.049 0.000 2.599 524 S HA 0.359 4.803 4.470 -0.043 0.000 0.294 524 S C -1.513 173.059 174.600 -0.046 0.000 1.094 524 S CA -1.334 56.849 58.200 -0.028 0.000 0.931 524 S CB 2.454 65.677 63.200 0.039 0.000 1.093 524 S HN -0.525 7.719 8.310 -0.025 0.051 0.488 525 H N 1.037 120.126 119.070 0.031 0.000 2.771 525 H HA -0.077 4.505 4.556 0.043 0.000 0.364 525 H C 0.540 175.904 175.328 0.059 0.000 1.133 525 H CA 1.605 57.676 56.048 0.040 0.000 1.423 525 H CB 0.541 30.318 29.762 0.025 0.000 1.425 525 H HN 0.301 8.664 8.280 0.139 0.000 0.606 526 Q N 2.973 122.893 119.800 0.199 0.000 2.327 526 Q HA -0.017 4.411 4.340 0.146 0.000 0.254 526 Q C -0.225 175.845 176.000 0.117 0.000 0.952 526 Q CA 0.419 56.311 55.803 0.148 0.000 0.884 526 Q CB 0.825 29.639 28.738 0.128 0.000 1.224 526 Q HN 0.299 8.693 8.270 0.206 0.000 0.422 527 K N 2.968 123.422 120.400 0.091 0.000 2.414 527 K HA 0.069 4.608 4.320 0.044 -0.193 0.272 527 K C 1.181 177.811 176.600 0.051 0.000 0.993 527 K CA 0.066 56.386 56.287 0.055 0.000 0.964 527 K CB 0.708 33.231 32.500 0.038 0.000 0.925 527 K HN 0.125 8.435 8.250 0.100 0.000 0.487 528 T N -0.793 113.782 114.554 0.036 0.000 2.788 528 T HA 0.170 4.635 4.350 0.075 -0.071 0.280 528 T C 0.635 175.380 174.700 0.075 0.000 0.984 528 T CA -1.089 61.047 62.100 0.060 0.000 0.972 528 T CB 0.887 69.783 68.868 0.047 0.000 1.039 528 T HN 0.023 8.552 8.240 0.020 -0.277 0.530 529 F N 2.426 122.368 119.950 -0.014 0.000 2.126 529 F HA -0.459 4.061 4.527 -0.012 0.000 0.299 529 F C 0.861 176.651 175.800 -0.015 0.000 1.096 529 F CA 4.539 62.530 58.000 -0.015 0.000 1.255 529 F CB 0.425 39.413 39.000 -0.020 0.000 0.997 529 F HN 0.351 9.170 8.300 0.261 -0.363 0.479 530 E N -2.863 117.338 120.200 0.001 0.000 2.118 530 E HA -0.338 3.945 4.350 -0.112 0.000 0.195 530 E C 1.873 178.388 176.600 -0.142 0.000 0.992 530 E CA 2.502 58.855 56.400 -0.078 0.000 0.804 530 E CB -1.264 28.435 29.700 -0.002 0.000 0.741 530 E HN 0.489 8.916 8.360 0.111 0.000 0.458 531 E N -2.551 117.585 120.200 -0.106 0.000 2.150 531 E HA -0.227 4.052 4.350 -0.118 0.000 0.193 531 E C 1.054 177.573 176.600 -0.134 0.000 0.985 531 E CA 2.229 58.564 56.400 -0.108 0.000 0.814 531 E CB 0.431 30.093 29.700 -0.062 0.000 0.752 531 E HN -0.621 7.698 8.360 -0.067 0.000 0.466 532 I N -1.622 118.840 120.570 -0.181 0.000 3.226 532 I HA -0.082 4.022 4.170 -0.111 0.000 0.277 532 I C 0.560 176.524 176.117 -0.256 0.000 1.243 532 I CA -0.485 60.708 61.300 -0.178 0.000 1.459 532 I CB 0.647 38.566 38.000 -0.135 0.000 1.093 532 I HN -0.729 7.355 8.210 -0.209 0.000 0.453 533 L N 1.793 122.783 121.223 -0.389 0.000 2.079 533 L HA -0.190 3.892 4.340 -0.430 0.000 0.210 533 L C -1.592 175.174 176.870 -0.173 0.000 1.081 533 L CA 5.317 59.938 54.840 -0.365 0.000 0.752 533 L CB -2.654 39.176 42.059 -0.382 0.000 0.896 533 L HN -0.536 7.437 8.230 -0.428 0.000 0.433 534 P HA -0.298 4.095 4.420 -0.045 0.000 0.215 534 P C 1.685 178.975 177.300 -0.017 0.000 1.157 534 P CA 3.514 66.578 63.100 -0.059 0.000 0.868 534 P CB -0.609 31.052 31.700 -0.064 0.000 0.788 535 E N -1.247 118.944 120.200 -0.015 0.000 2.085 535 E HA -0.317 4.096 4.350 0.104 0.000 0.194 535 E C 2.326 178.970 176.600 0.072 0.000 0.994 535 E CA 2.918 59.349 56.400 0.053 0.000 0.801 535 E CB -0.384 29.332 29.700 0.028 0.000 0.743 535 E HN -0.511 7.823 8.360 -0.043 0.000 0.453 536 I N -0.443 120.127 120.570 -0.001 0.000 2.163 536 I HA -0.506 3.677 4.170 0.022 0.000 0.243 536 I C 2.122 178.237 176.117 -0.004 0.000 1.085 536 I CA 4.137 65.432 61.300 -0.008 0.000 1.347 536 I CB -0.069 37.890 38.000 -0.068 0.000 1.044 536 I HN -0.801 7.380 8.210 -0.048 0.000 0.408 537 I N -0.650 119.904 120.570 -0.026 0.000 2.226 537 I HA -0.564 3.586 4.170 -0.033 0.000 0.245 537 I C 2.038 178.132 176.117 -0.038 0.000 1.100 537 I CA 4.429 65.712 61.300 -0.030 0.000 1.374 537 I CB -0.118 37.864 38.000 -0.030 0.000 1.057 537 I HN -0.277 7.909 8.210 -0.040 0.000 0.413 538 I N -0.273 120.282 120.570 -0.025 0.000 2.252 538 I HA -0.616 3.471 4.170 -0.138 0.000 0.245 538 I C 1.864 177.865 176.117 -0.194 0.000 1.102 538 I CA 4.528 65.766 61.300 -0.103 0.000 1.385 538 I CB -0.439 37.540 38.000 -0.034 0.000 1.064 538 I HN 0.027 8.238 8.210 0.003 0.000 0.414 539 S N 0.489 116.222 115.700 0.055 0.000 2.365 539 S HA -0.409 4.256 4.470 0.325 0.000 0.225 539 S C 1.698 176.331 174.600 0.056 0.000 1.039 539 S CA 4.298 62.639 58.200 0.234 0.000 1.033 539 S CB -0.562 62.889 63.200 0.419 0.000 0.887 539 S HN -0.067 8.328 8.310 0.141 0.000 0.447 540 K N 0.970 121.369 120.400 -0.003 0.000 2.026 540 K HA -0.275 4.037 4.320 -0.013 0.000 0.208 540 K C 2.108 178.657 176.600 -0.085 0.000 1.048 540 K CA 2.532 58.798 56.287 -0.034 0.000 0.929 540 K CB -0.321 32.155 32.500 -0.039 0.000 0.713 540 K HN -0.730 7.520 8.250 -0.000 0.000 0.439 541 E N -1.171 118.947 120.200 -0.137 0.000 2.077 541 E HA -0.303 3.968 4.350 -0.132 0.000 0.193 541 E C 2.890 179.329 176.600 -0.270 0.000 0.989 541 E CA 2.796 59.088 56.400 -0.181 0.000 0.800 541 E CB -0.213 29.373 29.700 -0.190 0.000 0.746 541 E HN -0.526 7.753 8.360 -0.134 0.000 0.452 542 L N -2.465 118.503 121.223 -0.425 0.000 2.156 542 L HA -0.281 3.643 4.340 -0.692 0.000 0.208 542 L C 2.658 179.390 176.870 -0.229 0.000 1.095 542 L CA 2.602 57.076 54.840 -0.610 0.000 0.770 542 L CB -0.321 41.053 42.059 -1.142 0.000 0.914 542 L HN -0.111 7.854 8.230 -0.441 0.000 0.439 543 S N 1.010 116.661 115.700 -0.083 0.000 2.368 543 S HA -0.244 4.283 4.470 0.096 0.000 0.225 543 S C 2.097 176.703 174.600 0.010 0.000 1.030 543 S CA 3.315 61.538 58.200 0.038 0.000 0.999 543 S CB -0.217 63.028 63.200 0.075 0.000 0.844 543 S HN -0.461 7.795 8.310 -0.089 0.000 0.459 544 L N -0.371 120.831 121.223 -0.035 0.000 2.362 544 L HA -0.204 4.131 4.340 -0.008 0.000 0.219 544 L C 1.970 178.829 176.870 -0.019 0.000 1.134 544 L CA 1.838 56.662 54.840 -0.026 0.000 0.807 544 L CB -0.502 41.532 42.059 -0.042 0.000 0.927 544 L HN -0.374 7.810 8.230 -0.064 0.008 0.447 545 L N -2.118 119.087 121.223 -0.030 0.000 2.353 545 L HA -0.299 4.036 4.340 -0.009 0.000 0.220 545 L C 2.231 179.127 176.870 0.044 0.000 1.133 545 L CA 2.167 57.007 54.840 0.001 0.000 0.798 545 L CB -0.765 41.297 42.059 0.005 0.000 0.922 545 L HN -0.647 7.400 8.230 -0.059 0.148 0.445 546 S N -1.574 114.158 115.700 0.052 0.000 2.447 546 S HA -0.230 4.403 4.470 0.070 -0.121 0.233 546 S C 1.286 175.909 174.600 0.038 0.000 1.006 546 S CA 2.394 60.629 58.200 0.058 0.000 0.957 546 S CB 0.046 63.284 63.200 0.063 0.000 0.773 546 S HN -0.432 7.871 8.310 0.049 0.037 0.507 547 G N -1.610 107.205 108.800 0.025 0.000 3.324 547 G HA2 0.125 4.091 3.960 0.011 0.000 0.251 547 G HA3 0.125 4.094 3.960 0.015 0.000 0.251 547 G C -0.598 174.308 174.900 0.010 0.000 1.072 547 G CA -0.662 44.447 45.100 0.015 0.000 0.787 547 G HN -0.496 7.769 8.290 0.022 0.037 0.537 548 E N -0.044 120.164 120.200 0.014 0.000 2.359 548 E HA 0.074 4.427 4.350 0.005 0.000 0.255 548 E C -0.962 175.648 176.600 0.016 0.000 1.191 548 E CA -0.881 55.526 56.400 0.011 0.000 0.952 548 E CB 1.249 30.954 29.700 0.009 0.000 1.152 548 E HN -0.666 7.705 8.360 0.020 0.000 0.496 549 V N -0.922 119.001 119.914 0.015 0.000 2.950 549 V HA 0.029 4.157 4.120 0.013 0.000 0.231 549 V C 1.212 177.319 176.094 0.022 0.000 1.205 549 V CA 2.524 64.832 62.300 0.014 0.000 1.239 549 V CB 0.863 32.690 31.823 0.007 0.000 1.050 549 V HN 0.197 8.395 8.190 0.013 0.000 0.498 550 C N -2.298 117.016 119.300 0.023 0.000 2.457 550 C HA -0.209 4.268 4.460 0.028 0.000 0.278 550 C C -0.757 174.262 174.990 0.049 0.000 1.309 550 C CA 2.219 61.256 59.018 0.031 0.000 1.735 550 C CB 0.834 28.590 27.740 0.027 0.000 1.992 550 C HN 0.245 8.486 8.230 0.019 0.000 0.493 551 N N -1.960 116.770 118.700 0.050 0.000 2.623 551 N HA 0.441 5.461 4.740 0.097 -0.222 0.256 551 N C -2.070 173.483 175.510 0.072 0.000 1.045 551 N CA -0.598 52.496 53.050 0.073 0.000 0.863 551 N CB 1.726 40.250 38.487 0.062 0.000 1.182 551 N HN -0.359 8.044 8.380 0.038 0.000 0.523 552 R N 3.742 124.303 120.500 0.102 0.000 2.561 552 R HA 0.485 5.067 4.340 0.079 -0.194 0.297 552 R C -1.778 174.609 176.300 0.145 0.000 0.969 552 R CA -1.257 54.902 56.100 0.098 0.000 0.879 552 R CB 3.654 33.998 30.300 0.074 0.000 1.178 552 R HN 0.288 8.634 8.270 0.126 0.000 0.445 553 T N 5.285 119.918 114.554 0.131 0.000 2.982 553 T HA 0.360 4.794 4.350 0.141 0.000 0.321 553 T C -1.076 173.692 174.700 0.115 0.000 1.229 553 T CA -1.037 61.142 62.100 0.132 0.000 1.044 553 T CB 2.036 70.977 68.868 0.121 0.000 1.184 553 T HN 0.028 8.337 8.240 0.115 0.000 0.477 554 E N 6.179 126.424 120.200 0.076 0.000 2.444 554 E HA 0.214 4.615 4.350 0.085 0.000 0.191 554 E C 0.091 176.694 176.600 0.005 0.000 1.041 554 E CA -0.189 56.247 56.400 0.060 0.000 0.883 554 E CB 0.257 29.988 29.700 0.052 0.000 1.024 554 E HN 0.640 9.041 8.360 0.069 0.000 0.470 555 G N -1.791 106.958 108.800 -0.086 0.000 2.985 555 G HA2 -0.028 3.707 3.960 -0.375 0.000 0.209 555 G HA3 -0.028 3.957 3.960 -0.196 -0.143 0.209 555 G C -0.772 173.843 174.900 -0.476 0.000 1.165 555 G CA 0.282 45.213 45.100 -0.280 0.000 0.776 555 G HN -0.479 7.706 8.290 -0.064 0.067 0.541 556 F N -1.067 118.882 119.950 -0.001 0.000 2.364 556 F HA 0.426 5.144 4.527 0.071 -0.148 0.242 556 F C -0.629 175.205 175.800 0.056 0.000 0.885 556 F CA 0.173 58.198 58.000 0.042 0.000 1.095 556 F CB 2.006 40.999 39.000 -0.012 0.000 2.077 556 F HN -0.806 7.492 8.300 0.075 0.047 0.628 557 I N -2.546 118.215 120.570 0.319 0.000 2.498 557 I HA 0.169 4.408 4.170 0.115 0.000 0.290 557 I C -1.288 174.994 176.117 0.274 0.000 1.032 557 I CA -1.978 59.436 61.300 0.189 0.000 1.073 557 I CB 4.221 42.239 38.000 0.031 0.000 1.251 557 I HN -0.589 7.830 8.210 0.349 0.000 0.426 558 G N 6.847 115.780 108.800 0.222 0.000 2.398 558 G HA2 0.024 4.084 3.960 0.166 0.000 0.246 558 G HA3 0.024 4.094 3.960 0.182 0.000 0.246 558 G C -2.204 172.872 174.900 0.293 0.000 1.289 558 G CA -0.045 45.180 45.100 0.210 0.000 0.869 558 G HN 0.167 8.851 8.290 0.180 -0.286 0.543 559 L N 4.072 125.414 121.223 0.200 0.000 2.280 559 L HA 0.292 4.643 4.340 0.018 0.000 0.287 559 L C -0.814 176.053 176.870 -0.006 0.000 1.023 559 L CA -1.209 53.668 54.840 0.062 0.000 0.819 559 L CB 1.809 43.879 42.059 0.018 0.000 1.212 559 L HN -0.272 8.050 8.230 0.154 0.000 0.420 560 N N 6.583 125.261 118.700 -0.038 0.000 2.220 560 N HA 0.005 4.751 4.740 0.009 0.000 0.182 560 N C 0.070 175.556 175.510 -0.041 0.000 1.023 560 N CA 0.943 53.986 53.050 -0.012 0.000 0.856 560 N CB 1.004 39.504 38.487 0.021 0.000 0.997 560 N HN 0.712 9.053 8.380 -0.065 0.000 0.429 561 S N -4.284 111.363 115.700 -0.089 0.000 2.587 561 S HA 0.183 4.580 4.470 -0.123 0.000 0.269 561 S C -2.340 172.166 174.600 -0.155 0.000 1.154 561 S CA -0.194 57.945 58.200 -0.103 0.000 0.824 561 S CB 2.363 65.571 63.200 0.013 0.000 1.118 561 S HN -0.530 7.700 8.310 -0.134 0.000 0.462 562 V N 1.073 120.848 119.914 -0.233 0.000 2.638 562 V HA 0.707 4.966 4.120 -0.093 -0.194 0.306 562 V C -0.613 175.289 176.094 -0.319 0.000 1.052 562 V CA -0.706 61.488 62.300 -0.178 0.000 0.885 562 V CB 2.956 34.701 31.823 -0.130 0.000 0.999 562 V HN 0.101 8.110 8.190 -0.303 0.000 0.424 563 H N 5.757 124.811 119.070 -0.027 0.000 2.821 563 H HA 0.403 4.935 4.556 -0.040 0.000 0.373 563 H C -1.729 173.581 175.328 -0.030 0.000 1.165 563 H CA -1.334 54.691 56.048 -0.039 0.000 1.154 563 H CB 4.151 33.879 29.762 -0.056 0.000 1.765 563 H HN 0.508 8.866 8.280 0.131 0.000 0.549 564 C N 3.962 123.309 119.300 0.079 0.000 2.265 564 C HA 0.625 5.306 4.460 0.056 -0.188 0.332 564 C C -1.602 173.357 174.990 -0.052 0.000 1.248 564 C CA -1.668 57.365 59.018 0.025 0.000 1.727 564 C CB 0.501 28.233 27.740 -0.014 0.000 2.348 564 C HN 0.663 8.925 8.230 0.052 0.000 0.519 565 V N 8.921 128.774 119.914 -0.101 0.000 2.581 565 V HA 0.795 5.001 4.120 -0.246 -0.234 0.303 565 V C -2.146 173.858 176.094 -0.150 0.000 1.041 565 V CA -1.258 60.886 62.300 -0.260 0.000 0.907 565 V CB 3.396 34.825 31.823 -0.657 0.000 0.994 565 V HN 0.637 8.793 8.190 -0.057 0.000 0.442 566 Q N 5.296 125.019 119.800 -0.128 0.000 2.340 566 Q HA 0.999 5.599 4.340 0.053 -0.228 0.268 566 Q C -0.979 175.074 176.000 0.089 0.000 1.031 566 Q CA -2.074 53.730 55.803 0.002 0.000 0.804 566 Q CB 3.773 32.504 28.738 -0.013 0.000 1.286 566 Q HN 0.376 8.555 8.270 -0.153 0.000 0.448 567 G N 3.911 112.863 108.800 0.252 0.000 2.356 567 G HA2 -0.110 4.047 3.960 0.329 0.000 0.300 567 G HA3 -0.110 4.134 3.960 0.213 -0.157 0.300 567 G C -2.795 172.370 174.900 0.442 0.000 1.331 567 G CA -0.003 45.282 45.100 0.309 0.000 0.905 567 G HN -0.094 8.377 8.290 0.302 0.000 0.587 568 S N -1.983 113.892 115.700 0.292 0.000 2.624 568 S HA -0.097 4.612 4.470 0.397 0.000 0.263 568 S C -0.753 173.919 174.600 0.120 0.000 1.287 568 S CA -0.165 58.201 58.200 0.277 0.000 0.990 568 S CB 1.544 64.845 63.200 0.168 0.000 0.950 568 S HN -0.034 8.404 8.310 0.214 0.000 0.561 569 Y N 1.227 121.493 120.300 -0.056 0.000 2.442 569 Y HA -0.025 4.056 4.550 -0.783 0.000 0.330 569 Y C -1.774 173.850 175.900 -0.460 0.000 1.129 569 Y CA -0.011 57.846 58.100 -0.405 0.000 1.365 569 Y CB 0.577 38.926 38.460 -0.185 0.000 1.233 569 Y HN 0.201 8.689 8.280 0.347 0.000 0.529 570 P HA 0.241 4.441 4.420 -0.367 0.000 0.267 570 P C -1.759 175.406 177.300 -0.225 0.000 1.205 570 P CA -1.060 61.750 63.100 -0.484 0.000 0.765 570 P CB 0.013 31.324 31.700 -0.648 0.000 0.828 571 P HA -0.279 4.124 4.420 -0.028 0.000 0.216 571 P C 1.418 178.687 177.300 -0.052 0.000 1.150 571 P CA 2.449 65.514 63.100 -0.059 0.000 0.843 571 P CB 0.049 31.721 31.700 -0.046 0.000 0.787 572 L N -5.275 115.887 121.223 -0.101 0.000 2.141 572 L HA -0.241 4.071 4.340 -0.047 0.000 0.209 572 L C 1.982 178.792 176.870 -0.100 0.000 1.094 572 L CA 2.647 57.433 54.840 -0.090 0.000 0.763 572 L CB -0.417 41.572 42.059 -0.117 0.000 0.908 572 L HN -0.066 8.075 8.230 -0.132 0.009 0.437 573 L N -1.879 119.231 121.223 -0.188 0.000 2.179 573 L HA -0.324 3.833 4.340 -0.305 0.000 0.208 573 L C 2.202 179.174 176.870 0.170 0.000 1.096 573 L CA 2.433 57.144 54.840 -0.216 0.000 0.779 573 L CB -0.356 41.371 42.059 -0.552 0.000 0.922 573 L HN -0.516 7.457 8.230 -0.244 0.110 0.443 574 L N -1.369 119.953 121.223 0.164 0.000 2.083 574 L HA -0.443 4.050 4.340 0.255 0.000 0.209 574 L C 1.817 178.841 176.870 0.257 0.000 1.083 574 L CA 3.413 58.374 54.840 0.202 0.000 0.752 574 L CB -0.878 41.222 42.059 0.069 0.000 0.899 574 L HN -0.243 7.960 8.230 0.086 0.078 0.433 575 K N -0.449 120.052 120.400 0.168 0.000 2.057 575 K HA -0.386 4.038 4.320 0.173 0.000 0.207 575 K C 2.057 178.800 176.600 0.240 0.000 1.049 575 K CA 3.378 59.766 56.287 0.168 0.000 0.931 575 K CB -0.140 32.412 32.500 0.086 0.000 0.714 575 K HN -0.244 8.070 8.250 0.108 0.000 0.440 576 A N -0.926 122.047 122.820 0.255 0.000 1.898 576 A HA -0.217 4.260 4.320 0.262 0.000 0.216 576 A C 1.439 179.291 177.584 0.445 0.000 1.181 576 A CA 3.078 55.314 52.037 0.331 0.000 0.620 576 A CB -0.728 18.487 19.000 0.358 0.000 0.819 576 A HN -0.673 7.601 8.150 0.206 0.000 0.442 577 W N -1.116 120.382 121.300 0.329 0.000 2.358 577 W HA -0.398 4.385 4.660 0.205 0.000 0.303 577 W C 1.203 177.845 176.519 0.205 0.000 1.208 577 W CA 4.448 61.940 57.345 0.245 0.000 1.274 577 W CB 0.145 29.730 29.460 0.208 0.000 1.138 577 W HN -0.002 8.575 8.180 0.662 0.000 0.515 578 D N -2.202 118.525 120.400 0.546 0.000 2.144 578 D HA -0.381 4.529 4.640 0.448 0.000 0.199 578 D C 2.307 178.724 176.300 0.195 0.000 0.984 578 D CA 3.637 57.867 54.000 0.383 0.000 0.834 578 D CB -0.653 40.337 40.800 0.317 0.000 0.955 578 D HN -0.178 8.517 8.370 0.542 0.000 0.465 579 H N 1.388 120.542 119.070 0.139 0.000 2.353 579 H HA -0.295 4.297 4.556 0.061 0.000 0.300 579 H C 1.990 177.345 175.328 0.044 0.000 1.090 579 H CA 3.863 59.961 56.048 0.083 0.000 1.327 579 H CB 0.453 30.272 29.762 0.094 0.000 1.383 579 H HN -0.598 7.901 8.280 0.364 0.000 0.508 580 Y N 0.772 121.036 120.300 -0.060 0.000 2.242 580 Y HA -0.310 4.148 4.550 -0.153 0.000 0.291 580 Y C 1.355 177.070 175.900 -0.310 0.000 1.137 580 Y CA 2.962 60.946 58.100 -0.194 0.000 1.181 580 Y CB 0.293 38.616 38.460 -0.229 0.000 0.989 580 Y HN -0.396 8.050 8.280 0.276 0.000 0.527 581 N N -1.376 117.225 118.700 -0.166 0.000 2.166 581 N HA -0.341 4.244 4.740 -0.259 0.000 0.186 581 N C 2.467 177.864 175.510 -0.188 0.000 1.019 581 N CA 2.921 55.819 53.050 -0.253 0.000 0.856 581 N CB -0.464 37.834 38.487 -0.314 0.000 0.993 581 N HN -0.347 7.851 8.380 -0.161 0.085 0.426 582 S N -0.773 114.824 115.700 -0.171 0.000 2.428 582 S HA -0.114 4.288 4.470 -0.113 0.000 0.230 582 S C 1.202 175.665 174.600 -0.228 0.000 1.014 582 S CA 3.310 61.411 58.200 -0.164 0.000 0.957 582 S CB 0.135 63.245 63.200 -0.149 0.000 0.784 582 S HN -0.102 8.099 8.310 -0.157 0.014 0.499 583 T N -2.616 111.740 114.554 -0.330 0.000 3.038 583 T HA 0.120 4.318 4.350 -0.254 0.000 0.244 583 T C 1.154 175.660 174.700 -0.324 0.000 1.016 583 T CA 1.459 63.365 62.100 -0.322 0.000 1.098 583 T CB 0.933 69.570 68.868 -0.385 0.000 0.954 583 T HN -0.584 7.330 8.240 -0.375 0.100 0.469 584 K N -1.213 118.906 120.400 -0.468 0.000 2.399 584 K HA 0.152 4.256 4.320 -0.360 0.000 0.196 584 K C 0.215 176.587 176.600 -0.381 0.000 1.103 584 K CA 0.313 56.300 56.287 -0.501 0.000 0.986 584 K CB 1.861 33.837 32.500 -0.874 0.000 0.952 584 K HN -0.182 7.736 8.250 -0.554 0.000 0.541 585 G N 0.642 109.236 108.800 -0.343 0.000 2.767 585 G HA2 -0.360 3.511 3.960 -0.148 0.000 0.686 585 G HA3 -0.360 3.676 3.960 -0.164 -0.174 0.686 585 G C -2.174 172.659 174.900 -0.112 0.000 1.213 585 G CA -0.102 44.884 45.100 -0.190 0.000 0.803 585 G HN -0.583 7.393 8.290 -0.374 0.090 0.603 586 S N 0.741 116.394 115.700 -0.077 0.000 2.536 586 S HA 0.247 4.845 4.470 0.042 -0.103 0.298 586 S C -0.124 174.491 174.600 0.024 0.000 1.083 586 S CA -2.240 55.940 58.200 -0.034 0.000 0.995 586 S CB 1.747 64.790 63.200 -0.263 0.000 1.058 586 S HN -0.361 8.083 8.310 -0.088 -0.188 0.488 587 A N 5.690 128.534 122.820 0.041 0.000 2.275 587 A HA 0.252 4.600 4.320 0.048 0.000 0.212 587 A C -0.203 177.435 177.584 0.089 0.000 1.201 587 A CA 0.552 52.620 52.037 0.051 0.000 0.843 587 A CB 0.467 19.484 19.000 0.029 0.000 0.873 587 A HN 0.514 9.036 8.150 0.033 -0.353 0.492 588 N N -1.528 117.271 118.700 0.164 0.000 2.482 588 N HA 0.177 5.001 4.740 0.140 0.000 0.279 588 N C -0.832 174.878 175.510 0.332 0.000 1.182 588 N CA -0.626 52.565 53.050 0.235 0.000 0.969 588 N CB 1.484 40.143 38.487 0.286 0.000 1.201 588 N HN -0.464 7.959 8.380 0.170 0.060 0.523 589 D N 1.015 121.527 120.400 0.186 0.000 2.382 589 D HA -0.097 4.596 4.640 0.087 0.000 0.245 589 D C -0.776 175.439 176.300 -0.142 0.000 1.120 589 D CA 0.649 54.700 54.000 0.085 0.000 0.890 589 D CB 0.838 41.660 40.800 0.037 0.000 1.201 589 D HN -0.025 8.682 8.370 0.138 -0.255 0.433 590 R N 1.589 121.812 120.500 -0.462 0.000 2.458 590 R HA 0.012 2.736 4.340 -2.694 0.000 0.303 590 R C -0.613 175.230 176.300 -0.762 0.000 1.013 590 R CA -1.307 54.032 56.100 -1.268 0.000 1.026 590 R CB 0.417 30.270 30.300 -0.745 0.000 0.948 590 R HN 0.125 8.253 8.270 -0.237 0.000 0.417 591 P HA 0.088 3.896 4.420 -1.020 0.000 0.218 591 P C -1.483 175.278 177.300 -0.898 0.000 1.793 591 P CA -0.585 61.931 63.100 -0.974 0.000 0.941 591 P CB -1.105 29.932 31.700 -1.105 0.000 1.919 592 D N -0.123 119.880 120.400 -0.661 0.000 2.431 592 D HA 0.011 4.482 4.640 -0.281 0.000 0.213 592 D C 0.088 176.232 176.300 -0.261 0.000 1.130 592 D CA 0.042 53.835 54.000 -0.345 0.000 0.834 592 D CB -0.158 40.527 40.800 -0.192 0.000 0.985 592 D HN -0.165 7.854 8.370 -0.501 0.050 0.504 593 F N -4.698 115.036 119.950 -0.359 0.000 2.661 593 F HA 0.200 4.622 4.527 -0.176 0.000 0.306 593 F C -0.858 174.805 175.800 -0.228 0.000 1.094 593 F CA -1.418 56.404 58.000 -0.298 0.000 1.254 593 F CB 0.087 38.868 39.000 -0.366 0.000 1.040 593 F HN -0.660 6.689 8.300 -1.584 0.000 0.562 594 F N 0.883 120.695 119.950 -0.230 0.000 2.399 594 F HA -0.008 4.538 4.527 0.031 0.000 0.342 594 F C 0.597 176.435 175.800 0.064 0.000 1.106 594 F CA -0.161 57.818 58.000 -0.034 0.000 1.196 594 F CB 0.704 39.728 39.000 0.041 0.000 1.163 594 F HN -0.658 7.348 8.300 -0.406 0.051 0.547 595 K N 1.167 121.740 120.400 0.289 0.000 2.148 595 K HA 0.211 4.627 4.320 0.159 0.000 0.239 595 K C 0.542 177.255 176.600 0.188 0.000 1.018 595 K CA -1.450 54.949 56.287 0.187 0.000 0.923 595 K CB 1.350 33.933 32.500 0.139 0.000 1.117 595 K HN 0.215 8.650 8.250 0.310 0.000 0.477 596 D N -1.610 118.872 120.400 0.137 0.000 2.371 596 D HA -0.249 4.574 4.640 0.159 -0.088 0.221 596 D C 0.186 176.550 176.300 0.106 0.000 0.986 596 D CA 2.295 56.371 54.000 0.127 0.000 0.899 596 D CB -0.727 40.127 40.800 0.089 0.000 0.902 596 D HN 0.440 8.878 8.370 0.113 0.000 0.530 597 D N -4.822 115.632 120.400 0.090 0.000 2.349 597 D HA -0.115 4.553 4.640 0.047 0.000 0.214 597 D C -0.070 176.253 176.300 0.038 0.000 1.063 597 D CA -0.687 53.347 54.000 0.056 0.000 0.847 597 D CB -1.196 39.627 40.800 0.039 0.000 0.933 597 D HN -0.211 8.173 8.370 0.096 0.043 0.513 598 Q N 0.958 120.795 119.800 0.062 0.000 2.300 598 Q HA -0.106 4.186 4.340 -0.081 0.000 0.280 598 Q C -0.997 174.913 176.000 -0.151 0.000 1.033 598 Q CA 0.550 56.314 55.803 -0.065 0.000 0.903 598 Q CB 0.390 29.077 28.738 -0.085 0.000 1.195 598 Q HN -0.628 7.665 8.270 0.118 0.048 0.386 599 L N 3.836 124.894 121.223 -0.275 0.000 2.343 599 L HA 0.776 5.258 4.340 -0.108 -0.207 0.275 599 L C -0.153 176.406 176.870 -0.519 0.000 1.056 599 L CA -0.749 53.948 54.840 -0.238 0.000 0.804 599 L CB 1.630 43.613 42.059 -0.126 0.000 1.203 599 L HN -0.060 8.016 8.230 -0.257 0.000 0.440 600 F N -0.351 119.529 119.950 -0.117 0.000 2.588 600 F HA 0.677 5.353 4.527 -0.040 -0.172 0.310 600 F C -0.797 174.975 175.800 -0.046 0.000 1.082 600 F CA -1.494 56.454 58.000 -0.086 0.000 0.929 600 F CB 4.721 43.636 39.000 -0.142 0.000 1.254 600 F HN 0.539 8.879 8.300 0.067 0.000 0.455 601 I N 1.034 121.733 120.570 0.215 0.000 2.353 601 I HA 0.475 4.905 4.170 0.137 -0.178 0.293 601 I C -0.931 175.281 176.117 0.158 0.000 0.992 601 I CA -2.245 59.151 61.300 0.161 0.000 1.268 601 I CB 0.307 38.389 38.000 0.135 0.000 1.387 601 I HN 0.462 8.805 8.210 0.221 0.000 0.478 602 V N 8.237 128.213 119.914 0.103 0.000 2.350 602 V HA 0.460 4.850 4.120 0.128 -0.194 0.285 602 V C -1.338 174.797 176.094 0.068 0.000 1.014 602 V CA -1.101 61.256 62.300 0.094 0.000 0.831 602 V CB 1.264 33.102 31.823 0.026 0.000 1.000 602 V HN 0.549 8.796 8.190 0.095 0.000 0.433 603 L N 8.114 129.355 121.223 0.030 0.000 2.282 603 L HA 0.461 4.819 4.340 -0.202 -0.139 0.288 603 L C -1.515 175.228 176.870 -0.212 0.000 1.033 603 L CA -0.854 53.880 54.840 -0.177 0.000 0.807 603 L CB 1.519 43.415 42.059 -0.272 0.000 1.209 603 L HN 0.550 8.832 8.230 0.087 0.000 0.423 604 E N 4.075 124.118 120.200 -0.261 0.000 2.113 604 E HA 0.591 5.111 4.350 0.020 -0.158 0.273 604 E C -1.404 175.065 176.600 -0.218 0.000 0.924 604 E CA -1.715 54.623 56.400 -0.103 0.000 0.764 604 E CB 2.477 32.185 29.700 0.013 0.000 1.104 604 E HN 0.356 8.558 8.360 -0.263 0.000 0.406 605 F N 5.380 125.390 119.950 0.101 0.000 2.523 605 F HA 0.561 5.274 4.527 0.086 -0.135 0.329 605 F C 0.068 175.936 175.800 0.112 0.000 1.061 605 F CA -1.587 56.469 58.000 0.094 0.000 0.967 605 F CB 3.794 42.839 39.000 0.074 0.000 1.218 605 F HN 0.839 9.318 8.300 0.299 0.000 0.480 606 E N 1.143 121.533 120.200 0.317 0.000 2.534 606 E HA -0.317 4.165 4.350 0.220 0.000 0.264 606 E C -1.123 175.627 176.600 0.250 0.000 0.981 606 E CA 0.813 57.356 56.400 0.239 0.000 0.948 606 E CB 0.882 30.689 29.700 0.178 0.000 0.934 606 E HN -0.058 8.489 8.360 0.311 0.000 0.459 607 F N 6.618 126.633 119.950 0.108 0.000 2.472 607 F HA 0.055 4.633 4.527 0.085 0.000 0.364 607 F C -0.677 175.155 175.800 0.054 0.000 1.090 607 F CA -0.214 57.834 58.000 0.081 0.000 1.188 607 F CB 0.956 39.999 39.000 0.072 0.000 1.105 607 F HN -0.240 8.282 8.300 0.370 0.000 0.536 608 G N 3.750 112.162 108.800 -0.647 0.000 3.126 608 G HA2 -0.103 3.653 3.960 -0.339 0.000 0.224 608 G HA3 -0.103 3.692 3.960 -0.274 0.000 0.224 608 G C -0.954 173.600 174.900 -0.578 0.000 1.142 608 G CA -0.785 44.043 45.100 -0.455 0.000 0.759 608 G HN 0.347 8.211 8.290 -0.708 0.000 0.550 609 G N -0.348 107.762 108.800 -1.149 0.000 2.445 609 G HA2 -0.244 3.701 3.960 -0.331 0.000 0.212 609 G HA3 -0.244 3.419 3.960 -0.495 0.000 0.212 609 G C -1.356 173.310 174.900 -0.391 0.000 1.217 609 G CA -0.518 44.215 45.100 -0.612 0.000 1.002 609 G HN -0.788 6.157 8.290 -2.241 0.000 0.574 610 I N 2.815 123.294 120.570 -0.151 0.000 2.441 610 I HA 0.330 4.468 4.170 -0.055 0.000 0.295 610 I C -0.822 175.239 176.117 -0.093 0.000 0.994 610 I CA -2.402 58.854 61.300 -0.073 0.000 1.144 610 I CB 1.691 39.681 38.000 -0.018 0.000 1.314 610 I HN -0.052 8.087 8.210 -0.119 0.000 0.445 611 D N 3.888 124.233 120.400 -0.092 0.000 2.357 611 D HA 0.042 4.818 4.640 -0.093 -0.191 0.242 611 D C 0.896 177.125 176.300 -0.119 0.000 1.153 611 D CA -0.128 53.812 54.000 -0.099 0.000 0.918 611 D CB 0.830 41.577 40.800 -0.089 0.000 1.181 611 D HN 0.176 8.500 8.370 -0.078 0.000 0.435 612 L N -0.129 121.047 121.223 -0.078 0.000 2.079 612 L HA -0.278 4.042 4.340 -0.034 0.000 0.210 612 L C 0.913 177.639 176.870 -0.240 0.000 1.081 612 L CA 2.814 57.627 54.840 -0.045 0.000 0.752 612 L CB 0.188 42.320 42.059 0.120 0.000 0.896 612 L HN 0.116 8.321 8.230 -0.040 0.000 0.433 613 E N -2.827 117.033 120.200 -0.567 0.000 2.058 613 E HA -0.362 2.688 4.350 -2.166 0.000 0.194 613 E C 1.609 177.781 176.600 -0.713 0.000 0.997 613 E CA 2.117 57.723 56.400 -1.324 0.000 0.801 613 E CB 0.053 28.834 29.700 -1.531 0.000 0.746 613 E HN -0.772 7.376 8.360 -0.441 -0.052 0.450 617 T N -2.247 112.223 114.554 -0.141 0.000 3.129 617 T HA 0.346 4.776 4.350 -0.171 -0.182 0.267 617 T C 0.183 174.823 174.700 -0.101 0.000 1.018 617 T CA -0.180 61.842 62.100 -0.131 0.000 0.903 617 T CB 0.281 69.099 68.868 -0.082 0.000 1.067 617 T HN 0.096 8.262 8.240 -0.124 0.000 0.549 618 K N -0.571 119.772 120.400 -0.096 0.000 2.380 618 K HA 0.191 4.492 4.320 -0.031 0.000 0.198 618 K C -0.787 175.810 176.600 -0.004 0.000 1.070 618 K CA 0.373 56.634 56.287 -0.043 0.000 1.040 618 K CB 0.259 32.737 32.500 -0.037 0.000 0.903 618 K HN 0.106 8.285 8.250 -0.117 0.000 0.549 619 L N -1.535 119.687 121.223 -0.002 0.000 2.418 619 L HA 0.125 4.528 4.340 0.105 0.000 0.265 619 L C 1.218 178.228 176.870 0.234 0.000 1.143 619 L CA -0.924 53.994 54.840 0.129 0.000 0.809 619 L CB 0.828 43.028 42.059 0.235 0.000 1.124 619 L HN -0.509 7.673 8.230 -0.080 0.000 0.456 620 S N 0.095 115.921 115.700 0.209 0.000 2.377 620 S HA -0.173 4.379 4.470 0.138 0.000 0.223 620 S C -0.040 174.674 174.600 0.190 0.000 1.030 620 S CA 1.982 60.278 58.200 0.159 0.000 0.970 620 S CB 0.506 63.756 63.200 0.082 0.000 0.830 620 S HN 0.632 9.046 8.310 0.174 0.000 0.473 621 S N -3.221 112.562 115.700 0.139 0.000 2.636 621 S HA 0.232 4.622 4.470 -0.133 0.000 0.266 621 S C -0.163 174.009 174.600 -0.713 0.000 1.147 621 S CA -1.309 56.781 58.200 -0.184 0.000 0.815 621 S CB 2.450 65.573 63.200 -0.128 0.000 1.119 621 S HN -0.974 7.422 8.310 0.143 0.000 0.470 622 L N 1.253 121.876 121.223 -0.999 0.000 2.362 622 L HA -0.127 3.411 4.340 -1.336 0.000 0.219 622 L C 0.950 177.582 176.870 -0.397 0.000 1.134 622 L CA 1.459 55.744 54.840 -0.924 0.000 0.807 622 L CB -0.597 41.084 42.059 -0.631 0.000 0.927 622 L HN 0.802 8.560 8.230 -0.787 0.000 0.447 623 A N -2.383 120.280 122.820 -0.261 0.000 1.917 623 A HA -0.337 3.911 4.320 -0.119 0.000 0.219 623 A C 2.454 179.985 177.584 -0.088 0.000 1.182 623 A CA 3.224 55.181 52.037 -0.134 0.000 0.633 623 A CB -0.986 17.962 19.000 -0.087 0.000 0.819 623 A HN -0.319 7.655 8.150 -0.260 0.020 0.448 624 T N -2.639 111.868 114.554 -0.078 0.000 2.821 624 T HA -0.372 3.982 4.350 0.007 0.000 0.267 624 T C 1.454 176.168 174.700 0.024 0.000 1.046 624 T CA 3.470 65.571 62.100 0.003 0.000 1.139 624 T CB -0.104 68.808 68.868 0.073 0.000 0.871 624 T HN -0.350 7.818 8.240 -0.110 0.006 0.454 625 A N 1.845 124.662 122.820 -0.006 0.000 1.917 625 A HA -0.352 4.041 4.320 0.122 0.000 0.219 625 A C 1.664 179.261 177.584 0.022 0.000 1.182 625 A CA 3.229 55.295 52.037 0.048 0.000 0.633 625 A CB -1.046 17.963 19.000 0.015 0.000 0.819 625 A HN -0.354 7.633 8.150 -0.099 0.104 0.448 626 K N -1.826 118.559 120.400 -0.025 0.000 2.057 626 K HA -0.382 3.909 4.320 -0.048 0.000 0.207 626 K C 1.985 178.623 176.600 0.062 0.000 1.049 626 K CA 3.362 59.638 56.287 -0.018 0.000 0.931 626 K CB -0.206 32.265 32.500 -0.049 0.000 0.714 626 K HN -0.547 7.664 8.250 -0.058 0.004 0.440 627 S N -0.586 115.145 115.700 0.052 0.000 2.368 627 S HA -0.292 4.232 4.470 0.089 0.000 0.225 627 S C 2.031 176.661 174.600 0.049 0.000 1.030 627 S CA 3.436 61.671 58.200 0.058 0.000 0.999 627 S CB -0.222 62.988 63.200 0.017 0.000 0.844 627 S HN -0.858 7.468 8.310 0.027 0.000 0.459 628 I N 1.750 122.349 120.570 0.047 0.000 2.179 628 I HA -0.525 3.655 4.170 0.017 0.000 0.242 628 I C 1.522 177.673 176.117 0.057 0.000 1.088 628 I CA 4.238 65.564 61.300 0.043 0.000 1.357 628 I CB -0.066 37.973 38.000 0.064 0.000 1.051 628 I HN -0.322 7.918 8.210 0.050 0.000 0.409 629 L N -2.096 119.181 121.223 0.091 0.000 2.083 629 L HA -0.502 3.920 4.340 0.137 0.000 0.209 629 L C 1.918 178.864 176.870 0.126 0.000 1.083 629 L CA 3.454 58.372 54.840 0.129 0.000 0.752 629 L CB -0.689 41.442 42.059 0.119 0.000 0.899 629 L HN -0.180 8.101 8.230 0.085 0.000 0.433 630 H N -0.022 119.044 119.070 -0.007 0.000 2.357 630 H HA -0.442 3.757 4.556 -0.596 0.000 0.301 630 H C 2.270 177.408 175.328 -0.317 0.000 1.082 630 H CA 3.491 59.390 56.048 -0.249 0.000 1.342 630 H CB 0.560 30.272 29.762 -0.083 0.000 1.389 630 H HN -0.270 8.148 8.280 0.230 0.000 0.511 631 Q N -1.045 118.708 119.800 -0.077 0.000 2.050 631 Q HA -0.379 3.813 4.340 -0.246 0.000 0.202 631 Q C 2.529 178.420 176.000 -0.181 0.000 0.980 631 Q CA 3.592 59.291 55.803 -0.173 0.000 0.840 631 Q CB 0.150 28.811 28.738 -0.128 0.000 0.898 631 Q HN -0.209 8.048 8.270 -0.021 0.000 0.424 632 L N -1.078 120.080 121.223 -0.108 0.000 2.017 632 L HA -0.415 3.836 4.340 -0.149 0.000 0.208 632 L C 2.208 179.028 176.870 -0.084 0.000 1.073 632 L CA 3.548 58.332 54.840 -0.094 0.000 0.745 632 L CB -0.400 41.656 42.059 -0.005 0.000 0.894 632 L HN -0.068 8.126 8.230 -0.061 0.000 0.432 633 T N 0.485 114.991 114.554 -0.080 0.000 2.746 633 T HA -0.439 3.914 4.350 0.005 0.000 0.267 633 T C 1.783 176.370 174.700 -0.188 0.000 1.039 633 T CA 4.682 66.725 62.100 -0.096 0.000 1.142 633 T CB -0.403 68.367 68.868 -0.164 0.000 0.866 633 T HN -0.262 7.934 8.240 -0.073 0.000 0.444 634 A N 1.591 124.208 122.820 -0.338 0.000 1.902 634 A HA -0.380 3.622 4.320 -0.530 0.000 0.217 634 A C 1.933 179.317 177.584 -0.334 0.000 1.181 634 A CA 3.224 54.944 52.037 -0.528 0.000 0.623 634 A CB -0.942 17.481 19.000 -0.962 0.000 0.818 634 A HN -0.063 7.879 8.150 -0.346 0.000 0.443 635 S N -0.160 115.381 115.700 -0.266 0.000 2.368 635 S HA -0.297 4.091 4.470 -0.137 0.000 0.225 635 S C 2.039 176.684 174.600 0.074 0.000 1.030 635 S CA 4.695 62.772 58.200 -0.205 0.000 0.999 635 S CB -0.230 62.632 63.200 -0.564 0.000 0.844 635 S HN -0.512 7.626 8.310 -0.288 0.000 0.459 636 L N -0.057 121.228 121.223 0.104 0.000 2.093 636 L HA -0.328 4.351 4.340 0.566 0.000 0.208 636 L C 1.673 178.708 176.870 0.276 0.000 1.085 636 L CA 3.049 58.088 54.840 0.333 0.000 0.755 636 L CB -0.508 41.724 42.059 0.288 0.000 0.904 636 L HN -0.481 7.754 8.230 0.009 0.000 0.435 637 A N 0.009 122.911 122.820 0.135 0.000 1.902 637 A HA -0.228 4.194 4.320 0.171 0.000 0.217 637 A C 2.093 179.764 177.584 0.145 0.000 1.181 637 A CA 2.968 55.082 52.037 0.129 0.000 0.623 637 A CB -0.573 18.455 19.000 0.048 0.000 0.818 637 A HN -0.171 8.012 8.150 0.056 0.000 0.443 638 V N -0.542 119.443 119.914 0.118 0.000 2.407 638 V HA -0.427 3.772 4.120 0.132 0.000 0.248 638 V C 1.823 177.998 176.094 0.134 0.000 1.055 638 V CA 4.107 66.488 62.300 0.134 0.000 1.049 638 V CB -0.417 31.489 31.823 0.138 0.000 0.662 638 V HN -0.326 7.908 8.190 0.074 0.000 0.455 639 A N -0.304 122.623 122.820 0.178 0.000 1.930 639 A HA -0.059 4.235 4.320 -0.044 0.000 0.217 639 A C 2.397 180.092 177.584 0.185 0.000 1.175 639 A CA 2.625 54.706 52.037 0.073 0.000 0.627 639 A CB -0.491 18.443 19.000 -0.110 0.000 0.815 639 A HN -0.278 8.024 8.150 0.254 0.000 0.443 640 E N -0.609 119.761 120.200 0.285 0.000 2.058 640 E HA -0.417 4.217 4.350 0.345 -0.077 0.194 640 E C 2.712 179.413 176.600 0.169 0.000 0.997 640 E CA 3.064 59.642 56.400 0.296 0.000 0.801 640 E CB -0.103 29.798 29.700 0.335 0.000 0.746 640 E HN -0.060 8.484 8.360 0.307 0.000 0.450 641 A N -1.696 121.209 122.820 0.142 0.000 1.929 641 A HA -0.139 4.243 4.320 0.103 0.000 0.216 641 A C 1.618 179.231 177.584 0.048 0.000 1.176 641 A CA 2.765 54.861 52.037 0.099 0.000 0.628 641 A CB -0.369 18.695 19.000 0.106 0.000 0.816 641 A HN -0.268 7.966 8.150 0.153 0.008 0.444 642 S N -2.822 112.899 115.700 0.035 0.000 2.421 642 S HA -0.138 4.332 4.470 0.001 0.000 0.224 642 S C 1.016 175.595 174.600 -0.035 0.000 1.035 642 S CA 2.722 60.920 58.200 -0.003 0.000 0.953 642 S CB 1.364 64.555 63.200 -0.016 0.000 0.810 642 S HN -0.501 7.839 8.310 0.050 0.000 0.497 643 L N -2.051 119.150 121.223 -0.037 0.000 3.217 643 L HA 0.432 4.730 4.340 -0.070 0.000 0.288 643 L C -1.322 175.496 176.870 -0.088 0.000 1.202 643 L CA -1.295 53.511 54.840 -0.057 0.000 1.027 643 L CB 1.832 43.851 42.059 -0.068 0.000 1.427 643 L HN -0.319 7.907 8.230 -0.006 0.000 0.600 644 R N -3.250 117.149 120.500 -0.169 0.000 3.322 644 R HA -0.457 3.620 4.340 -0.603 -0.099 0.253 644 R C -1.775 174.429 176.300 -0.160 0.000 0.987 644 R CA 0.774 56.531 56.100 -0.572 0.000 0.666 644 R CB -2.949 26.732 30.300 -1.033 0.000 1.072 644 R HN -0.358 7.845 8.270 -0.112 0.000 0.447 645 F N 0.741 120.685 119.950 -0.012 0.000 2.427 645 F HA 0.339 5.107 4.527 0.034 -0.221 0.352 645 F C -0.571 175.381 175.800 0.254 0.000 1.100 645 F CA -0.314 57.733 58.000 0.078 0.000 1.191 645 F CB 2.002 40.994 39.000 -0.014 0.000 1.128 645 F HN -0.935 7.550 8.300 0.301 -0.005 0.533 646 E N 6.855 126.698 120.200 -0.595 0.000 2.224 646 E HA 0.376 4.691 4.350 -0.363 -0.182 0.265 646 E C -0.743 175.246 176.600 -1.018 0.000 0.878 646 E CA -1.758 54.313 56.400 -0.549 0.000 0.759 646 E CB 2.863 32.536 29.700 -0.046 0.000 1.164 646 E HN 0.010 8.057 8.360 -0.522 0.000 0.414 647 H N 5.426 124.014 119.070 -0.803 0.000 2.326 647 H HA -0.113 4.206 4.556 -0.395 0.000 0.301 647 H C 1.297 176.532 175.328 -0.155 0.000 1.081 647 H CA 4.322 60.152 56.048 -0.364 0.000 1.334 647 H CB 1.233 31.007 29.762 0.021 0.000 1.385 647 H HN -0.139 8.182 8.280 -0.312 -0.228 0.504 648 R N -8.024 112.539 120.500 0.105 0.000 3.922 648 R HA -0.282 4.406 4.340 0.580 0.000 0.447 648 R C -1.243 175.161 176.300 0.174 0.000 1.035 648 R CA 1.981 58.259 56.100 0.297 0.000 1.289 648 R CB -1.233 29.261 30.300 0.324 0.000 1.906 648 R HN 0.428 8.795 8.270 0.161 0.000 0.540 649 D N -2.342 117.898 120.400 -0.267 0.000 3.404 649 D HA 0.131 4.386 4.640 -0.641 0.000 0.329 649 D C -1.361 174.344 176.300 -0.991 0.000 1.421 649 D CA -0.104 53.584 54.000 -0.519 0.000 0.742 649 D CB 1.179 41.975 40.800 -0.006 0.000 1.290 649 D HN -0.404 7.954 8.370 0.079 0.060 0.600 650 L N 2.042 122.092 121.223 -1.954 0.000 2.796 650 L HA 0.149 3.805 4.340 -1.140 0.000 0.235 650 L C -1.316 175.094 176.870 -0.767 0.000 1.344 650 L CA -1.893 52.185 54.840 -1.270 0.000 1.245 650 L CB -1.523 39.951 42.059 -0.975 0.000 1.556 650 L HN -0.101 6.261 8.230 -3.113 0.000 0.423 651 H N -0.906 117.810 119.070 -0.589 0.000 2.639 651 H HA -0.030 4.491 4.556 -0.059 0.000 0.373 651 H C 0.805 176.321 175.328 0.313 0.000 1.372 651 H CA -1.381 54.626 56.048 -0.067 0.000 1.448 651 H CB 0.543 30.279 29.762 -0.043 0.000 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0.281 655 V C -2.046 174.005 176.094 -0.071 0.000 1.016 655 V CA -0.303 61.956 62.300 -0.068 0.000 0.832 655 V CB 0.827 32.656 31.823 0.010 0.000 0.999 655 V HN -0.984 7.122 8.190 -0.042 0.058 0.439 656 L N 5.961 127.120 121.223 -0.106 0.000 2.325 656 L HA 0.442 4.857 4.340 -0.119 -0.147 0.278 656 L C -1.186 175.618 176.870 -0.110 0.000 1.023 656 L CA -1.389 53.374 54.840 -0.128 0.000 0.811 656 L CB 1.882 43.828 42.059 -0.189 0.000 1.249 656 L HN 0.574 8.733 8.230 -0.117 0.000 0.431 657 L N 0.709 121.872 121.223 -0.100 0.000 2.356 657 L HA 0.558 5.004 4.340 -0.061 -0.143 0.277 657 L C -1.354 175.474 176.870 -0.071 0.000 0.996 657 L CA -1.241 53.560 54.840 -0.066 0.000 0.822 657 L CB 2.058 44.099 42.059 -0.031 0.000 1.256 657 L HN 0.330 8.496 8.230 -0.108 0.000 0.413 658 K N 2.806 123.174 120.400 -0.055 0.000 2.371 658 K HA 0.256 4.567 4.320 -0.014 0.000 0.251 658 K C -1.545 175.057 176.600 0.003 0.000 0.934 658 K CA -1.898 54.373 56.287 -0.027 0.000 0.798 658 K CB 4.148 36.624 32.500 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0.272 662 L C 1.380 178.258 176.870 0.013 0.000 1.182 662 L CA 0.389 55.245 54.840 0.027 0.000 0.858 662 L CB 0.392 42.474 42.059 0.039 0.000 1.120 662 L HN -0.635 7.575 8.230 0.026 0.036 0.474 663 K N 0.521 120.927 120.400 0.011 0.000 2.186 663 K HA -0.100 4.218 4.320 -0.003 0.000 0.202 663 K C 0.076 176.659 176.600 -0.029 0.000 1.052 663 K CA 1.490 57.775 56.287 -0.004 0.000 0.965 663 K CB 0.576 33.076 32.500 0.001 0.000 0.746 663 K HN 0.327 8.588 8.250 0.019 0.000 0.457 664 K N -3.210 117.162 120.400 -0.046 0.000 2.426 664 K HA 0.542 4.969 4.320 -0.120 -0.178 0.251 664 K C -0.464 176.044 176.600 -0.153 0.000 0.941 664 K CA -1.354 54.856 56.287 -0.127 0.000 0.808 664 K CB 3.374 35.753 32.500 -0.202 0.000 1.265 664 K HN -0.583 7.655 8.250 -0.021 0.000 0.432 665 L N 1.156 122.269 121.223 -0.182 0.000 2.334 665 L HA 0.335 4.664 4.340 -0.018 0.000 0.272 665 L C -1.775 174.946 176.870 -0.250 0.000 1.020 665 L CA -1.148 53.621 54.840 -0.118 0.000 0.812 665 L CB 2.586 44.611 42.059 -0.056 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0.278 669 L C -1.043 175.902 176.870 0.124 0.000 0.996 669 L CA -1.413 53.550 54.840 0.205 0.000 0.831 669 L CB 2.714 44.951 42.059 0.296 0.000 1.232 669 L HN 0.356 8.657 8.230 0.118 0.000 0.413 670 N N 9.131 127.890 118.700 0.099 0.000 2.707 670 N HA -0.421 4.357 4.740 0.063 0.000 0.253 670 N C 0.055 175.598 175.510 0.055 0.000 0.998 670 N CA 1.346 54.439 53.050 0.072 0.000 0.751 670 N CB -1.863 36.669 38.487 0.075 0.000 0.920 670 N HN 0.860 9.670 8.380 0.102 -0.369 0.539 671 G N -4.998 103.830 108.800 0.047 0.000 2.199 671 G HA2 -0.552 3.424 3.960 0.027 0.000 0.254 671 G HA3 -0.552 3.422 3.960 0.024 0.000 0.254 671 G C -1.488 173.423 174.900 0.018 0.000 0.982 671 G CA 0.123 45.240 45.100 0.029 0.000 0.632 671 G HN 0.342 8.561 8.290 0.052 0.103 0.529 672 K N 1.962 122.376 120.400 0.023 0.000 2.293 672 K HA 0.247 4.563 4.320 -0.006 0.000 0.267 672 K C -1.213 175.351 176.600 -0.060 0.000 1.010 672 K CA -1.330 54.956 56.287 -0.001 0.000 0.875 672 K CB 1.415 33.929 32.500 0.024 0.000 1.106 672 K HN -0.341 7.759 8.250 0.041 0.175 0.450 673 S N 6.558 122.203 115.700 -0.092 0.000 2.554 673 S HA 0.621 5.119 4.470 -0.250 -0.178 0.278 673 S C -0.703 173.737 174.600 -0.265 0.000 1.242 673 S CA 0.059 58.150 58.200 -0.182 0.000 1.051 673 S CB 1.128 64.276 63.200 -0.087 0.000 0.986 673 S HN 0.434 8.707 8.310 -0.062 0.000 0.502 674 S N 2.455 117.832 115.700 -0.540 0.000 2.720 674 S HA 0.543 4.866 4.470 -0.244 0.000 0.287 674 S C -2.105 172.230 174.600 -0.442 0.000 1.168 674 S CA -0.880 57.049 58.200 -0.453 0.000 0.832 674 S CB 1.366 64.324 63.200 -0.403 0.000 1.166 674 S HN 0.270 8.104 8.310 -0.793 0.000 0.493 675 T N -1.262 113.140 114.554 -0.253 0.000 2.901 675 T HA 0.978 5.339 4.350 -0.318 -0.203 0.293 675 T C -1.013 173.587 174.700 -0.167 0.000 1.084 675 T CA -1.706 60.232 62.100 -0.271 0.000 1.008 675 T CB 3.143 71.796 68.868 -0.358 0.000 1.170 675 T HN -0.102 8.039 8.240 -0.165 0.000 0.509 676 I N -0.334 120.105 120.570 -0.219 0.000 2.499 676 I HA 0.438 4.437 4.170 -0.285 0.000 0.288 676 I C -2.835 173.178 176.117 -0.173 0.000 1.048 676 I CA -2.708 58.423 61.300 -0.282 0.000 1.062 676 I CB 3.647 41.371 38.000 -0.460 0.000 1.238 676 I HN 0.266 8.332 8.210 -0.240 0.000 0.426 677 P HA 0.256 4.791 4.420 -0.064 -0.154 0.267 677 P C 0.458 177.726 177.300 -0.053 0.000 1.205 677 P CA -0.313 62.752 63.100 -0.058 0.000 0.765 677 P CB 0.130 31.820 31.700 -0.016 0.000 0.828 678 S N 3.430 119.103 115.700 -0.045 0.000 2.470 678 S HA -0.115 4.326 4.470 -0.048 0.000 0.225 678 S C 1.010 175.601 174.600 -0.015 0.000 1.006 678 S CA 2.043 60.222 58.200 -0.035 0.000 0.934 678 S CB 0.786 63.971 63.200 -0.026 0.000 0.778 678 S HN 0.254 8.540 8.310 -0.041 0.000 0.517 679 C N -0.219 119.075 119.300 -0.009 0.000 4.185 679 C HA -0.438 4.022 4.460 -0.000 0.000 0.297 679 C C -0.268 174.725 174.990 0.006 0.000 1.463 679 C CA 0.883 59.901 59.018 0.000 0.000 2.032 679 C CB -1.579 26.163 27.740 0.003 0.000 1.282 679 C HN 0.424 8.612 8.230 -0.012 0.036 0.770 680 G N -3.062 105.740 108.800 0.004 0.000 2.159 680 G HA2 -0.402 3.566 3.960 0.013 0.000 0.256 680 G HA3 -0.402 3.692 3.960 0.009 -0.128 0.256 680 G C -1.185 173.721 174.900 0.010 0.000 0.977 680 G CA 0.558 45.663 45.100 0.009 0.000 0.652 680 G HN -0.074 8.182 8.290 -0.001 0.033 0.531 681 L N -1.527 119.698 121.223 0.004 0.000 2.381 681 L HA 0.438 4.939 4.340 0.003 -0.159 0.268 681 L C -2.667 174.195 176.870 -0.013 0.000 0.997 681 L CA -1.502 53.339 54.840 0.000 0.000 0.818 681 L CB 3.570 45.633 42.059 0.006 0.000 1.310 681 L HN -0.495 7.583 8.230 0.000 0.152 0.416 682 Q N 1.524 121.314 119.800 -0.018 0.000 2.322 682 Q HA 0.343 4.806 4.340 -0.036 -0.145 0.265 682 Q C -1.075 174.896 176.000 -0.050 0.000 0.985 682 Q CA -1.495 54.289 55.803 -0.031 0.000 0.849 682 Q CB 3.272 31.998 28.738 -0.019 0.000 1.274 682 Q HN 0.486 8.748 8.270 -0.014 0.000 0.449 683 V N 8.714 128.589 119.914 -0.066 0.000 2.509 683 V HA 0.667 4.958 4.120 -0.077 -0.217 0.284 683 V C -0.869 175.156 176.094 -0.115 0.000 1.047 683 V CA -0.494 61.755 62.300 -0.085 0.000 0.952 683 V CB 1.391 33.164 31.823 -0.085 0.000 0.988 683 V HN 0.302 8.766 8.190 -0.069 -0.316 0.469 684 S N 5.569 121.196 115.700 -0.121 0.000 2.532 684 S HA 0.487 5.054 4.470 -0.148 -0.185 0.299 684 S C -1.168 173.353 174.600 -0.132 0.000 1.105 684 S CA -1.394 56.729 58.200 -0.128 0.000 1.018 684 S CB 2.422 65.561 63.200 -0.101 0.000 1.021 684 S HN 0.257 8.497 8.310 -0.117 0.000 0.483 685 I N 5.471 125.961 120.570 -0.132 0.000 2.353 685 I HA 0.473 4.747 4.170 -0.099 -0.163 0.293 685 I C -0.408 175.767 176.117 0.098 0.000 0.992 685 I CA -0.252 61.021 61.300 -0.045 0.000 1.268 685 I CB 1.236 39.209 38.000 -0.046 0.000 1.387 685 I HN 0.238 8.337 8.210 -0.185 0.000 0.478 686 I N 1.880 122.410 120.570 -0.066 0.000 3.206 686 I HA 0.318 4.209 4.170 -0.464 0.000 0.313 686 I C -1.592 174.248 176.117 -0.462 0.000 1.103 686 I CA -2.335 58.748 61.300 -0.361 0.000 0.985 686 I CB 3.079 40.824 38.000 -0.424 0.000 1.240 686 I HN -0.012 8.133 8.210 -0.108 0.000 0.464 687 D N -1.254 118.585 120.400 -0.934 0.000 4.520 687 D HA -0.286 3.946 4.640 -0.680 0.000 0.245 687 D C -1.964 173.972 176.300 -0.607 0.000 1.068 687 D CA 1.060 54.658 54.000 -0.669 0.000 1.211 687 D CB -1.207 39.387 40.800 -0.343 0.000 0.818 687 D HN 0.140 7.799 8.370 -1.186 0.000 0.392 688 Y N -0.976 119.239 120.300 -0.141 0.000 2.708 688 Y HA 0.177 4.530 4.550 -0.329 0.000 0.287 688 Y C 2.026 177.846 175.900 -0.132 0.000 1.145 688 Y CA -2.107 55.892 58.100 -0.169 0.000 1.249 688 Y CB -0.594 37.840 38.460 -0.044 0.000 1.152 688 Y HN 0.167 8.146 8.280 -0.502 0.000 0.532 689 T N 3.551 118.058 114.554 -0.078 0.000 2.803 689 T HA -0.342 3.988 4.350 -0.035 0.000 0.269 689 T C 0.024 174.701 174.700 -0.038 0.000 1.052 689 T CA 5.360 67.428 62.100 -0.053 0.000 1.136 689 T CB 0.030 68.860 68.868 -0.064 0.000 0.864 689 T HN -0.446 7.858 8.240 -0.149 -0.153 0.467 690 L N -2.971 118.223 121.223 -0.048 0.000 2.766 690 L HA 0.220 4.546 4.340 -0.024 0.000 0.242 690 L C -1.028 175.858 176.870 0.028 0.000 1.136 690 L CA -1.461 53.369 54.840 -0.017 0.000 0.933 690 L CB 0.220 42.280 42.059 0.002 0.000 1.241 690 L HN -0.176 7.988 8.230 -0.082 0.017 0.522 691 S N -0.751 114.944 115.700 -0.008 0.000 2.600 691 S HA -0.038 4.625 4.470 -0.102 -0.255 0.265 691 S C -0.812 173.841 174.600 0.089 0.000 1.325 691 S CA 0.958 59.144 58.200 -0.023 0.000 1.002 691 S CB 0.922 64.149 63.200 0.045 0.000 0.921 691 S HN -0.746 7.443 8.310 -0.010 0.115 0.554 692 R N 0.784 121.309 120.500 0.041 0.000 2.673 692 R HA 0.941 5.647 4.340 0.230 -0.228 0.281 692 R C -2.278 174.092 176.300 0.117 0.000 0.991 692 R CA -1.590 54.600 56.100 0.150 0.000 0.896 692 R CB 3.729 34.147 30.300 0.196 0.000 1.201 692 R HN -0.015 8.176 8.270 -0.131 0.000 0.457 693 L N -1.294 120.015 121.223 0.143 0.000 2.801 693 L HA 0.889 5.514 4.340 0.072 -0.242 0.264 693 L C -2.549 174.345 176.870 0.040 0.000 1.086 693 L CA -1.323 53.578 54.840 0.101 0.000 0.920 693 L CB 3.542 45.689 42.059 0.146 0.000 1.529 693 L HN 0.431 8.755 8.230 0.156 0.000 0.399 694 E N -3.337 116.850 120.200 -0.021 0.000 2.392 694 E HA 0.731 5.251 4.350 0.002 -0.169 0.279 694 E C -2.275 174.298 176.600 -0.045 0.000 0.964 694 E CA -1.240 55.142 56.400 -0.030 0.000 0.777 694 E CB 4.416 34.078 29.700 -0.063 0.000 1.249 694 E HN 0.217 8.552 8.360 -0.042 0.000 0.449 695 R N 2.431 122.913 120.500 -0.029 0.000 2.533 695 R HA 0.359 4.674 4.340 -0.042 0.000 0.288 695 R C -1.501 174.786 176.300 -0.022 0.000 1.039 695 R CA 0.098 56.179 56.100 -0.032 0.000 0.909 695 R CB 2.986 33.269 30.300 -0.028 0.000 1.195 695 R HN -0.097 8.163 8.270 -0.016 0.000 0.438 696 D N 4.779 125.164 120.400 -0.024 0.000 2.772 696 D HA -0.311 4.319 4.640 -0.017 0.000 0.233 696 D C 0.099 176.392 176.300 -0.012 0.000 1.143 696 D CA 1.237 55.227 54.000 -0.016 0.000 0.700 696 D CB -1.724 39.070 40.800 -0.010 0.000 1.076 696 D HN 0.704 9.056 8.370 -0.030 0.000 0.430 697 G N -5.354 103.434 108.800 -0.019 0.000 2.184 697 G HA2 -0.479 3.475 3.960 -0.010 0.000 0.264 697 G HA3 -0.479 3.610 3.960 -0.024 -0.144 0.264 697 G C -0.314 174.586 174.900 -0.000 0.000 0.975 697 G CA 0.263 45.354 45.100 -0.015 0.000 0.642 697 G HN 0.376 8.626 8.290 -0.029 0.022 0.536 698 I N 3.441 124.014 120.570 0.006 0.000 2.312 698 I HA 0.024 4.215 4.170 0.034 0.000 0.291 698 I C -1.073 175.067 176.117 0.038 0.000 1.031 698 I CA -1.972 59.344 61.300 0.026 0.000 1.293 698 I CB -0.916 37.099 38.000 0.024 0.000 1.403 698 I HN -0.511 7.530 8.210 -0.001 0.168 0.484 699 V N 8.381 128.336 119.914 0.070 0.000 2.481 699 V HA 0.270 4.588 4.120 0.068 -0.156 0.286 699 V C -0.245 175.982 176.094 0.223 0.000 1.042 699 V CA -0.669 61.694 62.300 0.105 0.000 0.928 699 V CB 1.038 32.891 31.823 0.050 0.000 0.986 699 V HN 0.249 8.486 8.190 0.078 0.000 0.462 700 V N 8.558 128.608 119.914 0.226 0.000 2.444 700 V HA 0.334 4.584 4.120 0.216 0.000 0.294 700 V C -2.028 174.274 176.094 0.346 0.000 1.022 700 V CA -0.591 61.845 62.300 0.227 0.000 0.850 700 V CB 1.742 33.626 31.823 0.101 0.000 0.992 700 V HN 0.747 9.043 8.190 0.177 0.000 0.426 701 F N 3.266 123.246 119.950 0.049 0.000 2.773 701 F HA 0.764 5.544 4.527 0.065 -0.213 0.314 701 F C -1.848 173.983 175.800 0.052 0.000 1.160 701 F CA -2.260 55.783 58.000 0.072 0.000 0.920 701 F CB 2.377 41.453 39.000 0.127 0.000 1.323 701 F HN -0.341 8.022 8.300 0.104 0.000 0.457 702 C N 3.037 122.318 119.300 -0.032 0.000 2.239 702 C HA 0.111 4.383 4.460 -0.313 0.000 0.325 702 C C -0.943 173.950 174.990 -0.161 0.000 1.231 702 C CA -1.481 57.421 59.018 -0.194 0.000 1.652 702 C CB 1.610 29.295 27.740 -0.093 0.000 2.284 702 C HN 0.359 8.701 8.230 0.187 0.000 0.499 703 D N 8.447 128.637 120.400 -0.349 0.000 2.359 703 D HA -0.032 4.759 4.640 0.250 0.000 0.250 703 D C -0.217 176.003 176.300 -0.133 0.000 1.264 703 D CA -0.011 53.950 54.000 -0.065 0.000 0.911 703 D CB -0.043 40.717 40.800 -0.066 0.000 1.056 703 D HN 0.391 8.469 8.370 -0.486 0.000 0.499 704 V N 2.343 122.047 119.914 -0.350 0.000 3.249 704 V HA 0.313 4.302 4.120 -0.219 0.000 0.338 704 V C -0.047 175.929 176.094 -0.198 0.000 1.363 704 V CA -1.768 60.304 62.300 -0.380 0.000 1.205 704 V CB -0.487 30.983 31.823 -0.587 0.000 1.164 704 V HN -0.117 7.743 8.190 -0.550 0.000 0.458 708 E N 2.545 122.809 120.200 0.107 0.000 2.083 708 E HA -0.129 4.345 4.350 0.207 0.000 0.193 708 E C 0.890 177.558 176.600 0.114 0.000 0.950 708 E CA 1.087 57.572 56.400 0.141 0.000 0.849 708 E CB 0.287 30.035 29.700 0.079 0.000 0.827 708 E HN 0.217 8.610 8.360 0.055 0.000 0.465 709 D N 1.725 122.130 120.400 0.009 0.000 2.182 709 D HA -0.205 4.427 4.640 -0.015 0.000 0.201 709 D C 2.601 178.818 176.300 -0.139 0.000 0.986 709 D CA 2.545 56.518 54.000 -0.044 0.000 0.847 709 D CB -0.443 40.324 40.800 -0.056 0.000 0.942 709 D HN 0.045 8.416 8.370 0.001 0.000 0.467 710 L N -0.237 120.792 121.223 -0.322 0.000 2.187 710 L HA -0.266 3.742 4.340 -0.553 0.000 0.213 710 L C 0.487 176.952 176.870 -0.674 0.000 1.100 710 L CA 2.643 57.069 54.840 -0.689 0.000 0.765 710 L CB 0.206 41.595 42.059 -1.115 0.000 0.904 710 L HN -0.574 7.713 8.230 -0.295 -0.234 0.437 711 F N -7.958 112.021 119.950 0.047 0.000 2.653 711 F HA 0.265 4.924 4.527 0.219 0.000 0.304 711 F C 0.317 176.192 175.800 0.124 0.000 1.092 711 F CA -0.689 57.395 58.000 0.139 0.000 1.279 711 F CB 0.408 39.491 39.000 0.138 0.000 1.044 711 F HN -0.598 7.623 8.300 -0.074 0.035 0.564 712 T N -2.534 112.113 114.554 0.155 0.000 3.228 712 T HA 0.137 4.567 4.350 0.132 0.000 0.278 712 T C 0.596 175.296 174.700 -0.000 0.000 1.014 712 T CA -0.743 61.414 62.100 0.096 0.000 0.904 712 T CB -0.291 68.615 68.868 0.063 0.000 1.110 712 T HN -0.526 7.709 8.240 0.074 0.049 0.541 713 G N 2.099 110.886 108.800 -0.022 0.000 2.606 713 G HA2 -0.114 3.437 3.960 -0.682 0.000 0.252 713 G HA3 -0.114 3.560 3.960 -0.476 0.000 0.252 713 G C -1.889 172.889 174.900 -0.202 0.000 1.206 713 G CA -0.255 44.619 45.100 -0.376 0.000 0.861 713 G HN -0.079 8.271 8.290 0.099 0.000 0.561 714 D N -3.052 117.131 120.400 -0.362 0.000 2.599 714 D HA -0.070 4.634 4.640 0.107 0.000 0.252 714 D C 0.227 176.557 176.300 0.051 0.000 1.232 714 D CA -1.379 52.603 54.000 -0.030 0.000 0.819 714 D CB 2.066 42.856 40.800 -0.016 0.000 1.401 714 D HN -0.122 7.867 8.370 -0.635 0.000 0.429 715 G N -1.892 107.006 108.800 0.162 0.000 2.157 715 G HA2 -0.270 3.776 3.960 0.144 0.000 0.239 715 G HA3 -0.270 3.769 3.960 0.132 0.000 0.239 715 G C -1.437 173.618 174.900 0.258 0.000 0.982 715 G CA 0.253 45.457 45.100 0.174 0.000 0.650 715 G HN 0.410 8.797 8.290 0.162 0.000 0.527 716 D N -2.097 118.523 120.400 0.367 0.000 2.769 716 D HA 0.063 4.832 4.640 0.216 0.000 0.219 716 D C -0.889 175.587 176.300 0.293 0.000 1.245 716 D CA -0.575 53.604 54.000 0.298 0.000 0.801 716 D CB 1.386 42.365 40.800 0.299 0.000 1.598 716 D HN -0.923 7.707 8.370 0.433 0.000 0.485 717 Y N 6.443 126.789 120.300 0.078 0.000 2.315 717 Y HA -0.258 4.512 4.550 0.048 -0.191 0.288 717 Y C 1.139 177.008 175.900 -0.051 0.000 1.154 717 Y CA 1.430 59.560 58.100 0.051 0.000 1.229 717 Y CB 0.353 38.843 38.460 0.050 0.000 0.980 717 Y HN 0.655 9.122 8.280 0.311 0.000 0.540 718 Q N -0.856 118.850 119.800 -0.157 0.000 2.156 718 Q HA -0.499 3.220 4.340 -1.035 0.000 0.211 718 Q C 2.378 177.894 176.000 -0.808 0.000 0.995 718 Q CA 3.498 58.866 55.803 -0.724 0.000 0.877 718 Q CB -0.305 27.998 28.738 -0.726 0.000 0.920 718 Q HN -0.247 8.394 8.270 0.066 -0.331 0.416 719 F N -5.654 114.243 119.950 -0.087 0.000 2.456 719 F HA -0.134 4.513 4.527 0.201 0.000 0.298 719 F C 1.969 177.787 175.800 0.031 0.000 1.104 719 F CA 2.515 60.560 58.000 0.075 0.000 1.435 719 F CB -0.354 38.747 39.000 0.168 0.000 1.078 719 F HN -0.553 7.628 8.300 -0.177 0.013 0.546 720 D N -1.012 119.425 120.400 0.061 0.000 2.178 720 D HA -0.248 4.472 4.640 0.133 0.000 0.202 720 D C 1.549 177.739 176.300 -0.183 0.000 0.974 720 D CA 3.318 57.337 54.000 0.032 0.000 0.841 720 D CB -0.173 40.717 40.800 0.149 0.000 0.953 720 D HN -0.482 7.832 8.370 0.055 0.089 0.478 721 I N -1.109 119.105 120.570 -0.593 0.000 2.226 721 I HA -0.420 3.335 4.170 -0.691 0.000 0.245 721 I C 1.551 177.422 176.117 -0.409 0.000 1.100 721 I CA 2.167 62.965 61.300 -0.837 0.000 1.374 721 I CB -1.128 35.812 38.000 -1.766 0.000 1.057 721 I HN -0.774 6.888 8.210 -0.742 0.103 0.413 722 Y N -4.756 115.526 120.300 -0.030 0.000 2.165 722 Y HA -0.409 4.336 4.550 0.325 0.000 0.286 722 Y C 2.399 178.586 175.900 0.478 0.000 1.155 722 Y CA 2.791 61.046 58.100 0.259 0.000 1.164 722 Y CB -0.894 37.648 38.460 0.135 0.000 0.978 722 Y HN -0.913 7.059 8.280 -0.514 0.000 0.513 723 R N -2.046 118.741 120.500 0.478 0.000 2.092 723 R HA -0.267 4.340 4.340 0.445 0.000 0.231 723 R C 1.146 177.552 176.300 0.177 0.000 1.119 723 R CA 2.724 59.038 56.100 0.357 0.000 0.970 723 R CB 0.272 30.726 30.300 0.257 0.000 0.864 723 R HN -0.717 7.776 8.270 0.372 0.000 0.440 727 K N 0.752 121.085 120.400 -0.111 0.000 2.026 727 K HA -0.288 3.964 4.320 -0.113 0.000 0.208 727 K C 1.988 178.485 176.600 -0.171 0.000 1.048 727 K CA 2.902 59.122 56.287 -0.112 0.000 0.929 727 K CB 0.204 32.673 32.500 -0.052 0.000 0.713 727 K HN -0.204 8.016 8.250 -0.049 0.000 0.439 728 E N 0.370 120.460 120.200 -0.183 0.000 2.077 728 E HA -0.282 3.965 4.350 -0.172 0.000 0.193 728 E C 0.458 176.744 176.600 -0.523 0.000 0.989 728 E CA 2.724 58.982 56.400 -0.236 0.000 0.800 728 E CB -0.260 29.379 29.700 -0.102 0.000 0.746 728 E HN -0.237 8.038 8.360 -0.142 0.000 0.452 729 N N -5.655 112.624 118.700 -0.702 0.000 2.230 729 N HA -0.082 3.782 4.740 -1.460 0.000 0.202 729 N C -0.874 174.307 175.510 -0.549 0.000 1.119 729 N CA -1.282 51.168 53.050 -1.000 0.000 0.851 729 N CB -0.663 37.165 38.487 -1.098 0.000 0.990 729 N HN -0.177 7.845 8.380 -0.596 0.000 0.497 730 N N -0.521 117.955 118.700 -0.373 0.000 2.716 730 N HA -0.475 4.188 4.740 -0.190 -0.037 0.250 730 N C -1.034 174.349 175.510 -0.212 0.000 1.033 730 N CA 1.573 54.486 53.050 -0.228 0.000 0.727 730 N CB -2.282 36.117 38.487 -0.147 0.000 0.950 730 N HN -0.475 7.635 8.380 -0.351 0.059 0.541 731 N N -6.573 111.942 118.700 -0.307 0.000 2.741 731 N HA -0.502 4.180 4.740 -0.157 -0.036 0.251 731 N C -1.472 173.958 175.510 -0.133 0.000 1.112 731 N CA 2.055 55.010 53.050 -0.158 0.000 0.750 731 N CB -0.453 38.053 38.487 0.032 0.000 1.119 731 N HN -0.024 8.269 8.380 -0.406 -0.157 0.561 732 R N -1.407 118.895 120.500 -0.330 0.000 2.278 732 R HA 0.179 4.545 4.340 0.043 0.000 0.322 732 R C 0.198 176.360 176.300 -0.231 0.000 1.058 732 R CA -1.248 54.771 56.100 -0.135 0.000 0.991 732 R CB 0.065 30.321 30.300 -0.074 0.000 1.140 732 R HN -0.192 7.742 8.270 -0.441 0.072 0.518 733 W N 3.123 124.458 121.300 0.059 0.000 3.003 733 W HA 0.094 4.799 4.660 0.075 0.000 0.257 733 W C 1.216 177.529 176.519 -0.343 0.000 1.308 733 W CA 1.755 59.142 57.345 0.070 0.000 1.529 733 W CB -0.083 29.573 29.460 0.326 0.000 1.115 733 W HN 0.798 9.242 8.180 0.440 0.000 0.659 734 G N -1.341 107.140 108.800 -0.533 0.000 2.464 734 G HA2 -0.190 3.217 3.960 -0.920 0.000 0.217 734 G HA3 -0.190 2.548 3.960 -2.036 0.000 0.217 734 G C -0.924 173.734 174.900 -0.403 0.000 1.138 734 G CA 0.169 44.629 45.100 -1.067 0.000 0.793 734 G HN 0.272 8.382 8.290 -0.252 0.029 0.539 735 E N -0.104 120.001 120.200 -0.159 0.000 2.408 735 E HA -0.142 4.179 4.350 -0.049 0.000 0.259 735 E C -1.206 175.438 176.600 0.073 0.000 1.110 735 E CA -0.163 56.223 56.400 -0.023 0.000 0.929 735 E CB 0.943 30.689 29.700 0.076 0.000 0.971 735 E HN -0.795 7.485 8.360 -0.134 0.000 0.438 736 Y N 3.119 123.331 120.300 -0.146 0.000 2.404 736 Y HA 0.060 4.722 4.550 -0.044 -0.138 0.344 736 Y C -1.195 174.541 175.900 -0.273 0.000 0.970 736 Y CA -0.425 57.601 58.100 -0.124 0.000 1.180 736 Y CB 0.468 38.866 38.460 -0.104 0.000 1.138 736 Y HN 0.104 8.410 8.280 0.045 0.000 0.510 737 H N 8.651 127.562 119.070 -0.264 0.000 2.675 737 H HA 0.456 4.799 4.556 -0.356 0.000 0.258 737 H C -1.601 173.538 175.328 -0.315 0.000 1.271 737 H CA -1.965 53.899 56.048 -0.308 0.000 1.462 737 H CB 0.956 30.626 29.762 -0.154 0.000 1.467 737 H HN 0.479 9.154 8.280 0.035 -0.374 0.501 738 P HA -0.035 4.315 4.420 -0.117 0.000 0.234 738 P C 0.326 177.643 177.300 0.029 0.000 1.167 738 P CA 1.138 64.105 63.100 -0.221 0.000 0.763 738 P CB 0.138 31.673 31.700 -0.276 0.000 0.835 739 Y N 0.604 120.863 120.300 -0.068 0.000 2.315 739 Y HA -0.395 4.158 4.550 0.005 0.000 0.288 739 Y C 0.719 176.623 175.900 0.007 0.000 1.154 739 Y CA 2.110 60.201 58.100 -0.014 0.000 1.229 739 Y CB -0.635 37.810 38.460 -0.025 0.000 0.980 739 Y HN 0.051 8.374 8.280 0.145 0.044 0.540 740 S N -1.013 114.700 115.700 0.021 0.000 2.399 740 S HA -0.508 3.886 4.470 -0.126 0.000 0.231 740 S C 1.841 176.483 174.600 0.069 0.000 1.022 740 S CA 3.391 61.590 58.200 -0.001 0.000 0.983 740 S CB -0.306 62.982 63.200 0.147 0.000 0.803 740 S HN -0.140 8.206 8.310 0.091 0.018 0.480 741 N N 1.986 120.752 118.700 0.110 0.000 2.188 741 N HA -0.248 4.665 4.740 0.289 0.000 0.184 741 N C 1.983 177.542 175.510 0.082 0.000 1.018 741 N CA 2.712 55.868 53.050 0.178 0.000 0.858 741 N CB -0.475 38.124 38.487 0.187 0.000 0.989 741 N HN -0.528 7.903 8.380 0.094 0.005 0.426 742 V N 1.189 121.059 119.914 -0.074 0.000 2.343 742 V HA -0.399 3.687 4.120 -0.056 0.000 0.247 742 V C 1.658 177.592 176.094 -0.267 0.000 1.051 742 V CA 3.971 66.168 62.300 -0.171 0.000 1.036 742 V CB -0.131 31.540 31.823 -0.252 0.000 0.654 742 V HN -0.850 7.193 8.190 -0.099 0.087 0.451 743 L N -0.439 120.506 121.223 -0.464 0.000 2.042 743 L HA -0.377 3.715 4.340 -0.412 0.000 0.210 743 L C 2.541 179.204 176.870 -0.345 0.000 1.076 743 L CA 3.646 58.207 54.840 -0.465 0.000 0.749 743 L CB -0.416 41.278 42.059 -0.609 0.000 0.893 743 L HN -0.350 7.541 8.230 -0.564 0.000 0.432 744 W N -2.398 118.835 121.300 -0.111 0.000 2.358 744 W HA -0.367 4.242 4.660 -0.086 0.000 0.303 744 W C 2.415 178.978 176.519 0.074 0.000 1.208 744 W CA 3.791 61.109 57.345 -0.045 0.000 1.274 744 W CB -0.108 29.315 29.460 -0.062 0.000 1.138 744 W HN -0.545 7.584 8.180 -0.085 0.000 0.515 745 L N -2.359 119.007 121.223 0.239 0.000 2.131 745 L HA -0.551 3.929 4.340 0.233 0.000 0.210 745 L C 1.828 178.782 176.870 0.140 0.000 1.092 745 L CA 3.667 58.624 54.840 0.195 0.000 0.759 745 L CB -0.649 41.504 42.059 0.157 0.000 0.903 745 L HN -0.069 8.274 8.230 0.188 0.000 0.435 746 H N 0.665 119.714 119.070 -0.035 0.000 2.357 746 H HA -0.379 4.092 4.556 -0.142 0.000 0.301 746 H C 1.808 177.205 175.328 0.115 0.000 1.082 746 H CA 4.421 60.429 56.048 -0.066 0.000 1.342 746 H CB 0.801 30.482 29.762 -0.134 0.000 1.389 746 H HN -0.160 8.087 8.280 0.110 0.099 0.511 747 Y N 0.761 121.054 120.300 -0.012 0.000 2.224 747 Y HA -0.412 4.247 4.550 0.182 0.000 0.289 747 Y C 1.433 177.339 175.900 0.009 0.000 1.146 747 Y CA 3.639 61.724 58.100 -0.026 0.000 1.182 747 Y CB -0.223 38.034 38.460 -0.337 0.000 0.983 747 Y HN -0.240 8.159 8.280 0.198 0.000 0.524 748 L N -3.813 117.384 121.223 -0.043 0.000 2.109 748 L HA -0.326 3.800 4.340 -0.358 0.000 0.207 748 L C 1.430 178.254 176.870 -0.077 0.000 1.086 748 L CA 2.457 57.229 54.840 -0.113 0.000 0.760 748 L CB -0.122 42.024 42.059 0.146 0.000 0.910 748 L HN -0.440 7.922 8.230 0.219 0.000 0.437 749 T N -1.752 112.810 114.554 0.013 0.000 2.777 749 T HA -0.262 4.159 4.350 0.119 0.000 0.266 749 T C 0.954 175.655 174.700 0.002 0.000 1.040 749 T CA 3.895 66.046 62.100 0.085 0.000 1.141 749 T CB 0.310 69.287 68.868 0.183 0.000 0.868 749 T HN -0.364 7.896 8.240 0.035 0.000 0.444 750 D N 1.862 122.218 120.400 -0.072 0.000 2.123 750 D HA -0.288 4.236 4.640 -0.193 0.000 0.196 750 D C 0.622 176.772 176.300 -0.251 0.000 0.992 750 D CA 2.849 56.757 54.000 -0.153 0.000 0.833 750 D CB 0.486 41.207 40.800 -0.132 0.000 0.954 750 D HN -0.325 7.973 8.370 -0.120 0.000 0.455 754 K N -2.924 117.416 120.400 -0.100 0.000 2.436 754 K HA 0.141 4.412 4.320 -0.082 0.000 0.198 754 K C -0.030 176.526 176.600 -0.072 0.000 1.174 754 K CA 0.230 56.456 56.287 -0.101 0.000 0.951 754 K CB 1.889 34.300 32.500 -0.147 0.000 1.040 754 K HN -0.198 7.982 8.250 -0.118 0.000 0.536 758 F N 4.419 124.377 119.950 0.013 0.000 2.458 758 F HA 0.374 5.041 4.527 0.012 -0.133 0.330 758 F C 0.853 176.657 175.800 0.006 0.000 1.082 758 F CA -1.226 56.780 58.000 0.010 0.000 0.995 758 F CB 2.534 41.538 39.000 0.007 0.000 1.170 758 F HN 0.300 8.697 8.300 0.162 0.000 0.478 759 K N 1.106 121.606 120.400 0.167 0.000 2.147 759 K HA -0.174 4.184 4.320 0.062 0.000 0.205 759 K C 0.517 177.173 176.600 0.093 0.000 1.049 759 K CA 2.809 59.152 56.287 0.092 0.000 0.936 759 K CB 0.349 32.891 32.500 0.070 0.000 0.722 759 K HN 0.058 8.420 8.250 0.186 0.000 0.446 760 T N 0.963 115.589 114.554 0.120 0.000 2.812 760 T HA 0.188 4.574 4.350 0.061 0.000 0.282 760 T C -1.630 173.117 174.700 0.079 0.000 0.990 760 T CA -0.038 62.107 62.100 0.076 0.000 0.960 760 T CB 1.544 70.439 68.868 0.045 0.000 0.948 760 T HN -0.456 7.870 8.240 0.159 0.011 0.438 761 K N 4.617 125.050 120.400 0.056 0.000 2.117 761 K HA 0.058 4.411 4.320 0.056 0.000 0.240 761 K C -0.425 176.171 176.600 -0.006 0.000 1.031 761 K CA -0.814 55.496 56.287 0.038 0.000 0.909 761 K CB 0.766 33.289 32.500 0.038 0.000 1.097 761 K HN 0.156 8.436 8.250 0.049 0.000 0.492 762 C N 0.576 119.861 119.300 -0.024 0.000 2.555 762 C HA -0.079 4.351 4.460 -0.050 0.000 0.385 762 C C -1.115 173.862 174.990 -0.022 0.000 1.296 762 C CA 0.789 59.783 59.018 -0.040 0.000 1.757 762 C CB 0.303 28.010 27.740 -0.055 0.000 2.445 762 C HN 0.256 8.474 8.230 -0.019 0.000 0.571 763 N N 3.826 122.514 118.700 -0.020 0.000 2.142 763 N HA 0.060 4.794 4.740 -0.010 0.000 0.233 763 N C -1.329 174.173 175.510 -0.013 0.000 1.335 763 N CA 0.068 53.111 53.050 -0.012 0.000 0.837 763 N CB 1.098 39.581 38.487 -0.006 0.000 1.238 763 N HN 0.386 8.751 8.380 -0.025 0.000 0.501 764 T N -2.618 111.926 114.554 -0.017 0.000 2.896 764 T HA 0.550 4.893 4.350 -0.012 0.000 0.297 764 T C -1.491 173.199 174.700 -0.018 0.000 1.108 764 T CA -3.033 59.057 62.100 -0.015 0.000 1.004 764 T CB 1.212 70.071 68.868 -0.015 0.000 1.159 764 T HN -0.517 7.709 8.240 -0.022 0.000 0.499 765 P HA -0.183 4.229 4.420 -0.014 0.000 0.215 765 P C -0.148 177.140 177.300 -0.019 0.000 1.157 765 P CA 1.478 64.569 63.100 -0.015 0.000 0.874 765 P CB -0.251 31.442 31.700 -0.011 0.000 0.790 769 Q N 0.647 120.426 119.800 -0.035 0.000 2.163 769 Q HA -0.132 4.192 4.340 -0.026 0.000 0.198 769 Q C 1.377 177.352 176.000 -0.043 0.000 0.954 769 Q CA 2.882 58.665 55.803 -0.032 0.000 0.851 769 Q CB 0.595 29.317 28.738 -0.027 0.000 0.928 769 Q HN -0.271 7.979 8.270 -0.034 0.000 0.459 770 I N -0.695 119.841 120.570 -0.056 0.000 2.208 770 I HA -0.452 3.674 4.170 -0.073 0.000 0.245 770 I C 1.644 177.714 176.117 -0.078 0.000 1.097 770 I CA 2.627 63.882 61.300 -0.074 0.000 1.363 770 I CB -1.089 36.856 38.000 -0.091 0.000 1.051 770 I HN -0.677 7.500 8.210 -0.055 0.000 0.413 771 K N -0.727 119.628 120.400 -0.075 0.000 2.057 771 K HA -0.428 3.841 4.320 -0.084 0.000 0.207 771 K C 2.144 178.719 176.600 -0.041 0.000 1.049 771 K CA 3.783 60.028 56.287 -0.069 0.000 0.931 771 K CB -0.226 32.236 32.500 -0.064 0.000 0.714 771 K HN 0.036 8.239 8.250 -0.073 0.003 0.440 772 R N -2.184 118.297 120.500 -0.031 0.000 2.096 772 R HA -0.249 4.264 4.340 -0.007 -0.177 0.235 772 R C 2.782 179.083 176.300 0.001 0.000 1.127 772 R CA 3.275 59.368 56.100 -0.012 0.000 0.968 772 R CB -0.061 30.234 30.300 -0.009 0.000 0.861 772 R HN -0.603 7.646 8.270 -0.034 0.000 0.440 773 K N -0.737 119.652 120.400 -0.018 0.000 2.097 773 K HA -0.293 4.033 4.320 0.009 0.000 0.205 773 K C 2.332 178.928 176.600 -0.007 0.000 1.050 773 K CA 3.555 59.831 56.287 -0.018 0.000 0.938 773 K CB -0.175 32.285 32.500 -0.066 0.000 0.718 773 K HN -0.477 7.671 8.250 -0.033 0.082 0.442 774 I N -0.405 120.149 120.570 -0.026 0.000 2.315 774 I HA -0.549 3.626 4.170 0.008 0.000 0.248 774 I C 1.612 177.795 176.117 0.110 0.000 1.117 774 I CA 4.100 65.411 61.300 0.019 0.000 1.404 774 I CB -0.213 37.775 38.000 -0.021 0.000 1.071 774 I HN -0.340 7.843 8.210 -0.044 0.000 0.419 775 Q N -0.935 118.899 119.800 0.056 0.000 2.124 775 Q HA -0.435 3.934 4.340 0.047 0.000 0.202 775 Q C 2.307 178.390 176.000 0.138 0.000 0.977 775 Q CA 3.437 59.279 55.803 0.065 0.000 0.850 775 Q CB -0.276 28.470 28.738 0.014 0.000 0.901 775 Q HN -0.217 8.066 8.270 0.022 0.000 0.429 776 E N -0.301 119.977 120.200 0.130 0.000 2.077 776 E HA -0.314 4.121 4.350 0.142 0.000 0.193 776 E C 2.022 178.772 176.600 0.249 0.000 0.989 776 E CA 2.904 59.403 56.400 0.165 0.000 0.800 776 E CB -0.034 29.750 29.700 0.139 0.000 0.746 776 E HN -0.506 7.914 8.360 0.099 0.000 0.452 777 F N 0.279 120.251 119.950 0.037 0.000 2.095 777 F HA -0.358 4.039 4.527 -0.217 0.000 0.298 777 F C 2.395 178.200 175.800 0.007 0.000 1.104 777 F CA 2.780 60.702 58.000 -0.130 0.000 1.232 777 F CB -0.091 38.726 39.000 -0.304 0.000 0.987 777 F HN -0.426 8.057 8.300 0.305 0.000 0.475 778 H N 0.590 119.683 119.070 0.038 0.000 2.352 778 H HA -0.350 4.172 4.556 -0.057 0.000 0.299 778 H C 1.487 176.862 175.328 0.079 0.000 1.097 778 H CA 3.996 60.044 56.048 -0.001 0.000 1.311 778 H CB 0.666 30.427 29.762 -0.002 0.000 1.377 778 H HN -0.419 8.061 8.280 0.333 0.000 0.504 779 R N -5.265 115.326 120.500 0.152 0.000 2.310 779 R HA 0.090 4.463 4.340 0.055 0.000 0.202 779 R C 0.156 176.492 176.300 0.060 0.000 0.933 779 R CA 0.269 56.426 56.100 0.095 0.000 1.054 779 R CB 0.184 30.562 30.300 0.130 0.000 0.985 779 R HN -0.636 7.654 8.270 0.200 0.100 0.489 783 N N 0.634 119.467 118.700 0.222 0.000 2.313 783 N HA 0.015 4.775 4.740 0.033 0.000 0.207 783 N C -0.600 174.914 175.510 0.007 0.000 1.141 783 N CA 0.512 53.617 53.050 0.091 0.000 0.830 783 N CB 0.625 39.112 38.487 0.000 0.000 1.008 783 N HN -0.370 8.173 8.380 0.271 0.000 0.481 784 F N -2.232 117.788 119.950 0.116 0.000 2.507 784 F HA 0.169 4.864 4.527 0.101 -0.107 0.327 784 F C 0.234 176.152 175.800 0.197 0.000 1.068 784 F CA -1.451 56.629 58.000 0.133 0.000 0.965 784 F CB 3.048 42.140 39.000 0.153 0.000 1.192 784 F HN -0.758 7.803 8.300 0.563 0.077 0.476 785 S N 0.373 116.250 115.700 0.295 0.000 2.524 785 S HA -0.022 4.579 4.470 0.217 0.000 0.216 785 S C -0.302 174.447 174.600 0.250 0.000 0.987 785 S CA 0.985 59.313 58.200 0.215 0.000 0.909 785 S CB 1.132 64.374 63.200 0.069 0.000 0.781 785 S HN -0.015 8.718 8.310 0.269 -0.262 0.521 786 S N -3.712 112.144 115.700 0.260 0.000 2.611 786 S HA 0.203 4.934 4.470 0.167 -0.161 0.270 786 S C -1.147 173.575 174.600 0.204 0.000 1.131 786 S CA -0.949 57.367 58.200 0.193 0.000 0.826 786 S CB 2.467 65.760 63.200 0.155 0.000 1.095 786 S HN -0.938 7.558 8.310 0.310 0.000 0.461 787 A N 0.600 123.526 122.820 0.177 0.000 1.972 787 A HA -0.174 4.241 4.320 0.158 0.000 0.219 787 A C 1.657 179.337 177.584 0.160 0.000 1.169 787 A CA 3.467 55.602 52.037 0.163 0.000 0.635 787 A CB -0.286 18.809 19.000 0.159 0.000 0.810 787 A HN 0.712 9.317 8.150 0.174 -0.351 0.446 788 T N 0.613 115.271 114.554 0.174 0.000 2.708 788 T HA -0.392 4.043 4.350 0.142 0.000 0.266 788 T C 1.532 176.353 174.700 0.202 0.000 1.037 788 T CA 5.948 68.149 62.100 0.168 0.000 1.146 788 T CB -0.432 68.539 68.868 0.171 0.000 0.865 788 T HN -0.185 8.459 8.240 0.184 -0.293 0.435 789 D N 1.439 121.985 120.400 0.244 0.000 2.117 789 D HA -0.196 4.618 4.640 0.290 0.000 0.197 789 D C 2.041 178.610 176.300 0.447 0.000 0.987 789 D CA 3.055 57.258 54.000 0.338 0.000 0.829 789 D CB -0.021 40.994 40.800 0.358 0.000 0.961 789 D HN -0.617 7.893 8.370 0.234 0.000 0.460 790 L N -1.547 119.879 121.223 0.339 0.000 1.994 790 L HA -0.389 3.876 4.340 -0.125 0.000 0.208 790 L C 2.380 179.447 176.870 0.328 0.000 1.071 790 L CA 3.339 58.277 54.840 0.162 0.000 0.745 790 L CB -0.195 41.948 42.059 0.139 0.000 0.892 790 L HN -0.591 7.819 8.230 0.301 0.000 0.431 791 L N -0.711 120.648 121.223 0.227 0.000 2.012 791 L HA -0.302 4.035 4.340 -0.006 0.000 0.210 791 L C 1.205 178.216 176.870 0.234 0.000 1.073 791 L CA 3.129 58.037 54.840 0.113 0.000 0.748 791 L CB -0.092 41.951 42.059 -0.026 0.000 0.891 791 L HN -0.070 8.265 8.230 0.175 0.000 0.431 792 C N -5.134 114.306 119.300 0.234 0.000 2.495 792 C HA -0.248 4.335 4.460 0.206 0.000 0.275 792 C C 0.915 176.050 174.990 0.241 0.000 1.392 792 C CA 2.700 61.850 59.018 0.220 0.000 1.766 792 C CB 0.790 28.643 27.740 0.189 0.000 1.933 792 C HN -0.365 8.004 8.230 0.233 0.000 0.519 793 Q N -3.627 116.363 119.800 0.317 0.000 2.288 793 Q HA 0.114 4.601 4.340 0.245 0.000 0.256 793 Q C -0.176 176.031 176.000 0.345 0.000 0.835 793 Q CA -0.333 55.672 55.803 0.336 0.000 0.958 793 Q CB 1.512 30.487 28.738 0.395 0.000 1.125 793 Q HN -0.497 7.988 8.270 0.359 0.000 0.513 794 H N 3.065 122.275 119.070 0.233 0.000 2.886 794 H HA 0.016 4.660 4.556 0.147 0.000 0.329 794 H C 1.610 176.922 175.328 -0.027 0.000 1.044 794 H CA 1.128 57.191 56.048 0.025 0.000 1.456 794 H CB 2.013 31.610 29.762 -0.274 0.000 1.464 794 H HN -0.391 8.009 8.280 0.378 0.106 0.573 795 S N 8.429 124.002 115.700 -0.212 0.000 2.419 795 S HA -0.283 4.166 4.470 -0.034 0.000 0.235 795 S C 1.869 176.433 174.600 -0.059 0.000 1.019 795 S CA 2.862 61.014 58.200 -0.079 0.000 0.982 795 S CB -0.167 62.965 63.200 -0.115 0.000 0.789 795 S HN 0.490 8.456 8.310 -0.572 0.000 0.490 796 L N 1.235 122.428 121.223 -0.050 0.000 2.191 796 L HA -0.222 3.928 4.340 -0.316 0.000 0.212 796 L C -0.377 176.146 176.870 -0.579 0.000 1.103 796 L CA 2.105 56.639 54.840 -0.510 0.000 0.769 796 L CB -0.027 41.325 42.059 -1.177 0.000 0.908 796 L HN -0.476 8.006 8.230 0.470 0.030 0.438 797 F N -6.905 112.945 119.950 -0.167 0.000 2.641 797 F HA 0.087 4.360 4.527 -0.424 0.000 0.302 797 F C -0.095 175.657 175.800 -0.080 0.000 1.098 797 F CA -0.846 56.978 58.000 -0.292 0.000 1.318 797 F CB -0.745 37.999 39.000 -0.427 0.000 1.035 797 F HN -0.819 7.247 8.300 -0.335 0.033 0.551 798 K N 0.000 120.448 120.400 0.081 0.000 2.780 798 K HA 0.000 4.390 4.320 0.116 0.000 0.191 798 K CA 0.000 56.338 56.287 0.085 0.000 0.838 798 K CB 0.000 32.536 32.500 0.059 0.000 1.064 798 K HN 0.000 8.202 8.250 0.016 0.058 0.543