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 3dpu_1_A DATA FIRST_RESID 420 DATA SEQUENCE PEIVKQGKEA VRQYFQSIEE ARSKGEALVH LQEIKVHLIG DGMAGKTSLL DATA SEQUENCE KQLIGXXXXX XXXXXXGLNV VTKQAPNIKG LENDDELKEC LFHFWDFGGQ DATA SEQUENCE EIMHASHQFF MTRSSVYMLL LDSRTDSNKH YWLRHIEKYG GKSPVIVVMN DATA SEQUENCE KIDENPSYNI EQKKINERFP AIENRFHRIS CXXXXXVESI AKSLKSAVLH DATA SEQUENCE PDSIYGTPLA PSWIKVKEKL VEATTAQRYL NRTEVEKICN DSGITDPGER DATA SEQUENCE KTLLGYLNNL GIVLYFEALD LSEIYVLDPH WVTIGVYRII NSSKTKNGHL DATA SEQUENCE NTSALGYILN EEXXXXXXXX XXXXXKFTYT LLEQRYLLDI MKQFELCYDE DATA SEQUENCE GKGLFIIPSN LPTQIXXXXX ITEGEPLRFI MKYDYLPSTI IPRLMIAMQH DATA SEQUENCE QILDRMQWRY GMVLKSQDHE GALAKVVAET KDSTITIAIQ GEPRCKREYL DATA SEQUENCE SIIWYEIKKI NANFTNLDVK EFIPLPGHPD ELVEYKELLG LEKMGRDRYV DATA SEQUENCE SGKLEKVFSV SKMLDSVIS 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 420 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 420 P C 0.000 177.149 177.300 -0.252 0.000 1.155 420 P CA 0.000 62.969 63.100 -0.218 0.000 0.800 420 P CB 0.000 31.624 31.700 -0.126 0.000 0.726 421 E N 2.219 122.191 120.200 -0.381 0.000 2.563 421 E HA 0.065 4.422 4.350 0.012 0.000 0.260 421 E C 0.142 176.604 176.600 -0.229 0.000 1.391 421 E CA -0.255 56.003 56.400 -0.237 0.000 1.079 421 E CB 0.342 29.921 29.700 -0.201 0.000 0.984 421 E HN 0.478 8.838 8.360 -0.000 0.000 0.563 422 I N 2.570 123.020 120.570 -0.200 0.000 2.882 422 I HA -0.011 4.166 4.170 0.012 0.000 0.276 422 I C 0.903 176.814 176.117 -0.343 0.000 1.096 422 I CA 0.011 61.157 61.300 -0.256 0.000 1.872 422 I CB -0.507 37.353 38.000 -0.232 0.000 1.383 422 I HN 0.343 8.553 8.210 -0.000 0.000 0.758 423 V N 2.599 122.352 119.914 -0.269 0.000 3.608 423 V HA -0.083 4.045 4.120 0.012 0.000 0.269 423 V C 2.451 178.436 176.094 -0.181 0.000 1.245 423 V CA 1.286 63.455 62.300 -0.217 0.000 1.138 423 V CB -0.169 31.445 31.823 -0.347 0.000 0.841 423 V HN 0.696 8.886 8.190 -0.000 0.000 0.451 424 K N -0.200 120.095 120.400 -0.175 0.000 2.699 424 K HA -0.040 4.288 4.320 0.012 0.000 0.197 424 K C 0.724 177.302 176.600 -0.036 0.000 1.017 424 K CA 0.827 57.054 56.287 -0.101 0.000 1.006 424 K CB -0.797 31.660 32.500 -0.071 0.000 0.819 424 K HN 0.625 8.875 8.250 -0.000 0.000 0.493 425 Q N 0.059 119.841 119.800 -0.029 0.000 2.430 425 Q HA 0.520 4.868 4.340 0.012 0.000 0.245 425 Q C 0.004 176.011 176.000 0.012 0.000 1.021 425 Q CA 0.581 56.394 55.803 0.016 0.000 0.867 425 Q CB 1.153 29.928 28.738 0.062 0.000 1.210 425 Q HN 0.630 8.900 8.270 -0.000 0.000 0.487 426 G N 0.475 109.284 108.800 0.015 0.000 3.393 426 G HA2 0.082 4.049 3.960 0.012 0.000 0.676 426 G HA3 0.082 4.049 3.960 0.012 0.000 0.676 426 G C 0.335 175.244 174.900 0.014 0.000 1.224 426 G CA -0.271 44.840 45.100 0.018 0.000 1.109 426 G HN 0.519 8.809 8.290 -0.000 0.000 0.519 427 K N 1.260 121.675 120.400 0.025 0.000 2.032 427 K HA 0.018 4.345 4.320 0.012 0.000 0.209 427 K C 1.950 178.572 176.600 0.038 0.000 1.048 427 K CA 2.106 58.413 56.287 0.033 0.000 0.927 427 K CB -0.487 32.036 32.500 0.037 0.000 0.712 427 K HN 0.711 8.961 8.250 -0.000 0.000 0.441 428 E N 0.003 120.225 120.200 0.038 0.000 2.338 428 E HA -0.013 4.344 4.350 0.012 0.000 0.197 428 E C 2.131 178.756 176.600 0.041 0.000 1.007 428 E CA 0.978 57.404 56.400 0.044 0.000 0.849 428 E CB -0.156 29.570 29.700 0.042 0.000 0.774 428 E HN 0.539 8.899 8.360 -0.000 0.000 0.506 429 A N 0.344 123.180 122.820 0.026 0.000 1.872 429 A HA -0.091 4.237 4.320 0.012 0.000 0.214 429 A C 2.475 180.055 177.584 -0.008 0.000 1.187 429 A CA 1.134 53.181 52.037 0.018 0.000 0.614 429 A CB -0.622 18.378 19.000 -0.000 0.000 0.826 429 A HN 0.160 8.310 8.150 -0.000 0.000 0.442 430 V N 0.289 120.171 119.914 -0.052 0.000 2.324 430 V HA -0.321 3.806 4.120 0.012 0.000 0.250 430 V C 3.305 179.315 176.094 -0.141 0.000 1.060 430 V CA 2.754 64.960 62.300 -0.157 0.000 1.042 430 V CB -1.670 30.107 31.823 -0.077 0.000 0.650 430 V HN 0.749 8.938 8.190 -0.000 0.000 0.450 431 R N -0.424 120.100 120.500 0.040 0.000 2.083 431 R HA -0.221 4.126 4.340 0.012 0.000 0.237 431 R C 2.108 178.475 176.300 0.112 0.000 1.137 431 R CA 1.895 58.075 56.100 0.133 0.000 0.951 431 R CB -1.213 29.155 30.300 0.114 0.000 0.851 431 R HN 0.612 8.882 8.270 -0.000 0.000 0.434 432 Q N -0.950 118.909 119.800 0.098 0.000 2.124 432 Q HA -0.158 4.190 4.340 0.012 0.000 0.202 432 Q C 2.016 178.120 176.000 0.174 0.000 0.977 432 Q CA 1.906 57.794 55.803 0.142 0.000 0.850 432 Q CB -0.482 28.349 28.738 0.156 0.000 0.901 432 Q HN 0.835 9.105 8.270 -0.000 0.000 0.429 433 Y N 0.340 120.619 120.300 -0.035 0.000 2.145 433 Y HA -0.250 4.307 4.550 0.011 0.000 0.286 433 Y C 2.019 177.760 175.900 -0.265 0.000 1.145 433 Y CA 1.603 59.549 58.100 -0.256 0.000 1.148 433 Y CB -0.544 37.643 38.460 -0.456 0.000 0.981 433 Y HN -0.008 8.272 8.280 -0.000 0.000 0.507 434 F N 0.470 120.289 119.950 -0.218 0.000 2.095 434 F HA -0.307 4.226 4.527 0.010 0.000 0.298 434 F C 2.763 178.422 175.800 -0.236 0.000 1.104 434 F CA 1.489 59.316 58.000 -0.288 0.000 1.232 434 F CB -0.578 38.364 39.000 -0.097 0.000 0.987 434 F HN 0.127 8.427 8.300 -0.000 0.000 0.475 435 Q N 0.510 120.353 119.800 0.071 0.000 2.112 435 Q HA -0.241 4.106 4.340 0.012 0.000 0.206 435 Q C 2.356 178.337 176.000 -0.031 0.000 0.987 435 Q CA 2.464 58.286 55.803 0.031 0.000 0.858 435 Q CB -0.135 28.642 28.738 0.065 0.000 0.905 435 Q HN 0.445 8.715 8.270 -0.000 0.000 0.420 436 S N 0.286 115.943 115.700 -0.071 0.000 2.383 436 S HA -0.143 4.334 4.470 0.012 0.000 0.227 436 S C 1.815 176.272 174.600 -0.239 0.000 1.026 436 S CA 1.187 59.328 58.200 -0.099 0.000 0.981 436 S CB -0.682 62.481 63.200 -0.062 0.000 0.818 436 S HN 0.611 8.921 8.310 -0.000 0.000 0.472 437 I N -1.072 119.273 120.570 -0.374 0.000 3.684 437 I HA 0.433 4.611 4.170 0.012 0.000 0.304 437 I C 2.096 178.094 176.117 -0.198 0.000 1.278 437 I CA 0.678 61.770 61.300 -0.347 0.000 1.272 437 I CB -0.829 36.866 38.000 -0.508 0.000 1.029 437 I HN 0.382 8.592 8.210 -0.000 0.000 0.458 438 E N 1.793 121.910 120.200 -0.138 0.000 2.075 438 E HA -0.136 4.221 4.350 0.012 0.000 0.190 438 E C 2.035 178.596 176.600 -0.066 0.000 0.969 438 E CA 1.107 57.455 56.400 -0.087 0.000 0.815 438 E CB -0.720 28.946 29.700 -0.058 0.000 0.776 438 E HN 0.531 8.891 8.360 -0.000 0.000 0.457 439 E N -0.079 120.089 120.200 -0.054 0.000 2.153 439 E HA 0.026 4.384 4.350 0.012 0.000 0.194 439 E C 2.346 178.923 176.600 -0.038 0.000 0.988 439 E CA 1.442 57.822 56.400 -0.033 0.000 0.811 439 E CB -0.410 29.282 29.700 -0.013 0.000 0.746 439 E HN 0.720 9.080 8.360 -0.000 0.000 0.466 440 A N 0.310 123.094 122.820 -0.061 0.000 1.968 440 A HA 0.041 4.369 4.320 0.012 0.000 0.217 440 A C 2.461 180.010 177.584 -0.059 0.000 1.169 440 A CA 1.943 53.944 52.037 -0.061 0.000 0.638 440 A CB -0.872 18.073 19.000 -0.092 0.000 0.812 440 A HN 0.509 8.659 8.150 -0.000 0.000 0.446 441 R N 0.258 120.716 120.500 -0.070 0.000 2.115 441 R HA -0.044 4.303 4.340 0.012 0.000 0.226 441 R C 2.445 178.720 176.300 -0.042 0.000 1.100 441 R CA 2.104 58.169 56.100 -0.059 0.000 0.980 441 R CB -1.657 28.601 30.300 -0.070 0.000 0.875 441 R HN 0.931 9.201 8.270 -0.000 0.000 0.445 442 S N -0.559 115.118 115.700 -0.039 0.000 2.436 442 S HA 0.081 4.558 4.470 0.012 0.000 0.228 442 S C 2.135 176.723 174.600 -0.021 0.000 1.014 442 S CA 1.194 59.377 58.200 -0.028 0.000 0.950 442 S CB 0.056 63.240 63.200 -0.026 0.000 0.784 442 S HN 0.683 8.993 8.310 -0.000 0.000 0.504 443 K N 1.052 121.440 120.400 -0.020 0.000 2.458 443 K HA 0.547 4.875 4.320 0.012 0.000 0.194 443 K C 1.273 177.865 176.600 -0.012 0.000 1.024 443 K CA 0.431 56.711 56.287 -0.013 0.000 1.108 443 K CB -1.443 31.051 32.500 -0.010 0.000 0.846 443 K HN 1.335 9.585 8.250 -0.000 0.000 0.518 444 G N 0.982 109.772 108.800 -0.017 0.000 2.176 444 G HA2 -0.233 3.734 3.960 0.012 0.000 0.252 444 G HA3 -0.233 3.734 3.960 0.012 0.000 0.252 444 G C -0.308 174.585 174.900 -0.012 0.000 1.024 444 G CA 0.311 45.403 45.100 -0.014 0.000 0.755 444 G HN 0.664 8.954 8.290 -0.000 0.000 0.507 445 E N -0.110 120.079 120.200 -0.018 0.000 2.204 445 E HA 0.662 5.020 4.350 0.012 0.000 0.276 445 E C 0.518 177.105 176.600 -0.022 0.000 0.974 445 E CA -0.246 56.145 56.400 -0.016 0.000 0.815 445 E CB 1.587 31.277 29.700 -0.018 0.000 1.119 445 E HN 0.607 8.967 8.360 -0.000 0.000 0.393 446 A N 3.264 126.078 122.820 -0.009 0.000 2.363 446 A HA 0.280 4.608 4.320 0.012 0.000 0.270 446 A C -0.091 177.482 177.584 -0.017 0.000 1.121 446 A CA -0.492 51.542 52.037 -0.004 0.000 0.800 446 A CB 0.120 19.132 19.000 0.019 0.000 1.052 446 A HN 0.608 8.758 8.150 -0.000 0.000 0.493 447 L N 3.850 125.051 121.223 -0.035 0.000 2.456 447 L HA 0.210 4.558 4.340 0.012 0.000 0.277 447 L C 0.422 177.256 176.870 -0.061 0.000 1.124 447 L CA -0.506 54.282 54.840 -0.086 0.000 0.880 447 L CB -0.127 41.854 42.059 -0.129 0.000 1.192 447 L HN 0.633 8.863 8.230 -0.000 0.000 0.463 448 V N 0.384 120.265 119.914 -0.055 0.000 3.214 448 V HA 0.375 4.502 4.120 0.012 0.000 0.306 448 V C 0.262 176.302 176.094 -0.091 0.000 1.078 448 V CA -0.754 61.563 62.300 0.029 0.000 1.077 448 V CB 1.036 32.888 31.823 0.049 0.000 1.121 448 V HN 0.552 8.742 8.190 -0.000 0.000 0.468 449 H N 0.670 119.744 119.070 0.007 0.000 2.616 449 H HA 0.413 4.977 4.556 0.013 0.000 0.353 449 H C 0.397 175.665 175.328 -0.099 0.000 1.170 449 H CA -0.843 55.169 56.048 -0.061 0.000 1.212 449 H CB 2.189 31.887 29.762 -0.108 0.000 1.653 449 H HN 0.451 8.731 8.280 -0.000 0.000 0.537 450 L N 0.776 121.978 121.223 -0.034 0.000 2.156 450 L HA -0.098 4.250 4.340 0.012 0.000 0.208 450 L C 0.772 177.569 176.870 -0.121 0.000 1.095 450 L CA 1.616 56.432 54.840 -0.041 0.000 0.770 450 L CB -0.828 41.220 42.059 -0.019 0.000 0.914 450 L HN 0.782 9.012 8.230 -0.000 0.000 0.439 451 Q N 0.498 120.109 119.800 -0.315 0.000 2.457 451 Q HA -0.249 4.099 4.340 0.012 0.000 0.283 451 Q C 0.125 176.015 176.000 -0.183 0.000 1.234 451 Q CA 0.833 56.446 55.803 -0.317 0.000 0.877 451 Q CB -1.563 27.124 28.738 -0.085 0.000 1.250 451 Q HN 0.578 8.848 8.270 -0.000 0.000 0.481 452 E N 0.257 120.334 120.200 -0.206 0.000 2.272 452 E HA 0.657 5.015 4.350 0.012 0.000 0.269 452 E C -1.319 175.157 176.600 -0.206 0.000 0.877 452 E CA -0.709 55.603 56.400 -0.146 0.000 0.755 452 E CB 1.464 31.121 29.700 -0.071 0.000 1.192 452 E HN 0.180 8.540 8.360 -0.000 0.000 0.422 453 I N 3.108 123.538 120.570 -0.232 0.000 2.802 453 I HA 0.344 4.521 4.170 0.012 0.000 0.298 453 I C -1.324 174.680 176.117 -0.189 0.000 1.176 453 I CA -0.835 60.297 61.300 -0.279 0.000 1.025 453 I CB 2.176 39.911 38.000 -0.441 0.000 1.243 453 I HN 0.583 8.793 8.210 -0.000 0.000 0.424 454 K N 5.229 125.515 120.400 -0.190 0.000 2.281 454 K HA 0.486 4.813 4.320 0.012 0.000 0.272 454 K C -0.950 175.544 176.600 -0.176 0.000 1.048 454 K CA -0.459 55.721 56.287 -0.178 0.000 0.898 454 K CB 1.764 34.058 32.500 -0.342 0.000 1.128 454 K HN 0.266 8.516 8.250 -0.000 0.000 0.460 455 V N 5.045 124.843 119.914 -0.193 0.000 2.334 455 V HA 0.101 4.228 4.120 0.012 0.000 0.267 455 V C -0.037 176.055 176.094 -0.002 0.000 1.040 455 V CA -0.728 61.517 62.300 -0.091 0.000 0.866 455 V CB 0.292 32.020 31.823 -0.158 0.000 1.019 455 V HN 0.721 8.911 8.190 -0.000 0.000 0.468 456 H N 5.820 124.865 119.070 -0.041 0.000 2.652 456 H HA 0.358 4.921 4.556 0.012 0.000 0.298 456 H C -0.390 175.029 175.328 0.152 0.000 1.076 456 H CA -0.502 55.599 56.048 0.088 0.000 1.360 456 H CB 1.238 30.954 29.762 -0.076 0.000 1.421 456 H HN 0.462 8.742 8.280 -0.000 0.000 0.464 457 L N 5.326 126.710 121.223 0.269 0.000 2.313 457 L HA 0.202 4.549 4.340 0.012 0.000 0.282 457 L C 0.135 177.074 176.870 0.114 0.000 1.092 457 L CA -0.073 54.869 54.840 0.170 0.000 0.831 457 L CB 0.416 42.544 42.059 0.114 0.000 1.159 457 L HN 0.442 8.672 8.230 -0.000 0.000 0.442 458 I N 2.785 123.373 120.570 0.031 0.000 2.465 458 I HA 0.802 4.980 4.170 0.012 0.000 0.291 458 I C 0.404 176.264 176.117 -0.428 0.000 1.014 458 I CA -0.207 60.991 61.300 -0.170 0.000 1.093 458 I CB 1.636 39.635 38.000 -0.003 0.000 1.267 458 I HN 0.734 8.944 8.210 -0.000 0.000 0.431 459 G N 4.759 113.027 108.800 -0.887 0.000 2.340 459 G HA2 0.114 4.081 3.960 0.012 0.000 0.300 459 G HA3 0.114 4.081 3.960 0.012 0.000 0.300 459 G C -1.594 172.863 174.900 -0.738 0.000 1.488 459 G CA -0.868 43.696 45.100 -0.894 0.000 0.878 459 G HN 0.398 8.688 8.290 -0.000 0.000 0.618 460 D N 0.443 120.671 120.400 -0.288 0.000 2.472 460 D HA 0.381 5.029 4.640 0.012 0.000 0.237 460 D C 1.819 178.122 176.300 0.005 0.000 1.141 460 D CA 1.369 55.427 54.000 0.096 0.000 0.875 460 D CB 1.047 41.980 40.800 0.221 0.000 1.192 460 D HN 0.880 9.250 8.370 -0.000 0.000 0.450 461 G N 2.431 111.265 108.800 0.056 0.000 3.869 461 G HA2 -0.339 3.628 3.960 0.012 0.000 0.260 461 G HA3 -0.339 3.628 3.960 0.012 0.000 0.260 461 G C 0.565 175.462 174.900 -0.005 0.000 0.870 461 G CA 1.150 46.269 45.100 0.032 0.000 0.731 461 G HN 0.523 8.813 8.290 -0.000 0.000 1.403 462 M N 1.792 121.393 119.600 0.001 0.000 2.103 462 M HA 0.688 5.176 4.480 0.012 0.000 0.350 462 M C 0.780 177.073 176.300 -0.013 0.000 1.100 462 M CA 0.186 55.478 55.300 -0.013 0.000 1.042 462 M CB 1.312 33.904 32.600 -0.012 0.000 1.368 462 M HN 0.439 8.729 8.290 -0.000 0.000 0.404 463 A N 3.329 126.135 122.820 -0.023 0.000 2.460 463 A HA 0.596 4.923 4.320 0.012 0.000 0.258 463 A C 1.190 178.762 177.584 -0.020 0.000 1.300 463 A CA 0.202 52.229 52.037 -0.017 0.000 0.913 463 A CB -0.779 18.212 19.000 -0.015 0.000 1.031 463 A HN 1.389 9.539 8.150 -0.000 0.000 0.512 464 G N -0.029 108.755 108.800 -0.027 0.000 2.167 464 G HA2 -0.201 3.767 3.960 0.012 0.000 0.194 464 G HA3 -0.201 3.767 3.960 0.012 0.000 0.194 464 G C 0.704 175.579 174.900 -0.042 0.000 1.027 464 G CA 0.361 45.442 45.100 -0.031 0.000 0.717 464 G HN 0.434 8.724 8.290 -0.000 0.000 0.501 465 K N -0.835 119.537 120.400 -0.048 0.000 2.057 465 K HA -0.074 4.253 4.320 0.012 0.000 0.207 465 K C 2.571 179.126 176.600 -0.074 0.000 1.049 465 K CA 1.781 58.035 56.287 -0.056 0.000 0.931 465 K CB -0.164 32.305 32.500 -0.052 0.000 0.714 465 K HN 0.315 8.565 8.250 -0.000 0.000 0.440 466 T N -0.162 114.350 114.554 -0.069 0.000 2.857 466 T HA -0.063 4.294 4.350 0.012 0.000 0.266 466 T C 2.058 176.705 174.700 -0.088 0.000 1.048 466 T CA 1.222 63.273 62.100 -0.081 0.000 1.139 466 T CB -0.069 68.761 68.868 -0.064 0.000 0.874 466 T HN 0.099 8.339 8.240 -0.000 0.000 0.455 467 S N 0.622 116.281 115.700 -0.070 0.000 2.371 467 S HA 0.056 4.534 4.470 0.012 0.000 0.224 467 S C 1.907 176.460 174.600 -0.078 0.000 1.029 467 S CA 0.602 58.764 58.200 -0.064 0.000 0.978 467 S CB -0.455 62.718 63.200 -0.045 0.000 0.833 467 S HN 0.442 8.752 8.310 -0.000 0.000 0.466 468 L N 1.234 122.408 121.223 -0.080 0.000 2.017 468 L HA -0.058 4.290 4.340 0.012 0.000 0.208 468 L C 2.252 179.030 176.870 -0.153 0.000 1.073 468 L CA 1.841 56.624 54.840 -0.094 0.000 0.745 468 L CB -1.093 40.921 42.059 -0.075 0.000 0.894 468 L HN 0.384 8.614 8.230 -0.000 0.000 0.432 469 L N 1.289 122.397 121.223 -0.192 0.000 2.079 469 L HA -0.223 4.124 4.340 0.012 0.000 0.210 469 L C 3.026 179.748 176.870 -0.248 0.000 1.081 469 L CA 2.843 57.502 54.840 -0.300 0.000 0.752 469 L CB -0.860 41.016 42.059 -0.305 0.000 0.896 469 L HN 0.343 8.573 8.230 -0.000 0.000 0.433 470 K N -1.253 119.047 120.400 -0.167 0.000 2.009 470 K HA -0.221 4.107 4.320 0.012 0.000 0.210 470 K C 1.945 178.470 176.600 -0.126 0.000 1.049 470 K CA 1.827 58.035 56.287 -0.132 0.000 0.929 470 K CB -1.117 31.326 32.500 -0.094 0.000 0.714 470 K HN 0.572 8.822 8.250 -0.000 0.000 0.440 471 Q N -0.071 119.659 119.800 -0.116 0.000 2.077 471 Q HA -0.109 4.239 4.340 0.012 0.000 0.206 471 Q C 2.335 178.262 176.000 -0.121 0.000 0.989 471 Q CA 1.750 57.493 55.803 -0.100 0.000 0.853 471 Q CB -0.325 28.362 28.738 -0.085 0.000 0.907 471 Q HN 0.623 8.893 8.270 -0.000 0.000 0.418 472 L N 0.045 121.166 121.223 -0.169 0.000 2.072 472 L HA -0.136 4.211 4.340 0.012 0.000 0.205 472 L C 2.355 179.112 176.870 -0.189 0.000 1.079 472 L CA 0.744 55.468 54.840 -0.194 0.000 0.752 472 L CB -0.282 41.614 42.059 -0.272 0.000 0.906 472 L HN 0.262 8.492 8.230 -0.000 0.000 0.436 473 I N -2.791 117.654 120.570 -0.209 0.000 3.030 473 I HA 0.365 4.542 4.170 0.012 0.000 0.270 473 I C 1.110 177.159 176.117 -0.114 0.000 1.211 473 I CA 0.475 61.675 61.300 -0.167 0.000 1.479 473 I CB -0.484 37.401 38.000 -0.191 0.000 1.105 473 I HN 0.121 8.331 8.210 -0.000 0.000 0.447 487 L N 1.824 122.783 121.223 -0.441 0.000 2.334 487 L HA 0.892 5.239 4.340 0.012 0.000 0.272 487 L C -0.149 176.547 176.870 -0.291 0.000 1.020 487 L CA -0.730 53.780 54.840 -0.551 0.000 0.812 487 L CB 1.867 43.261 42.059 -1.109 0.000 1.264 487 L HN 0.688 8.918 8.230 -0.000 0.000 0.439 488 N N 1.421 119.973 118.700 -0.247 0.000 3.545 488 N HA 0.409 5.156 4.740 0.012 0.000 0.227 488 N C -2.016 173.197 175.510 -0.495 0.000 1.380 488 N CA -0.480 52.455 53.050 -0.191 0.000 0.892 488 N CB 2.049 40.455 38.487 -0.135 0.000 1.441 488 N HN 0.348 8.728 8.380 -0.000 0.000 0.497 489 V N 0.579 120.016 119.914 -0.796 0.000 2.769 489 V HA 0.725 4.853 4.120 0.012 0.000 0.312 489 V C -0.111 175.684 176.094 -0.498 0.000 1.061 489 V CA -0.830 60.902 62.300 -0.947 0.000 0.931 489 V CB 1.542 32.500 31.823 -1.443 0.000 1.010 489 V HN 0.462 8.652 8.190 -0.000 0.000 0.433 490 V N -0.336 119.397 119.914 -0.302 0.000 2.588 490 V HA 0.801 4.929 4.120 0.012 0.000 0.304 490 V C -0.319 175.732 176.094 -0.073 0.000 1.042 490 V CA -0.390 61.823 62.300 -0.145 0.000 0.877 490 V CB 1.563 33.337 31.823 -0.081 0.000 0.996 490 V HN 0.917 9.107 8.190 -0.000 0.000 0.425 491 T N 3.186 117.670 114.554 -0.118 0.000 2.779 491 T HA 0.787 5.145 4.350 0.012 0.000 0.280 491 T C -0.303 174.345 174.700 -0.086 0.000 0.987 491 T CA 0.274 62.245 62.100 -0.215 0.000 0.966 491 T CB 0.811 69.463 68.868 -0.360 0.000 0.933 491 T HN 1.483 9.723 8.240 -0.000 0.000 0.442 492 K N 3.748 124.144 120.400 -0.007 0.000 2.468 492 K HA 0.613 4.940 4.320 0.012 0.000 0.252 492 K C -0.223 176.434 176.600 0.095 0.000 0.932 492 K CA -1.010 55.312 56.287 0.060 0.000 0.794 492 K CB 1.128 33.701 32.500 0.121 0.000 1.241 492 K HN 0.872 9.122 8.250 -0.000 0.000 0.428 493 Q N 1.279 121.120 119.800 0.068 0.000 2.299 493 Q HA 0.582 4.929 4.340 0.012 0.000 0.246 493 Q C 1.214 177.291 176.000 0.128 0.000 0.935 493 Q CA -0.080 55.790 55.803 0.111 0.000 0.887 493 Q CB 1.546 30.322 28.738 0.063 0.000 1.223 493 Q HN 0.750 9.020 8.270 -0.000 0.000 0.439 494 A N 3.397 126.344 122.820 0.211 0.000 1.927 494 A HA -0.175 4.152 4.320 0.012 0.000 0.220 494 A C -0.469 177.138 177.584 0.038 0.000 1.185 494 A CA 1.790 53.919 52.037 0.153 0.000 0.639 494 A CB -1.726 17.441 19.000 0.277 0.000 0.820 494 A HN 0.742 8.892 8.150 -0.000 0.000 0.451 495 P HA -0.084 4.336 4.420 -0.000 0.000 0.222 495 P C 0.621 177.917 177.300 -0.007 0.000 1.147 495 P CA 1.096 64.206 63.100 0.016 0.000 0.790 495 P CB -0.102 31.612 31.700 0.023 0.000 0.780 496 N N -1.020 117.674 118.700 -0.010 0.000 2.373 496 N HA 0.047 4.795 4.740 0.012 0.000 0.181 496 N C 0.468 175.944 175.510 -0.057 0.000 1.082 496 N CA 0.197 53.231 53.050 -0.027 0.000 0.885 496 N CB -0.222 38.254 38.487 -0.017 0.000 0.977 496 N HN 0.192 8.572 8.380 -0.000 0.000 0.462 497 I N 0.838 121.358 120.570 -0.083 0.000 2.496 497 I HA -0.084 4.093 4.170 0.012 0.000 0.285 497 I C 1.677 177.728 176.117 -0.111 0.000 1.080 497 I CA 0.040 61.260 61.300 -0.133 0.000 1.404 497 I CB 1.317 39.170 38.000 -0.245 0.000 1.403 497 I HN -0.195 8.015 8.210 -0.000 0.000 0.539 498 K N 4.617 124.950 120.400 -0.111 0.000 2.052 498 K HA -0.206 4.121 4.320 0.012 0.000 0.215 498 K C 1.802 178.362 176.600 -0.066 0.000 1.053 498 K CA 1.962 58.199 56.287 -0.083 0.000 0.934 498 K CB -1.129 31.320 32.500 -0.085 0.000 0.717 498 K HN 1.004 9.254 8.250 -0.000 0.000 0.450 499 G N -0.978 107.778 108.800 -0.073 0.000 2.572 499 G HA2 0.008 3.975 3.960 0.012 0.000 0.216 499 G HA3 0.008 3.975 3.960 0.012 0.000 0.216 499 G C 0.900 175.778 174.900 -0.037 0.000 1.133 499 G CA 0.391 45.462 45.100 -0.049 0.000 0.791 499 G HN 0.389 8.679 8.290 -0.000 0.000 0.538 500 L N 0.802 121.997 121.223 -0.047 0.000 2.818 500 L HA 0.324 4.672 4.340 0.012 0.000 0.243 500 L C 1.654 178.518 176.870 -0.011 0.000 1.185 500 L CA -0.298 54.528 54.840 -0.024 0.000 0.988 500 L CB 0.113 42.155 42.059 -0.028 0.000 1.292 500 L HN 0.142 8.372 8.230 -0.000 0.000 0.519 501 E N 1.126 121.316 120.200 -0.017 0.000 2.065 501 E HA -0.244 4.113 4.350 0.012 0.000 0.201 501 E C 1.884 178.485 176.600 0.001 0.000 1.016 501 E CA 2.015 58.410 56.400 -0.010 0.000 0.818 501 E CB -0.433 29.259 29.700 -0.013 0.000 0.749 501 E HN 0.638 8.998 8.360 -0.000 0.000 0.453 502 N N 1.032 119.733 118.700 0.001 0.000 2.214 502 N HA -0.003 4.744 4.740 0.012 0.000 0.214 502 N C 0.016 175.530 175.510 0.008 0.000 1.132 502 N CA 0.217 53.270 53.050 0.005 0.000 0.856 502 N CB 0.050 38.538 38.487 0.002 0.000 1.020 502 N HN 0.023 8.403 8.380 -0.000 0.000 0.509 503 D N 0.481 120.888 120.400 0.011 0.000 2.338 503 D HA 0.094 4.742 4.640 0.012 0.000 0.255 503 D C -0.267 176.044 176.300 0.018 0.000 1.237 503 D CA -0.125 53.883 54.000 0.014 0.000 0.883 503 D CB 0.799 41.611 40.800 0.019 0.000 1.087 503 D HN 0.367 8.737 8.370 -0.000 0.000 0.485 504 D N 2.670 123.076 120.400 0.010 0.000 2.123 504 D HA -0.141 4.506 4.640 0.012 0.000 0.200 504 D C 1.567 177.870 176.300 0.005 0.000 0.976 504 D CA 0.736 54.742 54.000 0.010 0.000 0.831 504 D CB 0.187 40.989 40.800 0.004 0.000 0.974 504 D HN 0.544 8.914 8.370 -0.000 0.000 0.469 505 E N 0.119 120.311 120.200 -0.013 0.000 2.147 505 E HA -0.159 4.198 4.350 0.012 0.000 0.199 505 E C 0.891 177.462 176.600 -0.049 0.000 1.005 505 E CA 0.895 57.265 56.400 -0.050 0.000 0.810 505 E CB 0.081 29.739 29.700 -0.070 0.000 0.736 505 E HN 0.369 8.729 8.360 -0.000 0.000 0.460 506 L N -4.706 116.526 121.223 0.015 0.000 3.186 506 L HA 0.507 4.854 4.340 0.012 0.000 0.317 506 L C 1.236 178.176 176.870 0.116 0.000 1.296 506 L CA 0.167 55.056 54.840 0.083 0.000 0.870 506 L CB 0.047 42.178 42.059 0.121 0.000 1.302 506 L HN -0.105 8.125 8.230 -0.000 0.000 0.590 507 K N 1.011 121.459 120.400 0.080 0.000 2.089 507 K HA -0.177 4.150 4.320 0.012 0.000 0.210 507 K C 1.490 178.144 176.600 0.090 0.000 1.048 507 K CA 2.460 58.791 56.287 0.074 0.000 0.926 507 K CB -0.761 31.770 32.500 0.052 0.000 0.714 507 K HN 0.744 8.994 8.250 -0.000 0.000 0.448 508 E N -1.162 119.099 120.200 0.102 0.000 2.463 508 E HA 0.157 4.515 4.350 0.012 0.000 0.193 508 E C 0.126 176.789 176.600 0.105 0.000 1.041 508 E CA -0.472 55.986 56.400 0.096 0.000 0.879 508 E CB 0.019 29.774 29.700 0.092 0.000 0.997 508 E HN 0.560 8.920 8.360 -0.000 0.000 0.478 509 C N 1.004 120.387 119.300 0.139 0.000 2.536 509 C HA 0.412 4.880 4.460 0.012 0.000 0.396 509 C C -0.015 175.033 174.990 0.096 0.000 1.279 509 C CA -0.590 58.495 59.018 0.111 0.000 2.148 509 C CB -0.509 27.331 27.740 0.167 0.000 2.584 509 C HN 0.264 8.494 8.230 -0.000 0.000 0.579 510 L N 4.737 125.938 121.223 -0.038 0.000 2.334 510 L HA 0.616 4.963 4.340 0.012 0.000 0.276 510 L C -0.779 175.942 176.870 -0.248 0.000 1.014 510 L CA -0.338 54.474 54.840 -0.046 0.000 0.815 510 L CB 1.477 43.517 42.059 -0.031 0.000 1.268 510 L HN 0.616 8.846 8.230 -0.000 0.000 0.428 511 F N 0.278 120.065 119.950 -0.272 0.000 2.493 511 F HA 0.349 4.884 4.527 0.013 0.000 0.329 511 F C -0.280 175.130 175.800 -0.651 0.000 1.126 511 F CA -0.597 57.153 58.000 -0.417 0.000 0.937 511 F CB 1.389 40.115 39.000 -0.457 0.000 1.146 511 F HN 0.388 8.688 8.300 -0.000 0.000 0.442 512 H N 3.699 122.567 119.070 -0.338 0.000 2.691 512 H HA 0.298 4.862 4.556 0.013 0.000 0.281 512 H C -1.042 174.055 175.328 -0.386 0.000 1.121 512 H CA -0.662 55.207 56.048 -0.298 0.000 1.254 512 H CB 0.296 29.973 29.762 -0.143 0.000 1.390 512 H HN 0.377 8.657 8.280 -0.000 0.000 0.491 513 F N 2.304 122.195 119.950 -0.098 0.000 2.468 513 F HA 0.109 4.644 4.527 0.013 0.000 0.356 513 F C -0.008 175.661 175.800 -0.219 0.000 1.167 513 F CA -0.470 57.472 58.000 -0.097 0.000 1.135 513 F CB 0.031 38.973 39.000 -0.098 0.000 1.197 513 F HN 0.458 8.758 8.300 -0.000 0.000 0.569 514 W N 2.973 124.243 121.300 -0.049 0.000 2.417 514 W HA 0.324 4.992 4.660 0.014 0.000 0.317 514 W C -0.241 176.229 176.519 -0.082 0.000 1.121 514 W CA -0.485 56.776 57.345 -0.140 0.000 1.208 514 W CB 1.111 30.475 29.460 -0.159 0.000 1.253 514 W HN 0.248 8.428 8.180 -0.000 0.000 0.533 515 D N 3.726 124.155 120.400 0.049 0.000 2.408 515 D HA 0.259 4.906 4.640 0.012 0.000 0.261 515 D C -0.893 175.372 176.300 -0.058 0.000 1.190 515 D CA -0.563 53.468 54.000 0.052 0.000 0.910 515 D CB 0.077 40.875 40.800 -0.004 0.000 1.097 515 D HN -0.034 8.336 8.370 -0.000 0.000 0.522 516 F N 1.072 121.179 119.950 0.262 0.000 2.435 516 F HA 0.388 4.923 4.527 0.013 0.000 0.316 516 F C 2.084 178.011 175.800 0.212 0.000 1.220 516 F CA 0.117 58.279 58.000 0.271 0.000 1.241 516 F CB 0.479 39.667 39.000 0.314 0.000 1.234 516 F HN 0.348 8.648 8.300 -0.000 0.000 0.569 517 G N 0.491 109.581 108.800 0.482 0.000 2.866 517 G HA2 0.097 4.064 3.960 0.012 0.000 0.207 517 G HA3 0.097 4.064 3.960 0.012 0.000 0.207 517 G C 1.193 176.268 174.900 0.292 0.000 1.402 517 G CA 0.662 45.964 45.100 0.337 0.000 0.830 517 G HN 0.948 9.238 8.290 -0.000 0.000 0.644 518 G N -1.958 107.053 108.800 0.352 0.000 4.165 518 G HA2 0.499 4.466 3.960 0.012 0.000 0.287 518 G HA3 0.499 4.466 3.960 0.012 0.000 0.287 518 G C 0.326 175.463 174.900 0.395 0.000 1.019 518 G CA 1.061 46.394 45.100 0.389 0.000 0.806 518 G HN 0.855 9.145 8.290 -0.000 0.000 0.447 519 Q N 1.382 121.394 119.800 0.353 0.000 2.456 519 Q HA 0.494 4.841 4.340 0.012 0.000 0.234 519 Q C -0.201 175.880 176.000 0.135 0.000 1.061 519 Q CA -0.684 55.267 55.803 0.246 0.000 0.896 519 Q CB 0.043 28.909 28.738 0.214 0.000 1.233 519 Q HN 0.340 8.610 8.270 -0.000 0.000 0.506 520 E N 2.877 123.012 120.200 -0.108 0.000 1.842 520 E HA 0.092 4.449 4.350 0.012 0.000 0.278 520 E C 0.283 176.655 176.600 -0.380 0.000 1.171 520 E CA -0.315 55.814 56.400 -0.451 0.000 1.127 520 E CB -0.030 29.150 29.700 -0.867 0.000 1.100 520 E HN 0.727 9.087 8.360 -0.000 0.000 0.456 521 I N 1.079 121.444 120.570 -0.342 0.000 2.423 521 I HA -0.259 3.919 4.170 0.012 0.000 0.254 521 I C 1.897 177.702 176.117 -0.520 0.000 1.151 521 I CA 1.145 62.319 61.300 -0.210 0.000 1.421 521 I CB -0.015 38.027 38.000 0.070 0.000 1.079 521 I HN 0.309 8.519 8.210 -0.000 0.000 0.431 522 M N -1.564 117.586 119.600 -0.749 0.000 2.595 522 M HA -0.082 4.406 4.480 0.012 0.000 0.248 522 M C 2.024 178.006 176.300 -0.530 0.000 1.119 522 M CA 0.903 55.646 55.300 -0.929 0.000 1.079 522 M CB -1.395 30.412 32.600 -1.321 0.000 1.472 522 M HN 0.294 8.584 8.290 -0.000 0.000 0.501 523 H N 1.246 120.068 119.070 -0.413 0.000 2.321 523 H HA -0.010 4.555 4.556 0.014 0.000 0.300 523 H C 1.948 177.130 175.328 -0.244 0.000 1.087 523 H CA 2.497 58.405 56.048 -0.233 0.000 1.319 523 H CB 0.216 29.947 29.762 -0.052 0.000 1.379 523 H HN 0.294 8.574 8.280 -0.000 0.000 0.501 524 A N -0.405 122.250 122.820 -0.276 0.000 1.902 524 A HA -0.148 4.180 4.320 0.012 0.000 0.217 524 A C 2.512 179.949 177.584 -0.245 0.000 1.181 524 A CA 2.200 54.074 52.037 -0.272 0.000 0.623 524 A CB -0.670 18.273 19.000 -0.094 0.000 0.818 524 A HN 0.631 8.781 8.150 -0.000 0.000 0.443 525 S N -2.214 113.377 115.700 -0.182 0.000 2.497 525 S HA 0.142 4.619 4.470 0.012 0.000 0.218 525 S C 0.304 174.777 174.600 -0.211 0.000 1.023 525 S CA 0.117 58.270 58.200 -0.078 0.000 0.913 525 S CB -0.210 63.116 63.200 0.209 0.000 0.800 525 S HN 0.558 8.868 8.310 -0.000 0.000 0.505 526 H N 1.941 120.857 119.070 -0.257 0.000 2.423 526 H HA 0.411 4.976 4.556 0.015 0.000 0.237 526 H C 0.677 175.907 175.328 -0.162 0.000 1.391 526 H CA -0.594 55.359 56.048 -0.158 0.000 1.453 526 H CB 0.633 30.290 29.762 -0.175 0.000 1.484 526 H HN 0.328 8.608 8.280 -0.000 0.000 0.505 527 Q N 0.519 120.174 119.800 -0.241 0.000 2.030 527 Q HA -0.160 4.187 4.340 0.012 0.000 0.204 527 Q C 0.779 176.635 176.000 -0.240 0.000 0.986 527 Q CA 1.758 57.319 55.803 -0.404 0.000 0.843 527 Q CB -0.238 28.099 28.738 -0.668 0.000 0.904 527 Q HN 0.467 8.737 8.270 -0.000 0.000 0.420 528 F N -0.082 119.865 119.950 -0.005 0.000 2.293 528 F HA -0.067 4.465 4.527 0.009 0.000 0.300 528 F C 1.929 177.762 175.800 0.056 0.000 1.086 528 F CA 0.427 58.434 58.000 0.012 0.000 1.375 528 F CB -0.516 38.474 39.000 -0.017 0.000 1.045 528 F HN 0.025 8.325 8.300 -0.000 0.000 0.516 529 F N 0.404 120.425 119.950 0.118 0.000 2.154 529 F HA -0.289 4.244 4.527 0.011 0.000 0.301 529 F C 2.121 177.944 175.800 0.038 0.000 1.087 529 F CA 1.657 59.679 58.000 0.037 0.000 1.274 529 F CB -0.181 38.802 39.000 -0.029 0.000 1.009 529 F HN -0.129 8.171 8.300 -0.000 0.000 0.485 530 M N -0.733 119.042 119.600 0.292 0.000 2.466 530 M HA 0.022 4.509 4.480 0.012 0.000 0.265 530 M C 2.144 178.531 176.300 0.145 0.000 1.122 530 M CA 1.627 57.046 55.300 0.198 0.000 1.157 530 M CB -1.325 31.428 32.600 0.254 0.000 1.352 530 M HN 0.278 8.568 8.290 -0.000 0.000 0.464 531 T N -1.915 112.712 114.554 0.121 0.000 3.037 531 T HA 0.202 4.560 4.350 0.012 0.000 0.252 531 T C 1.054 175.820 174.700 0.110 0.000 1.073 531 T CA 0.004 62.167 62.100 0.105 0.000 1.091 531 T CB 0.455 69.346 68.868 0.039 0.000 0.935 531 T HN 0.044 8.284 8.240 -0.000 0.000 0.488 532 R N 0.629 121.202 120.500 0.122 0.000 2.832 532 R HA 0.598 4.945 4.340 0.012 0.000 0.271 532 R C 0.420 176.708 176.300 -0.020 0.000 0.996 532 R CA -0.399 55.744 56.100 0.072 0.000 0.977 532 R CB 1.039 31.409 30.300 0.117 0.000 1.168 532 R HN 0.207 8.477 8.270 -0.000 0.000 0.482 533 S N -0.150 115.515 115.700 -0.057 0.000 3.382 533 S HA -0.156 4.322 4.470 0.012 0.000 0.293 533 S C -0.530 173.997 174.600 -0.123 0.000 1.262 533 S CA 1.248 59.383 58.200 -0.109 0.000 0.969 533 S CB -0.542 62.562 63.200 -0.160 0.000 1.136 533 S HN 0.645 8.955 8.310 -0.000 0.000 0.635 534 S N -0.041 115.604 115.700 -0.090 0.000 2.566 534 S HA 0.765 5.243 4.470 0.012 0.000 0.298 534 S C -0.409 174.132 174.600 -0.098 0.000 1.083 534 S CA -0.583 57.552 58.200 -0.108 0.000 0.978 534 S CB 2.218 65.298 63.200 -0.199 0.000 1.073 534 S HN 0.295 8.605 8.310 -0.000 0.000 0.491 535 V N 2.771 122.623 119.914 -0.104 0.000 2.531 535 V HA 0.406 4.533 4.120 0.012 0.000 0.301 535 V C -1.606 174.430 176.094 -0.097 0.000 1.034 535 V CA -0.694 61.590 62.300 -0.026 0.000 0.865 535 V CB 1.176 33.030 31.823 0.052 0.000 0.995 535 V HN 0.856 9.046 8.190 -0.000 0.000 0.424 536 Y N 4.348 124.708 120.300 0.101 0.000 2.326 536 Y HA 0.573 5.130 4.550 0.012 0.000 0.337 536 Y C 0.344 176.303 175.900 0.098 0.000 1.023 536 Y CA -0.338 57.827 58.100 0.107 0.000 1.143 536 Y CB 1.673 40.156 38.460 0.039 0.000 1.183 536 Y HN 0.560 8.840 8.280 -0.000 0.000 0.485 537 M N 5.934 125.673 119.600 0.232 0.000 2.027 537 M HA 0.339 4.826 4.480 0.012 0.000 0.329 537 M C -1.644 174.728 176.300 0.120 0.000 0.971 537 M CA -0.443 54.953 55.300 0.160 0.000 0.933 537 M CB 0.362 33.053 32.600 0.152 0.000 1.392 537 M HN 0.610 8.900 8.290 -0.000 0.000 0.394 538 L N 5.100 126.382 121.223 0.098 0.000 2.360 538 L HA 0.339 4.686 4.340 0.012 0.000 0.276 538 L C -1.331 175.568 176.870 0.048 0.000 1.121 538 L CA -0.183 54.688 54.840 0.052 0.000 0.845 538 L CB 0.772 42.870 42.059 0.066 0.000 1.143 538 L HN 0.745 8.975 8.230 -0.000 0.000 0.452 539 L N 6.272 127.492 121.223 -0.005 0.000 2.294 539 L HA 0.475 4.822 4.340 0.012 0.000 0.283 539 L C -0.666 176.222 176.870 0.030 0.000 1.015 539 L CA -0.110 54.739 54.840 0.014 0.000 0.831 539 L CB 1.393 43.439 42.059 -0.022 0.000 1.217 539 L HN 0.529 8.759 8.230 -0.000 0.000 0.420 540 L N 3.457 124.744 121.223 0.106 0.000 2.319 540 L HA 0.721 5.068 4.340 0.012 0.000 0.267 540 L C -0.801 176.171 176.870 0.170 0.000 1.011 540 L CA -0.760 54.175 54.840 0.158 0.000 0.818 540 L CB 2.063 44.269 42.059 0.245 0.000 1.316 540 L HN 0.538 8.768 8.230 -0.000 0.000 0.432 541 D N -0.866 119.586 120.400 0.087 0.000 2.596 541 D HA 0.128 4.776 4.640 0.012 0.000 0.262 541 D C 0.371 176.381 176.300 -0.483 0.000 1.210 541 D CA -0.451 53.486 54.000 -0.105 0.000 0.873 541 D CB 1.705 42.453 40.800 -0.088 0.000 1.408 541 D HN 0.340 8.710 8.370 -0.000 0.000 0.441 542 S N -0.363 114.733 115.700 -1.008 0.000 2.378 542 S HA -0.322 4.155 4.470 0.012 0.000 0.229 542 S C 2.251 176.638 174.600 -0.355 0.000 1.052 542 S CA 3.242 60.868 58.200 -0.956 0.000 1.084 542 S CB -0.693 62.149 63.200 -0.597 0.000 0.950 542 S HN 0.676 8.986 8.310 -0.000 0.000 0.440 543 R N 0.049 120.420 120.500 -0.216 0.000 2.316 543 R HA 0.040 4.388 4.340 0.012 0.000 0.202 543 R C 1.916 178.191 176.300 -0.042 0.000 1.029 543 R CA 1.782 57.824 56.100 -0.096 0.000 1.018 543 R CB -1.542 28.717 30.300 -0.068 0.000 0.888 543 R HN 0.809 9.079 8.270 -0.000 0.000 0.471 544 T N -4.599 109.935 114.554 -0.034 0.000 3.091 544 T HA 0.086 4.444 4.350 0.012 0.000 0.277 544 T C 1.122 175.880 174.700 0.096 0.000 0.996 544 T CA 0.441 62.569 62.100 0.048 0.000 0.897 544 T CB 0.393 69.303 68.868 0.070 0.000 1.109 544 T HN 0.372 8.612 8.240 -0.000 0.000 0.534 545 D N 3.178 123.624 120.400 0.078 0.000 2.158 545 D HA -0.185 4.462 4.640 0.012 0.000 0.197 545 D C 2.176 178.541 176.300 0.108 0.000 0.995 545 D CA 1.859 55.957 54.000 0.163 0.000 0.846 545 D CB -0.128 40.813 40.800 0.236 0.000 0.941 545 D HN 0.546 8.916 8.370 -0.000 0.000 0.456 546 S N -1.077 114.673 115.700 0.084 0.000 2.515 546 S HA -0.030 4.448 4.470 0.012 0.000 0.231 546 S C 1.500 176.139 174.600 0.065 0.000 0.987 546 S CA 0.240 58.480 58.200 0.066 0.000 0.936 546 S CB -0.122 63.121 63.200 0.073 0.000 0.766 546 S HN 0.253 8.563 8.310 -0.000 0.000 0.528 547 N N 1.774 120.537 118.700 0.106 0.000 2.336 547 N HA 0.069 4.816 4.740 0.012 0.000 0.189 547 N C 1.509 177.155 175.510 0.227 0.000 1.113 547 N CA 0.235 53.366 53.050 0.135 0.000 0.858 547 N CB -0.009 38.608 38.487 0.217 0.000 0.970 547 N HN 0.674 9.054 8.380 -0.000 0.000 0.471 548 K N 1.232 121.713 120.400 0.135 0.000 2.044 548 K HA -0.208 4.119 4.320 0.012 0.000 0.210 548 K C 1.191 177.844 176.600 0.089 0.000 1.049 548 K CA 1.610 57.961 56.287 0.106 0.000 0.927 548 K CB -0.244 32.227 32.500 -0.048 0.000 0.713 548 K HN 0.328 8.578 8.250 -0.000 0.000 0.443 549 H N -1.462 117.740 119.070 0.219 0.000 2.353 549 H HA -0.163 4.400 4.556 0.012 0.000 0.300 549 H C 2.055 177.495 175.328 0.186 0.000 1.090 549 H CA 1.849 58.022 56.048 0.207 0.000 1.327 549 H CB -0.355 29.522 29.762 0.192 0.000 1.383 549 H HN 0.339 8.619 8.280 -0.000 0.000 0.508 550 Y N 0.292 120.665 120.300 0.121 0.000 2.097 550 Y HA -0.329 4.229 4.550 0.013 0.000 0.282 550 Y C 1.736 177.616 175.900 -0.034 0.000 1.152 550 Y CA 1.633 59.728 58.100 -0.008 0.000 1.136 550 Y CB -0.571 37.723 38.460 -0.277 0.000 0.975 550 Y HN 0.213 8.493 8.280 -0.000 0.000 0.498 551 W N 0.020 121.434 121.300 0.190 0.000 2.402 551 W HA -0.114 4.553 4.660 0.012 0.000 0.286 551 W C 2.264 178.712 176.519 -0.118 0.000 1.221 551 W CA 0.725 58.083 57.345 0.023 0.000 1.257 551 W CB -0.407 29.104 29.460 0.084 0.000 1.120 551 W HN 0.085 8.265 8.180 -0.000 0.000 0.551 552 L N 0.466 121.716 121.223 0.044 0.000 1.989 552 L HA -0.264 4.084 4.340 0.012 0.000 0.211 552 L C 2.767 179.371 176.870 -0.444 0.000 1.071 552 L CA 1.415 56.036 54.840 -0.365 0.000 0.749 552 L CB -0.754 40.972 42.059 -0.556 0.000 0.890 552 L HN -0.012 8.218 8.230 -0.000 0.000 0.431 553 R N -0.887 119.495 120.500 -0.197 0.000 2.092 553 R HA -0.209 4.138 4.340 0.012 0.000 0.231 553 R C 2.106 178.033 176.300 -0.622 0.000 1.119 553 R CA 1.706 57.674 56.100 -0.222 0.000 0.970 553 R CB -1.194 29.074 30.300 -0.053 0.000 0.864 553 R HN 0.474 8.744 8.270 -0.000 0.000 0.440 554 H N 1.293 119.834 119.070 -0.882 0.000 2.319 554 H HA -0.086 4.478 4.556 0.013 0.000 0.297 554 H C 2.094 177.221 175.328 -0.337 0.000 1.097 554 H CA 2.277 57.845 56.048 -0.800 0.000 1.285 554 H CB -0.131 29.439 29.762 -0.321 0.000 1.368 554 H HN 0.102 8.382 8.280 -0.000 0.000 0.495 555 I N 0.188 120.667 120.570 -0.151 0.000 2.226 555 I HA -0.225 3.952 4.170 0.012 0.000 0.245 555 I C 2.607 178.458 176.117 -0.444 0.000 1.100 555 I CA 1.674 62.742 61.300 -0.387 0.000 1.374 555 I CB -0.366 37.429 38.000 -0.341 0.000 1.057 555 I HN 0.476 8.686 8.210 -0.000 0.000 0.413 556 E N 1.238 121.250 120.200 -0.313 0.000 2.085 556 E HA -0.239 4.118 4.350 0.012 0.000 0.194 556 E C 1.862 178.354 176.600 -0.179 0.000 0.994 556 E CA 1.213 57.513 56.400 -0.167 0.000 0.801 556 E CB 0.223 29.931 29.700 0.013 0.000 0.743 556 E HN 0.289 8.649 8.360 -0.000 0.000 0.453 557 K N -0.726 119.499 120.400 -0.293 0.000 2.314 557 K HA -0.034 4.294 4.320 0.012 0.000 0.198 557 K C 1.546 178.010 176.600 -0.227 0.000 1.045 557 K CA 0.792 56.924 56.287 -0.258 0.000 0.988 557 K CB -0.130 32.120 32.500 -0.417 0.000 0.783 557 K HN 0.334 8.584 8.250 -0.000 0.000 0.484 558 Y N 1.032 121.172 120.300 -0.267 0.000 2.265 558 Y HA 0.147 4.705 4.550 0.012 0.000 0.290 558 Y C 1.750 177.566 175.900 -0.139 0.000 1.137 558 Y CA 0.318 58.274 58.100 -0.239 0.000 1.147 558 Y CB -0.269 37.963 38.460 -0.381 0.000 1.104 558 Y HN 0.008 8.288 8.280 -0.000 0.000 0.514 559 G N -0.478 108.248 108.800 -0.123 0.000 2.606 559 G HA2 0.374 4.341 3.960 0.012 0.000 0.252 559 G HA3 0.374 4.341 3.960 0.012 0.000 0.252 559 G C 0.584 175.450 174.900 -0.057 0.000 1.206 559 G CA 0.166 45.251 45.100 -0.024 0.000 0.861 559 G HN 0.422 8.712 8.290 -0.000 0.000 0.561 560 G N -0.402 108.410 108.800 0.020 0.000 2.601 560 G HA2 0.150 4.117 3.960 0.012 0.000 0.214 560 G HA3 0.150 4.117 3.960 0.012 0.000 0.214 560 G C 0.972 175.882 174.900 0.016 0.000 2.067 560 G CA -0.218 44.886 45.100 0.007 0.000 0.774 560 G HN 0.447 8.737 8.290 -0.000 0.000 0.729 561 K N 1.651 122.070 120.400 0.032 0.000 2.437 561 K HA 0.208 4.535 4.320 0.012 0.000 0.198 561 K C 0.400 177.000 176.600 -0.000 0.000 1.024 561 K CA -0.034 56.276 56.287 0.037 0.000 1.148 561 K CB 0.373 32.903 32.500 0.051 0.000 0.860 561 K HN 0.188 8.438 8.250 -0.000 0.000 0.515 562 S N 3.257 118.977 115.700 0.033 0.000 2.552 562 S HA 0.092 4.569 4.470 0.012 0.000 0.289 562 S C -2.344 172.306 174.600 0.082 0.000 1.304 562 S CA -0.887 57.349 58.200 0.059 0.000 1.063 562 S CB 0.123 63.486 63.200 0.272 0.000 0.848 562 S HN 0.081 8.391 8.310 -0.000 0.000 0.499 563 P HA 0.207 4.628 4.420 -0.000 0.000 0.266 563 P C -0.602 176.790 177.300 0.153 0.000 1.195 563 P CA -0.272 62.885 63.100 0.095 0.000 0.768 563 P CB 0.486 32.242 31.700 0.093 0.000 0.838 564 V N 4.014 124.001 119.914 0.122 0.000 2.823 564 V HA 0.651 4.778 4.120 0.012 0.000 0.312 564 V C -1.222 174.904 176.094 0.053 0.000 1.072 564 V CA -0.899 61.473 62.300 0.120 0.000 0.937 564 V CB 1.648 33.515 31.823 0.073 0.000 1.013 564 V HN 0.293 8.483 8.190 -0.000 0.000 0.430 565 I N 5.685 126.296 120.570 0.068 0.000 2.439 565 I HA 0.428 4.605 4.170 0.012 0.000 0.285 565 I C -0.642 175.502 176.117 0.047 0.000 1.021 565 I CA -0.824 60.504 61.300 0.046 0.000 1.091 565 I CB 2.133 40.192 38.000 0.100 0.000 1.242 565 I HN 0.420 8.630 8.210 -0.000 0.000 0.439 566 V N 7.377 127.278 119.914 -0.022 0.000 2.385 566 V HA 0.257 4.384 4.120 0.012 0.000 0.269 566 V C 0.078 176.288 176.094 0.193 0.000 1.043 566 V CA -0.508 61.838 62.300 0.076 0.000 0.906 566 V CB 1.317 33.200 31.823 0.099 0.000 0.995 566 V HN 0.382 8.572 8.190 -0.000 0.000 0.467 567 V N 7.008 127.024 119.914 0.171 0.000 2.347 567 V HA 0.427 4.555 4.120 0.012 0.000 0.280 567 V C 0.110 176.310 176.094 0.177 0.000 1.021 567 V CA -0.434 61.974 62.300 0.181 0.000 0.847 567 V CB 1.465 33.350 31.823 0.103 0.000 0.990 567 V HN 0.831 9.021 8.190 -0.000 0.000 0.444 568 M N 4.763 124.485 119.600 0.203 0.000 2.144 568 M HA 0.381 4.868 4.480 0.012 0.000 0.356 568 M C -0.038 176.382 176.300 0.200 0.000 1.217 568 M CA 0.223 55.661 55.300 0.232 0.000 1.087 568 M CB 0.819 33.536 32.600 0.195 0.000 1.609 568 M HN 0.680 8.970 8.290 -0.000 0.000 0.467 569 N N 1.054 119.864 118.700 0.184 0.000 2.531 569 N HA 0.622 5.369 4.740 0.012 0.000 0.290 569 N C -0.078 175.480 175.510 0.081 0.000 1.257 569 N CA 0.569 53.682 53.050 0.105 0.000 0.863 569 N CB 1.021 39.544 38.487 0.059 0.000 1.320 569 N HN 0.551 8.931 8.380 -0.000 0.000 0.538 570 K N -0.342 120.084 120.400 0.043 0.000 3.130 570 K HA -0.219 4.108 4.320 0.012 0.000 0.282 570 K C 0.970 177.592 176.600 0.035 0.000 1.145 570 K CA 1.390 57.688 56.287 0.019 0.000 0.831 570 K CB -2.890 29.602 32.500 -0.014 0.000 1.226 570 K HN 0.500 8.750 8.250 -0.000 0.000 0.478 571 I N 2.658 123.273 120.570 0.074 0.000 2.399 571 I HA -0.265 3.912 4.170 0.012 0.000 0.254 571 I C 2.445 178.599 176.117 0.063 0.000 1.146 571 I CA 2.076 63.434 61.300 0.097 0.000 1.412 571 I CB -0.092 37.974 38.000 0.109 0.000 1.076 571 I HN 0.768 8.978 8.210 -0.000 0.000 0.432 572 D N -0.005 120.420 120.400 0.040 0.000 2.178 572 D HA -0.246 4.401 4.640 0.012 0.000 0.201 572 D C 1.599 177.911 176.300 0.021 0.000 0.980 572 D CA 1.334 55.350 54.000 0.027 0.000 0.842 572 D CB -0.416 40.395 40.800 0.018 0.000 0.948 572 D HN 0.484 8.854 8.370 -0.000 0.000 0.472 573 E N 0.097 120.306 120.200 0.015 0.000 2.230 573 E HA 0.007 4.364 4.350 0.012 0.000 0.192 573 E C -0.055 176.551 176.600 0.011 0.000 0.987 573 E CA 0.483 56.886 56.400 0.005 0.000 0.841 573 E CB 0.060 29.753 29.700 -0.011 0.000 0.783 573 E HN 0.397 8.757 8.360 -0.000 0.000 0.481 574 N N 0.498 119.214 118.700 0.026 0.000 2.727 574 N HA 0.121 4.868 4.740 0.012 0.000 0.252 574 N C -2.446 173.120 175.510 0.093 0.000 1.283 574 N CA -0.983 52.096 53.050 0.048 0.000 0.782 574 N CB 1.641 40.145 38.487 0.029 0.000 1.199 574 N HN -0.145 8.235 8.380 -0.000 0.000 0.520 575 P HA -0.223 4.197 4.420 -0.000 0.000 0.217 575 P C 1.292 178.640 177.300 0.079 0.000 1.148 575 P CA 1.254 64.395 63.100 0.068 0.000 0.828 575 P CB 0.223 31.950 31.700 0.045 0.000 0.783 576 S N -2.775 112.977 115.700 0.086 0.000 2.561 576 S HA -0.123 4.355 4.470 0.012 0.000 0.225 576 S C 0.638 175.305 174.600 0.112 0.000 0.977 576 S CA -0.357 57.890 58.200 0.079 0.000 0.926 576 S CB -1.425 61.817 63.200 0.069 0.000 0.769 576 S HN 0.167 8.477 8.310 -0.000 0.000 0.533 577 Y N 2.446 122.755 120.300 0.015 0.000 2.587 577 Y HA 0.402 4.959 4.550 0.012 0.000 0.344 577 Y C 0.214 176.123 175.900 0.016 0.000 1.061 577 Y CA -0.005 58.106 58.100 0.018 0.000 1.370 577 Y CB -0.105 38.370 38.460 0.024 0.000 1.163 577 Y HN 0.337 8.617 8.280 -0.000 0.000 0.527 578 N N 4.697 123.074 118.700 -0.539 0.000 3.204 578 N HA 0.635 5.383 4.740 0.012 0.000 0.285 578 N C -1.702 173.504 175.510 -0.507 0.000 1.536 578 N CA -0.832 51.910 53.050 -0.514 0.000 0.832 578 N CB 1.719 40.062 38.487 -0.240 0.000 1.645 578 N HN 0.561 8.941 8.380 -0.000 0.000 0.586 579 I N -3.238 117.125 120.570 -0.346 0.000 2.969 579 I HA 0.603 4.780 4.170 0.012 0.000 0.307 579 I C -0.095 175.909 176.117 -0.189 0.000 1.149 579 I CA -0.994 60.173 61.300 -0.222 0.000 1.008 579 I CB 1.715 39.618 38.000 -0.161 0.000 1.232 579 I HN 0.497 8.707 8.210 -0.000 0.000 0.435 580 E N 3.573 123.720 120.200 -0.088 0.000 2.214 580 E HA 0.039 4.396 4.350 0.012 0.000 0.291 580 E C 0.666 177.195 176.600 -0.117 0.000 1.137 580 E CA 0.035 56.392 56.400 -0.071 0.000 1.175 580 E CB -0.663 29.044 29.700 0.012 0.000 1.071 580 E HN 0.804 9.164 8.360 -0.000 0.000 0.467 581 Q N 0.385 119.994 119.800 -0.318 0.000 1.985 581 Q HA -0.242 4.106 4.340 0.012 0.000 0.207 581 Q C 2.889 178.772 176.000 -0.195 0.000 0.996 581 Q CA 2.777 58.214 55.803 -0.610 0.000 0.851 581 Q CB -0.441 27.717 28.738 -0.967 0.000 0.921 581 Q HN 0.670 8.940 8.270 -0.000 0.000 0.418 582 K N 1.037 121.370 120.400 -0.111 0.000 2.032 582 K HA -0.307 4.020 4.320 0.012 0.000 0.218 582 K C 2.204 178.831 176.600 0.045 0.000 1.054 582 K CA 2.694 58.981 56.287 0.000 0.000 0.941 582 K CB -1.883 30.611 32.500 -0.011 0.000 0.720 582 K HN 0.420 8.670 8.250 -0.000 0.000 0.449 583 K N 0.642 121.059 120.400 0.029 0.000 2.032 583 K HA 0.050 4.377 4.320 0.012 0.000 0.209 583 K C 2.377 179.037 176.600 0.100 0.000 1.048 583 K CA 1.700 58.016 56.287 0.048 0.000 0.927 583 K CB -0.737 31.788 32.500 0.041 0.000 0.712 583 K HN 0.550 8.800 8.250 -0.000 0.000 0.441 584 I N 0.804 121.479 120.570 0.175 0.000 2.286 584 I HA -0.238 3.939 4.170 0.012 0.000 0.248 584 I C 2.564 178.930 176.117 0.416 0.000 1.115 584 I CA 1.745 63.257 61.300 0.354 0.000 1.392 584 I CB -0.147 38.110 38.000 0.428 0.000 1.065 584 I HN 0.530 8.740 8.210 -0.000 0.000 0.418 585 N N 0.664 119.593 118.700 0.380 0.000 2.270 585 N HA -0.228 4.520 4.740 0.012 0.000 0.181 585 N C 1.857 177.475 175.510 0.179 0.000 1.016 585 N CA 0.965 54.219 53.050 0.340 0.000 0.870 585 N CB 0.031 38.746 38.487 0.382 0.000 0.979 585 N HN 0.283 8.663 8.380 -0.000 0.000 0.431 586 E N -0.008 120.258 120.200 0.109 0.000 2.051 586 E HA -0.261 4.097 4.350 0.012 0.000 0.192 586 E C 1.962 178.539 176.600 -0.039 0.000 0.991 586 E CA 0.888 57.309 56.400 0.035 0.000 0.799 586 E CB -0.060 29.649 29.700 0.016 0.000 0.748 586 E HN 0.164 8.524 8.360 -0.000 0.000 0.449 587 R N -0.216 120.208 120.500 -0.127 0.000 2.115 587 R HA -0.033 4.314 4.340 0.012 0.000 0.230 587 R C 0.073 176.013 176.300 -0.600 0.000 1.111 587 R CA 1.159 57.002 56.100 -0.428 0.000 0.976 587 R CB -0.135 29.785 30.300 -0.635 0.000 0.870 587 R HN 0.133 8.403 8.270 -0.000 0.000 0.445 588 F N 0.975 120.973 119.950 0.081 0.000 2.531 588 F HA 0.383 4.917 4.527 0.012 0.000 0.333 588 F C -1.582 174.256 175.800 0.064 0.000 1.292 588 F CA -2.191 55.849 58.000 0.066 0.000 1.184 588 F CB 1.934 40.979 39.000 0.076 0.000 1.426 588 F HN -0.013 8.287 8.300 -0.000 0.000 0.559 589 P HA -0.204 4.216 4.420 -0.000 0.000 0.226 589 P C 1.289 178.670 177.300 0.135 0.000 1.146 589 P CA 1.002 64.179 63.100 0.128 0.000 0.773 589 P CB 0.193 31.946 31.700 0.088 0.000 0.772 590 A N -0.814 122.099 122.820 0.155 0.000 2.235 590 A HA 0.043 4.371 4.320 0.012 0.000 0.208 590 A C 2.062 179.704 177.584 0.097 0.000 1.172 590 A CA 0.266 52.383 52.037 0.133 0.000 0.786 590 A CB -1.193 17.880 19.000 0.122 0.000 0.804 590 A HN 0.159 8.309 8.150 -0.000 0.000 0.479 591 I N -0.712 119.901 120.570 0.072 0.000 2.716 591 I HA -0.105 4.072 4.170 0.012 0.000 0.259 591 I C 0.374 176.455 176.117 -0.059 0.000 1.172 591 I CA 0.405 61.674 61.300 -0.051 0.000 1.478 591 I CB -0.328 37.575 38.000 -0.162 0.000 1.104 591 I HN 0.371 8.581 8.210 -0.000 0.000 0.439 592 E N 2.109 122.325 120.200 0.026 0.000 2.294 592 E HA -0.280 4.078 4.350 0.012 0.000 0.228 592 E C -0.424 176.189 176.600 0.022 0.000 1.253 592 E CA 0.346 56.773 56.400 0.045 0.000 0.716 592 E CB -1.459 28.277 29.700 0.061 0.000 1.184 592 E HN 0.523 8.883 8.360 -0.000 0.000 0.374 593 N N -1.096 117.612 118.700 0.013 0.000 2.741 593 N HA -0.219 4.528 4.740 0.012 0.000 0.250 593 N C -0.473 175.003 175.510 -0.056 0.000 1.115 593 N CA 1.336 54.442 53.050 0.093 0.000 0.724 593 N CB -0.854 37.735 38.487 0.170 0.000 1.090 593 N HN 0.449 8.829 8.380 -0.000 0.000 0.558 594 R N 0.255 120.605 120.500 -0.251 0.000 4.138 594 R HA 0.227 4.575 4.340 0.012 0.000 0.206 594 R C -0.328 175.786 176.300 -0.310 0.000 1.667 594 R CA 0.140 56.139 56.100 -0.167 0.000 1.481 594 R CB -0.357 29.933 30.300 -0.018 0.000 1.388 594 R HN 0.065 8.335 8.270 -0.000 0.000 0.776 595 F N -0.092 119.796 119.950 -0.103 0.000 2.421 595 F HA 0.343 4.877 4.527 0.013 0.000 0.337 595 F C 0.519 176.127 175.800 -0.320 0.000 1.105 595 F CA -0.825 57.125 58.000 -0.085 0.000 1.049 595 F CB 1.337 40.306 39.000 -0.051 0.000 1.139 595 F HN 0.230 8.530 8.300 -0.000 0.000 0.479 596 H N 0.908 120.106 119.070 0.213 0.000 2.759 596 H HA 0.484 5.047 4.556 0.012 0.000 0.354 596 H C -0.908 174.487 175.328 0.113 0.000 1.074 596 H CA -0.914 55.212 56.048 0.130 0.000 1.226 596 H CB 1.560 31.375 29.762 0.089 0.000 1.648 596 H HN 0.437 8.717 8.280 -0.000 0.000 0.529 597 R N 2.883 123.493 120.500 0.183 0.000 2.265 597 R HA 0.470 4.818 4.340 0.012 0.000 0.328 597 R C -0.985 175.392 176.300 0.127 0.000 0.969 597 R CA -0.738 55.443 56.100 0.135 0.000 0.832 597 R CB 0.961 31.310 30.300 0.081 0.000 1.139 597 R HN 0.360 8.630 8.270 -0.000 0.000 0.457 598 I N 1.631 122.272 120.570 0.118 0.000 2.545 598 I HA 0.244 4.422 4.170 0.012 0.000 0.292 598 I C 0.428 176.583 176.117 0.063 0.000 1.040 598 I CA 0.214 61.564 61.300 0.083 0.000 1.068 598 I CB 2.127 40.168 38.000 0.068 0.000 1.251 598 I HN 0.763 8.973 8.210 -0.000 0.000 0.424 599 S N 3.351 119.077 115.700 0.044 0.000 3.881 599 S HA 0.622 5.100 4.470 0.012 0.000 0.189 599 S C -0.143 174.465 174.600 0.015 0.000 1.135 599 S CA -0.257 57.962 58.200 0.031 0.000 1.435 599 S CB 0.961 64.181 63.200 0.033 0.000 1.506 599 S HN 0.550 8.860 8.310 -0.000 0.000 0.814 607 E N 0.186 120.368 120.200 -0.030 0.000 2.338 607 E HA -0.107 4.250 4.350 0.012 0.000 0.197 607 E C 1.803 178.396 176.600 -0.013 0.000 1.007 607 E CA 1.945 58.328 56.400 -0.027 0.000 0.849 607 E CB -0.654 29.040 29.700 -0.011 0.000 0.774 607 E HN 0.808 9.168 8.360 -0.000 0.000 0.506 608 S N -0.100 115.608 115.700 0.013 0.000 2.414 608 S HA 0.060 4.538 4.470 0.012 0.000 0.227 608 S C 2.077 176.666 174.600 -0.018 0.000 1.022 608 S CA 0.778 59.031 58.200 0.089 0.000 0.958 608 S CB -0.187 63.156 63.200 0.238 0.000 0.797 608 S HN 0.580 8.890 8.310 -0.000 0.000 0.493 609 I N 2.105 122.478 120.570 -0.328 0.000 2.335 609 I HA -0.237 3.941 4.170 0.012 0.000 0.251 609 I C 2.577 178.582 176.117 -0.187 0.000 1.129 609 I CA 1.058 62.036 61.300 -0.537 0.000 1.402 609 I CB -0.382 37.367 38.000 -0.419 0.000 1.069 609 I HN 0.265 8.475 8.210 -0.000 0.000 0.424 610 A N 0.952 123.707 122.820 -0.108 0.000 1.969 610 A HA -0.216 4.112 4.320 0.012 0.000 0.218 610 A C 2.612 180.198 177.584 0.004 0.000 1.169 610 A CA 2.145 54.145 52.037 -0.061 0.000 0.635 610 A CB -0.727 18.231 19.000 -0.069 0.000 0.810 610 A HN 0.394 8.544 8.150 -0.000 0.000 0.445 611 K N -0.486 119.934 120.400 0.034 0.000 2.057 611 K HA -0.053 4.275 4.320 0.012 0.000 0.206 611 K C 2.259 178.918 176.600 0.098 0.000 1.050 611 K CA 1.919 58.249 56.287 0.071 0.000 0.935 611 K CB -1.232 31.321 32.500 0.089 0.000 0.715 611 K HN 0.449 8.699 8.250 -0.000 0.000 0.439 612 S N 0.628 116.403 115.700 0.125 0.000 2.368 612 S HA -0.008 4.469 4.470 0.012 0.000 0.225 612 S C 2.000 176.676 174.600 0.127 0.000 1.030 612 S CA 1.143 59.433 58.200 0.151 0.000 0.999 612 S CB -0.281 63.065 63.200 0.243 0.000 0.844 612 S HN 0.438 8.748 8.310 -0.000 0.000 0.459 613 L N 1.309 122.598 121.223 0.109 0.000 2.012 613 L HA -0.184 4.163 4.340 0.012 0.000 0.210 613 L C 2.646 179.654 176.870 0.230 0.000 1.073 613 L CA 1.506 56.454 54.840 0.181 0.000 0.748 613 L CB -0.469 41.673 42.059 0.138 0.000 0.891 613 L HN 0.326 8.556 8.230 -0.000 0.000 0.431 614 K N -0.306 120.198 120.400 0.173 0.000 2.032 614 K HA -0.246 4.082 4.320 0.012 0.000 0.209 614 K C 2.351 179.021 176.600 0.117 0.000 1.048 614 K CA 1.897 58.276 56.287 0.155 0.000 0.927 614 K CB -0.134 32.422 32.500 0.094 0.000 0.712 614 K HN 0.217 8.467 8.250 -0.000 0.000 0.441 615 S N 0.100 115.863 115.700 0.106 0.000 2.370 615 S HA -0.172 4.305 4.470 0.012 0.000 0.226 615 S C 2.042 176.717 174.600 0.126 0.000 1.033 615 S CA 1.431 59.689 58.200 0.095 0.000 1.011 615 S CB -0.320 62.936 63.200 0.093 0.000 0.852 615 S HN 0.444 8.754 8.310 -0.000 0.000 0.457 616 A N 0.833 123.740 122.820 0.146 0.000 1.898 616 A HA 0.073 4.401 4.320 0.012 0.000 0.216 616 A C 2.408 180.088 177.584 0.159 0.000 1.181 616 A CA 1.652 53.784 52.037 0.158 0.000 0.620 616 A CB -1.044 18.040 19.000 0.139 0.000 0.819 616 A HN 0.508 8.658 8.150 -0.000 0.000 0.442 617 V N 0.027 120.030 119.914 0.148 0.000 2.407 617 V HA -0.195 3.932 4.120 0.012 0.000 0.248 617 V C 2.137 178.356 176.094 0.208 0.000 1.055 617 V CA 1.704 64.090 62.300 0.144 0.000 1.049 617 V CB -0.703 31.198 31.823 0.131 0.000 0.662 617 V HN 0.545 8.735 8.190 -0.000 0.000 0.455 618 L N -0.635 120.672 121.223 0.140 0.000 2.612 618 L HA 0.120 4.467 4.340 0.012 0.000 0.230 618 L C 1.171 178.116 176.870 0.125 0.000 1.140 618 L CA -0.120 54.766 54.840 0.076 0.000 0.896 618 L CB -0.644 41.391 42.059 -0.041 0.000 1.065 618 L HN 0.397 8.627 8.230 -0.000 0.000 0.447 619 H N 2.452 121.567 119.070 0.076 0.000 3.094 619 H HA -0.033 4.530 4.556 0.012 0.000 0.320 619 H C -1.638 173.736 175.328 0.076 0.000 1.000 619 H CA -0.976 55.114 56.048 0.070 0.000 1.413 619 H CB 1.312 31.118 29.762 0.074 0.000 1.405 619 H HN -0.060 8.220 8.280 -0.000 0.000 0.586 620 P HA -0.115 4.305 4.420 -0.000 0.000 0.217 620 P C 0.860 178.265 177.300 0.176 0.000 1.148 620 P CA 2.284 65.384 63.100 -0.000 0.000 0.828 620 P CB 0.011 31.644 31.700 -0.112 0.000 0.783 621 D N -1.585 119.072 120.400 0.428 0.000 2.379 621 D HA 0.146 4.794 4.640 0.012 0.000 0.208 621 D C 1.205 177.641 176.300 0.228 0.000 1.065 621 D CA 0.076 54.272 54.000 0.328 0.000 0.848 621 D CB -0.071 40.923 40.800 0.322 0.000 0.949 621 D HN 0.140 8.510 8.370 -0.000 0.000 0.509 622 S N -0.827 115.032 115.700 0.264 0.000 2.632 622 S HA 0.377 4.854 4.470 0.012 0.000 0.267 622 S C 1.984 176.655 174.600 0.118 0.000 1.193 622 S CA 0.252 58.516 58.200 0.107 0.000 1.003 622 S CB 0.384 63.629 63.200 0.074 0.000 1.073 622 S HN 0.465 8.775 8.310 -0.000 0.000 0.553 623 I N -0.311 120.288 120.570 0.047 0.000 2.182 623 I HA -0.250 3.928 4.170 0.012 0.000 0.248 623 I C 1.583 177.718 176.117 0.029 0.000 1.073 623 I CA 2.008 63.297 61.300 -0.019 0.000 1.335 623 I CB -0.845 37.058 38.000 -0.161 0.000 1.031 623 I HN 0.601 8.811 8.210 -0.000 0.000 0.420 624 Y N 1.970 122.343 120.300 0.121 0.000 2.680 624 Y HA 0.068 4.626 4.550 0.013 0.000 0.303 624 Y C 2.488 178.550 175.900 0.270 0.000 1.166 624 Y CA 0.873 59.082 58.100 0.181 0.000 1.344 624 Y CB -0.510 37.934 38.460 -0.028 0.000 1.002 624 Y HN 0.273 8.553 8.280 -0.000 0.000 0.537 625 G N -1.271 107.703 108.800 0.290 0.000 2.712 625 G HA2 -0.054 3.913 3.960 0.012 0.000 0.212 625 G HA3 -0.054 3.913 3.960 0.012 0.000 0.212 625 G C 0.346 175.339 174.900 0.155 0.000 1.142 625 G CA 0.263 45.492 45.100 0.215 0.000 0.789 625 G HN 0.188 8.478 8.290 -0.000 0.000 0.535 626 T N 3.382 118.003 114.554 0.112 0.000 2.821 626 T HA 0.430 4.788 4.350 0.012 0.000 0.307 626 T C -2.731 171.872 174.700 -0.162 0.000 1.034 626 T CA -1.235 60.862 62.100 -0.005 0.000 0.953 626 T CB 2.302 71.156 68.868 -0.025 0.000 0.968 626 T HN -0.038 8.202 8.240 -0.000 0.000 0.462 627 P HA 0.245 4.665 4.420 -0.000 0.000 0.271 627 P C -0.911 176.250 177.300 -0.231 0.000 1.220 627 P CA -0.490 62.410 63.100 -0.332 0.000 0.768 627 P CB 0.729 32.316 31.700 -0.188 0.000 0.848 628 L N 2.117 123.166 121.223 -0.290 0.000 2.323 628 L HA 0.618 4.965 4.340 0.012 0.000 0.265 628 L C 0.568 177.238 176.870 -0.334 0.000 1.012 628 L CA -1.356 53.291 54.840 -0.323 0.000 0.820 628 L CB 1.346 43.308 42.059 -0.162 0.000 1.334 628 L HN 0.371 8.601 8.230 -0.000 0.000 0.427 629 A N 2.454 124.977 122.820 -0.494 0.000 2.401 629 A HA 0.522 4.849 4.320 0.012 0.000 0.259 629 A C -1.588 175.943 177.584 -0.089 0.000 1.103 629 A CA -0.943 50.913 52.037 -0.302 0.000 0.789 629 A CB -0.003 18.779 19.000 -0.362 0.000 1.035 629 A HN 0.654 8.804 8.150 -0.000 0.000 0.491 630 P HA -0.189 4.231 4.420 -0.000 0.000 0.217 630 P C 1.779 179.140 177.300 0.103 0.000 1.151 630 P CA 1.960 65.083 63.100 0.039 0.000 0.849 630 P CB 0.167 31.882 31.700 0.025 0.000 0.787 631 S N -1.825 113.959 115.700 0.140 0.000 2.369 631 S HA -0.216 4.261 4.470 0.012 0.000 0.225 631 S C 1.547 176.318 174.600 0.285 0.000 1.043 631 S CA 1.571 59.897 58.200 0.210 0.000 1.074 631 S CB -1.134 62.236 63.200 0.284 0.000 0.962 631 S HN 0.202 8.512 8.310 -0.000 0.000 0.433 632 W N 1.636 122.937 121.300 0.003 0.000 2.321 632 W HA -0.074 4.592 4.660 0.009 0.000 0.306 632 W C 2.047 178.585 176.519 0.031 0.000 1.217 632 W CA 0.187 57.545 57.345 0.021 0.000 1.257 632 W CB -1.017 28.459 29.460 0.027 0.000 1.145 632 W HN 0.269 8.449 8.180 -0.000 0.000 0.509 633 I N 0.701 121.423 120.570 0.253 0.000 2.252 633 I HA -0.221 3.956 4.170 0.012 0.000 0.245 633 I C 2.551 178.730 176.117 0.104 0.000 1.102 633 I CA 2.114 63.502 61.300 0.148 0.000 1.385 633 I CB -2.079 35.985 38.000 0.107 0.000 1.064 633 I HN 0.120 8.330 8.210 -0.000 0.000 0.414 634 K N 1.189 121.648 120.400 0.099 0.000 2.009 634 K HA -0.166 4.161 4.320 0.012 0.000 0.210 634 K C 2.310 178.942 176.600 0.054 0.000 1.049 634 K CA 2.169 58.496 56.287 0.068 0.000 0.929 634 K CB -1.738 30.799 32.500 0.063 0.000 0.714 634 K HN 0.385 8.635 8.250 -0.000 0.000 0.440 635 V N 0.135 120.079 119.914 0.051 0.000 2.548 635 V HA -0.111 4.017 4.120 0.012 0.000 0.249 635 V C 2.336 178.440 176.094 0.016 0.000 1.055 635 V CA 2.393 64.704 62.300 0.019 0.000 1.065 635 V CB -0.336 31.477 31.823 -0.017 0.000 0.681 635 V HN 0.604 8.794 8.190 -0.000 0.000 0.462 636 K N 0.329 120.749 120.400 0.034 0.000 2.032 636 K HA -0.279 4.048 4.320 0.012 0.000 0.209 636 K C 2.166 178.788 176.600 0.037 0.000 1.048 636 K CA 2.494 58.801 56.287 0.033 0.000 0.927 636 K CB -0.295 32.240 32.500 0.058 0.000 0.712 636 K HN 0.707 8.957 8.250 -0.000 0.000 0.441 637 E N 0.106 120.332 120.200 0.043 0.000 2.077 637 E HA -0.144 4.213 4.350 0.012 0.000 0.193 637 E C 2.104 178.723 176.600 0.033 0.000 0.989 637 E CA 1.143 57.568 56.400 0.041 0.000 0.800 637 E CB 0.166 29.891 29.700 0.042 0.000 0.746 637 E HN 0.228 8.588 8.360 -0.000 0.000 0.452 638 K N 0.535 120.951 120.400 0.027 0.000 2.057 638 K HA -0.101 4.227 4.320 0.012 0.000 0.206 638 K C 2.264 178.875 176.600 0.019 0.000 1.050 638 K CA 0.741 57.039 56.287 0.019 0.000 0.935 638 K CB -0.346 32.163 32.500 0.016 0.000 0.715 638 K HN 0.218 8.468 8.250 -0.000 0.000 0.439 639 L N 0.864 122.101 121.223 0.022 0.000 2.046 639 L HA -0.174 4.173 4.340 0.012 0.000 0.208 639 L C 2.503 179.396 176.870 0.038 0.000 1.077 639 L CA 0.867 55.724 54.840 0.027 0.000 0.747 639 L CB -0.466 41.605 42.059 0.020 0.000 0.896 639 L HN -0.083 8.147 8.230 -0.000 0.000 0.432 640 V N 0.159 120.098 119.914 0.042 0.000 2.307 640 V HA -0.274 3.854 4.120 0.012 0.000 0.245 640 V C 3.011 179.132 176.094 0.045 0.000 1.045 640 V CA 2.230 64.564 62.300 0.057 0.000 1.024 640 V CB -0.892 30.972 31.823 0.069 0.000 0.651 640 V HN 0.610 8.800 8.190 -0.000 0.000 0.449 641 E N 0.100 120.318 120.200 0.030 0.000 2.070 641 E HA -0.296 4.061 4.350 0.012 0.000 0.197 641 E C 2.180 178.778 176.600 -0.004 0.000 1.004 641 E CA 2.197 58.605 56.400 0.014 0.000 0.805 641 E CB -1.006 28.699 29.700 0.008 0.000 0.744 641 E HN 0.721 9.081 8.360 -0.000 0.000 0.451 642 A N 1.000 123.818 122.820 -0.004 0.000 1.828 642 A HA -0.114 4.213 4.320 0.012 0.000 0.215 642 A C 2.848 180.408 177.584 -0.040 0.000 1.203 642 A CA 3.582 55.604 52.037 -0.025 0.000 0.614 642 A CB -1.320 17.673 19.000 -0.012 0.000 0.844 642 A HN 0.753 8.903 8.150 -0.000 0.000 0.445 643 T N -0.778 113.773 114.554 -0.004 0.000 2.649 643 T HA -0.301 4.057 4.350 0.012 0.000 0.268 643 T C 1.914 176.603 174.700 -0.019 0.000 1.036 643 T CA 3.006 65.108 62.100 0.004 0.000 1.157 643 T CB -1.863 67.055 68.868 0.084 0.000 0.861 643 T HN 0.780 9.020 8.240 -0.000 0.000 0.445 644 T N 0.773 115.337 114.554 0.017 0.000 2.788 644 T HA 0.111 4.468 4.350 0.012 0.000 0.268 644 T C 2.248 176.908 174.700 -0.068 0.000 1.044 644 T CA 1.241 63.352 62.100 0.018 0.000 1.139 644 T CB -0.790 68.109 68.868 0.052 0.000 0.867 644 T HN 0.597 8.837 8.240 -0.000 0.000 0.454 645 A N 2.304 125.072 122.820 -0.087 0.000 1.855 645 A HA 0.109 4.437 4.320 0.012 0.000 0.213 645 A C 1.659 179.125 177.584 -0.197 0.000 1.195 645 A CA 0.669 52.632 52.037 -0.123 0.000 0.610 645 A CB -0.341 18.603 19.000 -0.093 0.000 0.837 645 A HN 0.792 8.942 8.150 -0.000 0.000 0.444 646 Q N -0.605 119.062 119.800 -0.222 0.000 2.506 646 Q HA 0.520 4.867 4.340 0.012 0.000 0.242 646 Q C -0.052 175.661 176.000 -0.478 0.000 1.060 646 Q CA -0.774 54.830 55.803 -0.333 0.000 0.826 646 Q CB 1.105 29.678 28.738 -0.275 0.000 1.169 646 Q HN 0.450 8.720 8.270 -0.000 0.000 0.521 647 R N 1.097 121.212 120.500 -0.641 0.000 2.431 647 R HA -0.311 4.037 4.340 0.012 0.000 0.236 647 R C 0.231 176.183 176.300 -0.579 0.000 0.999 647 R CA 2.954 58.536 56.100 -0.863 0.000 0.876 647 R CB -1.351 27.973 30.300 -1.627 0.000 0.940 647 R HN 0.785 9.055 8.270 -0.000 0.000 0.433 648 Y N -4.023 116.025 120.300 -0.420 0.000 2.689 648 Y HA 0.710 5.268 4.550 0.013 0.000 0.333 648 Y C -0.974 174.860 175.900 -0.110 0.000 1.190 648 Y CA -1.872 56.110 58.100 -0.196 0.000 1.063 648 Y CB 1.015 39.363 38.460 -0.186 0.000 1.294 648 Y HN -0.264 8.016 8.280 -0.000 0.000 0.466 649 L N 2.504 123.880 121.223 0.255 0.000 2.354 649 L HA 0.465 4.813 4.340 0.012 0.000 0.269 649 L C -0.721 176.302 176.870 0.256 0.000 1.005 649 L CA -1.069 53.882 54.840 0.184 0.000 0.819 649 L CB 1.618 43.761 42.059 0.140 0.000 1.311 649 L HN 0.946 9.176 8.230 -0.000 0.000 0.423 650 N N 0.359 119.162 118.700 0.171 0.000 2.476 650 N HA 0.292 5.040 4.740 0.012 0.000 0.275 650 N C 0.796 176.342 175.510 0.060 0.000 1.190 650 N CA -0.651 52.475 53.050 0.128 0.000 0.977 650 N CB 0.730 39.255 38.487 0.064 0.000 1.200 650 N HN 0.506 8.886 8.380 -0.000 0.000 0.515 651 R N -0.260 120.164 120.500 -0.126 0.000 2.119 651 R HA -0.206 4.142 4.340 0.012 0.000 0.246 651 R C 1.085 177.262 176.300 -0.205 0.000 1.146 651 R CA 2.656 58.474 56.100 -0.471 0.000 0.962 651 R CB -0.968 28.922 30.300 -0.684 0.000 0.863 651 R HN 0.852 9.122 8.270 -0.000 0.000 0.442 652 T N -0.417 114.069 114.554 -0.112 0.000 2.746 652 T HA -0.113 4.244 4.350 0.012 0.000 0.267 652 T C 1.520 176.203 174.700 -0.030 0.000 1.039 652 T CA 1.552 63.614 62.100 -0.064 0.000 1.142 652 T CB -0.285 68.557 68.868 -0.043 0.000 0.866 652 T HN 0.429 8.669 8.240 -0.000 0.000 0.444 653 E N 0.650 120.846 120.200 -0.007 0.000 2.031 653 E HA -0.104 4.253 4.350 0.012 0.000 0.193 653 E C 2.526 179.140 176.600 0.024 0.000 0.994 653 E CA 1.290 57.697 56.400 0.011 0.000 0.800 653 E CB -0.405 29.309 29.700 0.022 0.000 0.752 653 E HN 0.358 8.718 8.360 -0.000 0.000 0.447 654 V N 0.802 120.750 119.914 0.057 0.000 2.407 654 V HA -0.267 3.861 4.120 0.012 0.000 0.248 654 V C 1.746 177.860 176.094 0.034 0.000 1.055 654 V CA 2.045 64.388 62.300 0.072 0.000 1.049 654 V CB -0.253 31.670 31.823 0.166 0.000 0.662 654 V HN 0.217 8.407 8.190 -0.000 0.000 0.455 655 E N 0.230 120.437 120.200 0.011 0.000 2.150 655 E HA -0.159 4.198 4.350 0.012 0.000 0.193 655 E C 2.482 179.078 176.600 -0.007 0.000 0.985 655 E CA 1.613 58.009 56.400 -0.007 0.000 0.814 655 E CB -0.258 29.424 29.700 -0.031 0.000 0.752 655 E HN 0.805 9.165 8.360 -0.000 0.000 0.466 656 K N 1.083 121.479 120.400 -0.006 0.000 2.002 656 K HA -0.136 4.192 4.320 0.012 0.000 0.209 656 K C 1.830 178.429 176.600 -0.001 0.000 1.048 656 K CA 1.474 57.758 56.287 -0.005 0.000 0.930 656 K CB -1.042 31.454 32.500 -0.005 0.000 0.714 656 K HN 0.063 8.313 8.250 -0.000 0.000 0.438 657 I N 0.805 121.377 120.570 0.002 0.000 2.194 657 I HA -0.348 3.830 4.170 0.012 0.000 0.246 657 I C 2.640 178.757 176.117 -0.000 0.000 1.093 657 I CA 1.428 62.730 61.300 0.004 0.000 1.355 657 I CB -0.221 37.783 38.000 0.008 0.000 1.046 657 I HN 0.452 8.662 8.210 -0.000 0.000 0.413 658 C N 0.335 119.631 119.300 -0.006 0.000 2.440 658 C HA -0.107 4.360 4.460 0.012 0.000 0.278 658 C C 2.467 177.454 174.990 -0.004 0.000 1.295 658 C CA 0.998 60.006 59.018 -0.016 0.000 1.738 658 C CB -1.666 26.056 27.740 -0.030 0.000 1.987 658 C HN 0.551 8.781 8.230 -0.000 0.000 0.492 659 N N 1.050 119.749 118.700 -0.002 0.000 2.188 659 N HA -0.130 4.617 4.740 0.012 0.000 0.184 659 N C 1.006 176.520 175.510 0.007 0.000 1.018 659 N CA 1.083 54.135 53.050 0.003 0.000 0.858 659 N CB -0.197 38.290 38.487 0.000 0.000 0.989 659 N HN 0.491 8.871 8.380 -0.000 0.000 0.426 660 D N 0.306 120.710 120.400 0.006 0.000 2.265 660 D HA -0.055 4.593 4.640 0.012 0.000 0.208 660 D C 0.908 177.216 176.300 0.014 0.000 0.977 660 D CA 0.998 55.003 54.000 0.008 0.000 0.871 660 D CB -0.071 40.733 40.800 0.007 0.000 0.925 660 D HN 0.188 8.558 8.370 -0.000 0.000 0.485 661 S N -0.990 114.720 115.700 0.018 0.000 2.568 661 S HA 0.357 4.835 4.470 0.012 0.000 0.232 661 S C 1.201 175.822 174.600 0.034 0.000 0.975 661 S CA 0.116 58.333 58.200 0.028 0.000 0.949 661 S CB 1.087 64.308 63.200 0.036 0.000 0.829 661 S HN 0.321 8.632 8.310 -0.000 0.000 0.479 662 G N 2.299 111.114 108.800 0.025 0.000 2.333 662 G HA2 -0.243 3.725 3.960 0.012 0.000 0.296 662 G HA3 -0.243 3.725 3.960 0.012 0.000 0.296 662 G C -0.240 174.682 174.900 0.036 0.000 1.059 662 G CA -0.161 44.955 45.100 0.027 0.000 1.050 662 G HN 0.568 8.858 8.290 -0.000 0.000 0.508 663 I N 0.776 121.361 120.570 0.026 0.000 2.466 663 I HA 0.306 4.483 4.170 0.012 0.000 0.279 663 I C 0.984 177.105 176.117 0.005 0.000 1.033 663 I CA -0.499 60.815 61.300 0.022 0.000 1.123 663 I CB 1.508 39.507 38.000 -0.002 0.000 1.237 663 I HN 0.128 8.338 8.210 -0.000 0.000 0.460 664 T N 0.619 115.181 114.554 0.013 0.000 2.978 664 T HA 0.046 4.404 4.350 0.012 0.000 0.248 664 T C 0.614 175.320 174.700 0.009 0.000 1.018 664 T CA -0.101 62.003 62.100 0.008 0.000 1.026 664 T CB 0.172 69.047 68.868 0.010 0.000 1.032 664 T HN 0.444 8.684 8.240 -0.000 0.000 0.485 665 D N 3.020 123.430 120.400 0.016 0.000 2.434 665 D HA 0.052 4.700 4.640 0.012 0.000 0.252 665 D C -1.735 174.571 176.300 0.010 0.000 1.185 665 D CA -1.516 52.495 54.000 0.019 0.000 0.886 665 D CB 1.710 42.529 40.800 0.032 0.000 1.148 665 D HN 0.049 8.419 8.370 -0.000 0.000 0.483 666 P HA -0.010 4.410 4.420 -0.000 0.000 0.221 666 P C 1.290 178.599 177.300 0.014 0.000 1.150 666 P CA 0.633 63.742 63.100 0.014 0.000 0.800 666 P CB 0.201 31.916 31.700 0.024 0.000 0.787 667 G N 0.764 109.577 108.800 0.021 0.000 2.448 667 G HA2 -0.245 3.723 3.960 0.012 0.000 0.219 667 G HA3 -0.245 3.723 3.960 0.012 0.000 0.219 667 G C 1.381 176.289 174.900 0.014 0.000 1.127 667 G CA 0.839 45.955 45.100 0.026 0.000 0.766 667 G HN 0.470 8.760 8.290 -0.000 0.000 0.552 668 E N -0.367 119.835 120.200 0.004 0.000 2.307 668 E HA 0.150 4.508 4.350 0.012 0.000 0.195 668 E C 2.269 178.767 176.600 -0.170 0.000 0.975 668 E CA -0.203 56.185 56.400 -0.020 0.000 0.878 668 E CB -0.249 29.499 29.700 0.080 0.000 0.845 668 E HN 0.325 8.685 8.360 -0.000 0.000 0.488 669 R N 1.404 121.823 120.500 -0.134 0.000 2.083 669 R HA -0.187 4.161 4.340 0.012 0.000 0.237 669 R C 2.689 178.856 176.300 -0.221 0.000 1.137 669 R CA 2.662 58.653 56.100 -0.182 0.000 0.951 669 R CB -0.375 29.875 30.300 -0.083 0.000 0.851 669 R HN 0.214 8.484 8.270 -0.000 0.000 0.434 670 K N -0.011 120.313 120.400 -0.126 0.000 2.032 670 K HA -0.163 4.164 4.320 0.012 0.000 0.209 670 K C 2.053 178.538 176.600 -0.192 0.000 1.048 670 K CA 2.196 58.413 56.287 -0.117 0.000 0.927 670 K CB -1.847 30.670 32.500 0.028 0.000 0.712 670 K HN 0.676 8.926 8.250 -0.000 0.000 0.441 671 T N -0.734 113.725 114.554 -0.158 0.000 2.867 671 T HA -0.081 4.276 4.350 0.012 0.000 0.268 671 T C 2.030 176.544 174.700 -0.310 0.000 1.057 671 T CA 1.371 63.384 62.100 -0.147 0.000 1.136 671 T CB -0.242 68.603 68.868 -0.039 0.000 0.874 671 T HN 0.290 8.530 8.240 -0.000 0.000 0.466 672 L N 1.082 121.950 121.223 -0.591 0.000 1.994 672 L HA 0.177 4.525 4.340 0.012 0.000 0.208 672 L C 2.399 179.015 176.870 -0.424 0.000 1.071 672 L CA 1.575 55.925 54.840 -0.817 0.000 0.745 672 L CB -0.868 40.544 42.059 -1.078 0.000 0.892 672 L HN 0.310 8.540 8.230 -0.000 0.000 0.431 673 L N -0.441 120.497 121.223 -0.474 0.000 2.046 673 L HA -0.120 4.228 4.340 0.012 0.000 0.208 673 L C 2.609 179.197 176.870 -0.471 0.000 1.077 673 L CA 1.242 55.731 54.840 -0.586 0.000 0.747 673 L CB -1.618 39.795 42.059 -1.076 0.000 0.896 673 L HN 0.484 8.714 8.230 -0.000 0.000 0.432 674 G N -0.672 107.916 108.800 -0.354 0.000 2.513 674 G HA2 -0.381 3.586 3.960 0.012 0.000 0.219 674 G HA3 -0.381 3.586 3.960 0.012 0.000 0.219 674 G C 1.480 176.375 174.900 -0.009 0.000 1.160 674 G CA 1.182 46.242 45.100 -0.067 0.000 0.767 674 G HN 0.321 8.611 8.290 -0.000 0.000 0.571 675 Y N 1.216 121.418 120.300 -0.164 0.000 2.114 675 Y HA -0.006 4.551 4.550 0.011 0.000 0.284 675 Y C 2.718 178.569 175.900 -0.081 0.000 1.143 675 Y CA 1.383 59.416 58.100 -0.111 0.000 1.135 675 Y CB -0.529 37.906 38.460 -0.042 0.000 0.980 675 Y HN 0.117 8.397 8.280 -0.000 0.000 0.499 676 L N 0.219 121.356 121.223 -0.143 0.000 2.079 676 L HA -0.276 4.071 4.340 0.012 0.000 0.210 676 L C 2.306 179.118 176.870 -0.097 0.000 1.081 676 L CA 1.872 56.608 54.840 -0.173 0.000 0.752 676 L CB -0.779 41.218 42.059 -0.104 0.000 0.896 676 L HN 0.306 8.536 8.230 -0.000 0.000 0.433 677 N N 0.211 118.891 118.700 -0.034 0.000 2.106 677 N HA -0.196 4.551 4.740 0.012 0.000 0.188 677 N C 1.674 177.281 175.510 0.161 0.000 1.029 677 N CA 1.396 54.500 53.050 0.090 0.000 0.848 677 N CB -0.085 38.480 38.487 0.130 0.000 1.007 677 N HN 0.164 8.544 8.380 -0.000 0.000 0.423 678 N N 0.251 118.977 118.700 0.044 0.000 2.094 678 N HA -0.141 4.607 4.740 0.012 0.000 0.191 678 N C 1.353 176.906 175.510 0.072 0.000 1.023 678 N CA 0.968 54.061 53.050 0.071 0.000 0.857 678 N CB -0.292 38.148 38.487 -0.079 0.000 1.013 678 N HN 0.384 8.764 8.380 -0.000 0.000 0.426 679 L N -0.135 121.015 121.223 -0.121 0.000 2.599 679 L HA 0.113 4.460 4.340 0.012 0.000 0.230 679 L C 1.083 177.901 176.870 -0.086 0.000 1.141 679 L CA 0.140 54.871 54.840 -0.182 0.000 0.877 679 L CB -0.403 41.422 42.059 -0.390 0.000 1.009 679 L HN 0.171 8.401 8.230 -0.000 0.000 0.447 680 G N 0.604 109.477 108.800 0.121 0.000 2.273 680 G HA2 -0.303 3.664 3.960 0.012 0.000 0.280 680 G HA3 -0.303 3.664 3.960 0.012 0.000 0.280 680 G C 0.686 175.652 174.900 0.110 0.000 1.047 680 G CA 0.614 45.876 45.100 0.270 0.000 0.869 680 G HN 0.426 8.716 8.290 -0.000 0.000 0.502 681 I N -1.660 118.911 120.570 0.002 0.000 2.494 681 I HA 0.202 4.379 4.170 0.012 0.000 0.250 681 I C 1.088 177.245 176.117 0.066 0.000 1.112 681 I CA 0.768 62.049 61.300 -0.031 0.000 1.438 681 I CB 0.295 38.245 38.000 -0.083 0.000 1.111 681 I HN 0.146 8.356 8.210 -0.000 0.000 0.431 682 V N 1.433 121.389 119.914 0.071 0.000 2.888 682 V HA 0.403 4.530 4.120 0.012 0.000 0.309 682 V C -0.688 175.470 176.094 0.107 0.000 1.114 682 V CA -0.753 61.612 62.300 0.108 0.000 0.940 682 V CB 2.782 34.647 31.823 0.070 0.000 1.021 682 V HN -0.002 8.188 8.190 -0.000 0.000 0.426 683 L N 4.458 125.767 121.223 0.144 0.000 2.343 683 L HA 0.621 4.968 4.340 0.012 0.000 0.275 683 L C -1.188 175.712 176.870 0.050 0.000 1.056 683 L CA -0.663 54.201 54.840 0.040 0.000 0.804 683 L CB 1.277 43.383 42.059 0.078 0.000 1.203 683 L HN 0.747 8.977 8.230 -0.000 0.000 0.440 684 Y N 2.491 122.571 120.300 -0.367 0.000 2.287 684 Y HA 0.377 4.933 4.550 0.009 0.000 0.321 684 Y C -1.706 173.975 175.900 -0.365 0.000 1.173 684 Y CA -0.921 57.016 58.100 -0.271 0.000 1.124 684 Y CB 0.910 39.237 38.460 -0.222 0.000 1.201 684 Y HN 0.335 8.615 8.280 -0.000 0.000 0.421 685 F N 4.865 124.625 119.950 -0.317 0.000 2.318 685 F HA 0.428 4.961 4.527 0.011 0.000 0.356 685 F C 1.285 176.842 175.800 -0.405 0.000 1.109 685 F CA 0.319 58.178 58.000 -0.235 0.000 1.234 685 F CB 0.788 39.769 39.000 -0.032 0.000 1.545 685 F HN 0.812 9.112 8.300 -0.000 0.000 0.534 686 E N 1.696 121.620 120.200 -0.460 0.000 2.187 686 E HA -0.239 4.118 4.350 0.012 0.000 0.199 686 E C 2.227 178.776 176.600 -0.084 0.000 1.004 686 E CA 1.551 57.751 56.400 -0.332 0.000 0.813 686 E CB -0.524 29.078 29.700 -0.162 0.000 0.736 686 E HN 0.655 9.015 8.360 -0.000 0.000 0.468 687 A N 0.139 122.951 122.820 -0.014 0.000 1.902 687 A HA 0.047 4.374 4.320 0.012 0.000 0.217 687 A C 2.517 180.115 177.584 0.024 0.000 1.181 687 A CA 1.629 53.676 52.037 0.017 0.000 0.623 687 A CB -0.279 18.740 19.000 0.031 0.000 0.818 687 A HN 0.500 8.650 8.150 -0.000 0.000 0.443 688 L N -2.043 119.204 121.223 0.041 0.000 2.102 688 L HA 0.030 4.378 4.340 0.012 0.000 0.202 688 L C 0.875 177.812 176.870 0.113 0.000 1.076 688 L CA 0.727 55.605 54.840 0.064 0.000 0.761 688 L CB -0.491 41.601 42.059 0.055 0.000 0.921 688 L HN 0.358 8.588 8.230 -0.000 0.000 0.444 689 D N 0.471 120.936 120.400 0.109 0.000 2.689 689 D HA -0.174 4.474 4.640 0.012 0.000 0.237 689 D C -0.641 175.794 176.300 0.226 0.000 1.148 689 D CA 0.374 54.461 54.000 0.145 0.000 0.656 689 D CB -0.833 40.037 40.800 0.116 0.000 1.050 689 D HN -0.075 8.295 8.370 -0.000 0.000 0.426 690 L N 0.702 122.072 121.223 0.245 0.000 2.319 690 L HA 0.259 4.607 4.340 0.012 0.000 0.280 690 L C 1.795 178.792 176.870 0.212 0.000 1.099 690 L CA 0.223 55.172 54.840 0.182 0.000 0.828 690 L CB 1.383 43.514 42.059 0.120 0.000 1.150 690 L HN -0.036 8.194 8.230 -0.000 0.000 0.442 691 S N 1.439 117.200 115.700 0.102 0.000 2.383 691 S HA -0.187 4.291 4.470 0.012 0.000 0.229 691 S C 1.491 176.102 174.600 0.018 0.000 1.030 691 S CA 1.503 59.700 58.200 -0.006 0.000 1.002 691 S CB -0.058 63.111 63.200 -0.052 0.000 0.829 691 S HN 0.724 9.034 8.310 -0.000 0.000 0.467 692 E N 0.441 120.647 120.200 0.010 0.000 2.158 692 E HA 0.147 4.504 4.350 0.012 0.000 0.191 692 E C 0.286 176.840 176.600 -0.075 0.000 0.982 692 E CA 0.617 57.009 56.400 -0.013 0.000 0.823 692 E CB 0.120 29.805 29.700 -0.025 0.000 0.766 692 E HN 0.459 8.819 8.360 -0.000 0.000 0.468 693 I N 0.926 121.371 120.570 -0.208 0.000 2.502 693 I HA 0.158 4.335 4.170 0.012 0.000 0.276 693 I C -0.522 175.535 176.117 -0.100 0.000 1.057 693 I CA -0.422 60.617 61.300 -0.435 0.000 1.163 693 I CB 0.738 38.087 38.000 -1.085 0.000 1.288 693 I HN 0.013 8.223 8.210 -0.000 0.000 0.479 694 Y N 5.485 125.773 120.300 -0.021 0.000 2.464 694 Y HA 0.369 4.925 4.550 0.010 0.000 0.288 694 Y C 0.485 176.524 175.900 0.232 0.000 1.133 694 Y CA 0.434 58.601 58.100 0.111 0.000 1.223 694 Y CB 0.901 39.432 38.460 0.119 0.000 1.187 694 Y HN 0.206 8.486 8.280 -0.000 0.000 0.539 695 V N 1.698 121.752 119.914 0.233 0.000 2.668 695 V HA 0.374 4.501 4.120 0.012 0.000 0.304 695 V C -1.452 174.795 176.094 0.255 0.000 1.071 695 V CA -0.825 61.598 62.300 0.206 0.000 0.894 695 V CB 1.986 33.913 31.823 0.173 0.000 1.008 695 V HN -0.056 8.134 8.190 -0.000 0.000 0.425 696 L N 3.134 124.536 121.223 0.297 0.000 2.354 696 L HA 0.573 4.921 4.340 0.012 0.000 0.269 696 L C -0.220 176.860 176.870 0.349 0.000 1.005 696 L CA -0.474 54.595 54.840 0.383 0.000 0.819 696 L CB 1.646 44.044 42.059 0.565 0.000 1.311 696 L HN 0.694 8.924 8.230 -0.000 0.000 0.423 697 D N 2.821 123.430 120.400 0.348 0.000 2.358 697 D HA 0.152 4.800 4.640 0.012 0.000 0.258 697 D C -1.726 174.879 176.300 0.510 0.000 1.223 697 D CA -1.128 53.089 54.000 0.362 0.000 0.886 697 D CB 1.202 42.180 40.800 0.298 0.000 1.120 697 D HN 0.244 8.614 8.370 -0.000 0.000 0.482 698 P HA -0.221 4.199 4.420 -0.000 0.000 0.217 698 P C 0.730 178.446 177.300 0.692 0.000 1.148 698 P CA 1.124 64.556 63.100 0.554 0.000 0.834 698 P CB 0.072 32.123 31.700 0.584 0.000 0.783 699 H N -2.364 117.025 119.070 0.530 0.000 2.363 699 H HA -0.101 4.462 4.556 0.012 0.000 0.301 699 H C 1.809 177.450 175.328 0.522 0.000 1.074 699 H CA 1.230 57.552 56.048 0.456 0.000 1.354 699 H CB -1.054 28.920 29.762 0.354 0.000 1.397 699 H HN 0.125 8.405 8.280 -0.000 0.000 0.516 700 W N 0.501 122.103 121.300 0.503 0.000 2.363 700 W HA -0.150 4.516 4.660 0.011 0.000 0.296 700 W C 2.094 178.899 176.519 0.476 0.000 1.212 700 W CA 1.821 59.476 57.345 0.517 0.000 1.260 700 W CB -0.482 29.219 29.460 0.403 0.000 1.131 700 W HN -0.001 8.179 8.180 -0.000 0.000 0.530 701 V N 0.914 121.139 119.914 0.519 0.000 2.358 701 V HA -0.317 3.811 4.120 0.012 0.000 0.246 701 V C 2.609 178.826 176.094 0.206 0.000 1.047 701 V CA 2.659 65.118 62.300 0.265 0.000 1.035 701 V CB -1.393 30.675 31.823 0.410 0.000 0.658 701 V HN 0.430 8.620 8.190 -0.000 0.000 0.452 702 T N -1.314 113.468 114.554 0.380 0.000 2.737 702 T HA -0.154 4.204 4.350 0.012 0.000 0.265 702 T C 1.872 176.764 174.700 0.319 0.000 1.038 702 T CA 1.667 64.036 62.100 0.448 0.000 1.144 702 T CB -0.516 68.719 68.868 0.613 0.000 0.866 702 T HN 0.347 8.587 8.240 -0.000 0.000 0.434 703 I N 1.866 122.493 120.570 0.094 0.000 2.361 703 I HA -0.002 4.176 4.170 0.012 0.000 0.251 703 I C 2.869 178.916 176.117 -0.118 0.000 1.133 703 I CA 1.049 62.276 61.300 -0.121 0.000 1.413 703 I CB -0.639 37.011 38.000 -0.582 0.000 1.073 703 I HN 0.458 8.668 8.210 -0.000 0.000 0.424 704 G N 0.522 109.209 108.800 -0.188 0.000 2.480 704 G HA2 -0.280 3.688 3.960 0.012 0.000 0.216 704 G HA3 -0.280 3.688 3.960 0.012 0.000 0.216 704 G C 1.773 176.469 174.900 -0.341 0.000 1.200 704 G CA 1.297 46.071 45.100 -0.544 0.000 0.782 704 G HN 0.379 8.669 8.290 -0.000 0.000 0.554 705 V N -1.559 118.247 119.914 -0.179 0.000 2.515 705 V HA -0.085 4.042 4.120 0.012 0.000 0.250 705 V C 2.341 178.363 176.094 -0.120 0.000 1.058 705 V CA 1.716 63.915 62.300 -0.167 0.000 1.064 705 V CB -0.805 30.930 31.823 -0.147 0.000 0.675 705 V HN 0.377 8.567 8.190 -0.000 0.000 0.461 706 Y N 1.200 121.463 120.300 -0.061 0.000 2.224 706 Y HA -0.034 4.523 4.550 0.012 0.000 0.289 706 Y C 2.907 178.763 175.900 -0.072 0.000 1.146 706 Y CA 2.272 60.355 58.100 -0.029 0.000 1.182 706 Y CB -0.195 38.263 38.460 -0.005 0.000 0.983 706 Y HN 0.184 8.464 8.280 -0.000 0.000 0.524 707 R N -0.423 120.085 120.500 0.013 0.000 2.092 707 R HA -0.137 4.210 4.340 0.012 0.000 0.231 707 R C 1.955 178.207 176.300 -0.080 0.000 1.119 707 R CA 1.335 57.401 56.100 -0.056 0.000 0.970 707 R CB -0.439 29.781 30.300 -0.135 0.000 0.864 707 R HN 0.327 8.597 8.270 -0.000 0.000 0.440 708 I N 1.246 121.737 120.570 -0.131 0.000 2.099 708 I HA -0.271 3.906 4.170 0.012 0.000 0.239 708 I C 2.558 178.624 176.117 -0.086 0.000 1.066 708 I CA 1.464 62.688 61.300 -0.127 0.000 1.324 708 I CB -1.151 36.743 38.000 -0.176 0.000 1.037 708 I HN 0.096 8.306 8.210 -0.000 0.000 0.401 709 I N 1.039 121.552 120.570 -0.096 0.000 2.185 709 I HA -0.340 3.838 4.170 0.012 0.000 0.246 709 I C 1.462 177.560 176.117 -0.031 0.000 1.088 709 I CA 1.960 63.210 61.300 -0.083 0.000 1.347 709 I CB -0.444 37.465 38.000 -0.151 0.000 1.041 709 I HN 0.368 8.578 8.210 -0.000 0.000 0.415 710 N N -0.645 118.057 118.700 0.003 0.000 2.230 710 N HA 0.041 4.788 4.740 0.012 0.000 0.202 710 N C 0.397 175.923 175.510 0.027 0.000 1.119 710 N CA -0.212 52.858 53.050 0.034 0.000 0.851 710 N CB 0.429 38.965 38.487 0.081 0.000 0.990 710 N HN 0.082 8.462 8.380 -0.000 0.000 0.497 711 S N 0.192 115.900 115.700 0.012 0.000 2.573 711 S HA 0.005 4.482 4.470 0.012 0.000 0.277 711 S C 1.514 176.140 174.600 0.044 0.000 1.346 711 S CA -0.347 57.872 58.200 0.032 0.000 1.034 711 S CB 0.698 63.916 63.200 0.030 0.000 0.879 711 S HN 0.370 8.680 8.310 -0.000 0.000 0.528 712 S N 2.716 118.458 115.700 0.070 0.000 2.522 712 S HA 0.045 4.522 4.470 0.012 0.000 0.227 712 S C 1.543 176.170 174.600 0.044 0.000 0.986 712 S CA 0.700 58.934 58.200 0.057 0.000 0.929 712 S CB -0.481 62.758 63.200 0.065 0.000 0.769 712 S HN 0.888 9.198 8.310 -0.000 0.000 0.529 713 K N 0.992 121.424 120.400 0.054 0.000 2.404 713 K HA 0.238 4.565 4.320 0.012 0.000 0.194 713 K C 1.519 178.131 176.600 0.021 0.000 1.023 713 K CA 0.755 57.058 56.287 0.027 0.000 1.094 713 K CB -0.779 31.735 32.500 0.024 0.000 0.841 713 K HN 0.740 8.990 8.250 -0.000 0.000 0.523 714 T N -5.333 109.231 114.554 0.017 0.000 3.275 714 T HA 0.308 4.665 4.350 0.012 0.000 0.298 714 T C 1.775 176.473 174.700 -0.004 0.000 0.988 714 T CA 0.783 62.883 62.100 0.001 0.000 0.936 714 T CB 0.546 69.399 68.868 -0.025 0.000 1.159 714 T HN 0.322 8.562 8.240 -0.000 0.000 0.519 715 K N 1.131 121.538 120.400 0.012 0.000 2.360 715 K HA 0.077 4.405 4.320 0.012 0.000 0.201 715 K C 1.936 178.539 176.600 0.005 0.000 1.046 715 K CA 1.546 57.840 56.287 0.011 0.000 0.945 715 K CB -1.797 30.716 32.500 0.022 0.000 0.750 715 K HN 0.837 9.087 8.250 -0.000 0.000 0.464 716 N N -0.842 117.867 118.700 0.015 0.000 2.236 716 N HA 0.370 5.117 4.740 0.012 0.000 0.196 716 N C 1.699 177.150 175.510 -0.097 0.000 1.114 716 N CA 0.963 54.025 53.050 0.020 0.000 0.859 716 N CB 0.240 38.798 38.487 0.119 0.000 0.982 716 N HN 1.173 9.553 8.380 -0.000 0.000 0.493 717 G N -0.459 108.254 108.800 -0.146 0.000 2.176 717 G HA2 -0.150 3.817 3.960 0.012 0.000 0.232 717 G HA3 -0.150 3.817 3.960 0.012 0.000 0.232 717 G C -0.305 174.340 174.900 -0.425 0.000 0.986 717 G CA 0.256 45.184 45.100 -0.287 0.000 0.643 717 G HN 0.808 9.098 8.290 -0.000 0.000 0.522 718 H N -0.846 118.207 119.070 -0.027 0.000 2.481 718 H HA 0.627 5.191 4.556 0.012 0.000 0.333 718 H C -0.284 175.029 175.328 -0.026 0.000 1.066 718 H CA -0.692 55.339 56.048 -0.027 0.000 1.209 718 H CB 1.994 31.744 29.762 -0.019 0.000 1.445 718 H HN 0.253 8.533 8.280 -0.000 0.000 0.488 719 L N 3.538 124.810 121.223 0.082 0.000 2.277 719 L HA 0.302 4.649 4.340 0.012 0.000 0.284 719 L C -0.362 176.520 176.870 0.019 0.000 1.028 719 L CA -0.522 54.326 54.840 0.012 0.000 0.835 719 L CB 0.507 42.528 42.059 -0.062 0.000 1.215 719 L HN 0.606 8.836 8.230 -0.000 0.000 0.425 720 N N 3.131 121.834 118.700 0.005 0.000 2.401 720 N HA 0.030 4.777 4.740 0.012 0.000 0.255 720 N C 0.758 176.238 175.510 -0.050 0.000 1.110 720 N CA 0.336 53.382 53.050 -0.008 0.000 0.949 720 N CB 1.289 39.769 38.487 -0.012 0.000 1.110 720 N HN 0.770 9.150 8.380 -0.000 0.000 0.490 721 T N 2.213 116.724 114.554 -0.071 0.000 2.685 721 T HA -0.180 4.177 4.350 0.012 0.000 0.268 721 T C 1.708 176.361 174.700 -0.078 0.000 1.034 721 T CA 2.016 64.039 62.100 -0.130 0.000 1.149 721 T CB -0.061 68.738 68.868 -0.115 0.000 0.860 721 T HN 0.602 8.842 8.240 -0.000 0.000 0.449 722 S N 1.518 117.195 115.700 -0.039 0.000 2.392 722 S HA -0.191 4.286 4.470 0.012 0.000 0.232 722 S C 2.418 177.011 174.600 -0.012 0.000 1.041 722 S CA 1.128 59.315 58.200 -0.021 0.000 1.026 722 S CB -0.528 62.662 63.200 -0.017 0.000 0.845 722 S HN 0.676 8.986 8.310 -0.000 0.000 0.465 723 A N 1.024 123.834 122.820 -0.018 0.000 2.119 723 A HA 0.199 4.527 4.320 0.012 0.000 0.217 723 A C 1.971 179.584 177.584 0.049 0.000 1.153 723 A CA 0.454 52.501 52.037 0.016 0.000 0.692 723 A CB -0.575 18.426 19.000 0.001 0.000 0.799 723 A HN 0.454 8.604 8.150 -0.000 0.000 0.458 724 L N -0.601 120.614 121.223 -0.015 0.000 2.043 724 L HA -0.237 4.110 4.340 0.012 0.000 0.212 724 L C 2.804 179.674 176.870 0.001 0.000 1.075 724 L CA 1.349 56.163 54.840 -0.043 0.000 0.752 724 L CB -0.943 41.057 42.059 -0.098 0.000 0.891 724 L HN 0.513 8.743 8.230 -0.000 0.000 0.432 725 G N -0.930 107.894 108.800 0.041 0.000 2.459 725 G HA2 -0.372 3.595 3.960 0.012 0.000 0.217 725 G HA3 -0.372 3.595 3.960 0.012 0.000 0.217 725 G C 1.405 176.359 174.900 0.089 0.000 1.183 725 G CA 1.093 46.235 45.100 0.069 0.000 0.776 725 G HN 0.367 8.658 8.290 -0.000 0.000 0.552 726 Y N 1.337 121.635 120.300 -0.003 0.000 2.049 726 Y HA -0.188 4.370 4.550 0.012 0.000 0.277 726 Y C 2.733 178.628 175.900 -0.009 0.000 1.143 726 Y CA 1.895 59.995 58.100 -0.001 0.000 1.115 726 Y CB -0.417 38.039 38.460 -0.007 0.000 0.975 726 Y HN 0.188 8.468 8.280 -0.000 0.000 0.487 727 I N 0.015 120.641 120.570 0.094 0.000 2.113 727 I HA -0.404 3.773 4.170 0.012 0.000 0.242 727 I C 2.308 178.340 176.117 -0.141 0.000 1.057 727 I CA 2.031 63.315 61.300 -0.027 0.000 1.314 727 I CB -0.549 37.453 38.000 0.004 0.000 1.022 727 I HN 0.305 8.515 8.210 -0.000 0.000 0.408 728 L N -0.539 120.613 121.223 -0.118 0.000 2.341 728 L HA -0.062 4.285 4.340 0.012 0.000 0.214 728 L C 1.568 178.440 176.870 0.003 0.000 1.115 728 L CA 1.229 55.986 54.840 -0.138 0.000 0.820 728 L CB -0.296 41.625 42.059 -0.230 0.000 0.944 728 L HN 0.288 8.518 8.230 -0.000 0.000 0.452 729 N N -1.567 117.121 118.700 -0.020 0.000 2.360 729 N HA -0.034 4.714 4.740 0.012 0.000 0.211 729 N C 1.254 176.732 175.510 -0.052 0.000 1.147 729 N CA 0.237 53.304 53.050 0.029 0.000 0.866 729 N CB 0.671 39.204 38.487 0.077 0.000 1.206 729 N HN 0.295 8.675 8.380 -0.000 0.000 0.478 730 E N 0.253 120.339 120.200 -0.190 0.000 2.421 730 E HA 0.126 4.484 4.350 0.012 0.000 0.209 730 E C 0.347 176.734 176.600 -0.356 0.000 0.871 730 E CA -0.068 56.198 56.400 -0.223 0.000 1.064 730 E CB 0.395 30.009 29.700 -0.144 0.000 1.075 730 E HN 0.221 8.581 8.360 -0.000 0.000 0.513 746 F N 3.339 123.319 119.950 0.051 0.000 2.359 746 F HA 0.521 5.055 4.527 0.012 0.000 0.370 746 F C 0.458 176.287 175.800 0.048 0.000 1.077 746 F CA -0.296 57.761 58.000 0.095 0.000 1.136 746 F CB 2.037 41.142 39.000 0.175 0.000 1.387 746 F HN 0.373 8.673 8.300 -0.000 0.000 0.468 747 T N -1.369 113.201 114.554 0.027 0.000 2.912 747 T HA 0.689 5.046 4.350 0.012 0.000 0.288 747 T C -1.173 173.462 174.700 -0.108 0.000 1.030 747 T CA -0.824 61.313 62.100 0.063 0.000 1.020 747 T CB 1.652 70.558 68.868 0.064 0.000 1.056 747 T HN 0.266 8.506 8.240 -0.000 0.000 0.480 748 Y N 0.997 121.444 120.300 0.244 0.000 2.327 748 Y HA 0.447 5.004 4.550 0.012 0.000 0.325 748 Y C 1.140 177.148 175.900 0.180 0.000 0.999 748 Y CA -1.093 57.163 58.100 0.259 0.000 1.195 748 Y CB 1.666 40.176 38.460 0.084 0.000 1.132 748 Y HN 1.028 9.308 8.280 -0.000 0.000 0.455 749 T N -1.165 113.570 114.554 0.301 0.000 2.726 749 T HA 0.115 4.472 4.350 0.012 0.000 0.294 749 T C 1.136 175.944 174.700 0.180 0.000 1.013 749 T CA -0.536 61.684 62.100 0.200 0.000 0.996 749 T CB 0.747 69.714 68.868 0.166 0.000 1.016 749 T HN 0.467 8.707 8.240 -0.000 0.000 0.529 750 L N 0.300 121.597 121.223 0.123 0.000 1.989 750 L HA -0.038 4.310 4.340 0.012 0.000 0.211 750 L C 2.536 179.463 176.870 0.096 0.000 1.071 750 L CA 1.393 56.288 54.840 0.092 0.000 0.749 750 L CB -1.477 40.622 42.059 0.067 0.000 0.890 750 L HN 0.586 8.816 8.230 -0.000 0.000 0.431 751 L N -0.529 120.757 121.223 0.105 0.000 1.970 751 L HA -0.245 4.102 4.340 0.012 0.000 0.212 751 L C 2.543 179.497 176.870 0.140 0.000 1.071 751 L CA 1.649 56.550 54.840 0.101 0.000 0.751 751 L CB -1.227 40.882 42.059 0.083 0.000 0.889 751 L HN 0.358 8.588 8.230 -0.000 0.000 0.432 752 E N -0.939 119.383 120.200 0.205 0.000 2.136 752 E HA -0.324 4.034 4.350 0.012 0.000 0.202 752 E C 2.132 178.873 176.600 0.234 0.000 1.019 752 E CA 1.857 58.450 56.400 0.322 0.000 0.819 752 E CB -0.185 29.853 29.700 0.564 0.000 0.739 752 E HN 0.598 8.958 8.360 -0.000 0.000 0.458 753 Q N -0.035 119.858 119.800 0.155 0.000 2.050 753 Q HA -0.134 4.213 4.340 0.012 0.000 0.202 753 Q C 2.248 178.230 176.000 -0.032 0.000 0.980 753 Q CA 0.975 56.792 55.803 0.023 0.000 0.840 753 Q CB -0.043 28.697 28.738 0.004 0.000 0.898 753 Q HN 0.118 8.388 8.270 -0.000 0.000 0.424 754 R N 0.008 120.516 120.500 0.013 0.000 2.091 754 R HA -0.182 4.165 4.340 0.012 0.000 0.238 754 R C 2.054 178.355 176.300 0.001 0.000 1.136 754 R CA 1.441 57.538 56.100 -0.005 0.000 0.959 754 R CB -1.002 29.322 30.300 0.039 0.000 0.856 754 R HN 0.403 8.673 8.270 -0.000 0.000 0.437 755 Y N 1.100 121.360 120.300 -0.065 0.000 2.224 755 Y HA -0.177 4.380 4.550 0.011 0.000 0.289 755 Y C 2.197 177.990 175.900 -0.177 0.000 1.146 755 Y CA 1.117 59.160 58.100 -0.095 0.000 1.182 755 Y CB -0.283 38.146 38.460 -0.052 0.000 0.983 755 Y HN -0.052 8.228 8.280 -0.000 0.000 0.524 756 L N -0.179 120.987 121.223 -0.096 0.000 2.046 756 L HA -0.203 4.144 4.340 0.012 0.000 0.208 756 L C 2.247 178.905 176.870 -0.354 0.000 1.077 756 L CA 1.519 56.197 54.840 -0.269 0.000 0.747 756 L CB -0.876 41.020 42.059 -0.271 0.000 0.896 756 L HN 0.312 8.542 8.230 -0.000 0.000 0.432 757 L N -0.851 120.200 121.223 -0.288 0.000 2.013 757 L HA -0.298 4.050 4.340 0.012 0.000 0.212 757 L C 2.300 179.040 176.870 -0.218 0.000 1.073 757 L CA 1.731 56.407 54.840 -0.274 0.000 0.753 757 L CB -0.685 41.189 42.059 -0.308 0.000 0.890 757 L HN 0.326 8.556 8.230 -0.000 0.000 0.432 758 D N -0.059 120.179 120.400 -0.270 0.000 2.123 758 D HA -0.172 4.475 4.640 0.012 0.000 0.196 758 D C 2.234 178.249 176.300 -0.476 0.000 0.992 758 D CA 1.220 55.031 54.000 -0.316 0.000 0.833 758 D CB -0.036 40.533 40.800 -0.384 0.000 0.954 758 D HN 0.320 8.690 8.370 -0.000 0.000 0.455 759 I N 0.592 120.737 120.570 -0.707 0.000 2.226 759 I HA -0.271 3.907 4.170 0.012 0.000 0.245 759 I C 2.528 178.187 176.117 -0.763 0.000 1.100 759 I CA 0.685 61.429 61.300 -0.926 0.000 1.374 759 I CB -0.134 37.199 38.000 -1.111 0.000 1.057 759 I HN 0.016 8.226 8.210 -0.000 0.000 0.413 760 M N 0.237 119.514 119.600 -0.539 0.000 2.082 760 M HA -0.278 4.209 4.480 0.012 0.000 0.258 760 M C 2.298 178.541 176.300 -0.094 0.000 1.069 760 M CA 1.947 57.075 55.300 -0.287 0.000 1.102 760 M CB -1.040 31.448 32.600 -0.188 0.000 1.336 760 M HN 0.175 8.465 8.290 -0.000 0.000 0.404 761 K N -0.036 120.314 120.400 -0.083 0.000 2.063 761 K HA -0.235 4.092 4.320 0.012 0.000 0.208 761 K C 2.125 178.727 176.600 0.003 0.000 1.048 761 K CA 1.614 57.897 56.287 -0.007 0.000 0.928 761 K CB -0.172 32.324 32.500 -0.006 0.000 0.713 761 K HN 0.181 8.431 8.250 -0.000 0.000 0.442 762 Q N -0.307 119.465 119.800 -0.047 0.000 2.167 762 Q HA -0.077 4.271 4.340 0.012 0.000 0.202 762 Q C 1.348 177.507 176.000 0.264 0.000 0.970 762 Q CA 1.326 57.166 55.803 0.061 0.000 0.855 762 Q CB 0.054 28.785 28.738 -0.013 0.000 0.911 762 Q HN 0.170 8.440 8.270 -0.000 0.000 0.438 763 F N 1.109 121.036 119.950 -0.039 0.000 2.748 763 F HA 0.084 4.618 4.527 0.011 0.000 0.299 763 F C 0.286 176.076 175.800 -0.015 0.000 1.154 763 F CA 0.677 58.669 58.000 -0.013 0.000 1.446 763 F CB -0.241 38.736 39.000 -0.038 0.000 1.112 763 F HN 0.145 8.445 8.300 -0.000 0.000 0.584 764 E N -0.398 119.900 120.200 0.163 0.000 2.513 764 E HA -0.229 4.128 4.350 0.012 0.000 0.257 764 E C 0.928 177.586 176.600 0.097 0.000 1.098 764 E CA -0.104 56.353 56.400 0.095 0.000 0.752 764 E CB -1.342 28.392 29.700 0.056 0.000 1.324 764 E HN 0.201 8.561 8.360 -0.000 0.000 0.403 765 L N -1.171 120.113 121.223 0.102 0.000 2.590 765 L HA 0.179 4.527 4.340 0.012 0.000 0.227 765 L C 1.107 178.009 176.870 0.053 0.000 1.099 765 L CA 1.134 56.015 54.840 0.068 0.000 0.872 765 L CB 0.031 42.123 42.059 0.055 0.000 1.088 765 L HN 0.520 8.750 8.230 -0.000 0.000 0.479 766 C N -2.609 116.740 119.300 0.081 0.000 3.321 766 C HA 0.667 5.134 4.460 0.012 0.000 0.329 766 C C -0.857 174.224 174.990 0.152 0.000 1.394 766 C CA -1.145 57.928 59.018 0.091 0.000 1.291 766 C CB 1.380 29.182 27.740 0.103 0.000 1.606 766 C HN 0.317 8.547 8.230 -0.000 0.000 0.463 767 Y N -0.579 119.702 120.300 -0.032 0.000 2.534 767 Y HA 0.711 5.269 4.550 0.013 0.000 0.345 767 Y C -0.897 174.747 175.900 -0.426 0.000 1.031 767 Y CA -0.827 57.170 58.100 -0.172 0.000 1.022 767 Y CB 0.752 39.136 38.460 -0.127 0.000 1.292 767 Y HN 0.804 9.084 8.280 -0.000 0.000 0.459 768 D N 2.113 122.172 120.400 -0.570 0.000 2.351 768 D HA 0.098 4.745 4.640 0.012 0.000 0.251 768 D C 0.106 176.234 176.300 -0.286 0.000 1.137 768 D CA 0.279 53.731 54.000 -0.913 0.000 0.879 768 D CB 1.508 41.807 40.800 -0.835 0.000 1.181 768 D HN 0.944 9.314 8.370 -0.000 0.000 0.448 769 E N 1.684 121.729 120.200 -0.259 0.000 2.465 769 E HA 0.179 4.536 4.350 0.012 0.000 0.209 769 E C 0.675 177.250 176.600 -0.042 0.000 0.951 769 E CA 0.354 56.725 56.400 -0.048 0.000 0.997 769 E CB 0.338 30.029 29.700 -0.015 0.000 1.025 769 E HN 0.745 9.105 8.360 -0.000 0.000 0.500 770 G N 0.077 108.835 108.800 -0.070 0.000 2.164 770 G HA2 -0.204 3.763 3.960 0.012 0.000 0.154 770 G HA3 -0.204 3.763 3.960 0.012 0.000 0.154 770 G C 0.681 175.587 174.900 0.011 0.000 1.014 770 G CA 0.321 45.407 45.100 -0.025 0.000 0.683 770 G HN 0.311 8.601 8.290 -0.000 0.000 0.500 771 K N 0.179 120.595 120.400 0.028 0.000 2.374 771 K HA 0.739 5.066 4.320 0.012 0.000 0.202 771 K C 2.132 178.773 176.600 0.068 0.000 1.040 771 K CA 1.362 57.672 56.287 0.038 0.000 1.085 771 K CB 0.117 32.630 32.500 0.023 0.000 0.873 771 K HN 2.141 10.391 8.250 -0.000 0.000 0.539 772 G N -1.638 107.237 108.800 0.126 0.000 2.160 772 G HA2 0.202 4.169 3.960 0.012 0.000 0.244 772 G HA3 0.202 4.169 3.960 0.012 0.000 0.244 772 G C 0.230 175.251 174.900 0.202 0.000 1.022 772 G CA 0.486 45.697 45.100 0.185 0.000 0.741 772 G HN 1.611 9.901 8.290 -0.000 0.000 0.508 773 L N -0.952 120.408 121.223 0.227 0.000 2.388 773 L HA 0.882 5.230 4.340 0.012 0.000 0.267 773 L C 0.082 177.092 176.870 0.234 0.000 0.995 773 L CA -1.206 53.749 54.840 0.192 0.000 0.864 773 L CB 0.183 42.290 42.059 0.081 0.000 1.216 773 L HN 0.211 8.441 8.230 -0.000 0.000 0.430 774 F N 3.528 123.425 119.950 -0.088 0.000 2.371 774 F HA 0.781 5.315 4.527 0.012 0.000 0.329 774 F C 0.602 176.258 175.800 -0.239 0.000 1.107 774 F CA -1.503 56.391 58.000 -0.176 0.000 1.137 774 F CB 1.524 40.437 39.000 -0.145 0.000 1.214 774 F HN 0.322 8.622 8.300 -0.000 0.000 0.536 775 I N 4.273 124.636 120.570 -0.345 0.000 2.354 775 I HA 0.295 4.472 4.170 0.012 0.000 0.292 775 I C -0.185 175.770 176.117 -0.270 0.000 0.989 775 I CA -0.461 60.591 61.300 -0.414 0.000 1.188 775 I CB 1.172 38.726 38.000 -0.744 0.000 1.342 775 I HN 0.412 8.622 8.210 -0.000 0.000 0.457 776 I N 8.214 128.680 120.570 -0.172 0.000 2.412 776 I HA 0.224 4.401 4.170 0.012 0.000 0.279 776 I C -1.563 174.495 176.117 -0.099 0.000 1.063 776 I CA -1.494 59.748 61.300 -0.097 0.000 1.193 776 I CB 1.096 39.048 38.000 -0.079 0.000 1.370 776 I HN 0.271 8.481 8.210 -0.000 0.000 0.479 777 P HA -0.206 4.214 4.420 -0.000 0.000 0.216 777 P C 1.604 178.849 177.300 -0.091 0.000 1.150 777 P CA 1.312 64.377 63.100 -0.058 0.000 0.843 777 P CB 0.144 31.841 31.700 -0.005 0.000 0.787 778 S N -1.910 113.749 115.700 -0.069 0.000 2.555 778 S HA -0.047 4.430 4.470 0.012 0.000 0.230 778 S C 1.358 175.910 174.600 -0.079 0.000 0.978 778 S CA 0.857 59.014 58.200 -0.071 0.000 0.934 778 S CB -1.290 61.892 63.200 -0.030 0.000 0.766 778 S HN 0.272 8.582 8.310 -0.000 0.000 0.533 779 N N 0.276 118.924 118.700 -0.087 0.000 2.205 779 N HA 0.348 5.096 4.740 0.012 0.000 0.201 779 N C -0.297 175.155 175.510 -0.097 0.000 1.128 779 N CA -0.264 52.738 53.050 -0.080 0.000 0.867 779 N CB 0.238 38.683 38.487 -0.070 0.000 0.996 779 N HN 0.311 8.691 8.380 -0.000 0.000 0.503 780 L N 1.845 122.995 121.223 -0.121 0.000 2.482 780 L HA 0.152 4.499 4.340 0.012 0.000 0.273 780 L C -1.945 174.891 176.870 -0.055 0.000 1.228 780 L CA -1.476 53.302 54.840 -0.104 0.000 0.827 780 L CB 0.011 42.019 42.059 -0.085 0.000 1.099 780 L HN -0.169 8.061 8.230 -0.000 0.000 0.494 781 P HA -0.004 4.416 4.420 -0.000 0.000 0.269 781 P C 0.481 177.813 177.300 0.054 0.000 1.215 781 P CA -0.143 62.976 63.100 0.032 0.000 0.780 781 P CB 0.472 32.205 31.700 0.055 0.000 0.898 782 T N -2.523 112.070 114.554 0.065 0.000 2.985 782 T HA 0.075 4.432 4.350 0.012 0.000 0.266 782 T C 0.855 175.702 174.700 0.245 0.000 1.076 782 T CA 0.960 63.156 62.100 0.161 0.000 1.135 782 T CB -0.648 68.393 68.868 0.287 0.000 0.890 782 T HN 0.583 8.823 8.240 -0.000 0.000 0.480 783 Q N 0.129 119.970 119.800 0.068 0.000 2.377 783 Q HA 0.793 5.141 4.340 0.012 0.000 0.271 783 Q C -0.373 175.516 176.000 -0.185 0.000 1.077 783 Q CA -1.037 54.696 55.803 -0.118 0.000 0.820 783 Q CB 1.252 29.938 28.738 -0.087 0.000 1.347 783 Q HN 0.576 8.846 8.270 -0.000 0.000 0.444 791 T N -0.435 114.133 114.554 0.024 0.000 3.460 791 T HA 0.523 4.881 4.350 0.012 0.000 0.304 791 T C -0.179 174.531 174.700 0.017 0.000 0.991 791 T CA 0.752 62.863 62.100 0.018 0.000 0.975 791 T CB -0.209 68.666 68.868 0.012 0.000 1.196 791 T HN 1.355 9.595 8.240 -0.000 0.000 0.490 792 E N 1.048 121.260 120.200 0.021 0.000 2.338 792 E HA 0.528 4.885 4.350 0.012 0.000 0.272 792 E C 1.336 177.947 176.600 0.018 0.000 1.029 792 E CA 0.509 56.920 56.400 0.019 0.000 0.872 792 E CB 0.185 29.898 29.700 0.021 0.000 1.015 792 E HN 0.919 9.279 8.360 -0.000 0.000 0.417 793 G N 2.648 111.458 108.800 0.016 0.000 2.614 793 G HA2 -0.326 3.642 3.960 0.012 0.000 0.303 793 G HA3 -0.326 3.642 3.960 0.012 0.000 0.303 793 G C 0.477 175.387 174.900 0.017 0.000 1.270 793 G CA 0.648 45.757 45.100 0.016 0.000 0.988 793 G HN 1.448 9.738 8.290 -0.000 0.000 0.551 794 E N 1.686 121.897 120.200 0.018 0.000 2.167 794 E HA 0.636 4.993 4.350 0.012 0.000 0.247 794 E C -2.284 174.328 176.600 0.020 0.000 0.961 794 E CA -1.028 55.385 56.400 0.020 0.000 0.797 794 E CB 0.518 30.232 29.700 0.024 0.000 1.182 794 E HN 0.611 8.971 8.360 -0.000 0.000 0.437 795 P HA 0.073 4.493 4.420 -0.000 0.000 0.266 795 P C 0.080 177.391 177.300 0.019 0.000 1.215 795 P CA -0.347 62.766 63.100 0.021 0.000 0.763 795 P CB 0.645 32.359 31.700 0.023 0.000 0.806 796 L N 5.243 126.475 121.223 0.015 0.000 2.477 796 L HA 0.141 4.488 4.340 0.012 0.000 0.272 796 L C 0.392 177.271 176.870 0.015 0.000 1.157 796 L CA 0.176 55.021 54.840 0.008 0.000 0.889 796 L CB 0.011 42.063 42.059 -0.012 0.000 1.158 796 L HN 0.352 8.582 8.230 -0.000 0.000 0.473 797 R N 5.242 125.757 120.500 0.026 0.000 2.599 797 R HA 0.524 4.872 4.340 0.012 0.000 0.295 797 R C -1.587 174.763 176.300 0.082 0.000 0.963 797 R CA -0.657 55.464 56.100 0.035 0.000 0.883 797 R CB 2.450 32.756 30.300 0.011 0.000 1.171 797 R HN 0.455 8.725 8.270 -0.000 0.000 0.450 798 F N 3.263 123.129 119.950 -0.140 0.000 2.607 798 F HA 0.486 5.021 4.527 0.012 0.000 0.322 798 F C -1.434 174.265 175.800 -0.169 0.000 1.176 798 F CA -0.628 57.243 58.000 -0.214 0.000 0.977 798 F CB 1.174 39.963 39.000 -0.350 0.000 1.242 798 F HN 0.342 8.642 8.300 -0.000 0.000 0.465 799 I N 6.398 126.663 120.570 -0.508 0.000 2.474 799 I HA 0.480 4.658 4.170 0.012 0.000 0.294 799 I C -0.805 175.119 176.117 -0.320 0.000 1.005 799 I CA -0.615 60.527 61.300 -0.262 0.000 1.113 799 I CB 2.087 40.018 38.000 -0.114 0.000 1.289 799 I HN 0.502 8.712 8.210 -0.000 0.000 0.436 800 M N 6.048 125.573 119.600 -0.125 0.000 2.125 800 M HA 0.405 4.893 4.480 0.012 0.000 0.321 800 M C -0.218 176.128 176.300 0.076 0.000 0.983 800 M CA -0.620 54.630 55.300 -0.083 0.000 0.934 800 M CB 1.502 34.095 32.600 -0.012 0.000 1.542 800 M HN 0.574 8.864 8.290 -0.000 0.000 0.424 801 K N 3.728 124.161 120.400 0.055 0.000 2.253 801 K HA 0.508 4.835 4.320 0.012 0.000 0.277 801 K C -1.494 175.132 176.600 0.043 0.000 1.053 801 K CA -0.248 56.121 56.287 0.138 0.000 0.892 801 K CB 0.317 32.970 32.500 0.254 0.000 1.102 801 K HN 0.640 8.890 8.250 -0.000 0.000 0.469 802 Y N 1.655 121.947 120.300 -0.014 0.000 2.352 802 Y HA 0.115 4.672 4.550 0.012 0.000 0.326 802 Y C 1.673 177.569 175.900 -0.005 0.000 1.166 802 Y CA -0.690 57.394 58.100 -0.028 0.000 1.182 802 Y CB 1.882 40.294 38.460 -0.080 0.000 1.216 802 Y HN 0.890 9.170 8.280 -0.000 0.000 0.474 803 D N 0.997 121.483 120.400 0.145 0.000 2.183 803 D HA -0.187 4.460 4.640 0.012 0.000 0.203 803 D C -0.241 176.171 176.300 0.187 0.000 0.969 803 D CA 1.149 55.227 54.000 0.131 0.000 0.842 803 D CB -0.026 40.830 40.800 0.093 0.000 0.957 803 D HN 0.484 8.854 8.370 -0.000 0.000 0.484 804 Y N 0.023 120.354 120.300 0.052 0.000 2.354 804 Y HA 0.415 4.972 4.550 0.012 0.000 0.330 804 Y C -1.597 174.254 175.900 -0.082 0.000 1.011 804 Y CA -1.489 56.588 58.100 -0.038 0.000 1.099 804 Y CB 1.616 39.997 38.460 -0.132 0.000 1.179 804 Y HN -0.128 8.152 8.280 -0.000 0.000 0.442 805 L N 9.745 130.600 121.223 -0.613 0.000 2.287 805 L HA 0.609 4.957 4.340 0.012 0.000 0.280 805 L C -2.630 173.765 176.870 -0.793 0.000 1.055 805 L CA -2.436 51.958 54.840 -0.744 0.000 0.863 805 L CB 0.200 41.877 42.059 -0.635 0.000 1.245 805 L HN 0.450 8.680 8.230 -0.000 0.000 0.432 806 P HA 0.048 4.468 4.420 -0.000 0.000 0.264 806 P C 0.465 177.609 177.300 -0.260 0.000 1.183 806 P CA 0.295 63.126 63.100 -0.448 0.000 0.763 806 P CB 0.511 31.685 31.700 -0.877 0.000 0.807 807 S N 0.271 115.942 115.700 -0.050 0.000 2.607 807 S HA -0.077 4.400 4.470 0.012 0.000 0.224 807 S C 1.295 175.922 174.600 0.045 0.000 0.969 807 S CA 0.965 59.169 58.200 0.005 0.000 0.927 807 S CB -1.074 62.179 63.200 0.089 0.000 0.772 807 S HN 0.557 8.867 8.310 -0.000 0.000 0.533 808 T N -0.438 114.175 114.554 0.100 0.000 3.065 808 T HA 0.274 4.632 4.350 0.012 0.000 0.252 808 T C 1.680 176.437 174.700 0.095 0.000 1.099 808 T CA -0.136 62.049 62.100 0.142 0.000 1.063 808 T CB -0.397 68.644 68.868 0.288 0.000 0.948 808 T HN 0.257 8.497 8.240 -0.000 0.000 0.506 809 I N 2.035 122.617 120.570 0.021 0.000 2.069 809 I HA -0.136 4.041 4.170 0.012 0.000 0.237 809 I C 2.550 178.651 176.117 -0.028 0.000 1.053 809 I CA 1.298 62.593 61.300 -0.009 0.000 1.311 809 I CB -1.076 36.838 38.000 -0.144 0.000 1.030 809 I HN 0.217 8.427 8.210 -0.000 0.000 0.398 810 I N 1.031 121.559 120.570 -0.070 0.000 2.179 810 I HA -0.175 4.003 4.170 0.012 0.000 0.242 810 I C -0.005 176.068 176.117 -0.074 0.000 1.088 810 I CA 1.853 63.099 61.300 -0.091 0.000 1.357 810 I CB -2.631 35.294 38.000 -0.124 0.000 1.051 810 I HN 0.130 8.340 8.210 -0.000 0.000 0.409 811 P HA -0.149 4.271 4.420 -0.000 0.000 0.216 811 P C 1.757 179.060 177.300 0.005 0.000 1.153 811 P CA 1.670 64.762 63.100 -0.013 0.000 0.858 811 P CB -0.119 31.587 31.700 0.010 0.000 0.789 812 R N -1.446 119.062 120.500 0.013 0.000 2.119 812 R HA 0.001 4.349 4.340 0.012 0.000 0.222 812 R C 2.161 178.444 176.300 -0.028 0.000 1.088 812 R CA 0.548 56.654 56.100 0.010 0.000 0.984 812 R CB -0.940 29.385 30.300 0.042 0.000 0.884 812 R HN 0.142 8.412 8.270 -0.000 0.000 0.447 813 L N 0.721 121.920 121.223 -0.039 0.000 2.056 813 L HA -0.076 4.272 4.340 0.012 0.000 0.207 813 L C 2.167 178.980 176.870 -0.095 0.000 1.078 813 L CA 1.595 56.397 54.840 -0.064 0.000 0.749 813 L CB -0.298 41.724 42.059 -0.062 0.000 0.901 813 L HN 0.137 8.367 8.230 -0.000 0.000 0.433 814 M N -1.098 118.443 119.600 -0.099 0.000 2.149 814 M HA -0.264 4.223 4.480 0.012 0.000 0.261 814 M C 2.112 178.267 176.300 -0.240 0.000 1.064 814 M CA 1.993 57.217 55.300 -0.127 0.000 1.102 814 M CB -0.152 32.413 32.600 -0.059 0.000 1.369 814 M HN 0.346 8.636 8.290 -0.000 0.000 0.408 815 I N -0.024 120.433 120.570 -0.188 0.000 2.133 815 I HA -0.243 3.934 4.170 0.012 0.000 0.238 815 I C 2.585 178.559 176.117 -0.237 0.000 1.074 815 I CA 1.300 62.437 61.300 -0.272 0.000 1.342 815 I CB -0.772 37.178 38.000 -0.084 0.000 1.053 815 I HN 0.321 8.531 8.210 -0.000 0.000 0.404 816 A N 0.280 123.017 122.820 -0.138 0.000 2.042 816 A HA -0.226 4.101 4.320 0.012 0.000 0.222 816 A C 2.095 179.613 177.584 -0.110 0.000 1.167 816 A CA 1.872 53.846 52.037 -0.105 0.000 0.649 816 A CB -0.387 18.566 19.000 -0.078 0.000 0.809 816 A HN 0.426 8.576 8.150 -0.000 0.000 0.457 817 M N -0.412 119.104 119.600 -0.140 0.000 2.346 817 M HA 0.035 4.522 4.480 0.012 0.000 0.280 817 M C 1.809 178.018 176.300 -0.152 0.000 1.075 817 M CA 0.537 55.773 55.300 -0.107 0.000 0.989 817 M CB -0.267 32.285 32.600 -0.081 0.000 1.447 817 M HN 0.785 9.075 8.290 -0.000 0.000 0.511 818 Q N -0.419 119.206 119.800 -0.291 0.000 2.242 818 Q HA -0.253 4.095 4.340 0.012 0.000 0.211 818 Q C 1.621 177.515 176.000 -0.177 0.000 0.992 818 Q CA 2.534 58.092 55.803 -0.409 0.000 0.889 818 Q CB -1.368 26.893 28.738 -0.795 0.000 0.913 818 Q HN 0.712 8.982 8.270 -0.000 0.000 0.422 819 H N 0.929 119.931 119.070 -0.113 0.000 2.524 819 H HA 0.102 4.666 4.556 0.012 0.000 0.282 819 H C 1.542 176.864 175.328 -0.010 0.000 1.016 819 H CA 1.195 57.215 56.048 -0.047 0.000 1.270 819 H CB -0.193 29.547 29.762 -0.036 0.000 1.394 819 H HN 0.560 8.840 8.280 -0.000 0.000 0.568 820 Q N -0.370 119.431 119.800 0.001 0.000 2.247 820 Q HA 0.266 4.613 4.340 0.012 0.000 0.211 820 Q C 0.022 176.055 176.000 0.055 0.000 0.861 820 Q CA -0.183 55.648 55.803 0.046 0.000 0.949 820 Q CB 0.890 29.689 28.738 0.101 0.000 1.115 820 Q HN 0.662 8.932 8.270 -0.000 0.000 0.507 821 I N 1.285 121.875 120.570 0.032 0.000 2.710 821 I HA -0.093 4.084 4.170 0.012 0.000 0.286 821 I C 1.875 178.034 176.117 0.070 0.000 1.181 821 I CA -0.204 61.127 61.300 0.052 0.000 1.430 821 I CB 0.270 38.300 38.000 0.050 0.000 1.367 821 I HN 0.075 8.285 8.210 -0.000 0.000 0.577 822 L N 4.871 126.146 121.223 0.087 0.000 1.829 822 L HA -0.010 4.338 4.340 0.012 0.000 0.232 822 L C 1.456 178.371 176.870 0.076 0.000 1.087 822 L CA 1.879 56.769 54.840 0.083 0.000 0.988 822 L CB -1.282 40.836 42.059 0.097 0.000 0.943 822 L HN 0.815 9.045 8.230 -0.000 0.000 0.499 823 D N -1.200 119.250 120.400 0.083 0.000 2.736 823 D HA 0.608 5.255 4.640 0.012 0.000 0.293 823 D C 1.020 177.375 176.300 0.092 0.000 1.241 823 D CA 0.834 54.878 54.000 0.073 0.000 0.965 823 D CB -0.419 40.415 40.800 0.057 0.000 0.992 823 D HN 1.934 10.305 8.370 -0.000 0.000 0.510 824 R N -1.307 119.257 120.500 0.107 0.000 3.741 824 R HA -0.050 4.298 4.340 0.012 0.000 0.292 824 R C 1.226 177.626 176.300 0.167 0.000 1.176 824 R CA 2.001 58.182 56.100 0.136 0.000 0.794 824 R CB -2.917 27.460 30.300 0.128 0.000 1.213 824 R HN 2.154 10.424 8.270 -0.000 0.000 0.494 825 M N 1.335 121.040 119.600 0.175 0.000 3.042 825 M HA 0.539 5.026 4.480 0.012 0.000 0.283 825 M C 0.651 177.158 176.300 0.345 0.000 1.473 825 M CA 0.742 56.196 55.300 0.258 0.000 1.583 825 M CB -0.986 31.749 32.600 0.225 0.000 1.221 825 M HN 1.228 9.518 8.290 -0.000 0.000 0.518 826 Q N 1.321 121.349 119.800 0.381 0.000 2.320 826 Q HA 0.827 5.174 4.340 0.012 0.000 0.272 826 Q C -1.304 174.915 176.000 0.364 0.000 1.023 826 Q CA -0.929 55.005 55.803 0.219 0.000 0.855 826 Q CB 1.216 30.012 28.738 0.097 0.000 1.367 826 Q HN 1.005 9.275 8.270 -0.000 0.000 0.406 827 W N 0.406 121.705 121.300 -0.002 0.000 3.042 827 W HA 0.560 5.228 4.660 0.014 0.000 0.342 827 W C 0.512 176.963 176.519 -0.113 0.000 1.240 827 W CA -1.311 56.007 57.345 -0.044 0.000 1.166 827 W CB 1.157 30.610 29.460 -0.012 0.000 1.469 827 W HN 0.722 8.902 8.180 -0.000 0.000 0.579 828 R N -0.233 120.218 120.500 -0.081 0.000 2.174 828 R HA -0.222 4.126 4.340 0.012 0.000 0.253 828 R C 0.693 176.640 176.300 -0.587 0.000 1.165 828 R CA 2.401 58.246 56.100 -0.425 0.000 0.984 828 R CB -0.439 29.473 30.300 -0.646 0.000 0.873 828 R HN 0.694 8.964 8.270 -0.000 0.000 0.456 829 Y N -1.589 118.643 120.300 -0.114 0.000 2.584 829 Y HA 0.447 5.004 4.550 0.012 0.000 0.254 829 Y C 0.689 176.268 175.900 -0.535 0.000 1.177 829 Y CA -0.252 57.748 58.100 -0.166 0.000 1.216 829 Y CB 1.526 40.073 38.460 0.146 0.000 1.172 829 Y HN 0.236 8.516 8.280 -0.000 0.000 0.529 830 G N 0.745 108.846 108.800 -1.165 0.000 2.320 830 G HA2 0.489 4.456 3.960 0.012 0.000 0.296 830 G HA3 0.489 4.456 3.960 0.012 0.000 0.296 830 G C -1.645 172.343 174.900 -1.521 0.000 1.306 830 G CA -0.790 43.555 45.100 -1.258 0.000 0.836 830 G HN -0.013 8.277 8.290 -0.000 0.000 0.517 831 M N -1.245 117.796 119.600 -0.932 0.000 2.603 831 M HA 0.771 5.259 4.480 0.012 0.000 0.275 831 M C -1.818 174.411 176.300 -0.118 0.000 1.226 831 M CA -1.002 54.028 55.300 -0.450 0.000 0.870 831 M CB 1.932 34.385 32.600 -0.245 0.000 1.716 831 M HN 0.540 8.830 8.290 -0.000 0.000 0.482 832 V N 2.850 122.803 119.914 0.065 0.000 2.417 832 V HA 0.590 4.718 4.120 0.012 0.000 0.291 832 V C -0.572 175.580 176.094 0.097 0.000 1.024 832 V CA -0.534 61.841 62.300 0.125 0.000 0.861 832 V CB 1.569 33.507 31.823 0.191 0.000 0.985 832 V HN 0.728 8.918 8.190 -0.000 0.000 0.436 833 L N 4.787 126.080 121.223 0.116 0.000 2.356 833 L HA 0.816 5.163 4.340 0.012 0.000 0.277 833 L C 0.080 177.095 176.870 0.242 0.000 0.996 833 L CA -0.459 54.479 54.840 0.164 0.000 0.822 833 L CB 1.607 43.756 42.059 0.150 0.000 1.256 833 L HN 0.703 8.933 8.230 -0.000 0.000 0.413 834 K N 1.101 121.602 120.400 0.168 0.000 2.426 834 K HA 0.735 5.062 4.320 0.012 0.000 0.254 834 K C -0.437 176.176 176.600 0.021 0.000 0.936 834 K CA -0.608 55.731 56.287 0.087 0.000 0.801 834 K CB 1.864 34.396 32.500 0.054 0.000 1.139 834 K HN 0.655 8.905 8.250 -0.000 0.000 0.424 835 S N 0.755 116.380 115.700 -0.126 0.000 2.596 835 S HA 0.256 4.734 4.470 0.012 0.000 0.318 835 S C 0.802 175.311 174.600 -0.151 0.000 1.097 835 S CA -0.473 57.636 58.200 -0.151 0.000 1.080 835 S CB 1.743 64.790 63.200 -0.254 0.000 0.991 835 S HN 0.495 8.805 8.310 -0.000 0.000 0.471 836 Q N 2.053 121.797 119.800 -0.095 0.000 2.170 836 Q HA -0.136 4.211 4.340 0.012 0.000 0.203 836 Q C 1.543 177.473 176.000 -0.117 0.000 0.976 836 Q CA 1.920 57.673 55.803 -0.083 0.000 0.858 836 Q CB -0.833 27.871 28.738 -0.057 0.000 0.907 836 Q HN 0.963 9.233 8.270 -0.000 0.000 0.433 837 D N -0.088 120.213 120.400 -0.165 0.000 2.228 837 D HA -0.139 4.508 4.640 0.012 0.000 0.203 837 D C 0.255 176.318 176.300 -0.395 0.000 0.988 837 D CA 1.027 54.870 54.000 -0.261 0.000 0.864 837 D CB -0.145 40.478 40.800 -0.293 0.000 0.928 837 D HN 0.640 9.010 8.370 -0.000 0.000 0.469 838 H N -1.383 117.576 119.070 -0.185 0.000 2.375 838 H HA 0.405 4.968 4.556 0.012 0.000 0.230 838 H C 0.776 176.011 175.328 -0.155 0.000 1.511 838 H CA 0.484 56.417 56.048 -0.192 0.000 1.215 838 H CB 0.033 29.599 29.762 -0.326 0.000 1.580 838 H HN 0.070 8.350 8.280 -0.000 0.000 0.537 839 E N 1.093 121.282 120.200 -0.019 0.000 3.049 839 E HA -0.282 4.075 4.350 0.012 0.000 0.272 839 E C 1.274 177.859 176.600 -0.025 0.000 1.051 839 E CA 1.257 57.647 56.400 -0.018 0.000 0.813 839 E CB -2.479 27.223 29.700 0.003 0.000 1.409 839 E HN 1.202 9.562 8.360 -0.000 0.000 0.454 840 G N -2.602 106.170 108.800 -0.047 0.000 2.325 840 G HA2 0.293 4.260 3.960 0.012 0.000 0.248 840 G HA3 0.293 4.260 3.960 0.012 0.000 0.248 840 G C 0.487 175.364 174.900 -0.038 0.000 1.108 840 G CA 0.952 46.026 45.100 -0.043 0.000 0.881 840 G HN 2.153 10.443 8.290 -0.000 0.000 0.494 841 A N -0.604 122.167 122.820 -0.082 0.000 2.407 841 A HA 0.731 5.059 4.320 0.012 0.000 0.248 841 A C 0.173 177.764 177.584 0.013 0.000 1.082 841 A CA 0.185 52.192 52.037 -0.049 0.000 0.785 841 A CB 1.019 19.955 19.000 -0.107 0.000 1.020 841 A HN 1.548 9.698 8.150 -0.000 0.000 0.489 842 L N 2.063 123.343 121.223 0.095 0.000 2.342 842 L HA 0.674 5.022 4.340 0.012 0.000 0.276 842 L C 0.115 177.092 176.870 0.179 0.000 0.997 842 L CA 0.237 55.160 54.840 0.137 0.000 0.838 842 L CB 1.247 43.359 42.059 0.089 0.000 1.224 842 L HN 0.835 9.065 8.230 -0.000 0.000 0.416 843 A N 4.829 127.794 122.820 0.242 0.000 2.337 843 A HA 0.712 5.040 4.320 0.012 0.000 0.329 843 A C -0.868 176.769 177.584 0.089 0.000 1.146 843 A CA -0.699 51.421 52.037 0.138 0.000 0.800 843 A CB 1.071 20.088 19.000 0.029 0.000 1.220 843 A HN 0.604 8.754 8.150 -0.000 0.000 0.472 844 K N 2.088 122.526 120.400 0.064 0.000 2.413 844 K HA 0.578 4.905 4.320 0.012 0.000 0.257 844 K C -1.744 174.871 176.600 0.025 0.000 0.946 844 K CA -0.387 55.948 56.287 0.079 0.000 0.823 844 K CB 1.563 34.147 32.500 0.140 0.000 1.109 844 K HN 0.425 8.675 8.250 -0.000 0.000 0.427 845 V N 5.150 125.044 119.914 -0.032 0.000 2.328 845 V HA 0.317 4.444 4.120 0.012 0.000 0.278 845 V C -0.495 175.543 176.094 -0.093 0.000 1.021 845 V CA -0.769 61.493 62.300 -0.064 0.000 0.838 845 V CB 1.301 33.065 31.823 -0.098 0.000 0.999 845 V HN 0.555 8.745 8.190 -0.000 0.000 0.447 846 V N 4.791 124.699 119.914 -0.009 0.000 2.715 846 V HA 0.951 5.078 4.120 0.012 0.000 0.310 846 V C -0.072 176.034 176.094 0.019 0.000 1.054 846 V CA -0.315 62.010 62.300 0.042 0.000 0.928 846 V CB 2.194 34.136 31.823 0.199 0.000 1.007 846 V HN 0.965 9.155 8.190 -0.000 0.000 0.437 847 A N 4.132 126.975 122.820 0.039 0.000 2.319 847 A HA 0.786 5.113 4.320 0.012 0.000 0.310 847 A C -0.810 176.749 177.584 -0.042 0.000 1.152 847 A CA -0.542 51.493 52.037 -0.002 0.000 0.783 847 A CB 1.335 20.335 19.000 0.001 0.000 1.184 847 A HN 0.844 8.994 8.150 -0.000 0.000 0.474 848 E N 1.905 122.052 120.200 -0.088 0.000 2.073 848 E HA 0.433 4.790 4.350 0.012 0.000 0.269 848 E C 0.714 177.213 176.600 -0.168 0.000 0.917 848 E CA -0.173 56.138 56.400 -0.148 0.000 0.757 848 E CB 0.836 30.477 29.700 -0.099 0.000 1.111 848 E HN 0.576 8.936 8.360 -0.000 0.000 0.410 849 T N 3.130 117.540 114.554 -0.239 0.000 2.746 849 T HA -0.170 4.187 4.350 0.012 0.000 0.267 849 T C 2.004 176.617 174.700 -0.146 0.000 1.039 849 T CA 1.909 63.895 62.100 -0.191 0.000 1.142 849 T CB -0.171 68.575 68.868 -0.204 0.000 0.866 849 T HN 0.528 8.768 8.240 -0.000 0.000 0.444 850 K N 1.578 121.893 120.400 -0.141 0.000 2.360 850 K HA -0.125 4.202 4.320 0.012 0.000 0.201 850 K C 1.543 178.097 176.600 -0.076 0.000 1.046 850 K CA 1.638 57.864 56.287 -0.101 0.000 0.940 850 K CB -0.463 31.980 32.500 -0.096 0.000 0.748 850 K HN 0.439 8.689 8.250 -0.000 0.000 0.465 851 D N -1.169 119.184 120.400 -0.080 0.000 2.469 851 D HA 0.118 4.765 4.640 0.012 0.000 0.213 851 D C -0.450 175.828 176.300 -0.037 0.000 1.135 851 D CA 0.535 54.501 54.000 -0.057 0.000 0.834 851 D CB 0.556 41.318 40.800 -0.063 0.000 1.009 851 D HN 0.214 8.584 8.370 -0.000 0.000 0.507 852 S N 0.456 116.117 115.700 -0.065 0.000 3.524 852 S HA -0.158 4.319 4.470 0.012 0.000 0.377 852 S C 0.118 174.723 174.600 0.009 0.000 0.949 852 S CA 0.678 58.834 58.200 -0.073 0.000 1.264 852 S CB -1.571 61.611 63.200 -0.031 0.000 0.918 852 S HN 0.244 8.554 8.310 -0.000 0.000 0.517 853 T N 1.904 116.443 114.554 -0.025 0.000 2.886 853 T HA 0.641 4.998 4.350 0.012 0.000 0.292 853 T C -0.459 174.247 174.700 0.009 0.000 1.012 853 T CA -0.640 61.483 62.100 0.038 0.000 0.982 853 T CB 0.729 69.594 68.868 -0.004 0.000 1.018 853 T HN 0.279 8.519 8.240 -0.000 0.000 0.451 854 I N 3.824 124.438 120.570 0.074 0.000 2.389 854 I HA 0.347 4.525 4.170 0.012 0.000 0.288 854 I C 0.262 176.393 176.117 0.023 0.000 0.999 854 I CA -0.578 60.745 61.300 0.039 0.000 1.129 854 I CB 1.673 39.724 38.000 0.085 0.000 1.288 854 I HN 0.531 8.741 8.210 -0.000 0.000 0.444 855 T N 7.226 121.784 114.554 0.007 0.000 2.824 855 T HA 0.651 5.009 4.350 0.012 0.000 0.280 855 T C 0.102 174.809 174.700 0.013 0.000 0.995 855 T CA -0.335 61.766 62.100 0.002 0.000 1.009 855 T CB 1.661 70.530 68.868 0.002 0.000 0.955 855 T HN 0.299 8.539 8.240 -0.000 0.000 0.452 856 I N 2.524 123.106 120.570 0.021 0.000 2.411 856 I HA 0.588 4.766 4.170 0.012 0.000 0.284 856 I C 0.061 176.189 176.117 0.017 0.000 1.012 856 I CA -0.985 60.322 61.300 0.010 0.000 1.119 856 I CB 1.349 39.348 38.000 -0.002 0.000 1.261 856 I HN 0.624 8.834 8.210 -0.000 0.000 0.448 857 A N 8.075 130.907 122.820 0.020 0.000 2.317 857 A HA 0.934 5.262 4.320 0.012 0.000 0.327 857 A C -0.587 177.016 177.584 0.031 0.000 1.178 857 A CA -0.454 51.599 52.037 0.028 0.000 0.817 857 A CB 0.880 19.903 19.000 0.039 0.000 1.189 857 A HN 0.699 8.849 8.150 -0.000 0.000 0.489 858 I N 1.107 121.696 120.570 0.033 0.000 2.686 858 I HA 0.352 4.530 4.170 0.012 0.000 0.295 858 I C -0.397 175.752 176.117 0.054 0.000 1.114 858 I CA -0.516 60.819 61.300 0.058 0.000 1.038 858 I CB 2.313 40.350 38.000 0.061 0.000 1.238 858 I HN 0.701 8.911 8.210 -0.000 0.000 0.420 859 Q N 2.614 122.454 119.800 0.068 0.000 2.297 859 Q HA 0.837 5.185 4.340 0.012 0.000 0.268 859 Q C -0.111 175.915 176.000 0.043 0.000 1.045 859 Q CA -0.803 55.029 55.803 0.048 0.000 0.861 859 Q CB 2.775 31.540 28.738 0.046 0.000 1.344 859 Q HN 0.965 9.235 8.270 -0.000 0.000 0.452 860 G N -0.614 108.203 108.800 0.027 0.000 2.354 860 G HA2 0.229 4.196 3.960 0.012 0.000 0.582 860 G HA3 0.229 4.196 3.960 0.012 0.000 0.582 860 G C -0.976 173.932 174.900 0.013 0.000 1.316 860 G CA -0.576 44.535 45.100 0.018 0.000 0.995 860 G HN 0.718 9.008 8.290 -0.000 0.000 0.573 861 E N 0.217 120.423 120.200 0.011 0.000 2.436 861 E HA 0.497 4.855 4.350 0.012 0.000 0.262 861 E C -0.975 175.630 176.600 0.008 0.000 1.063 861 E CA 0.026 56.433 56.400 0.011 0.000 0.944 861 E CB -0.388 29.319 29.700 0.012 0.000 0.950 861 E HN 0.451 8.811 8.360 -0.000 0.000 0.444 862 P HA -0.095 4.325 4.420 -0.000 0.000 0.217 862 P C 1.860 179.161 177.300 0.002 0.000 1.151 862 P CA 2.179 65.283 63.100 0.007 0.000 0.828 862 P CB 0.169 31.876 31.700 0.012 0.000 0.788 863 R N -0.377 120.128 120.500 0.008 0.000 2.075 863 R HA -0.115 4.232 4.340 0.012 0.000 0.232 863 R C 2.292 178.591 176.300 -0.001 0.000 1.126 863 R CA 1.989 58.096 56.100 0.011 0.000 0.963 863 R CB -2.089 28.226 30.300 0.025 0.000 0.858 863 R HN 0.240 8.510 8.270 -0.000 0.000 0.435 864 C N 0.471 119.771 119.300 -0.001 0.000 2.413 864 C HA -0.090 4.378 4.460 0.012 0.000 0.278 864 C C 2.685 177.599 174.990 -0.127 0.000 1.224 864 C CA 1.342 60.334 59.018 -0.044 0.000 1.732 864 C CB -0.575 27.162 27.740 -0.004 0.000 2.050 864 C HN 0.705 8.935 8.230 -0.000 0.000 0.463 865 K N 0.145 120.516 120.400 -0.048 0.000 2.001 865 K HA -0.203 4.125 4.320 0.012 0.000 0.214 865 K C 2.314 178.879 176.600 -0.057 0.000 1.050 865 K CA 1.696 57.969 56.287 -0.024 0.000 0.934 865 K CB -0.321 32.174 32.500 -0.009 0.000 0.718 865 K HN 0.477 8.727 8.250 -0.000 0.000 0.443 866 R N 0.975 121.439 120.500 -0.061 0.000 2.080 866 R HA -0.177 4.171 4.340 0.012 0.000 0.236 866 R C 2.300 178.557 176.300 -0.072 0.000 1.137 866 R CA 1.883 57.943 56.100 -0.067 0.000 0.943 866 R CB -0.245 30.034 30.300 -0.034 0.000 0.846 866 R HN 0.327 8.597 8.270 -0.000 0.000 0.431 867 E N -0.713 119.433 120.200 -0.089 0.000 2.153 867 E HA -0.217 4.140 4.350 0.012 0.000 0.194 867 E C 1.674 178.192 176.600 -0.136 0.000 0.988 867 E CA 0.958 57.310 56.400 -0.080 0.000 0.811 867 E CB -0.109 29.589 29.700 -0.003 0.000 0.746 867 E HN 0.299 8.659 8.360 -0.000 0.000 0.466 868 Y N 1.134 121.131 120.300 -0.504 0.000 2.163 868 Y HA -0.168 4.389 4.550 0.011 0.000 0.288 868 Y C 2.145 177.969 175.900 -0.128 0.000 1.136 868 Y CA 0.909 58.792 58.100 -0.362 0.000 1.147 868 Y CB -0.658 37.601 38.460 -0.335 0.000 0.987 868 Y HN 0.055 8.335 8.280 -0.000 0.000 0.509 869 L N 0.420 121.577 121.223 -0.110 0.000 1.997 869 L HA -0.289 4.059 4.340 0.012 0.000 0.216 869 L C 2.539 179.372 176.870 -0.061 0.000 1.074 869 L CA 2.914 57.641 54.840 -0.188 0.000 0.763 869 L CB -1.353 40.541 42.059 -0.275 0.000 0.890 869 L HN 0.338 8.568 8.230 -0.000 0.000 0.434 870 S N -0.043 115.673 115.700 0.026 0.000 2.382 870 S HA -0.223 4.254 4.470 0.012 0.000 0.228 870 S C 2.009 176.690 174.600 0.136 0.000 1.027 870 S CA 1.415 59.700 58.200 0.143 0.000 0.991 870 S CB -1.398 61.851 63.200 0.082 0.000 0.823 870 S HN 0.688 8.998 8.310 -0.000 0.000 0.469 871 I N 0.307 120.943 120.570 0.110 0.000 2.353 871 I HA 0.005 4.183 4.170 0.012 0.000 0.248 871 I C 2.041 178.220 176.117 0.103 0.000 1.119 871 I CA 0.914 62.302 61.300 0.147 0.000 1.417 871 I CB -0.587 37.535 38.000 0.204 0.000 1.078 871 I HN 0.138 8.348 8.210 -0.000 0.000 0.421 872 I N -0.222 120.333 120.570 -0.025 0.000 2.252 872 I HA -0.189 3.988 4.170 0.012 0.000 0.245 872 I C 2.438 178.610 176.117 0.091 0.000 1.102 872 I CA 1.280 62.545 61.300 -0.058 0.000 1.385 872 I CB -1.869 36.002 38.000 -0.215 0.000 1.064 872 I HN 0.527 8.737 8.210 -0.000 0.000 0.414 873 W N 2.164 123.404 121.300 -0.100 0.000 2.318 873 W HA -0.306 4.364 4.660 0.016 0.000 0.313 873 W C 2.871 179.396 176.519 0.009 0.000 1.221 873 W CA 1.669 58.978 57.345 -0.061 0.000 1.266 873 W CB -1.301 28.064 29.460 -0.158 0.000 1.150 873 W HN 0.237 8.417 8.180 -0.000 0.000 0.496 874 Y N 1.776 122.092 120.300 0.027 0.000 2.070 874 Y HA -0.254 4.303 4.550 0.010 0.000 0.280 874 Y C 2.430 178.314 175.900 -0.027 0.000 1.148 874 Y CA 2.725 60.768 58.100 -0.096 0.000 1.125 874 Y CB -0.871 37.533 38.460 -0.094 0.000 0.975 874 Y HN -0.101 8.179 8.280 -0.000 0.000 0.492 875 E N 0.541 120.626 120.200 -0.192 0.000 2.097 875 E HA -0.237 4.121 4.350 0.012 0.000 0.196 875 E C 2.432 178.914 176.600 -0.197 0.000 1.000 875 E CA 1.831 58.065 56.400 -0.276 0.000 0.804 875 E CB -0.582 29.063 29.700 -0.092 0.000 0.740 875 E HN 0.620 8.980 8.360 -0.000 0.000 0.454 876 I N 1.266 121.807 120.570 -0.048 0.000 2.163 876 I HA -0.319 3.858 4.170 0.012 0.000 0.243 876 I C 2.861 178.991 176.117 0.021 0.000 1.085 876 I CA 2.138 63.462 61.300 0.040 0.000 1.347 876 I CB -0.617 37.476 38.000 0.155 0.000 1.044 876 I HN 0.105 8.315 8.210 -0.000 0.000 0.408 877 K N 1.221 121.607 120.400 -0.024 0.000 2.147 877 K HA -0.231 4.097 4.320 0.012 0.000 0.205 877 K C 2.052 178.572 176.600 -0.134 0.000 1.049 877 K CA 1.952 58.203 56.287 -0.059 0.000 0.936 877 K CB -0.797 31.640 32.500 -0.106 0.000 0.722 877 K HN 0.453 8.703 8.250 -0.000 0.000 0.446 878 K N 0.095 120.306 120.400 -0.315 0.000 2.097 878 K HA -0.046 4.281 4.320 0.012 0.000 0.205 878 K C 2.040 178.556 176.600 -0.140 0.000 1.050 878 K CA 1.258 57.354 56.287 -0.318 0.000 0.938 878 K CB -0.174 31.980 32.500 -0.576 0.000 0.718 878 K HN 0.313 8.563 8.250 -0.000 0.000 0.442 879 I N 1.878 122.402 120.570 -0.076 0.000 2.142 879 I HA -0.269 3.908 4.170 0.012 0.000 0.240 879 I C 1.797 178.015 176.117 0.168 0.000 1.078 879 I CA 1.581 62.905 61.300 0.040 0.000 1.343 879 I CB -1.531 36.524 38.000 0.091 0.000 1.046 879 I HN 0.344 8.554 8.210 -0.000 0.000 0.405 880 N N 1.120 119.931 118.700 0.185 0.000 2.132 880 N HA -0.209 4.538 4.740 0.012 0.000 0.191 880 N C 1.814 177.454 175.510 0.216 0.000 1.015 880 N CA 1.356 54.559 53.050 0.254 0.000 0.864 880 N CB -0.139 38.429 38.487 0.134 0.000 1.006 880 N HN 0.400 8.780 8.380 -0.000 0.000 0.430 881 A N 0.908 123.774 122.820 0.076 0.000 2.067 881 A HA -0.065 4.262 4.320 0.012 0.000 0.219 881 A C 1.697 179.261 177.584 -0.033 0.000 1.158 881 A CA 1.161 53.207 52.037 0.014 0.000 0.661 881 A CB -0.235 18.746 19.000 -0.032 0.000 0.801 881 A HN 0.254 8.404 8.150 -0.000 0.000 0.452 882 N N -1.104 117.550 118.700 -0.077 0.000 2.459 882 N HA 0.085 4.833 4.740 0.012 0.000 0.181 882 N C -0.348 174.954 175.510 -0.348 0.000 1.046 882 N CA 0.531 53.407 53.050 -0.291 0.000 0.904 882 N CB -0.169 38.054 38.487 -0.440 0.000 0.964 882 N HN 0.479 8.859 8.380 -0.000 0.000 0.444 883 F N -0.324 119.629 119.950 0.005 0.000 2.397 883 F HA 0.272 4.807 4.527 0.014 0.000 0.331 883 F C 1.838 177.596 175.800 -0.070 0.000 1.090 883 F CA -0.933 57.034 58.000 -0.055 0.000 1.065 883 F CB 0.935 39.850 39.000 -0.142 0.000 1.184 883 F HN -0.101 8.199 8.300 -0.000 0.000 0.499 884 T N -1.119 113.488 114.554 0.089 0.000 2.995 884 T HA -0.104 4.253 4.350 0.012 0.000 0.216 884 T C 0.799 175.519 174.700 0.033 0.000 1.000 884 T CA 0.603 62.721 62.100 0.030 0.000 2.118 884 T CB -0.523 68.347 68.868 0.003 0.000 1.401 884 T HN 0.465 8.705 8.240 -0.000 0.000 0.389 885 N N 1.391 120.101 118.700 0.016 0.000 3.111 885 N HA 0.341 5.088 4.740 0.012 0.000 0.302 885 N C -0.857 174.660 175.510 0.010 0.000 1.317 885 N CA -0.290 52.769 53.050 0.015 0.000 1.151 885 N CB -0.510 37.988 38.487 0.018 0.000 1.456 885 N HN 0.229 8.609 8.380 -0.000 0.000 0.547 886 L N 0.685 121.919 121.223 0.019 0.000 2.456 886 L HA 0.074 4.421 4.340 0.012 0.000 0.272 886 L C 0.121 176.975 176.870 -0.025 0.000 1.189 886 L CA 0.574 55.419 54.840 0.008 0.000 0.846 886 L CB 0.557 42.635 42.059 0.031 0.000 1.111 886 L HN 0.196 8.426 8.230 -0.000 0.000 0.475 887 D N 3.420 123.797 120.400 -0.039 0.000 2.420 887 D HA 0.340 4.988 4.640 0.012 0.000 0.255 887 D C -1.414 174.800 176.300 -0.144 0.000 1.185 887 D CA -0.237 53.724 54.000 -0.065 0.000 0.904 887 D CB 0.923 41.711 40.800 -0.021 0.000 1.102 887 D HN 0.148 8.518 8.370 -0.000 0.000 0.534 888 V N 4.278 124.059 119.914 -0.223 0.000 2.417 888 V HA 0.442 4.569 4.120 0.012 0.000 0.291 888 V C 0.259 176.228 176.094 -0.209 0.000 1.024 888 V CA -0.724 61.369 62.300 -0.344 0.000 0.861 888 V CB 1.745 33.248 31.823 -0.533 0.000 0.985 888 V HN 0.322 8.512 8.190 -0.000 0.000 0.436 889 K N 3.481 123.759 120.400 -0.203 0.000 2.221 889 K HA 0.591 4.918 4.320 0.012 0.000 0.258 889 K C -0.706 175.639 176.600 -0.426 0.000 0.944 889 K CA -0.617 55.495 56.287 -0.293 0.000 0.823 889 K CB 2.163 34.481 32.500 -0.304 0.000 1.113 889 K HN 0.688 8.938 8.250 -0.000 0.000 0.431 890 E N 2.407 122.290 120.200 -0.529 0.000 2.166 890 E HA 0.345 4.703 4.350 0.012 0.000 0.275 890 E C -0.995 175.109 176.600 -0.826 0.000 0.941 890 E CA -0.448 55.565 56.400 -0.644 0.000 0.784 890 E CB 1.106 30.503 29.700 -0.505 0.000 1.115 890 E HN 0.263 8.623 8.360 -0.000 0.000 0.399 891 F N 1.659 121.272 119.950 -0.560 0.000 2.618 891 F HA 0.618 5.152 4.527 0.013 0.000 0.332 891 F C -0.169 175.358 175.800 -0.456 0.000 1.061 891 F CA -0.978 56.791 58.000 -0.386 0.000 0.974 891 F CB 1.383 40.220 39.000 -0.272 0.000 1.310 891 F HN 0.230 8.530 8.300 -0.000 0.000 0.491 892 I N 2.792 123.345 120.570 -0.027 0.000 2.548 892 I HA 0.284 4.461 4.170 0.012 0.000 0.287 892 I C -2.543 173.533 176.117 -0.068 0.000 1.103 892 I CA -2.069 59.194 61.300 -0.062 0.000 1.049 892 I CB 2.463 40.450 38.000 -0.022 0.000 1.232 892 I HN 0.199 8.409 8.210 -0.000 0.000 0.429 893 P HA 0.066 4.486 4.420 -0.000 0.000 0.269 893 P C -0.733 176.504 177.300 -0.104 0.000 1.209 893 P CA -0.376 62.678 63.100 -0.078 0.000 0.776 893 P CB 0.928 32.601 31.700 -0.045 0.000 0.876 894 L N 5.432 126.570 121.223 -0.141 0.000 2.380 894 L HA 0.310 4.658 4.340 0.012 0.000 0.273 894 L C -1.981 174.871 176.870 -0.031 0.000 1.138 894 L CA -1.827 52.860 54.840 -0.255 0.000 0.832 894 L CB -0.440 41.351 42.059 -0.447 0.000 1.124 894 L HN 0.258 8.488 8.230 -0.000 0.000 0.454 895 P HA 0.188 4.608 4.420 -0.000 0.000 0.262 895 P C 0.646 178.103 177.300 0.261 0.000 1.199 895 P CA 0.780 63.978 63.100 0.164 0.000 0.763 895 P CB 0.517 32.354 31.700 0.228 0.000 0.790 896 G N 2.537 111.396 108.800 0.098 0.000 2.195 896 G HA2 -0.203 3.765 3.960 0.012 0.000 0.246 896 G HA3 -0.203 3.765 3.960 0.012 0.000 0.246 896 G C 0.180 174.869 174.900 -0.351 0.000 0.984 896 G CA -0.332 44.721 45.100 -0.078 0.000 0.633 896 G HN 0.715 9.005 8.290 -0.000 0.000 0.525 897 H N -0.275 118.829 119.070 0.057 0.000 2.429 897 H HA 0.250 4.813 4.556 0.012 0.000 0.231 897 H C -2.016 173.304 175.328 -0.013 0.000 1.416 897 H CA -0.958 55.108 56.048 0.030 0.000 1.443 897 H CB 1.540 31.333 29.762 0.052 0.000 1.591 897 H HN 0.136 8.416 8.280 -0.000 0.000 0.507 898 P HA -0.183 4.237 4.420 -0.000 0.000 0.217 898 P C 0.508 177.804 177.300 -0.007 0.000 1.148 898 P CA 1.557 64.663 63.100 0.009 0.000 0.834 898 P CB 0.353 32.050 31.700 -0.004 0.000 0.783 899 D N -2.029 118.375 120.400 0.006 0.000 2.346 899 D HA -0.027 4.621 4.640 0.012 0.000 0.206 899 D C 0.323 176.593 176.300 -0.051 0.000 1.001 899 D CA 0.429 54.412 54.000 -0.027 0.000 0.871 899 D CB -0.282 40.508 40.800 -0.016 0.000 0.943 899 D HN 0.174 8.544 8.370 -0.000 0.000 0.518 900 E N 1.167 121.354 120.200 -0.021 0.000 2.229 900 E HA 0.313 4.670 4.350 0.012 0.000 0.283 900 E C -0.165 176.371 176.600 -0.106 0.000 1.030 900 E CA -0.106 56.258 56.400 -0.060 0.000 0.836 900 E CB 1.666 31.338 29.700 -0.045 0.000 1.068 900 E HN 0.259 8.619 8.360 -0.000 0.000 0.401 901 L N 2.047 123.182 121.223 -0.147 0.000 2.362 901 L HA 0.529 4.876 4.340 0.012 0.000 0.271 901 L C -0.178 176.653 176.870 -0.066 0.000 1.002 901 L CA -1.197 53.549 54.840 -0.158 0.000 0.818 901 L CB 2.063 43.916 42.059 -0.344 0.000 1.298 901 L HN 0.196 8.426 8.230 -0.000 0.000 0.420 902 V N 2.090 121.983 119.914 -0.035 0.000 2.628 902 V HA 0.359 4.487 4.120 0.012 0.000 0.306 902 V C -0.347 175.823 176.094 0.126 0.000 1.045 902 V CA -0.411 61.850 62.300 -0.065 0.000 0.905 902 V CB 2.171 33.660 31.823 -0.556 0.000 0.997 902 V HN 0.884 9.074 8.190 -0.000 0.000 0.436 903 E N 3.833 124.078 120.200 0.077 0.000 2.316 903 E HA 0.113 4.470 4.350 0.012 0.000 0.275 903 E C 0.203 176.721 176.600 -0.136 0.000 1.029 903 E CA -0.150 56.133 56.400 -0.194 0.000 0.871 903 E CB 0.818 30.371 29.700 -0.244 0.000 1.022 903 E HN 0.737 9.097 8.360 -0.000 0.000 0.418 904 Y N 4.508 124.636 120.300 -0.287 0.000 2.207 904 Y HA -0.261 4.296 4.550 0.012 0.000 0.287 904 Y C 2.038 177.883 175.900 -0.092 0.000 1.156 904 Y CA 2.023 60.033 58.100 -0.150 0.000 1.182 904 Y CB -0.056 38.339 38.460 -0.108 0.000 0.979 904 Y HN 0.372 8.652 8.280 -0.000 0.000 0.521 905 K N 0.239 120.536 120.400 -0.172 0.000 2.152 905 K HA -0.184 4.143 4.320 0.012 0.000 0.206 905 K C 2.001 178.501 176.600 -0.166 0.000 1.048 905 K CA 1.469 57.639 56.287 -0.195 0.000 0.933 905 K CB -0.462 31.969 32.500 -0.115 0.000 0.721 905 K HN 0.526 8.776 8.250 -0.000 0.000 0.447 906 E N 0.414 120.540 120.200 -0.124 0.000 2.031 906 E HA -0.084 4.273 4.350 0.012 0.000 0.193 906 E C 2.121 178.682 176.600 -0.065 0.000 0.994 906 E CA 1.349 57.713 56.400 -0.059 0.000 0.800 906 E CB -0.204 29.490 29.700 -0.010 0.000 0.752 906 E HN 0.364 8.724 8.360 -0.000 0.000 0.447 907 L N 0.505 121.656 121.223 -0.120 0.000 1.989 907 L HA -0.230 4.118 4.340 0.012 0.000 0.211 907 L C 2.770 179.567 176.870 -0.123 0.000 1.071 907 L CA 1.048 55.826 54.840 -0.103 0.000 0.749 907 L CB -0.720 41.272 42.059 -0.113 0.000 0.890 907 L HN 0.144 8.374 8.230 -0.000 0.000 0.431 908 L N -0.067 121.009 121.223 -0.245 0.000 2.013 908 L HA -0.190 4.157 4.340 0.012 0.000 0.212 908 L C 2.709 179.510 176.870 -0.115 0.000 1.073 908 L CA 1.588 56.298 54.840 -0.217 0.000 0.753 908 L CB -1.301 40.557 42.059 -0.335 0.000 0.890 908 L HN 0.358 8.588 8.230 -0.000 0.000 0.432 909 G N -0.165 108.574 108.800 -0.102 0.000 2.450 909 G HA2 -0.202 3.765 3.960 0.012 0.000 0.220 909 G HA3 -0.202 3.765 3.960 0.012 0.000 0.220 909 G C 1.631 176.518 174.900 -0.022 0.000 1.130 909 G CA 0.571 45.640 45.100 -0.052 0.000 0.760 909 G HN 0.262 8.552 8.290 -0.000 0.000 0.557 910 L N -0.349 120.869 121.223 -0.010 0.000 2.240 910 L HA 0.069 4.417 4.340 0.012 0.000 0.211 910 L C 2.691 179.569 176.870 0.013 0.000 1.106 910 L CA 0.859 55.713 54.840 0.022 0.000 0.793 910 L CB -0.185 41.912 42.059 0.065 0.000 0.927 910 L HN 0.302 8.532 8.230 -0.000 0.000 0.446 911 E N 0.817 121.013 120.200 -0.005 0.000 2.072 911 E HA -0.223 4.134 4.350 0.012 0.000 0.190 911 E C 2.452 179.049 176.600 -0.005 0.000 0.982 911 E CA 1.402 57.800 56.400 -0.003 0.000 0.803 911 E CB 0.162 29.855 29.700 -0.012 0.000 0.755 911 E HN 0.386 8.746 8.360 -0.000 0.000 0.453 912 K N 0.624 121.015 120.400 -0.015 0.000 2.097 912 K HA -0.121 4.207 4.320 0.012 0.000 0.206 912 K C 1.843 178.440 176.600 -0.005 0.000 1.049 912 K CA 1.756 58.035 56.287 -0.012 0.000 0.933 912 K CB -0.841 31.647 32.500 -0.020 0.000 0.717 912 K HN 0.174 8.424 8.250 -0.000 0.000 0.442 913 M N -0.946 118.653 119.600 -0.002 0.000 2.374 913 M HA 0.074 4.561 4.480 0.012 0.000 0.264 913 M C 1.443 177.746 176.300 0.006 0.000 1.067 913 M CA 1.123 56.425 55.300 0.003 0.000 1.103 913 M CB 0.116 32.720 32.600 0.007 0.000 1.402 913 M HN 0.609 8.899 8.290 -0.000 0.000 0.444 914 G N 2.056 110.860 108.800 0.008 0.000 2.248 914 G HA2 -0.238 3.729 3.960 0.012 0.000 0.263 914 G HA3 -0.238 3.729 3.960 0.012 0.000 0.263 914 G C -0.312 174.598 174.900 0.016 0.000 1.082 914 G CA -0.195 44.911 45.100 0.011 0.000 0.863 914 G HN 0.441 8.731 8.290 -0.000 0.000 0.495 915 R N -0.744 119.770 120.500 0.023 0.000 2.562 915 R HA 0.483 4.831 4.340 0.012 0.000 0.298 915 R C 0.012 176.339 176.300 0.045 0.000 0.961 915 R CA -0.798 55.321 56.100 0.032 0.000 0.881 915 R CB 1.278 31.599 30.300 0.035 0.000 1.159 915 R HN 0.097 8.367 8.270 -0.000 0.000 0.450 916 D N 0.995 121.425 120.400 0.049 0.000 2.407 916 D HA 0.072 4.720 4.640 0.012 0.000 0.208 916 D C -0.298 176.057 176.300 0.091 0.000 1.083 916 D CA 0.326 54.364 54.000 0.063 0.000 0.844 916 D CB 0.692 41.522 40.800 0.050 0.000 0.967 916 D HN 0.221 8.591 8.370 -0.000 0.000 0.506 917 R N 0.541 121.093 120.500 0.086 0.000 2.254 917 R HA 0.216 4.564 4.340 0.012 0.000 0.318 917 R C -0.991 175.409 176.300 0.166 0.000 1.031 917 R CA -0.646 55.517 56.100 0.105 0.000 0.905 917 R CB 1.113 31.441 30.300 0.048 0.000 1.050 917 R HN 0.041 8.311 8.270 -0.000 0.000 0.456 918 Y N 3.551 123.924 120.300 0.121 0.000 2.385 918 Y HA 0.263 4.820 4.550 0.013 0.000 0.341 918 Y C -0.816 175.207 175.900 0.204 0.000 0.965 918 Y CA -0.713 57.472 58.100 0.141 0.000 1.180 918 Y CB 1.007 39.552 38.460 0.141 0.000 1.139 918 Y HN 0.224 8.504 8.280 -0.000 0.000 0.502 919 V N 6.040 125.685 119.914 -0.447 0.000 2.350 919 V HA 0.215 4.342 4.120 0.012 0.000 0.276 919 V C 0.034 175.870 176.094 -0.430 0.000 1.028 919 V CA -0.621 61.505 62.300 -0.289 0.000 0.860 919 V CB 1.183 32.904 31.823 -0.171 0.000 0.990 919 V HN 0.810 9.000 8.190 -0.000 0.000 0.453 920 S N 4.140 119.763 115.700 -0.128 0.000 2.400 920 S HA 0.369 4.847 4.470 0.012 0.000 0.295 920 S C 1.385 175.959 174.600 -0.043 0.000 1.113 920 S CA 0.048 58.225 58.200 -0.038 0.000 1.064 920 S CB 0.772 64.112 63.200 0.233 0.000 0.990 920 S HN 0.940 9.250 8.310 -0.000 0.000 0.502 921 G N 4.966 113.723 108.800 -0.071 0.000 2.404 921 G HA2 -0.204 3.764 3.960 0.012 0.000 0.215 921 G HA3 -0.204 3.764 3.960 0.012 0.000 0.215 921 G C 1.351 176.233 174.900 -0.030 0.000 1.174 921 G CA 1.017 46.086 45.100 -0.051 0.000 0.780 921 G HN 0.800 9.090 8.290 -0.000 0.000 0.537 922 K N -0.410 119.976 120.400 -0.023 0.000 2.217 922 K HA 0.155 4.482 4.320 0.012 0.000 0.202 922 K C 2.028 178.618 176.600 -0.017 0.000 1.051 922 K CA 0.752 57.030 56.287 -0.017 0.000 0.952 922 K CB -0.187 32.305 32.500 -0.013 0.000 0.736 922 K HN 0.209 8.459 8.250 -0.000 0.000 0.453 923 L N 1.381 122.590 121.223 -0.023 0.000 2.307 923 L HA 0.109 4.457 4.340 0.012 0.000 0.211 923 L C 0.065 176.924 176.870 -0.019 0.000 1.099 923 L CA 1.132 55.950 54.840 -0.037 0.000 0.816 923 L CB -0.661 41.333 42.059 -0.108 0.000 0.952 923 L HN 0.299 8.529 8.230 -0.000 0.000 0.455 924 E N -0.709 119.478 120.200 -0.022 0.000 2.416 924 E HA -0.227 4.130 4.350 0.012 0.000 0.249 924 E C 0.182 176.748 176.600 -0.057 0.000 1.124 924 E CA 0.768 57.147 56.400 -0.034 0.000 0.732 924 E CB -1.678 28.007 29.700 -0.024 0.000 1.286 924 E HN 0.473 8.833 8.360 -0.000 0.000 0.394 925 K N -0.275 120.078 120.400 -0.079 0.000 2.422 925 K HA 0.760 5.088 4.320 0.012 0.000 0.251 925 K C -0.433 175.966 176.600 -0.335 0.000 0.933 925 K CA -0.160 55.992 56.287 -0.225 0.000 0.798 925 K CB 1.756 34.088 32.500 -0.280 0.000 1.238 925 K HN 0.501 8.751 8.250 -0.000 0.000 0.428 926 V N -0.655 119.007 119.914 -0.420 0.000 2.834 926 V HA 0.982 5.109 4.120 0.012 0.000 0.313 926 V C -0.777 174.980 176.094 -0.562 0.000 1.060 926 V CA -0.793 61.328 62.300 -0.298 0.000 0.989 926 V CB 0.790 32.545 31.823 -0.114 0.000 1.041 926 V HN 0.746 8.936 8.190 -0.000 0.000 0.459 927 F N 1.346 121.364 119.950 0.114 0.000 2.588 927 F HA 0.600 5.135 4.527 0.013 0.000 0.310 927 F C 0.431 176.305 175.800 0.124 0.000 1.082 927 F CA -0.640 57.443 58.000 0.138 0.000 0.929 927 F CB 2.180 41.303 39.000 0.204 0.000 1.254 927 F HN 0.636 8.936 8.300 -0.000 0.000 0.455 928 S N 1.305 117.168 115.700 0.272 0.000 2.455 928 S HA 0.259 4.737 4.470 0.012 0.000 0.278 928 S C 0.926 175.632 174.600 0.177 0.000 1.216 928 S CA -0.531 57.774 58.200 0.176 0.000 1.055 928 S CB 0.539 63.811 63.200 0.121 0.000 0.939 928 S HN 0.513 8.823 8.310 -0.000 0.000 0.494 929 V N 5.680 125.687 119.914 0.155 0.000 2.219 929 V HA -0.217 3.911 4.120 0.012 0.000 0.248 929 V C 2.703 178.844 176.094 0.078 0.000 1.053 929 V CA 2.590 64.957 62.300 0.112 0.000 1.009 929 V CB -1.330 30.552 31.823 0.097 0.000 0.636 929 V HN 1.036 9.226 8.190 -0.000 0.000 0.445 930 S N -0.095 115.648 115.700 0.071 0.000 2.359 930 S HA -0.272 4.206 4.470 0.012 0.000 0.224 930 S C 2.021 176.660 174.600 0.065 0.000 1.035 930 S CA 1.868 60.104 58.200 0.060 0.000 1.018 930 S CB -0.632 62.598 63.200 0.050 0.000 0.876 930 S HN 0.428 8.738 8.310 -0.000 0.000 0.448 931 K N 1.995 122.439 120.400 0.073 0.000 2.044 931 K HA -0.010 4.317 4.320 0.012 0.000 0.210 931 K C 2.409 179.053 176.600 0.073 0.000 1.049 931 K CA 1.716 58.047 56.287 0.073 0.000 0.927 931 K CB -1.045 31.504 32.500 0.083 0.000 0.713 931 K HN 0.903 9.153 8.250 -0.000 0.000 0.443 932 M N -1.193 118.454 119.600 0.079 0.000 2.419 932 M HA 0.138 4.625 4.480 0.012 0.000 0.264 932 M C 1.959 178.300 176.300 0.067 0.000 1.082 932 M CA 1.433 56.770 55.300 0.062 0.000 1.119 932 M CB -0.298 32.325 32.600 0.038 0.000 1.398 932 M HN 0.052 8.342 8.290 -0.000 0.000 0.453 933 L N 1.759 123.029 121.223 0.078 0.000 2.131 933 L HA -0.008 4.339 4.340 0.012 0.000 0.206 933 L C 1.387 178.320 176.870 0.104 0.000 1.087 933 L CA 1.855 56.762 54.840 0.112 0.000 0.767 933 L CB -0.636 41.477 42.059 0.090 0.000 0.917 933 L HN 0.238 8.468 8.230 -0.000 0.000 0.441 934 D N -1.556 118.888 120.400 0.074 0.000 2.363 934 D HA -0.061 4.586 4.640 0.012 0.000 0.220 934 D C 2.225 178.551 176.300 0.044 0.000 0.994 934 D CA 0.970 55.005 54.000 0.059 0.000 0.890 934 D CB 0.070 40.900 40.800 0.049 0.000 0.906 934 D HN 0.427 8.797 8.370 -0.000 0.000 0.530 935 S N -0.891 114.834 115.700 0.042 0.000 2.496 935 S HA -0.015 4.462 4.470 0.012 0.000 0.224 935 S C 1.801 176.398 174.600 -0.005 0.000 0.996 935 S CA 0.245 58.459 58.200 0.022 0.000 0.927 935 S CB 0.077 63.294 63.200 0.028 0.000 0.774 935 S HN 0.075 8.385 8.310 -0.000 0.000 0.524 936 V N 0.463 120.379 119.914 0.004 0.000 2.627 936 V HA 0.347 4.474 4.120 0.012 0.000 0.239 936 V C 1.708 177.774 176.094 -0.046 0.000 1.077 936 V CA 0.925 63.180 62.300 -0.075 0.000 1.103 936 V CB -0.220 31.555 31.823 -0.080 0.000 0.802 936 V HN 0.477 8.667 8.190 -0.000 0.000 0.482 937 I N -1.541 119.062 120.570 0.055 0.000 3.401 937 I HA 0.479 4.657 4.170 0.012 0.000 0.283 937 I C 0.294 176.453 176.117 0.070 0.000 0.784 937 I CA 0.583 61.929 61.300 0.077 0.000 2.690 937 I CB 0.794 38.881 38.000 0.145 0.000 1.558 937 I HN 0.380 8.590 8.210 -0.000 0.000 0.502 938 S N 0.000 115.753 115.700 0.088 0.000 2.498 938 S HA 0.000 4.477 4.470 0.012 0.000 0.327 938 S CA 0.000 58.238 58.200 0.064 0.000 1.107 938 S CB 0.000 63.227 63.200 0.044 0.000 0.593 938 S HN 0.000 8.310 8.310 -0.000 0.000 0.517