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 2wbf_1_X DATA FIRST_RESID 563 DATA SEQUENCE DNMFcNKEYc NRLKDENNcI SNLQVEDQGN cDTSWIFASK YHLETIRcMK DATA SEQUENCE GYEPTKISAL YVANcYKGEH KDRcDEGSSP MEFLQIIEDY GFLPAESNYP DATA SEQUENCE YNYVKVGEQc PKVEDHWMNL WDNGKILHNK NEPNSLDGKG YTAYESERFH DATA SEQUENCE DNMDAFVKII KTEVMNKGSV IAYIKAENVM GYEFSGKKVK NLcGDDTADH DATA SEQUENCE AVNIVGYGNY VNSEGEKKSY WIVRNSWGPY WGDEGYFKVD MYGPTHcHFN DATA SEQUENCE FIHSVVIFNV DLPMN 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 563 D HA 0.000 nan 4.640 nan 0.000 0.175 563 D C 0.000 176.396 176.300 0.160 0.000 2.045 563 D CA 0.000 54.109 54.000 0.181 0.000 0.868 563 D CB 0.000 nan 40.800 nan 0.000 0.688 564 N N 1.568 120.323 118.700 0.092 0.000 2.244 564 N HA -0.280 4.654 4.740 0.071 -0.151 0.183 564 N C 1.700 177.232 175.510 0.038 0.000 1.016 564 N CA 1.722 54.809 53.050 0.062 0.000 0.866 564 N CB -0.416 38.094 38.487 0.038 0.000 0.980 564 N HN 0.285 8.710 8.380 0.075 0.000 0.430 565 M N -5.676 113.909 119.600 -0.025 0.000 2.374 565 M HA -0.171 4.240 4.480 -0.115 0.000 0.264 565 M C 0.030 176.206 176.300 -0.207 0.000 1.067 565 M CA 2.132 57.329 55.300 -0.171 0.000 1.103 565 M CB -0.059 32.341 32.600 -0.334 0.000 1.402 565 M HN -0.241 8.041 8.290 -0.013 0.000 0.444 566 F N -3.577 116.414 119.950 0.069 0.000 2.714 566 F HA 0.037 4.669 4.527 0.176 0.000 0.294 566 F C -1.383 174.424 175.800 0.011 0.000 1.120 566 F CA 1.092 59.144 58.000 0.087 0.000 1.398 566 F CB 2.473 41.492 39.000 0.032 0.000 1.120 566 F HN -0.917 7.362 8.300 0.183 0.131 0.589 567 c N -0.296 118.391 118.600 0.145 0.000 2.892 567 c HA 0.558 5.212 4.570 -0.092 -0.139 0.360 567 c C -2.300 171.827 174.090 0.061 0.000 1.054 567 c CA -1.193 55.147 56.329 0.018 0.000 1.326 567 c CB -0.384 42.126 42.510 -0.001 0.000 1.806 567 c HN -0.517 7.692 8.230 0.147 0.110 0.490 568 N N 6.665 125.416 118.700 0.085 0.000 3.102 568 N HA 0.262 5.070 4.740 0.114 0.000 0.299 568 N C -0.522 175.121 175.510 0.223 0.000 1.482 568 N CA -1.072 52.056 53.050 0.129 0.000 0.785 568 N CB 1.324 39.873 38.487 0.102 0.000 1.680 568 N HN 0.020 8.438 8.380 0.064 0.000 0.594 569 K N -4.920 115.582 120.400 0.169 0.000 2.209 569 K HA -0.162 4.252 4.320 0.156 0.000 0.204 569 K C 1.308 178.023 176.600 0.192 0.000 1.048 569 K CA 2.516 58.894 56.287 0.153 0.000 0.940 569 K CB -0.892 31.648 32.500 0.067 0.000 0.729 569 K HN 0.243 8.566 8.250 0.122 0.000 0.451 570 E N -3.786 116.540 120.200 0.211 0.000 2.201 570 E HA -0.024 4.411 4.350 0.141 0.000 0.193 570 E C -1.521 175.268 176.600 0.316 0.000 0.957 570 E CA 0.845 57.364 56.400 0.197 0.000 0.858 570 E CB 1.970 31.743 29.700 0.122 0.000 0.816 570 E HN -0.270 8.443 8.360 0.187 -0.241 0.475 571 Y N -1.541 118.833 120.300 0.122 0.000 2.470 571 Y HA 0.335 4.982 4.550 -0.065 -0.136 0.341 571 Y C -2.883 172.866 175.900 -0.252 0.000 1.021 571 Y CA -1.339 56.730 58.100 -0.051 0.000 1.025 571 Y CB 2.994 41.431 38.460 -0.038 0.000 1.266 571 Y HN -0.628 8.073 8.280 0.300 -0.242 0.448 572 c N 9.277 127.141 118.600 -1.226 0.000 2.620 572 c HA 0.732 5.127 4.570 -0.630 -0.203 0.356 572 c C -2.406 171.119 174.090 -0.943 0.000 1.082 572 c CA -1.396 54.321 56.329 -1.021 0.000 1.293 572 c CB 1.837 43.608 42.510 -1.231 0.000 1.836 572 c HN 0.746 8.146 8.230 -1.384 0.000 0.453 573 N N 7.685 125.991 118.700 -0.656 0.000 2.621 573 N HA 0.346 4.881 4.740 -0.342 0.000 0.271 573 N C -0.025 175.415 175.510 -0.116 0.000 1.181 573 N CA -0.144 52.692 53.050 -0.356 0.000 0.805 573 N CB 1.634 39.942 38.487 -0.299 0.000 1.351 573 N HN 0.361 8.449 8.380 -0.486 0.000 0.539 574 R N 4.301 124.716 120.500 -0.142 0.000 2.275 574 R HA -0.065 4.182 4.340 -0.155 0.000 0.199 574 R C 1.980 178.167 176.300 -0.189 0.000 0.989 574 R CA 1.782 57.794 56.100 -0.146 0.000 1.016 574 R CB 0.047 30.282 30.300 -0.108 0.000 0.918 574 R HN 0.664 8.836 8.270 -0.163 0.000 0.473 575 L N -1.177 119.941 121.223 -0.173 0.000 2.275 575 L HA -0.244 4.000 4.340 -0.159 0.000 0.215 575 L C 0.821 177.599 176.870 -0.154 0.000 1.119 575 L CA 2.202 56.934 54.840 -0.180 0.000 0.790 575 L CB -0.673 41.225 42.059 -0.269 0.000 0.919 575 L HN -0.345 7.921 8.230 -0.180 -0.144 0.443 576 K N -4.081 116.245 120.400 -0.125 0.000 2.418 576 K HA -0.090 4.213 4.320 -0.028 0.000 0.195 576 K C -0.163 176.275 176.600 -0.270 0.000 1.035 576 K CA 0.884 57.139 56.287 -0.053 0.000 1.003 576 K CB 0.248 32.874 32.500 0.209 0.000 0.793 576 K HN -0.952 7.289 8.250 -0.100 -0.052 0.494 577 D N 0.500 120.523 120.400 -0.629 0.000 2.524 577 D HA 0.154 4.273 4.640 -0.868 0.000 0.222 577 D C -0.469 175.606 176.300 -0.375 0.000 1.142 577 D CA -1.517 51.964 54.000 -0.865 0.000 0.973 577 D CB -0.112 39.870 40.800 -1.365 0.000 1.025 577 D HN -0.705 7.188 8.370 -0.549 0.149 0.519 578 E N 4.235 124.305 120.200 -0.216 0.000 2.331 578 E HA -0.313 nan 4.350 nan 0.000 0.199 578 E C 0.417 176.957 176.600 -0.099 0.000 1.008 578 E CA 1.751 58.079 56.400 -0.121 0.000 0.843 578 E CB -0.619 nan 29.700 nan 0.000 0.761 578 E HN 0.281 8.528 8.360 -0.188 0.000 0.507 579 N N -0.650 117.980 118.700 -0.116 0.000 2.320 579 N HA 0.009 nan 4.740 nan 0.000 0.237 579 N C -1.213 174.248 175.510 -0.082 0.000 1.129 579 N CA -0.082 52.922 53.050 -0.076 0.000 0.854 579 N CB 0.346 nan 38.487 nan 0.000 1.083 579 N HN -0.168 8.231 8.380 -0.154 -0.112 0.504 580 N N -1.781 116.853 118.700 -0.110 0.000 2.381 580 N HA 0.176 4.875 4.740 -0.069 0.000 0.294 580 N C -0.736 174.734 175.510 -0.066 0.000 1.216 580 N CA -0.934 52.060 53.050 -0.092 0.000 0.803 580 N CB 3.044 41.453 38.487 -0.131 0.000 1.372 580 N HN -0.473 7.764 8.380 -0.131 0.064 0.500 581 c N -0.284 118.288 118.600 -0.047 0.000 2.432 581 c HA -0.252 4.305 4.570 -0.020 0.000 0.277 581 c C 1.674 175.750 174.090 -0.024 0.000 1.249 581 c CA 2.074 58.386 56.329 -0.028 0.000 1.725 581 c CB -0.913 41.585 42.510 -0.020 0.000 2.028 581 c HN 0.661 8.863 8.230 -0.046 0.000 0.477 582 I N -1.701 118.848 120.570 -0.035 0.000 2.394 582 I HA -0.330 3.828 4.170 -0.020 0.000 0.251 582 I C 1.464 177.596 176.117 0.026 0.000 1.136 582 I CA 2.877 64.169 61.300 -0.014 0.000 1.425 582 I CB -0.006 37.979 38.000 -0.025 0.000 1.079 582 I HN -0.065 8.117 8.210 -0.046 0.000 0.425 583 S N -0.476 115.211 115.700 -0.022 0.000 2.507 583 S HA -0.217 4.248 4.470 -0.007 0.000 0.235 583 S C 0.736 175.344 174.600 0.013 0.000 0.988 583 S CA 2.369 60.556 58.200 -0.022 0.000 0.944 583 S CB -0.540 62.608 63.200 -0.086 0.000 0.762 583 S HN -0.453 8.022 8.310 -0.053 -0.197 0.526 584 N N -0.430 118.280 118.700 0.017 0.000 2.336 584 N HA 0.072 4.826 4.740 0.024 0.000 0.189 584 N C -0.536 175.008 175.510 0.056 0.000 1.113 584 N CA 0.116 53.182 53.050 0.027 0.000 0.858 584 N CB 0.904 39.397 38.487 0.011 0.000 0.970 584 N HN -0.582 7.641 8.380 0.008 0.161 0.471 585 L N 2.318 123.598 121.223 0.094 0.000 2.356 585 L HA 0.055 4.460 4.340 0.109 0.000 0.282 585 L C -0.777 176.187 176.870 0.158 0.000 1.132 585 L CA -0.266 54.661 54.840 0.146 0.000 0.923 585 L CB -1.565 40.633 42.059 0.232 0.000 1.278 585 L HN -0.669 7.575 8.230 0.100 0.047 0.436 586 Q N 2.281 122.139 119.800 0.096 0.000 2.421 586 Q HA -0.027 4.360 4.340 0.078 0.000 0.255 586 Q C 0.097 176.111 176.000 0.023 0.000 1.013 586 Q CA -0.789 55.052 55.803 0.064 0.000 0.895 586 Q CB 0.643 29.404 28.738 0.038 0.000 1.271 586 Q HN -0.107 8.211 8.270 0.080 0.000 0.460 587 V N 2.221 122.113 119.914 -0.037 0.000 2.763 587 V HA -0.201 3.789 4.120 -0.217 0.000 0.306 587 V C -0.139 175.888 176.094 -0.112 0.000 1.059 587 V CA 1.599 63.807 62.300 -0.153 0.000 1.138 587 V CB -0.268 31.422 31.823 -0.221 0.000 0.940 587 V HN 0.442 8.623 8.190 -0.014 0.000 0.489 588 E N 7.089 127.192 120.200 -0.161 0.000 2.264 588 E HA 0.220 4.519 4.350 -0.084 0.000 0.260 588 E C -1.876 174.552 176.600 -0.287 0.000 0.961 588 E CA -1.683 54.621 56.400 -0.160 0.000 0.834 588 E CB 3.155 32.810 29.700 -0.075 0.000 1.230 588 E HN 0.282 8.510 8.360 -0.219 0.000 0.412 589 D N -0.188 120.048 120.400 -0.274 0.000 2.469 589 D HA 0.253 4.957 4.640 -0.225 -0.200 0.251 589 D C 0.078 176.167 176.300 -0.351 0.000 1.173 589 D CA -1.289 52.575 54.000 -0.227 0.000 0.882 589 D CB 0.796 41.578 40.800 -0.030 0.000 1.129 589 D HN 0.105 8.355 8.370 -0.200 0.000 0.549 590 Q N 5.433 124.888 119.800 -0.576 0.000 2.436 590 Q HA -0.225 3.635 4.340 -0.800 0.000 0.209 590 Q C 0.692 176.741 176.000 0.082 0.000 0.965 590 Q CA 0.922 56.419 55.803 -0.510 0.000 0.910 590 Q CB 0.469 28.891 28.738 -0.526 0.000 0.980 590 Q HN 0.455 8.408 8.270 -0.528 0.000 0.491 591 G N 2.186 110.959 108.800 -0.046 0.000 2.569 591 G HA2 -0.422 3.417 3.960 -0.201 0.000 0.259 591 G HA3 -0.422 3.369 3.960 -0.282 0.000 0.259 591 G C -1.075 173.573 174.900 -0.420 0.000 1.263 591 G CA 0.365 45.321 45.100 -0.241 0.000 0.928 591 G HN -0.059 8.433 8.290 -0.095 -0.259 0.572 592 N N 0.911 119.072 118.700 -0.899 0.000 2.558 592 N HA 0.284 4.790 4.740 -0.389 0.000 0.281 592 N C -0.819 174.596 175.510 -0.159 0.000 1.219 592 N CA -0.742 51.979 53.050 -0.549 0.000 0.942 592 N CB -1.070 37.040 38.487 -0.627 0.000 1.241 592 N HN 0.163 7.457 8.380 -1.810 0.000 0.511 593 c N -2.536 116.084 118.600 0.033 0.000 2.667 593 c HA 0.200 4.953 4.570 0.150 -0.094 0.323 593 c C -0.795 173.409 174.090 0.190 0.000 1.214 593 c CA -1.093 55.343 56.329 0.179 0.000 1.721 593 c CB 3.537 46.230 42.510 0.305 0.000 2.275 593 c HN -0.624 7.566 8.230 0.042 0.066 0.491 594 D N 2.016 122.545 120.400 0.215 0.000 2.741 594 D HA 0.142 4.928 4.640 0.243 0.000 0.233 594 D C -0.777 175.748 176.300 0.375 0.000 1.160 594 D CA -0.817 53.337 54.000 0.257 0.000 1.003 594 D CB -1.570 39.355 40.800 0.209 0.000 1.064 594 D HN 0.442 8.936 8.370 0.208 0.000 0.503 595 T N -0.654 114.099 114.554 0.333 0.000 3.174 595 T HA 0.224 4.713 4.350 0.230 0.000 0.269 595 T C 0.733 175.501 174.700 0.113 0.000 1.017 595 T CA -1.051 61.185 62.100 0.227 0.000 0.899 595 T CB 0.692 69.736 68.868 0.293 0.000 1.077 595 T HN -0.506 7.880 8.240 0.304 0.036 0.552 596 S N 3.375 119.183 115.700 0.180 0.000 2.399 596 S HA -0.197 4.290 4.470 0.029 0.000 0.231 596 S C 1.314 175.857 174.600 -0.094 0.000 1.022 596 S CA 2.991 61.179 58.200 -0.020 0.000 0.983 596 S CB -0.612 62.371 63.200 -0.361 0.000 0.803 596 S HN -0.013 8.450 8.310 0.255 0.000 0.480 597 W N -0.855 120.414 121.300 -0.052 0.000 2.350 597 W HA -0.178 4.387 4.660 -0.159 0.000 0.289 597 W C 1.024 177.500 176.519 -0.071 0.000 1.215 597 W CA 1.368 58.677 57.345 -0.061 0.000 1.236 597 W CB -1.354 28.145 29.460 0.066 0.000 1.130 597 W HN -0.188 8.219 8.180 0.403 0.014 0.541 598 I N 0.751 120.781 120.570 -0.900 0.000 2.277 598 I HA -0.501 3.229 4.170 -0.734 0.000 0.243 598 I C 1.844 177.598 176.117 -0.606 0.000 1.094 598 I CA 3.353 64.124 61.300 -0.881 0.000 1.393 598 I CB -0.238 37.106 38.000 -1.094 0.000 1.078 598 I HN -0.626 6.780 8.210 -1.155 0.111 0.417 599 F N -0.493 119.208 119.950 -0.414 0.000 2.134 599 F HA -0.441 3.915 4.527 -0.285 0.000 0.299 599 F C 2.086 177.708 175.800 -0.298 0.000 1.097 599 F CA 4.496 62.298 58.000 -0.331 0.000 1.264 599 F CB -0.781 38.013 39.000 -0.344 0.000 1.001 599 F HN -0.809 7.361 8.300 -0.216 0.000 0.479 600 A N -1.665 121.042 122.820 -0.188 0.000 1.897 600 A HA -0.093 4.322 4.320 -0.194 -0.211 0.215 600 A C 2.117 179.536 177.584 -0.274 0.000 1.181 600 A CA 2.506 54.397 52.037 -0.244 0.000 0.620 600 A CB -0.678 18.101 19.000 -0.368 0.000 0.821 600 A HN 0.172 8.198 8.150 -0.206 0.000 0.443 601 S N -1.188 114.263 115.700 -0.414 0.000 2.368 601 S HA -0.378 3.763 4.470 -0.548 0.000 0.224 601 S C 2.120 176.300 174.600 -0.700 0.000 1.029 601 S CA 3.722 61.543 58.200 -0.631 0.000 0.988 601 S CB 0.068 62.730 63.200 -0.897 0.000 0.838 601 S HN -0.588 7.483 8.310 -0.398 0.000 0.462 602 K N 1.055 121.065 120.400 -0.649 0.000 2.155 602 K HA -0.268 3.940 4.320 -0.187 0.000 0.203 602 K C 1.807 178.365 176.600 -0.070 0.000 1.052 602 K CA 2.742 58.874 56.287 -0.259 0.000 0.948 602 K CB -0.320 32.130 32.500 -0.084 0.000 0.728 602 K HN -0.282 7.612 8.250 -0.593 0.000 0.448 603 Y N 2.132 122.335 120.300 -0.162 0.000 2.242 603 Y HA -0.352 4.377 4.550 -0.058 -0.214 0.291 603 Y C 1.535 177.407 175.900 -0.047 0.000 1.137 603 Y CA 3.162 61.211 58.100 -0.085 0.000 1.181 603 Y CB -0.040 38.365 38.460 -0.092 0.000 0.989 603 Y HN -0.276 8.021 8.280 0.028 0.000 0.527 604 H N 1.206 120.182 119.070 -0.157 0.000 2.352 604 H HA -0.221 4.197 4.556 -0.230 0.000 0.299 604 H C 2.350 177.588 175.328 -0.150 0.000 1.097 604 H CA 3.227 59.139 56.048 -0.226 0.000 1.311 604 H CB -0.131 29.410 29.762 -0.368 0.000 1.377 604 H HN -0.450 7.868 8.280 0.063 0.000 0.504 605 L N -2.156 119.017 121.223 -0.083 0.000 2.093 605 L HA -0.416 3.897 4.340 -0.044 0.000 0.208 605 L C 2.179 178.998 176.870 -0.086 0.000 1.085 605 L CA 2.964 57.791 54.840 -0.022 0.000 0.755 605 L CB -0.380 41.768 42.059 0.149 0.000 0.904 605 L HN -0.459 7.763 8.230 -0.013 0.000 0.435 606 E N -1.002 119.113 120.200 -0.142 0.000 2.077 606 E HA -0.404 3.887 4.350 -0.098 0.000 0.193 606 E C 2.548 179.005 176.600 -0.238 0.000 0.989 606 E CA 3.674 59.971 56.400 -0.171 0.000 0.800 606 E CB -0.101 29.492 29.700 -0.178 0.000 0.746 606 E HN 0.033 8.226 8.360 -0.144 0.080 0.452 607 T N -0.604 113.713 114.554 -0.394 0.000 2.857 607 T HA -0.242 3.946 4.350 -0.269 0.000 0.266 607 T C 1.802 176.397 174.700 -0.174 0.000 1.048 607 T CA 3.820 65.730 62.100 -0.316 0.000 1.139 607 T CB -0.294 68.346 68.868 -0.380 0.000 0.874 607 T HN -0.083 7.853 8.240 -0.506 0.000 0.455 608 I N 2.675 123.132 120.570 -0.190 0.000 2.226 608 I HA -0.505 3.686 4.170 -0.096 -0.078 0.245 608 I C 2.133 178.240 176.117 -0.017 0.000 1.100 608 I CA 4.016 65.250 61.300 -0.110 0.000 1.374 608 I CB -0.388 37.532 38.000 -0.132 0.000 1.057 608 I HN -0.437 7.622 8.210 -0.252 0.000 0.413 609 R N -1.625 118.866 120.500 -0.015 0.000 2.096 609 R HA -0.458 3.951 4.340 0.115 0.000 0.235 609 R C 2.193 178.584 176.300 0.151 0.000 1.127 609 R CA 3.974 60.115 56.100 0.067 0.000 0.968 609 R CB -0.337 29.941 30.300 -0.037 0.000 0.861 609 R HN -0.367 7.871 8.270 -0.054 0.000 0.440 610 c N -0.114 118.508 118.600 0.037 0.000 2.429 610 c HA -0.163 4.435 4.570 0.046 0.000 0.277 610 c C 3.043 177.145 174.090 0.020 0.000 1.262 610 c CA 3.683 60.025 56.329 0.022 0.000 1.733 610 c CB -1.666 40.823 42.510 -0.036 0.000 2.010 610 c HN -0.067 8.073 8.230 -0.022 0.077 0.483 611 M N -1.225 118.380 119.600 0.009 0.000 2.374 611 M HA -0.171 4.309 4.480 -0.001 0.000 0.264 611 M C 0.772 177.086 176.300 0.024 0.000 1.067 611 M CA 1.584 56.888 55.300 0.008 0.000 1.103 611 M CB -0.902 31.698 32.600 -0.001 0.000 1.402 611 M HN -0.145 8.058 8.290 -0.005 0.083 0.444 612 K N -2.867 117.576 120.400 0.073 0.000 2.410 612 K HA 0.316 4.654 4.320 0.030 0.000 0.200 612 K C 0.362 176.924 176.600 -0.063 0.000 1.023 612 K CA -0.748 55.584 56.287 0.075 0.000 1.149 612 K CB 0.015 32.649 32.500 0.223 0.000 0.859 612 K HN -0.773 7.405 8.250 0.111 0.139 0.514 613 G N -2.022 106.740 108.800 -0.064 0.000 2.175 613 G HA2 -0.395 3.423 3.960 -0.238 0.000 0.244 613 G HA3 -0.395 3.502 3.960 -0.105 0.000 0.244 613 G C -0.266 174.486 174.900 -0.246 0.000 0.982 613 G CA 0.244 45.240 45.100 -0.174 0.000 0.641 613 G HN -0.373 7.754 8.290 0.001 0.164 0.527 614 Y N -0.463 119.819 120.300 -0.029 0.000 2.299 614 Y HA -0.083 4.452 4.550 -0.025 0.000 0.335 614 Y C 0.156 176.040 175.900 -0.026 0.000 1.287 614 Y CA -0.232 57.852 58.100 -0.027 0.000 1.424 614 Y CB 0.460 38.903 38.460 -0.028 0.000 1.326 614 Y HN -0.596 7.773 8.280 0.149 0.000 0.567 615 E N 0.129 120.416 120.200 0.146 0.000 2.408 615 E HA -0.023 4.354 4.350 0.045 0.000 0.259 615 E C -1.068 175.569 176.600 0.062 0.000 1.110 615 E CA -0.732 55.711 56.400 0.073 0.000 0.929 615 E CB -0.297 29.438 29.700 0.059 0.000 0.971 615 E HN 0.346 8.812 8.360 0.176 0.000 0.438 616 P HA 0.113 4.541 4.420 0.013 0.000 0.226 616 P C -1.699 175.615 177.300 0.022 0.000 1.783 616 P CA -0.383 62.730 63.100 0.021 0.000 0.980 616 P CB -1.001 30.710 31.700 0.018 0.000 1.967 617 T N 3.744 118.310 114.554 0.020 0.000 2.743 617 T HA 0.032 4.392 4.350 0.016 0.000 0.293 617 T C -0.370 174.331 174.700 0.002 0.000 0.945 617 T CA -0.456 61.651 62.100 0.012 0.000 1.030 617 T CB 0.778 69.650 68.868 0.007 0.000 0.912 617 T HN -0.294 7.912 8.240 0.024 0.049 0.483 618 K N 6.004 126.409 120.400 0.007 0.000 2.368 618 K HA -0.018 4.451 4.320 0.016 -0.139 0.282 618 K C 0.181 176.772 176.600 -0.015 0.000 1.035 618 K CA -1.044 55.249 56.287 0.009 0.000 0.973 618 K CB 0.246 32.761 32.500 0.025 0.000 0.957 618 K HN 0.286 8.543 8.250 0.011 0.000 0.474 619 I N 4.500 125.061 120.570 -0.014 0.000 2.634 619 I HA -0.150 4.111 4.170 -0.038 -0.114 0.284 619 I C 0.315 176.408 176.117 -0.040 0.000 1.124 619 I CA 0.689 61.975 61.300 -0.023 0.000 1.417 619 I CB 0.894 38.907 38.000 0.021 0.000 1.396 619 I HN 0.226 8.728 8.210 -0.004 -0.295 0.571 620 S N 5.861 121.540 115.700 -0.034 0.000 2.437 620 S HA -0.015 4.447 4.470 -0.014 0.000 0.304 620 S C 0.600 175.198 174.600 -0.003 0.000 1.167 620 S CA -0.664 57.538 58.200 0.003 0.000 1.106 620 S CB 0.319 63.564 63.200 0.074 0.000 1.099 620 S HN 0.109 8.393 8.310 -0.044 0.000 0.524 621 A N 8.975 131.704 122.820 -0.151 0.000 1.933 621 A HA -0.244 3.862 4.320 -0.357 0.000 0.218 621 A C 1.068 178.625 177.584 -0.044 0.000 1.175 621 A CA 2.987 54.819 52.037 -0.342 0.000 0.628 621 A CB -0.549 17.804 19.000 -1.078 0.000 0.814 621 A HN 0.533 8.573 8.150 -0.184 0.000 0.444 622 L N -2.051 119.256 121.223 0.140 0.000 2.093 622 L HA -0.326 4.126 4.340 0.186 0.000 0.208 622 L C 1.111 178.160 176.870 0.299 0.000 1.085 622 L CA 2.590 57.519 54.840 0.147 0.000 0.755 622 L CB -0.585 41.336 42.059 -0.231 0.000 0.904 622 L HN -0.216 8.073 8.230 0.125 0.016 0.435 623 Y N -0.844 119.642 120.300 0.311 0.000 2.181 623 Y HA -0.437 4.303 4.550 0.316 0.000 0.288 623 Y C 1.795 177.712 175.900 0.028 0.000 1.146 623 Y CA 3.540 61.782 58.100 0.237 0.000 1.164 623 Y CB 0.021 38.567 38.460 0.144 0.000 0.982 623 Y HN -0.577 8.005 8.280 0.502 0.000 0.515 624 V N -2.381 117.602 119.914 0.115 0.000 2.407 624 V HA -0.501 3.585 4.120 -0.057 0.000 0.248 624 V C 1.846 177.948 176.094 0.013 0.000 1.055 624 V CA 3.371 65.658 62.300 -0.021 0.000 1.049 624 V CB -0.809 30.967 31.823 -0.079 0.000 0.662 624 V HN -0.813 7.470 8.190 0.155 0.000 0.455 625 A N -1.433 121.407 122.820 0.033 0.000 1.933 625 A HA -0.266 4.170 4.320 0.193 0.000 0.218 625 A C 1.895 179.606 177.584 0.212 0.000 1.175 625 A CA 3.034 55.156 52.037 0.141 0.000 0.628 625 A CB -0.172 18.916 19.000 0.147 0.000 0.814 625 A HN -0.223 7.859 8.150 0.030 0.085 0.444 626 N N -5.154 113.602 118.700 0.094 0.000 2.282 626 N HA 0.128 4.962 4.740 0.157 0.000 0.185 626 N C -1.184 174.217 175.510 -0.182 0.000 1.099 626 N CA 0.227 53.304 53.050 0.045 0.000 0.878 626 N CB 1.483 40.003 38.487 0.056 0.000 0.993 626 N HN -0.601 7.678 8.380 0.035 0.122 0.481 627 c N 0.515 118.917 118.600 -0.330 0.000 2.258 627 c HA 0.181 4.410 4.570 -0.569 0.000 0.321 627 c C -2.002 171.915 174.090 -0.288 0.000 1.168 627 c CA -0.073 55.870 56.329 -0.645 0.000 1.531 627 c CB -1.796 39.843 42.510 -1.453 0.000 2.095 627 c HN -0.767 7.298 8.230 -0.275 0.000 0.449 628 Y N 1.494 121.797 120.300 0.005 0.000 2.571 628 Y HA 0.229 4.949 4.550 0.283 0.000 0.341 628 Y C -1.931 174.089 175.900 0.199 0.000 1.076 628 Y CA -1.918 56.282 58.100 0.167 0.000 1.029 628 Y CB 1.430 39.932 38.460 0.071 0.000 1.308 628 Y HN -0.148 7.832 8.280 -0.501 0.000 0.461 629 K N 2.999 123.597 120.400 0.330 0.000 2.098 629 K HA 0.272 4.647 4.320 0.092 0.000 0.257 629 K C 0.527 177.258 176.600 0.219 0.000 0.999 629 K CA -0.291 56.094 56.287 0.163 0.000 0.924 629 K CB 0.848 33.388 32.500 0.068 0.000 1.028 629 K HN 0.470 8.933 8.250 0.354 0.000 0.466 630 G N 0.407 109.287 108.800 0.134 0.000 2.587 630 G HA2 -0.221 3.816 3.960 0.129 0.000 0.212 630 G HA3 -0.221 3.791 3.960 0.086 0.000 0.212 630 G C -1.398 173.610 174.900 0.180 0.000 1.327 630 G CA -0.729 44.449 45.100 0.131 0.000 0.898 630 G HN 0.021 8.361 8.290 0.083 0.000 0.551 631 E N 0.567 120.856 120.200 0.148 0.000 2.415 631 E HA -0.200 4.245 4.350 0.159 0.000 0.262 631 E C -0.579 176.183 176.600 0.269 0.000 1.038 631 E CA -0.297 56.202 56.400 0.165 0.000 0.921 631 E CB 0.593 30.353 29.700 0.100 0.000 0.950 631 E HN 0.028 8.454 8.360 0.110 0.000 0.438 632 H N 3.249 122.433 119.070 0.190 0.000 3.064 632 H HA -0.353 4.463 4.556 0.434 0.000 0.329 632 H C -0.012 175.390 175.328 0.123 0.000 1.020 632 H CA 1.261 57.458 56.048 0.248 0.000 1.402 632 H CB 0.351 30.200 29.762 0.145 0.000 1.379 632 H HN 0.235 8.714 8.280 0.333 0.000 0.594 633 K N 6.268 126.374 120.400 -0.490 0.000 2.281 633 K HA 0.242 4.393 4.320 -0.280 0.000 0.242 633 K C -1.609 174.711 176.600 -0.467 0.000 0.971 633 K CA -1.712 54.288 56.287 -0.478 0.000 0.834 633 K CB 2.231 34.303 32.500 -0.714 0.000 1.181 633 K HN -0.090 7.838 8.250 -0.537 0.000 0.435 634 D N 2.701 122.985 120.400 -0.192 0.000 2.453 634 D HA 0.029 4.666 4.640 -0.004 0.000 0.223 634 D C -0.023 176.263 176.300 -0.022 0.000 1.183 634 D CA -0.046 53.924 54.000 -0.049 0.000 0.933 634 D CB -0.345 40.461 40.800 0.010 0.000 1.038 634 D HN 0.356 8.631 8.370 -0.158 0.000 0.513 635 R N 1.221 121.730 120.500 0.016 0.000 2.276 635 R HA 0.065 4.470 4.340 0.108 0.000 0.196 635 R C 0.031 176.442 176.300 0.185 0.000 0.961 635 R CA 1.168 57.334 56.100 0.111 0.000 1.024 635 R CB 0.090 30.479 30.300 0.148 0.000 0.940 635 R HN -0.046 8.234 8.270 0.017 0.000 0.480 636 c N -1.376 117.315 118.600 0.152 0.000 2.524 636 c HA 0.047 4.745 4.570 0.212 0.000 0.284 636 c C 0.385 174.564 174.090 0.149 0.000 1.346 636 c CA 1.840 58.273 56.329 0.174 0.000 1.739 636 c CB -0.290 42.316 42.510 0.160 0.000 2.119 636 c HN 0.258 8.563 8.230 0.126 0.000 0.501 637 D N -1.243 119.222 120.400 0.108 0.000 2.323 637 D HA -0.026 4.662 4.640 0.080 0.000 0.209 637 D C 0.118 176.460 176.300 0.070 0.000 0.973 637 D CA 1.582 55.630 54.000 0.080 0.000 0.874 637 D CB 0.046 40.882 40.800 0.059 0.000 0.930 637 D HN 0.353 8.783 8.370 0.099 0.000 0.521 638 E N -2.224 118.020 120.200 0.072 0.000 2.317 638 E HA 0.405 4.779 4.350 0.039 0.000 0.270 638 E C -0.954 175.686 176.600 0.067 0.000 0.885 638 E CA -1.759 54.664 56.400 0.039 0.000 0.760 638 E CB 3.749 33.437 29.700 -0.020 0.000 1.227 638 E HN -0.885 7.492 8.360 0.082 0.033 0.434 639 G N -0.174 108.647 108.800 0.034 0.000 2.666 639 G HA2 0.240 4.241 3.960 0.069 0.000 0.207 639 G HA3 0.240 4.491 3.960 0.240 -0.147 0.207 639 G C -1.728 172.870 174.900 -0.504 0.000 1.481 639 G CA -0.811 44.285 45.100 -0.008 0.000 1.071 639 G HN -0.058 8.290 8.290 0.017 -0.048 0.572 640 S N -1.980 113.116 115.700 -1.006 0.000 4.390 640 S HA 0.150 4.212 4.470 -0.680 0.000 0.188 640 S C -1.857 172.355 174.600 -0.647 0.000 1.268 640 S CA -0.866 56.703 58.200 -1.052 0.000 1.105 640 S CB 0.627 62.742 63.200 -1.808 0.000 2.050 640 S HN 0.179 7.913 8.310 -0.959 0.000 0.689 641 S N -2.012 113.333 115.700 -0.591 0.000 2.597 641 S HA 0.414 4.886 4.470 0.003 0.000 0.274 641 S C -2.422 172.247 174.600 0.115 0.000 1.132 641 S CA -1.932 56.187 58.200 -0.134 0.000 0.835 641 S CB 0.977 64.054 63.200 -0.206 0.000 1.092 641 S HN -0.429 7.346 8.310 -0.890 0.000 0.457 642 P HA -0.114 4.594 4.420 0.480 0.000 0.218 642 P C 1.086 178.528 177.300 0.237 0.000 1.148 642 P CA 1.893 65.186 63.100 0.321 0.000 0.822 642 P CB 0.330 32.163 31.700 0.221 0.000 0.784 643 M N -2.992 116.552 119.600 -0.094 0.000 2.149 643 M HA -0.451 3.969 4.480 -0.100 0.000 0.261 643 M C 1.545 177.872 176.300 0.044 0.000 1.064 643 M CA 3.744 58.977 55.300 -0.112 0.000 1.102 643 M CB -0.649 31.835 32.600 -0.193 0.000 1.369 643 M HN -0.074 8.068 8.290 -0.227 0.011 0.408 644 E N -0.894 119.332 120.200 0.044 0.000 2.152 644 E HA -0.321 4.051 4.350 0.036 0.000 0.192 644 E C 2.113 178.864 176.600 0.252 0.000 0.983 644 E CA 2.612 59.050 56.400 0.062 0.000 0.818 644 E CB -0.210 29.407 29.700 -0.139 0.000 0.758 644 E HN -0.780 7.474 8.360 -0.005 0.103 0.467 645 F N 1.258 121.391 119.950 0.305 0.000 2.091 645 F HA -0.407 4.307 4.527 0.311 0.000 0.299 645 F C 1.433 177.225 175.800 -0.012 0.000 1.103 645 F CA 3.723 61.873 58.000 0.250 0.000 1.228 645 F CB 0.144 39.316 39.000 0.287 0.000 0.984 645 F HN -0.795 7.888 8.300 0.637 0.000 0.477 646 L N -3.304 117.944 121.223 0.042 0.000 2.046 646 L HA -0.505 3.615 4.340 -0.367 0.000 0.208 646 L C 1.946 178.742 176.870 -0.124 0.000 1.077 646 L CA 2.980 57.703 54.840 -0.196 0.000 0.747 646 L CB -0.751 41.206 42.059 -0.170 0.000 0.896 646 L HN -0.478 7.844 8.230 0.153 0.000 0.432 647 Q N -0.483 119.310 119.800 -0.011 0.000 2.135 647 Q HA -0.301 4.060 4.340 0.035 0.000 0.204 647 Q C 2.568 178.591 176.000 0.039 0.000 0.981 647 Q CA 2.959 58.779 55.803 0.028 0.000 0.856 647 Q CB -0.702 28.068 28.738 0.053 0.000 0.902 647 Q HN -0.396 7.815 8.270 0.027 0.075 0.425 648 I N -0.120 120.463 120.570 0.022 0.000 2.252 648 I HA -0.511 3.809 4.170 0.249 0.000 0.245 648 I C 1.811 177.956 176.117 0.047 0.000 1.102 648 I CA 4.442 65.796 61.300 0.090 0.000 1.385 648 I CB -0.042 37.963 38.000 0.009 0.000 1.064 648 I HN -0.372 7.836 8.210 -0.003 0.000 0.414 649 I N 0.405 120.843 120.570 -0.220 0.000 2.226 649 I HA -0.562 3.448 4.170 -0.267 0.000 0.245 649 I C 2.368 178.431 176.117 -0.090 0.000 1.100 649 I CA 4.427 65.540 61.300 -0.312 0.000 1.374 649 I CB -0.317 37.247 38.000 -0.727 0.000 1.057 649 I HN -0.694 7.308 8.210 -0.347 0.000 0.413 650 E N -1.264 118.915 120.200 -0.034 0.000 2.152 650 E HA -0.304 4.116 4.350 0.117 0.000 0.192 650 E C 1.756 178.404 176.600 0.081 0.000 0.983 650 E CA 2.463 58.905 56.400 0.070 0.000 0.818 650 E CB -0.285 29.465 29.700 0.084 0.000 0.758 650 E HN -0.489 7.834 8.360 -0.063 0.000 0.467 651 D N -1.650 118.797 120.400 0.080 0.000 2.123 651 D HA -0.141 4.481 4.640 -0.030 0.000 0.200 651 D C 1.653 177.909 176.300 -0.073 0.000 0.976 651 D CA 2.663 56.663 54.000 0.001 0.000 0.831 651 D CB 0.313 41.119 40.800 0.010 0.000 0.974 651 D HN -0.204 8.225 8.370 0.097 0.000 0.469 652 Y N -3.077 117.270 120.300 0.078 0.000 2.503 652 Y HA -0.147 4.473 4.550 0.116 0.000 0.277 652 Y C 1.437 177.444 175.900 0.178 0.000 1.102 652 Y CA 0.695 58.877 58.100 0.136 0.000 1.261 652 Y CB 1.369 39.958 38.460 0.215 0.000 1.096 652 Y HN -0.424 8.073 8.280 0.362 0.000 0.546 653 G N -0.736 108.242 108.800 0.297 0.000 2.220 653 G HA2 -0.358 3.763 3.960 0.269 0.000 0.269 653 G HA3 -0.358 3.889 3.960 0.329 -0.091 0.269 653 G C -1.202 173.926 174.900 0.380 0.000 0.977 653 G CA 0.603 45.889 45.100 0.311 0.000 0.634 653 G HN -0.164 8.170 8.290 0.254 0.109 0.539 654 F N -0.199 119.869 119.950 0.196 0.000 2.520 654 F HA 0.153 4.910 4.527 0.140 -0.146 0.322 654 F C -2.339 173.459 175.800 -0.004 0.000 1.103 654 F CA -1.126 56.941 58.000 0.112 0.000 0.926 654 F CB 3.198 42.241 39.000 0.072 0.000 1.154 654 F HN -0.659 7.830 8.300 0.480 0.099 0.453 655 L N 7.111 128.193 121.223 -0.236 0.000 2.401 655 L HA 0.645 4.910 4.340 -0.126 0.000 0.263 655 L C -2.775 173.943 176.870 -0.254 0.000 1.004 655 L CA -3.521 51.209 54.840 -0.182 0.000 0.881 655 L CB 2.650 44.623 42.059 -0.142 0.000 1.219 655 L HN 0.424 8.578 8.230 -0.618 -0.295 0.441 656 P HA 0.473 5.107 4.420 0.034 -0.194 0.274 656 P C -0.980 176.219 177.300 -0.168 0.000 1.246 656 P CA -1.252 61.779 63.100 -0.116 0.000 0.795 656 P CB 0.994 32.516 31.700 -0.297 0.000 1.006 657 A N -1.108 121.594 122.820 -0.197 0.000 2.316 657 A HA 0.290 4.687 4.320 -0.104 -0.140 0.284 657 A C 1.335 178.824 177.584 -0.158 0.000 1.115 657 A CA -2.287 49.663 52.037 -0.146 0.000 0.812 657 A CB 1.702 20.633 19.000 -0.115 0.000 1.064 657 A HN -0.180 7.976 8.150 -0.230 -0.145 0.489 658 E N 4.216 124.368 120.200 -0.081 0.000 2.130 658 E HA -0.378 3.946 4.350 -0.043 0.000 0.196 658 E C 1.623 178.183 176.600 -0.066 0.000 0.998 658 E CA 3.007 59.377 56.400 -0.050 0.000 0.806 658 E CB -0.129 29.568 29.700 -0.004 0.000 0.738 658 E HN 0.210 8.426 8.360 -0.058 0.109 0.459 659 S N -2.585 113.074 115.700 -0.068 0.000 2.399 659 S HA -0.222 4.238 4.470 -0.016 0.000 0.231 659 S C 0.999 175.544 174.600 -0.091 0.000 1.022 659 S CA 2.347 60.520 58.200 -0.046 0.000 0.983 659 S CB -0.111 63.080 63.200 -0.016 0.000 0.803 659 S HN 0.349 8.607 8.310 -0.064 0.013 0.480 660 N N -1.938 116.601 118.700 -0.268 0.000 2.376 660 N HA -0.101 4.463 4.740 -0.294 0.000 0.177 660 N C -1.427 173.823 175.510 -0.433 0.000 1.024 660 N CA 1.507 54.219 53.050 -0.564 0.000 0.893 660 N CB 0.959 38.549 38.487 -1.494 0.000 0.980 660 N HN -0.613 7.456 8.380 -0.303 0.129 0.439 661 Y N -1.118 118.917 120.300 -0.441 0.000 2.520 661 Y HA 0.249 4.747 4.550 -0.086 0.000 0.339 661 Y C -2.876 172.991 175.900 -0.054 0.000 1.113 661 Y CA -3.810 54.167 58.100 -0.205 0.000 1.255 661 Y CB 1.500 39.819 38.460 -0.236 0.000 1.099 661 Y HN -0.906 7.248 8.280 -0.211 0.000 0.628 662 P HA 0.098 4.859 4.420 -0.033 -0.360 0.278 662 P C -1.947 175.281 177.300 -0.120 0.000 1.238 662 P CA -0.844 62.207 63.100 -0.083 0.000 0.794 662 P CB 0.774 32.464 31.700 -0.017 0.000 0.955 663 Y N 3.838 124.069 120.300 -0.114 0.000 2.377 663 Y HA -0.191 4.269 4.550 -0.150 0.000 0.330 663 Y C -1.403 174.491 175.900 -0.009 0.000 1.108 663 Y CA 1.279 59.340 58.100 -0.065 0.000 1.308 663 Y CB 1.070 39.577 38.460 0.078 0.000 1.216 663 Y HN -0.337 8.470 8.280 0.199 -0.408 0.518 664 N N 7.071 125.483 118.700 -0.480 0.000 2.371 664 N HA 0.055 4.730 4.740 -0.109 0.000 0.291 664 N C -0.645 174.472 175.510 -0.655 0.000 1.053 664 N CA -1.590 51.250 53.050 -0.350 0.000 0.870 664 N CB 2.543 40.896 38.487 -0.224 0.000 1.503 664 N HN -0.061 7.942 8.380 -0.629 0.000 0.485 665 Y N 5.088 125.103 120.300 -0.476 0.000 2.384 665 Y HA -0.347 3.826 4.550 -0.628 0.000 0.289 665 Y C 0.788 176.563 175.900 -0.207 0.000 1.152 665 Y CA 2.232 60.118 58.100 -0.357 0.000 1.258 665 Y CB -0.306 38.155 38.460 0.001 0.000 0.979 665 Y HN 0.443 8.798 8.280 0.126 0.000 0.549 666 V N -4.027 115.363 119.914 -0.872 0.000 3.141 666 V HA -0.089 3.688 4.120 -0.571 0.000 0.265 666 V C 0.517 176.432 176.094 -0.299 0.000 1.126 666 V CA 1.984 63.913 62.300 -0.617 0.000 1.141 666 V CB -0.279 31.200 31.823 -0.574 0.000 0.743 666 V HN -0.504 7.351 8.190 -0.940 -0.228 0.492 667 K N -2.376 117.847 120.400 -0.294 0.000 2.374 667 K HA 0.052 4.298 4.320 -0.124 0.000 0.196 667 K C -0.871 175.660 176.600 -0.116 0.000 1.023 667 K CA -0.283 55.895 56.287 -0.182 0.000 1.103 667 K CB 0.730 33.102 32.500 -0.214 0.000 0.848 667 K HN -0.394 7.579 8.250 -0.378 0.049 0.528 668 V N 0.594 120.433 119.914 -0.125 0.000 2.450 668 V HA -0.453 3.798 4.120 0.011 -0.124 0.281 668 V C 0.861 176.996 176.094 0.069 0.000 1.019 668 V CA 1.664 63.965 62.300 0.000 0.000 1.062 668 V CB -1.703 30.162 31.823 0.069 0.000 0.979 668 V HN -0.747 7.178 8.190 -0.176 0.159 0.477 669 G N 7.514 116.380 108.800 0.109 0.000 2.211 669 G HA2 -0.210 3.840 3.960 0.150 0.000 0.201 669 G HA3 -0.210 3.858 3.960 0.181 0.000 0.201 669 G C -1.097 173.885 174.900 0.138 0.000 0.997 669 G CA -0.493 44.696 45.100 0.149 0.000 0.652 669 G HN 0.735 9.494 8.290 0.116 -0.399 0.500 670 E N -0.058 120.198 120.200 0.094 0.000 2.369 670 E HA -0.024 4.372 4.350 0.076 0.000 0.255 670 E C -0.956 175.685 176.600 0.068 0.000 1.172 670 E CA -1.109 55.339 56.400 0.080 0.000 0.932 670 E CB 0.546 30.288 29.700 0.071 0.000 1.040 670 E HN -0.647 7.760 8.360 0.079 0.000 0.454 671 Q N 0.596 120.421 119.800 0.041 0.000 2.315 671 Q HA -0.127 4.196 4.340 -0.029 0.000 0.289 671 Q C 0.297 176.272 176.000 -0.041 0.000 1.044 671 Q CA 0.364 56.161 55.803 -0.010 0.000 0.920 671 Q CB 0.043 28.773 28.738 -0.013 0.000 1.214 671 Q HN 0.126 8.421 8.270 0.042 0.000 0.392 672 c N 8.440 126.961 118.600 -0.131 0.000 2.596 672 c HA -0.009 4.400 4.570 -0.270 0.000 0.414 672 c C -1.135 172.839 174.090 -0.193 0.000 1.396 672 c CA -1.648 54.538 56.329 -0.239 0.000 1.698 672 c CB -1.496 40.814 42.510 -0.334 0.000 2.572 672 c HN 0.466 8.603 8.230 -0.154 0.000 0.604 673 P HA 0.114 4.453 4.420 -0.136 0.000 0.281 673 P C -1.619 175.585 177.300 -0.159 0.000 1.249 673 P CA -0.814 62.166 63.100 -0.198 0.000 0.810 673 P CB 1.127 32.608 31.700 -0.366 0.000 1.008 674 K N 1.479 121.753 120.400 -0.210 0.000 2.451 674 K HA -0.159 4.027 4.320 -0.224 0.000 0.280 674 K C -0.755 175.473 176.600 -0.620 0.000 1.020 674 K CA 0.025 56.133 56.287 -0.300 0.000 1.008 674 K CB 0.256 32.595 32.500 -0.270 0.000 0.917 674 K HN 0.122 8.263 8.250 -0.181 0.000 0.478 675 V N 5.734 125.283 119.914 -0.609 0.000 2.415 675 V HA -0.137 3.061 4.120 -1.537 0.000 0.267 675 V C 0.001 175.457 176.094 -1.063 0.000 1.042 675 V CA 0.225 61.918 62.300 -1.010 0.000 1.000 675 V CB -0.052 31.283 31.823 -0.813 0.000 1.015 675 V HN 0.214 8.157 8.190 -0.410 0.000 0.478 676 E N 7.609 126.794 120.200 -1.691 0.000 2.374 676 E HA -0.010 3.920 4.350 -0.699 0.000 0.260 676 E C 0.785 177.008 176.600 -0.627 0.000 1.101 676 E CA -1.071 54.701 56.400 -1.048 0.000 0.907 676 E CB 1.123 30.181 29.700 -1.070 0.000 1.014 676 E HN 0.051 6.664 8.360 -2.911 0.000 0.427 677 D N 0.376 120.602 120.400 -0.289 0.000 2.149 677 D HA -0.245 4.326 4.640 -0.115 0.000 0.198 677 D C 0.422 176.734 176.300 0.020 0.000 0.990 677 D CA 2.519 56.459 54.000 -0.101 0.000 0.839 677 D CB -0.223 40.565 40.800 -0.021 0.000 0.948 677 D HN 0.544 8.773 8.370 -0.234 0.000 0.460 678 H N -5.103 114.004 119.070 0.062 0.000 2.539 678 H HA -0.004 4.635 4.556 0.139 0.000 0.267 678 H C -0.144 175.388 175.328 0.341 0.000 0.982 678 H CA -0.490 55.663 56.048 0.175 0.000 1.146 678 H CB -0.489 29.371 29.762 0.163 0.000 1.382 678 H HN -0.508 7.776 8.280 0.037 0.019 0.577 679 W N 0.749 121.862 121.300 -0.311 0.000 2.190 679 W HA -0.110 4.545 4.660 -0.189 -0.109 0.330 679 W C 0.109 176.707 176.519 0.132 0.000 1.299 679 W CA -0.147 57.118 57.345 -0.134 0.000 1.215 679 W CB -0.074 29.314 29.460 -0.120 0.000 1.147 679 W HN -0.771 7.343 8.180 -0.020 0.054 0.563 680 M N 2.086 121.840 119.600 0.256 0.000 2.217 680 M HA -0.030 4.522 4.480 0.121 0.000 0.354 680 M C -0.921 175.352 176.300 -0.045 0.000 1.225 680 M CA 0.076 55.443 55.300 0.112 0.000 1.137 680 M CB 0.631 33.246 32.600 0.024 0.000 1.576 680 M HN -0.271 8.339 8.290 0.156 -0.226 0.461 681 N N 2.405 120.934 118.700 -0.286 0.000 2.485 681 N HA 0.161 4.302 4.740 -1.209 -0.126 0.243 681 N C 0.589 175.870 175.510 -0.381 0.000 0.987 681 N CA -0.740 51.834 53.050 -0.793 0.000 0.940 681 N CB 0.192 38.102 38.487 -0.961 0.000 1.122 681 N HN 0.341 8.625 8.380 -0.160 0.000 0.509 682 L N 4.518 125.569 121.223 -0.287 0.000 2.627 682 L HA 0.042 4.284 4.340 -0.164 0.000 0.233 682 L C -0.561 176.294 176.870 -0.026 0.000 1.144 682 L CA 0.821 55.572 54.840 -0.148 0.000 0.892 682 L CB -0.504 41.497 42.059 -0.098 0.000 1.039 682 L HN 0.557 8.593 8.230 -0.322 0.000 0.442 683 W N -0.887 120.219 121.300 -0.323 0.000 2.653 683 W HA 0.094 4.619 4.660 -0.224 0.000 0.391 683 W C -1.760 174.631 176.519 -0.213 0.000 0.962 683 W CA -1.843 55.355 57.345 -0.244 0.000 1.900 683 W CB 1.439 30.778 29.460 -0.202 0.000 1.176 683 W HN -0.495 7.820 8.180 -0.106 -0.198 0.582 684 D N 2.493 122.722 120.400 -0.286 0.000 2.455 684 D HA -0.099 4.386 4.640 -0.258 0.000 0.241 684 D C 0.240 176.313 176.300 -0.377 0.000 1.138 684 D CA 1.971 55.799 54.000 -0.286 0.000 0.877 684 D CB 0.910 41.603 40.800 -0.179 0.000 1.187 684 D HN -0.876 7.348 8.370 -0.243 0.000 0.451 685 N N 1.573 120.066 118.700 -0.345 0.000 2.753 685 N HA -0.294 4.292 4.740 -0.256 0.000 0.251 685 N C -1.187 174.007 175.510 -0.527 0.000 1.097 685 N CA 0.801 53.658 53.050 -0.323 0.000 0.786 685 N CB -1.185 37.190 38.487 -0.188 0.000 1.137 685 N HN 0.181 8.390 8.380 -0.286 0.000 0.566 686 G N -3.553 104.654 108.800 -0.988 0.000 2.371 686 G HA2 0.277 2.463 3.960 -2.955 0.000 0.326 686 G HA3 0.277 3.688 3.960 -1.129 -0.129 0.326 686 G C -2.567 171.660 174.900 -1.123 0.000 1.127 686 G CA -0.828 43.283 45.100 -1.647 0.000 0.885 686 G HN -0.593 7.016 8.290 -1.068 0.040 0.477 687 K N 3.297 123.403 120.400 -0.490 0.000 2.482 687 K HA 0.500 4.910 4.320 0.149 0.000 0.251 687 K C -1.746 175.015 176.600 0.268 0.000 0.936 687 K CA -1.413 54.894 56.287 0.034 0.000 0.791 687 K CB 3.436 35.920 32.500 -0.027 0.000 1.213 687 K HN -0.088 7.890 8.250 -0.453 0.000 0.428 688 I N 5.466 126.236 120.570 0.332 0.000 2.441 688 I HA 0.122 4.364 4.170 0.120 0.000 0.287 688 I C 0.162 176.180 176.117 -0.164 0.000 1.049 688 I CA -1.945 59.405 61.300 0.082 0.000 1.381 688 I CB -0.669 37.328 38.000 -0.006 0.000 1.409 688 I HN 0.334 8.776 8.210 0.386 0.000 0.523 689 L N 6.723 127.826 121.223 -0.200 0.000 2.305 689 L HA 0.039 4.313 4.340 -0.111 0.000 0.281 689 L C -0.854 175.770 176.870 -0.410 0.000 1.085 689 L CA -0.070 54.655 54.840 -0.192 0.000 0.813 689 L CB 0.553 42.579 42.059 -0.055 0.000 1.157 689 L HN 0.253 8.410 8.230 -0.123 0.000 0.436 690 H N 1.465 120.565 119.070 0.049 0.000 2.549 690 H HA 0.161 4.785 4.556 0.026 -0.051 0.253 690 H C -0.936 174.406 175.328 0.023 0.000 1.170 690 H CA -1.642 54.425 56.048 0.032 0.000 0.943 690 H CB 0.692 30.473 29.762 0.032 0.000 1.849 690 H HN 0.307 8.600 8.280 0.021 0.000 0.603 691 N N 3.031 121.780 118.700 0.082 0.000 2.492 691 N HA -0.130 4.649 4.740 0.065 0.000 0.262 691 N C -0.607 174.934 175.510 0.052 0.000 1.202 691 N CA 0.593 53.679 53.050 0.060 0.000 0.926 691 N CB 0.361 38.871 38.487 0.038 0.000 1.078 691 N HN -0.115 8.234 8.380 0.044 0.058 0.454 692 K N 3.275 123.701 120.400 0.044 0.000 2.300 692 K HA 0.142 4.783 4.320 0.032 -0.302 0.264 692 K C -0.906 175.710 176.600 0.027 0.000 1.083 692 K CA -1.096 55.211 56.287 0.033 0.000 0.958 692 K CB -1.221 31.297 32.500 0.029 0.000 1.318 692 K HN 0.122 8.398 8.250 0.044 0.000 0.448 693 N N 3.492 122.207 118.700 0.026 0.000 2.510 693 N HA 0.060 4.815 4.740 0.024 0.000 0.186 693 N C 0.018 175.542 175.510 0.023 0.000 1.051 693 N CA 0.805 53.870 53.050 0.025 0.000 0.877 693 N CB 1.116 39.620 38.487 0.027 0.000 1.183 693 N HN 0.205 8.901 8.380 0.026 -0.300 0.443 694 E N 1.493 121.707 120.200 0.023 0.000 2.374 694 E HA 0.333 4.698 4.350 0.025 0.000 0.260 694 E C -1.262 175.349 176.600 0.019 0.000 1.101 694 E CA -1.882 54.531 56.400 0.023 0.000 0.907 694 E CB -0.445 29.270 29.700 0.025 0.000 1.014 694 E HN -0.689 7.933 8.360 0.023 -0.248 0.427 695 P HA 0.127 4.556 4.420 0.014 0.000 0.235 695 P C -1.810 175.498 177.300 0.012 0.000 1.725 695 P CA -0.426 62.683 63.100 0.015 0.000 0.894 695 P CB -1.860 29.848 31.700 0.015 0.000 1.704 696 N N -1.490 117.217 118.700 0.011 0.000 2.708 696 N HA 0.055 4.799 4.740 0.007 0.000 0.257 696 N C -0.700 174.814 175.510 0.006 0.000 1.373 696 N CA -0.716 52.339 53.050 0.008 0.000 0.843 696 N CB 1.459 39.951 38.487 0.008 0.000 1.503 696 N HN -0.615 7.671 8.380 0.013 0.102 0.504 697 S N -2.251 113.451 115.700 0.003 0.000 2.593 697 S HA 0.049 4.522 4.470 0.004 0.000 0.217 697 S C 0.518 175.116 174.600 -0.004 0.000 0.966 697 S CA 0.848 59.049 58.200 0.002 0.000 0.914 697 S CB 0.128 63.329 63.200 0.001 0.000 0.776 697 S HN 0.361 8.672 8.310 0.002 0.000 0.523 698 L N 1.205 122.424 121.223 -0.008 0.000 2.509 698 L HA -0.053 4.273 4.340 -0.023 0.000 0.222 698 L C -0.235 176.613 176.870 -0.036 0.000 1.123 698 L CA 0.467 55.294 54.840 -0.022 0.000 0.856 698 L CB 0.019 42.065 42.059 -0.022 0.000 0.985 698 L HN -0.619 7.799 8.230 -0.005 -0.192 0.456 699 D N -2.666 117.722 120.400 -0.020 0.000 2.447 699 D HA -0.019 4.589 4.640 -0.053 0.000 0.265 699 D C 0.822 177.117 176.300 -0.008 0.000 1.250 699 D CA -0.653 53.332 54.000 -0.025 0.000 1.046 699 D CB 0.823 41.621 40.800 -0.003 0.000 1.095 699 D HN -0.847 7.518 8.370 -0.008 0.000 0.555 700 G N -2.649 106.155 108.800 0.007 0.000 2.141 700 G HA2 -0.418 3.597 3.960 0.092 0.000 0.242 700 G HA3 -0.418 3.587 3.960 0.076 0.000 0.242 700 G C 0.670 175.673 174.900 0.171 0.000 0.982 700 G CA 0.880 46.027 45.100 0.079 0.000 0.662 700 G HN 0.493 8.778 8.290 -0.009 0.000 0.527 701 K N -0.036 120.380 120.400 0.028 0.000 2.288 701 K HA -0.099 4.297 4.320 0.128 0.000 0.201 701 K C 0.038 176.760 176.600 0.205 0.000 1.048 701 K CA 1.080 57.390 56.287 0.037 0.000 0.956 701 K CB 0.044 32.336 32.500 -0.347 0.000 0.746 701 K HN 0.309 8.515 8.250 -0.073 0.000 0.461 702 G N -4.517 104.316 108.800 0.055 0.000 2.232 702 G HA2 -0.223 3.759 3.960 0.036 0.000 0.226 702 G HA3 -0.223 3.803 3.960 -0.179 -0.173 0.226 702 G C -2.325 172.692 174.900 0.196 0.000 0.996 702 G CA -0.127 44.970 45.100 -0.006 0.000 0.626 702 G HN 0.074 8.328 8.290 -0.003 0.034 0.509 703 Y N -3.846 116.542 120.300 0.147 0.000 2.581 703 Y HA 1.134 6.028 4.550 0.305 -0.161 0.345 703 Y C -2.576 173.394 175.900 0.116 0.000 1.036 703 Y CA -3.175 55.064 58.100 0.233 0.000 1.042 703 Y CB 2.859 41.521 38.460 0.336 0.000 1.289 703 Y HN -0.773 7.392 8.280 -0.062 0.079 0.471 704 T N 1.192 115.834 114.554 0.147 0.000 2.848 704 T HA 0.342 4.551 4.350 -0.236 0.000 0.285 704 T C -1.629 173.055 174.700 -0.026 0.000 0.995 704 T CA -0.866 61.182 62.100 -0.085 0.000 0.970 704 T CB 2.837 71.641 68.868 -0.106 0.000 0.976 704 T HN 0.042 8.454 8.240 0.286 0.000 0.441 705 A N 4.401 127.140 122.820 -0.135 0.000 2.365 705 A HA 0.903 5.445 4.320 0.036 -0.201 0.318 705 A C -1.659 175.764 177.584 -0.268 0.000 1.091 705 A CA -1.752 50.260 52.037 -0.041 0.000 0.763 705 A CB 2.913 22.022 19.000 0.181 0.000 1.248 705 A HN 0.374 8.405 8.150 -0.198 0.000 0.442 706 Y N 0.393 120.814 120.300 0.201 0.000 2.442 706 Y HA 0.140 4.900 4.550 0.350 0.000 0.344 706 Y C -1.544 174.560 175.900 0.339 0.000 0.976 706 Y CA -1.328 56.956 58.100 0.308 0.000 1.040 706 Y CB 4.851 43.461 38.460 0.250 0.000 1.228 706 Y HN 0.418 8.861 8.280 0.271 0.000 0.451 707 E N 1.876 122.349 120.200 0.454 0.000 2.171 707 E HA 0.501 5.027 4.350 0.092 -0.120 0.271 707 E C 0.547 177.106 176.600 -0.067 0.000 0.916 707 E CA -1.527 54.957 56.400 0.139 0.000 0.774 707 E CB 1.487 31.192 29.700 0.009 0.000 1.128 707 E HN 0.338 9.011 8.360 0.522 0.000 0.403 708 S N 5.280 120.686 115.700 -0.490 0.000 2.400 708 S HA -0.303 3.257 4.470 -1.517 0.000 0.232 708 S C 1.817 176.248 174.600 -0.282 0.000 1.025 708 S CA 3.136 60.830 58.200 -0.842 0.000 0.993 708 S CB 0.254 63.051 63.200 -0.671 0.000 0.808 708 S HN 0.291 8.371 8.310 -0.385 0.000 0.478 709 E N 1.148 121.258 120.200 -0.150 0.000 2.153 709 E HA -0.265 4.091 4.350 0.009 0.000 0.194 709 E C 2.118 178.714 176.600 -0.007 0.000 0.988 709 E CA 2.528 58.916 56.400 -0.020 0.000 0.811 709 E CB -0.291 29.433 29.700 0.041 0.000 0.746 709 E HN 0.209 8.436 8.360 -0.205 0.009 0.466 710 R N -2.217 118.290 120.500 0.012 0.000 2.193 710 R HA -0.134 4.176 4.340 -0.051 0.000 0.213 710 R C 1.408 177.624 176.300 -0.140 0.000 1.055 710 R CA 1.043 57.123 56.100 -0.033 0.000 0.995 710 R CB 0.003 30.299 30.300 -0.007 0.000 0.893 710 R HN -0.535 7.740 8.270 0.029 0.012 0.459 711 F N -4.492 115.401 119.950 -0.096 0.000 2.668 711 F HA 0.194 4.719 4.527 -0.003 0.000 0.297 711 F C 0.719 176.474 175.800 -0.075 0.000 1.124 711 F CA -0.949 57.011 58.000 -0.066 0.000 1.353 711 F CB -0.548 38.403 39.000 -0.081 0.000 0.992 711 F HN -0.778 7.531 8.300 0.233 0.130 0.524 712 H N 1.451 120.548 119.070 0.045 0.000 2.357 712 H HA -0.259 4.309 4.556 0.019 0.000 0.296 712 H C 0.618 175.974 175.328 0.047 0.000 1.108 712 H CA 3.023 59.086 56.048 0.023 0.000 1.273 712 H CB -0.443 29.312 29.762 -0.012 0.000 1.367 712 H HN -0.718 7.500 8.280 0.013 0.070 0.498 713 D N -2.347 118.075 120.400 0.037 0.000 2.342 713 D HA 0.066 4.733 4.640 0.044 0.000 0.221 713 D C -0.748 175.599 176.300 0.078 0.000 1.101 713 D CA 0.425 54.450 54.000 0.042 0.000 0.837 713 D CB -0.035 40.770 40.800 0.009 0.000 0.938 713 D HN -0.009 8.371 8.370 0.016 0.000 0.508 714 N N -0.459 118.325 118.700 0.140 0.000 2.622 714 N HA 0.184 5.105 4.740 0.167 -0.081 0.293 714 N C -0.775 174.933 175.510 0.330 0.000 1.788 714 N CA -0.771 52.403 53.050 0.207 0.000 0.860 714 N CB 0.169 38.763 38.487 0.178 0.000 1.388 714 N HN -0.213 8.077 8.380 0.160 0.186 0.496 715 M N -0.971 118.800 119.600 0.284 0.000 2.374 715 M HA -0.240 4.410 4.480 0.283 0.000 0.264 715 M C 0.894 177.372 176.300 0.297 0.000 1.067 715 M CA 2.349 57.826 55.300 0.295 0.000 1.103 715 M CB -0.457 32.319 32.600 0.293 0.000 1.402 715 M HN 0.247 8.686 8.290 0.248 0.000 0.444 716 D N -1.728 118.857 120.400 0.307 0.000 2.144 716 D HA -0.272 4.544 4.640 0.294 0.000 0.199 716 D C 1.533 177.925 176.300 0.153 0.000 0.984 716 D CA 3.040 57.185 54.000 0.242 0.000 0.834 716 D CB -1.469 39.438 40.800 0.178 0.000 0.955 716 D HN 0.225 8.750 8.370 0.291 0.020 0.465 717 A N -0.934 122.001 122.820 0.192 0.000 1.898 717 A HA -0.229 4.148 4.320 0.094 0.000 0.216 717 A C 1.824 179.397 177.584 -0.018 0.000 1.181 717 A CA 2.576 54.708 52.037 0.158 0.000 0.620 717 A CB -0.745 18.450 19.000 0.325 0.000 0.819 717 A HN -0.602 7.696 8.150 0.246 0.000 0.442 718 F N -0.145 119.630 119.950 -0.293 0.000 2.095 718 F HA -0.379 3.471 4.527 -1.129 0.000 0.298 718 F C 1.427 177.033 175.800 -0.323 0.000 1.104 718 F CA 3.339 60.933 58.000 -0.678 0.000 1.232 718 F CB 0.328 38.976 39.000 -0.587 0.000 0.987 718 F HN -0.830 7.590 8.300 0.200 0.000 0.475 719 V N -1.575 118.304 119.914 -0.058 0.000 2.343 719 V HA -0.588 3.624 4.120 0.154 0.000 0.247 719 V C 1.763 177.800 176.094 -0.096 0.000 1.051 719 V CA 4.521 66.815 62.300 -0.010 0.000 1.036 719 V CB -0.825 30.956 31.823 -0.070 0.000 0.654 719 V HN -0.046 8.180 8.190 0.059 0.000 0.451 720 K N 0.608 120.941 120.400 -0.112 0.000 2.057 720 K HA -0.290 3.957 4.320 -0.123 0.000 0.207 720 K C 2.431 178.925 176.600 -0.176 0.000 1.049 720 K CA 2.957 59.172 56.287 -0.120 0.000 0.931 720 K CB -0.680 31.785 32.500 -0.059 0.000 0.714 720 K HN -0.587 7.619 8.250 -0.074 0.000 0.440 721 I N -0.311 120.094 120.570 -0.274 0.000 2.163 721 I HA -0.545 3.469 4.170 -0.261 0.000 0.243 721 I C 1.874 177.776 176.117 -0.359 0.000 1.085 721 I CA 4.648 65.729 61.300 -0.364 0.000 1.347 721 I CB -0.036 37.566 38.000 -0.662 0.000 1.044 721 I HN -0.354 7.678 8.210 -0.296 0.000 0.408 722 I N -0.829 119.466 120.570 -0.459 0.000 2.252 722 I HA -0.628 3.275 4.170 -0.446 0.000 0.245 722 I C 1.762 177.742 176.117 -0.229 0.000 1.102 722 I CA 4.426 65.454 61.300 -0.453 0.000 1.385 722 I CB -0.397 37.142 38.000 -0.768 0.000 1.064 722 I HN -0.554 7.341 8.210 -0.524 0.000 0.414 723 K N -0.554 119.751 120.400 -0.160 0.000 2.057 723 K HA -0.459 3.813 4.320 -0.079 0.000 0.207 723 K C 2.472 179.068 176.600 -0.007 0.000 1.049 723 K CA 4.227 60.421 56.287 -0.154 0.000 0.931 723 K CB -0.332 31.916 32.500 -0.419 0.000 0.714 723 K HN -0.092 8.061 8.250 -0.161 0.000 0.440 724 T N 0.881 115.403 114.554 -0.054 0.000 2.720 724 T HA -0.311 4.049 4.350 0.017 0.000 0.268 724 T C 2.012 176.718 174.700 0.010 0.000 1.037 724 T CA 4.790 66.883 62.100 -0.012 0.000 1.144 724 T CB -0.476 68.372 68.868 -0.034 0.000 0.864 724 T HN -0.265 7.916 8.240 -0.099 0.000 0.444 725 E N 0.651 120.837 120.200 -0.022 0.000 2.107 725 E HA -0.198 4.172 4.350 0.032 0.000 0.191 725 E C 2.551 179.174 176.600 0.039 0.000 0.982 725 E CA 2.739 59.144 56.400 0.010 0.000 0.809 725 E CB -0.510 29.180 29.700 -0.017 0.000 0.756 725 E HN -0.612 7.707 8.360 -0.069 0.000 0.459 726 V N 0.656 120.596 119.914 0.043 0.000 2.343 726 V HA -0.414 3.827 4.120 0.063 -0.084 0.247 726 V C 2.249 178.398 176.094 0.093 0.000 1.051 726 V CA 4.181 66.533 62.300 0.087 0.000 1.036 726 V CB -0.768 31.163 31.823 0.180 0.000 0.654 726 V HN 0.011 8.216 8.190 0.025 0.000 0.451 727 M N -0.516 119.155 119.600 0.118 0.000 2.117 727 M HA -0.370 4.159 4.480 0.082 0.000 0.262 727 M C 2.952 179.285 176.300 0.055 0.000 1.065 727 M CA 4.216 59.571 55.300 0.092 0.000 1.114 727 M CB -0.093 32.574 32.600 0.110 0.000 1.361 727 M HN -0.081 8.291 8.290 0.137 0.000 0.408 728 N N -1.549 117.181 118.700 0.050 0.000 2.290 728 N HA -0.068 4.694 4.740 0.035 0.000 0.179 728 N C 1.549 177.076 175.510 0.028 0.000 1.016 728 N CA 2.171 55.244 53.050 0.038 0.000 0.871 728 N CB 0.152 38.663 38.487 0.040 0.000 0.987 728 N HN -0.301 8.111 8.380 0.053 0.000 0.431 729 K N -3.857 116.562 120.400 0.031 0.000 2.360 729 K HA 0.126 4.435 4.320 -0.018 0.000 0.196 729 K C -0.224 176.361 176.600 -0.024 0.000 1.049 729 K CA -0.186 56.102 56.287 0.001 0.000 1.049 729 K CB 1.827 34.346 32.500 0.031 0.000 0.881 729 K HN 0.006 8.177 8.250 0.046 0.107 0.542 730 G N -1.232 107.573 108.800 0.007 0.000 2.217 730 G HA2 -0.373 3.559 3.960 -0.047 0.000 0.246 730 G HA3 -0.373 3.641 3.960 0.000 -0.053 0.246 730 G C -1.346 173.575 174.900 0.035 0.000 0.990 730 G CA 0.605 45.701 45.100 -0.006 0.000 0.627 730 G HN 0.042 8.348 8.290 0.026 0.000 0.522 731 S N -2.774 112.976 115.700 0.084 0.000 2.645 731 S HA 0.527 5.200 4.470 0.078 -0.156 0.268 731 S C -2.006 172.641 174.600 0.078 0.000 1.110 731 S CA -0.519 57.750 58.200 0.116 0.000 0.823 731 S CB 2.748 66.079 63.200 0.220 0.000 1.091 731 S HN -0.946 7.355 8.310 0.096 0.067 0.466 732 V N -6.165 113.670 119.914 -0.133 0.000 3.074 732 V HA 0.431 4.145 4.120 -0.676 0.000 0.314 732 V C -1.562 174.244 176.094 -0.480 0.000 1.117 732 V CA -3.055 58.992 62.300 -0.423 0.000 1.014 732 V CB 2.834 34.440 31.823 -0.362 0.000 1.057 732 V HN -0.001 8.106 8.190 -0.138 0.000 0.438 733 I N 0.397 120.566 120.570 -0.668 0.000 2.474 733 I HA 0.133 4.172 4.170 -0.434 -0.129 0.287 733 I C -1.068 174.834 176.117 -0.358 0.000 1.048 733 I CA 0.042 61.045 61.300 -0.495 0.000 1.383 733 I CB 0.430 38.103 38.000 -0.545 0.000 1.412 733 I HN -0.241 7.438 8.210 -0.884 0.000 0.531 734 A N 6.050 128.666 122.820 -0.341 0.000 2.435 734 A HA 0.699 5.090 4.320 -0.146 -0.159 0.304 734 A C -2.063 175.350 177.584 -0.285 0.000 1.064 734 A CA -2.089 49.807 52.037 -0.234 0.000 0.727 734 A CB 4.057 22.916 19.000 -0.235 0.000 1.284 734 A HN 0.568 8.385 8.150 -0.381 0.104 0.415 735 Y N 1.337 121.586 120.300 -0.084 0.000 2.360 735 Y HA 0.695 5.336 4.550 -0.127 -0.167 0.337 735 Y C -0.747 175.094 175.900 -0.099 0.000 1.039 735 Y CA -0.501 57.547 58.100 -0.087 0.000 1.109 735 Y CB 2.811 41.236 38.460 -0.057 0.000 1.201 735 Y HN -0.018 8.359 8.280 0.161 0.000 0.458 736 I N -5.301 115.260 120.570 -0.016 0.000 3.174 736 I HA 0.593 4.643 4.170 -0.200 0.000 0.313 736 I C -2.233 173.843 176.117 -0.068 0.000 1.155 736 I CA -2.972 58.227 61.300 -0.168 0.000 0.977 736 I CB 4.431 42.193 38.000 -0.395 0.000 1.248 736 I HN 0.583 8.779 8.210 -0.023 0.000 0.453 737 K N 0.590 120.916 120.400 -0.124 0.000 2.248 737 K HA 0.215 4.703 4.320 -0.017 -0.178 0.281 737 K C 1.009 177.584 176.600 -0.041 0.000 1.054 737 K CA -0.877 55.378 56.287 -0.053 0.000 0.903 737 K CB 0.889 33.358 32.500 -0.052 0.000 1.077 737 K HN 0.263 8.396 8.250 -0.195 0.000 0.474 738 A N 7.648 130.458 122.820 -0.017 0.000 1.940 738 A HA -0.353 3.884 4.320 -0.139 0.000 0.219 738 A C 1.264 178.828 177.584 -0.032 0.000 1.176 738 A CA 3.734 55.731 52.037 -0.067 0.000 0.631 738 A CB -0.159 18.791 19.000 -0.083 0.000 0.814 738 A HN 0.632 9.148 8.150 0.017 -0.356 0.446 739 E N -2.117 118.070 120.200 -0.021 0.000 2.171 739 E HA -0.343 3.996 4.350 -0.018 0.000 0.197 739 E C 1.784 178.378 176.600 -0.010 0.000 0.997 739 E CA 2.440 58.833 56.400 -0.011 0.000 0.810 739 E CB -0.916 28.785 29.700 0.003 0.000 0.738 739 E HN 0.280 8.618 8.360 -0.018 0.011 0.467 740 N N -0.948 117.758 118.700 0.010 0.000 2.453 740 N HA -0.167 4.638 4.740 0.109 0.000 0.183 740 N C 1.423 176.818 175.510 -0.191 0.000 1.041 740 N CA 2.210 55.307 53.050 0.078 0.000 0.900 740 N CB 0.128 38.783 38.487 0.280 0.000 0.961 740 N HN -0.198 8.065 8.380 0.011 0.124 0.443 741 V N -7.313 112.338 119.914 -0.438 0.000 3.376 741 V HA 0.256 2.725 4.120 -2.752 0.000 0.313 741 V C -0.317 175.475 176.094 -0.502 0.000 1.393 741 V CA -0.547 61.013 62.300 -1.234 0.000 1.125 741 V CB -0.165 31.118 31.823 -0.900 0.000 1.037 741 V HN -0.556 7.452 8.190 -0.244 0.035 0.440 742 M N -0.518 118.985 119.600 -0.162 0.000 2.495 742 M HA -0.007 4.548 4.480 0.124 0.000 0.237 742 M C 0.426 176.789 176.300 0.105 0.000 1.131 742 M CA 0.958 56.284 55.300 0.042 0.000 1.032 742 M CB -0.039 32.568 32.600 0.013 0.000 1.513 742 M HN -0.806 7.231 8.290 -0.156 0.159 0.488 743 G N -2.104 106.778 108.800 0.136 0.000 2.491 743 G HA2 -0.129 4.013 3.960 0.302 0.000 0.238 743 G HA3 -0.129 3.951 3.960 0.199 0.000 0.238 743 G C 0.501 175.562 174.900 0.269 0.000 1.277 743 G CA -0.482 44.763 45.100 0.242 0.000 0.851 743 G HN -0.747 7.536 8.290 0.069 0.049 0.573 744 Y N 4.985 125.356 120.300 0.118 0.000 2.228 744 Y HA -0.461 4.134 4.550 0.075 0.000 0.285 744 Y C 1.375 177.319 175.900 0.073 0.000 1.178 744 Y CA 3.276 61.425 58.100 0.081 0.000 1.202 744 Y CB 0.364 38.852 38.460 0.048 0.000 0.974 744 Y HN 0.589 9.076 8.280 0.345 0.000 0.527 745 E N -1.968 118.281 120.200 0.081 0.000 2.409 745 E HA -0.287 3.963 4.350 -0.167 0.000 0.198 745 E C 1.085 177.570 176.600 -0.192 0.000 1.024 745 E CA 2.396 58.753 56.400 -0.071 0.000 0.861 745 E CB -1.159 28.552 29.700 0.019 0.000 0.788 745 E HN 0.467 8.933 8.360 0.229 0.031 0.521 746 F N -1.069 118.747 119.950 -0.223 0.000 2.748 746 F HA -0.251 4.106 4.527 -0.284 0.000 0.299 746 F C 1.025 176.527 175.800 -0.497 0.000 1.154 746 F CA 2.524 60.334 58.000 -0.317 0.000 1.446 746 F CB 0.093 38.947 39.000 -0.242 0.000 1.112 746 F HN -0.490 7.904 8.300 0.236 0.047 0.584 747 S N -1.283 114.209 115.700 -0.347 0.000 2.561 747 S HA -0.073 4.115 4.470 -0.470 0.000 0.225 747 S C 0.782 175.189 174.600 -0.320 0.000 0.977 747 S CA 1.313 59.273 58.200 -0.401 0.000 0.926 747 S CB -0.291 62.673 63.200 -0.394 0.000 0.769 747 S HN -0.726 7.334 8.310 -0.341 0.046 0.533 748 G N 0.130 108.750 108.800 -0.301 0.000 2.535 748 G HA2 0.180 4.009 3.960 -0.218 0.000 0.282 748 G HA3 0.180 4.022 3.960 -0.196 0.000 0.282 748 G C -0.632 174.146 174.900 -0.203 0.000 1.350 748 G CA -0.748 44.216 45.100 -0.227 0.000 1.039 748 G HN -0.851 7.199 8.290 -0.323 0.046 0.509 749 K N -1.836 118.465 120.400 -0.165 0.000 2.358 749 K HA 0.078 4.305 4.320 -0.155 0.000 0.200 749 K C -0.187 176.300 176.600 -0.188 0.000 1.030 749 K CA -0.353 55.840 56.287 -0.156 0.000 1.097 749 K CB 0.235 32.664 32.500 -0.119 0.000 0.862 749 K HN 0.148 8.310 8.250 -0.147 0.000 0.534 750 K N 0.711 120.995 120.400 -0.193 0.000 2.336 750 K HA -0.070 4.145 4.320 -0.174 0.000 0.262 750 K C -0.554 175.880 176.600 -0.276 0.000 0.992 750 K CA 0.061 56.228 56.287 -0.200 0.000 0.927 750 K CB 0.983 33.384 32.500 -0.165 0.000 0.956 750 K HN -0.497 7.583 8.250 -0.189 0.057 0.495 751 V N 4.033 123.756 119.914 -0.319 0.000 2.470 751 V HA -0.227 3.786 4.120 -0.398 -0.132 0.276 751 V C 0.090 176.030 176.094 -0.256 0.000 1.040 751 V CA 0.337 62.397 62.300 -0.401 0.000 1.008 751 V CB 0.175 31.529 31.823 -0.782 0.000 0.990 751 V HN 0.316 8.335 8.190 -0.285 0.000 0.477 752 K N 7.009 127.238 120.400 -0.285 0.000 2.258 752 K HA -0.025 4.096 4.320 -0.332 0.000 0.264 752 K C -1.411 175.109 176.600 -0.134 0.000 1.007 752 K CA -1.573 54.518 56.287 -0.326 0.000 0.941 752 K CB 0.988 33.080 32.500 -0.679 0.000 0.966 752 K HN 0.242 8.327 8.250 -0.275 0.000 0.480 753 N N -0.239 118.424 118.700 -0.061 0.000 2.558 753 N HA 0.164 4.938 4.740 0.057 0.000 0.285 753 N C -1.761 173.799 175.510 0.083 0.000 1.112 753 N CA -0.311 52.766 53.050 0.044 0.000 0.857 753 N CB 0.718 39.258 38.487 0.088 0.000 1.376 753 N HN 0.104 8.439 8.380 -0.075 0.000 0.526 754 L N -1.945 119.350 121.223 0.120 0.000 2.892 754 L HA 0.411 4.854 4.340 0.172 0.000 0.269 754 L C -2.301 174.719 176.870 0.249 0.000 1.058 754 L CA -1.043 53.910 54.840 0.188 0.000 0.923 754 L CB 1.525 43.729 42.059 0.242 0.000 1.518 754 L HN -0.530 7.769 8.230 0.116 0.000 0.402 755 c N -0.867 117.884 118.600 0.253 0.000 2.443 755 c HA 0.351 5.075 4.570 0.256 0.000 0.369 755 c C 0.612 174.934 174.090 0.386 0.000 1.241 755 c CA -0.326 56.167 56.329 0.275 0.000 2.413 755 c CB 0.240 42.876 42.510 0.210 0.000 2.451 755 c HN 0.143 8.516 8.230 0.238 0.000 0.595 756 G N 0.628 109.657 108.800 0.383 0.000 2.532 756 G HA2 0.349 4.665 3.960 0.259 0.000 0.291 756 G HA3 0.349 4.474 3.960 0.274 0.000 0.291 756 G C -1.970 173.103 174.900 0.287 0.000 1.349 756 G CA -0.749 44.532 45.100 0.301 0.000 1.038 756 G HN 0.132 8.586 8.290 0.376 0.062 0.518 757 D N -2.074 118.385 120.400 0.099 0.000 2.525 757 D HA 0.114 4.783 4.640 0.049 0.000 0.249 757 D C -0.925 174.976 176.300 -0.665 0.000 1.072 757 D CA -0.862 53.082 54.000 -0.092 0.000 1.067 757 D CB 3.139 43.897 40.800 -0.071 0.000 1.282 757 D HN -0.058 8.340 8.370 0.047 0.000 0.587 758 D N -1.879 117.905 120.400 -1.027 0.000 2.178 758 D HA -0.110 3.211 4.640 -2.198 0.000 0.201 758 D C -0.172 175.867 176.300 -0.434 0.000 0.980 758 D CA 2.348 55.627 54.000 -1.202 0.000 0.842 758 D CB 0.490 40.939 40.800 -0.586 0.000 0.948 758 D HN -0.028 7.936 8.370 -0.676 0.000 0.472 759 T N -6.705 107.672 114.554 -0.296 0.000 2.831 759 T HA 0.126 4.266 4.350 -0.349 0.000 0.287 759 T C -2.241 172.248 174.700 -0.352 0.000 1.070 759 T CA -1.846 60.073 62.100 -0.302 0.000 1.010 759 T CB 3.234 71.962 68.868 -0.233 0.000 1.264 759 T HN -0.647 7.393 8.240 -0.293 0.025 0.532 760 A N -2.297 120.230 122.820 -0.488 0.000 2.532 760 A HA 0.159 4.376 4.320 -0.172 0.000 0.290 760 A C -1.969 175.527 177.584 -0.146 0.000 1.143 760 A CA -0.795 51.074 52.037 -0.280 0.000 0.728 760 A CB 2.832 21.664 19.000 -0.281 0.000 1.317 760 A HN -0.059 7.746 8.150 -0.575 0.000 0.414 761 D N -3.047 117.383 120.400 0.050 0.000 2.583 761 D HA 0.094 4.771 4.640 0.062 0.000 0.282 761 D C -1.043 175.433 176.300 0.293 0.000 1.485 761 D CA -0.074 53.995 54.000 0.116 0.000 0.834 761 D CB 2.190 43.018 40.800 0.046 0.000 1.258 761 D HN 0.377 8.805 8.370 0.096 0.000 0.470 762 H N -1.351 117.832 119.070 0.188 0.000 2.966 762 H HA 0.260 4.849 4.556 0.054 0.000 0.347 762 H C -2.461 172.686 175.328 -0.302 0.000 1.048 762 H CA -0.283 55.766 56.048 0.001 0.000 1.295 762 H CB 3.016 32.747 29.762 -0.051 0.000 1.744 762 H HN -0.620 7.886 8.280 0.377 0.000 0.513 763 A N 8.212 130.475 122.820 -0.929 0.000 2.301 763 A HA 0.820 4.495 4.320 -1.364 -0.173 0.298 763 A C -1.416 175.640 177.584 -0.880 0.000 1.185 763 A CA -1.276 50.083 52.037 -1.130 0.000 0.830 763 A CB 1.669 20.082 19.000 -0.978 0.000 1.112 763 A HN 0.138 7.825 8.150 -0.771 0.000 0.508 764 V N -2.008 117.526 119.914 -0.633 0.000 3.105 764 V HA 0.551 4.370 4.120 -0.501 0.000 0.311 764 V C -2.148 173.722 176.094 -0.374 0.000 1.282 764 V CA -3.408 58.617 62.300 -0.458 0.000 1.065 764 V CB 2.716 34.372 31.823 -0.279 0.000 1.136 764 V HN 0.724 8.553 8.190 -0.602 0.000 0.469 765 N N -1.568 116.946 118.700 -0.310 0.000 2.258 765 N HA 0.574 5.311 4.740 -0.257 -0.152 0.299 765 N C -1.137 174.256 175.510 -0.195 0.000 1.047 765 N CA -0.557 52.351 53.050 -0.237 0.000 0.814 765 N CB 3.988 42.388 38.487 -0.146 0.000 1.413 765 N HN -0.277 7.915 8.380 -0.312 0.000 0.478 766 I N 2.758 123.199 120.570 -0.215 0.000 2.371 766 I HA 0.153 4.379 4.170 -0.156 -0.150 0.290 766 I C -0.150 175.929 176.117 -0.063 0.000 1.028 766 I CA 0.801 61.981 61.300 -0.200 0.000 1.345 766 I CB 0.505 38.230 38.000 -0.458 0.000 1.407 766 I HN 0.124 8.178 8.210 -0.258 0.000 0.501 767 V N 0.098 120.024 119.914 0.021 0.000 3.432 767 V HA 0.632 4.806 4.120 0.091 0.000 0.298 767 V C -1.309 174.790 176.094 0.010 0.000 1.464 767 V CA -2.150 60.191 62.300 0.070 0.000 1.046 767 V CB 1.933 33.839 31.823 0.137 0.000 0.887 767 V HN 0.468 8.673 8.190 0.026 0.000 0.441 768 G N -1.719 107.108 108.800 0.044 0.000 2.340 768 G HA2 0.407 4.322 3.960 -0.244 0.000 0.299 768 G HA3 0.407 4.155 3.960 -0.343 0.007 0.299 768 G C -3.144 171.795 174.900 0.065 0.000 1.291 768 G CA 0.907 45.915 45.100 -0.153 0.000 0.841 768 G HN -0.918 7.452 8.290 0.133 0.000 0.500 769 Y N -5.950 114.283 120.300 -0.112 0.000 2.774 769 Y HA 0.783 5.293 4.550 -0.309 -0.146 0.346 769 Y C -2.388 173.131 175.900 -0.634 0.000 1.222 769 Y CA -1.074 56.840 58.100 -0.310 0.000 1.088 769 Y CB 1.754 40.092 38.460 -0.204 0.000 1.354 769 Y HN 0.384 8.197 8.280 -0.779 0.000 0.455 770 G N -3.373 104.867 108.800 -0.935 0.000 2.495 770 G HA2 0.038 3.713 3.960 -0.474 0.000 0.294 770 G HA3 0.038 4.098 3.960 -0.114 -0.169 0.294 770 G C -3.229 171.356 174.900 -0.525 0.000 1.397 770 G CA 0.137 44.886 45.100 -0.584 0.000 0.790 770 G HN -0.241 7.301 8.290 -1.246 0.000 0.486 771 N N -1.265 117.427 118.700 -0.012 0.000 2.466 771 N HA 0.617 5.562 4.740 0.135 -0.125 0.294 771 N C -0.936 174.820 175.510 0.410 0.000 1.129 771 N CA -0.702 52.437 53.050 0.148 0.000 0.931 771 N CB 2.735 41.273 38.487 0.085 0.000 1.193 771 N HN 0.119 8.564 8.380 0.107 0.000 0.500 772 Y N -3.203 117.197 120.300 0.167 0.000 2.725 772 Y HA 0.313 4.946 4.550 0.139 0.000 0.333 772 Y C -2.788 173.161 175.900 0.083 0.000 1.242 772 Y CA -1.074 57.123 58.100 0.163 0.000 1.059 772 Y CB 1.773 40.372 38.460 0.232 0.000 1.306 772 Y HN 0.297 8.766 8.280 0.316 0.000 0.454 773 V N 0.788 120.563 119.914 -0.232 0.000 2.495 773 V HA 0.387 4.420 4.120 -0.446 -0.181 0.298 773 V C -0.349 175.518 176.094 -0.379 0.000 1.031 773 V CA -1.337 60.753 62.300 -0.350 0.000 0.871 773 V CB 1.817 33.569 31.823 -0.119 0.000 0.988 773 V HN 0.127 8.338 8.190 0.035 0.000 0.432 774 N N 6.325 124.756 118.700 -0.449 0.000 2.364 774 N HA 0.045 4.822 4.740 0.062 0.000 0.264 774 N C 1.546 177.043 175.510 -0.021 0.000 1.263 774 N CA -0.478 52.490 53.050 -0.136 0.000 0.959 774 N CB 1.060 39.490 38.487 -0.094 0.000 1.204 774 N HN 0.047 8.148 8.380 -0.466 0.000 0.550 775 S N -0.785 114.938 115.700 0.037 0.000 2.507 775 S HA -0.185 4.298 4.470 0.023 0.000 0.235 775 S C 0.453 175.056 174.600 0.006 0.000 0.988 775 S CA 2.402 60.617 58.200 0.025 0.000 0.944 775 S CB -0.715 62.506 63.200 0.034 0.000 0.762 775 S HN 0.304 8.654 8.310 0.067 0.000 0.526 776 E N 0.767 120.964 120.200 -0.004 0.000 2.479 776 E HA 0.101 4.449 4.350 -0.003 0.000 0.193 776 E C 0.414 176.997 176.600 -0.028 0.000 1.049 776 E CA -0.698 55.696 56.400 -0.010 0.000 0.870 776 E CB -0.676 29.022 29.700 -0.004 0.000 0.944 776 E HN -0.551 7.947 8.360 -0.006 -0.141 0.492 777 G N -0.539 108.235 108.800 -0.042 0.000 2.143 777 G HA2 -0.417 3.520 3.960 -0.039 0.000 0.248 777 G HA3 -0.417 3.511 3.960 -0.053 0.000 0.248 777 G C -0.415 174.441 174.900 -0.074 0.000 0.991 777 G CA 0.149 45.218 45.100 -0.052 0.000 0.689 777 G HN -0.065 8.061 8.290 -0.044 0.137 0.522 778 E N 0.547 120.686 120.200 -0.101 0.000 2.191 778 E HA 0.151 4.444 4.350 -0.095 0.000 0.278 778 E C -0.493 175.995 176.600 -0.186 0.000 0.972 778 E CA -1.634 54.696 56.400 -0.117 0.000 0.804 778 E CB 1.568 31.210 29.700 -0.097 0.000 1.110 778 E HN -0.312 8.281 8.360 -0.105 -0.296 0.394 779 K N 3.999 124.308 120.400 -0.153 0.000 2.416 779 K HA -0.111 4.219 4.320 -0.203 -0.132 0.283 779 K C -0.206 176.278 176.600 -0.194 0.000 1.037 779 K CA 1.358 57.543 56.287 -0.171 0.000 0.995 779 K CB 0.280 32.716 32.500 -0.106 0.000 0.938 779 K HN 0.342 8.521 8.250 -0.119 0.000 0.475 780 K N 2.586 122.825 120.400 -0.268 0.000 2.318 780 K HA 0.423 4.695 4.320 -0.080 0.000 0.265 780 K C -2.315 174.322 176.600 0.062 0.000 1.055 780 K CA -2.663 53.533 56.287 -0.152 0.000 0.896 780 K CB 4.788 37.137 32.500 -0.252 0.000 1.479 780 K HN 0.697 8.742 8.250 -0.342 0.000 0.449 781 S N -2.347 113.492 115.700 0.232 0.000 2.632 781 S HA 0.863 5.586 4.470 0.224 -0.118 0.289 781 S C -1.191 173.512 174.600 0.172 0.000 1.115 781 S CA -0.986 57.313 58.200 0.165 0.000 0.889 781 S CB 3.726 66.883 63.200 -0.072 0.000 1.116 781 S HN 0.094 8.551 8.310 0.245 0.000 0.486 782 Y N -3.741 116.526 120.300 -0.055 0.000 2.545 782 Y HA 0.669 5.255 4.550 -0.203 -0.157 0.348 782 Y C -2.024 173.737 175.900 -0.232 0.000 1.002 782 Y CA -2.826 55.157 58.100 -0.194 0.000 1.039 782 Y CB 2.424 40.722 38.460 -0.270 0.000 1.271 782 Y HN 0.423 8.383 8.280 -0.534 0.000 0.467 783 W N -1.160 120.240 121.300 0.167 0.000 2.316 783 W HA 0.210 5.058 4.660 0.095 -0.132 0.321 783 W C -0.101 176.495 176.519 0.129 0.000 1.203 783 W CA -1.626 55.784 57.345 0.108 0.000 1.214 783 W CB 1.947 31.436 29.460 0.050 0.000 1.169 783 W HN 0.325 8.555 8.180 0.084 0.000 0.561 784 I N 1.769 122.550 120.570 0.352 0.000 2.315 784 I HA 0.277 4.624 4.170 0.051 -0.147 0.291 784 I C -0.928 175.189 176.117 -0.001 0.000 1.006 784 I CA -0.300 61.068 61.300 0.113 0.000 1.265 784 I CB 0.731 38.763 38.000 0.055 0.000 1.387 784 I HN 0.386 8.704 8.210 0.380 0.120 0.475 785 V N 7.226 127.007 119.914 -0.221 0.000 2.540 785 V HA 0.655 4.850 4.120 -0.194 -0.192 0.302 785 V C -1.773 174.222 176.094 -0.165 0.000 1.035 785 V CA -1.833 60.262 62.300 -0.342 0.000 0.873 785 V CB 2.933 34.253 31.823 -0.837 0.000 0.992 785 V HN 0.803 8.795 8.190 -0.331 0.000 0.428 786 R N 6.055 126.474 120.500 -0.136 0.000 2.312 786 R HA 0.250 4.300 4.340 -0.482 0.000 0.311 786 R C -1.865 174.211 176.300 -0.374 0.000 1.004 786 R CA -0.860 55.026 56.100 -0.357 0.000 0.902 786 R CB 2.165 32.156 30.300 -0.515 0.000 1.073 786 R HN 0.504 8.677 8.270 -0.162 0.000 0.457 787 N N 6.074 124.548 118.700 -0.377 0.000 2.525 787 N HA 0.210 4.646 4.740 -0.507 0.000 0.288 787 N C -1.469 173.721 175.510 -0.534 0.000 1.242 787 N CA -1.260 51.497 53.050 -0.489 0.000 0.905 787 N CB 3.523 41.620 38.487 -0.650 0.000 1.258 787 N HN -0.174 7.981 8.380 -0.374 0.000 0.551 788 S N -1.034 114.299 115.700 -0.612 0.000 2.592 788 S HA 0.263 4.569 4.470 -0.463 -0.114 0.243 788 S C -0.522 173.911 174.600 -0.278 0.000 1.160 788 S CA -0.813 57.084 58.200 -0.506 0.000 1.145 788 S CB -0.045 62.785 63.200 -0.617 0.000 0.909 788 S HN 0.454 8.297 8.310 -0.779 0.000 0.487 789 W N 1.745 122.823 121.300 -0.371 0.000 3.067 789 W HA 0.320 4.783 4.660 -0.328 0.000 0.417 789 W C 0.318 176.763 176.519 -0.124 0.000 1.029 789 W CA -2.320 54.835 57.345 -0.317 0.000 1.992 789 W CB -1.125 28.016 29.460 -0.533 0.000 1.122 789 W HN 0.091 8.122 8.180 -0.249 0.000 0.681 790 G N -0.632 108.194 108.800 0.043 0.000 2.746 790 G HA2 -0.287 3.734 3.960 0.103 0.000 0.685 790 G HA3 -0.287 3.716 3.960 -0.026 -0.059 0.685 790 G C -2.249 172.669 174.900 0.031 0.000 1.350 790 G CA -0.555 44.569 45.100 0.040 0.000 0.837 790 G HN -0.477 7.708 8.290 -0.065 0.066 0.564 791 P HA 0.061 4.390 4.420 -0.153 0.000 0.245 791 P C -0.671 176.401 177.300 -0.381 0.000 1.212 791 P CA 0.895 63.829 63.100 -0.277 0.000 0.774 791 P CB 0.411 31.852 31.700 -0.431 0.000 0.999 792 Y N -4.810 115.563 120.300 0.121 0.000 2.458 792 Y HA 0.043 4.632 4.550 0.065 0.000 0.256 792 Y C -0.828 175.151 175.900 0.132 0.000 1.159 792 Y CA -0.286 57.872 58.100 0.098 0.000 1.261 792 Y CB -0.410 38.095 38.460 0.075 0.000 1.119 792 Y HN -0.268 7.996 8.280 0.064 0.054 0.524 793 W N 0.986 122.366 121.300 0.133 0.000 2.376 793 W HA 0.104 4.852 4.660 0.147 0.000 0.322 793 W C -0.240 176.348 176.519 0.115 0.000 1.160 793 W CA 0.931 58.363 57.345 0.146 0.000 1.218 793 W CB 1.661 31.256 29.460 0.226 0.000 1.205 793 W HN -0.902 7.473 8.180 0.399 0.045 0.559 794 G N 6.834 114.930 108.800 -1.172 0.000 2.556 794 G HA2 -0.587 2.611 3.960 -1.270 0.000 0.283 794 G HA3 -0.587 2.899 3.960 -1.202 -0.248 0.283 794 G C -1.390 173.280 174.900 -0.383 0.000 1.177 794 G CA 0.558 44.996 45.100 -1.103 0.000 0.978 794 G HN 0.159 7.612 8.290 -1.395 0.000 0.554 795 D N 6.224 126.527 120.400 -0.163 0.000 2.493 795 D HA 0.193 4.785 4.640 -0.081 0.000 0.235 795 D C -0.143 176.196 176.300 0.065 0.000 1.117 795 D CA -1.456 52.516 54.000 -0.046 0.000 0.930 795 D CB -0.629 40.154 40.800 -0.028 0.000 1.010 795 D HN -0.085 8.226 8.370 -0.099 0.000 0.514 796 E N 1.427 121.646 120.200 0.032 0.000 2.722 796 E HA -0.457 4.088 4.350 -0.026 -0.211 0.265 796 E C -0.088 176.578 176.600 0.109 0.000 1.081 796 E CA 0.881 57.311 56.400 0.050 0.000 0.781 796 E CB -1.973 27.770 29.700 0.072 0.000 1.372 796 E HN 0.704 9.061 8.360 -0.007 0.000 0.423 797 G N -6.137 102.735 108.800 0.119 0.000 2.195 797 G HA2 -0.381 3.523 3.960 -0.093 0.000 0.224 797 G HA3 -0.381 3.919 3.960 0.262 -0.183 0.224 797 G C -1.397 173.514 174.900 0.018 0.000 0.990 797 G CA 0.241 45.392 45.100 0.084 0.000 0.639 797 G HN 0.426 8.755 8.290 0.122 0.033 0.514 798 Y N -0.587 119.822 120.300 0.181 0.000 2.650 798 Y HA 0.965 5.761 4.550 0.196 -0.129 0.331 798 Y C -1.671 174.402 175.900 0.289 0.000 1.082 798 Y CA -1.343 56.858 58.100 0.169 0.000 1.171 798 Y CB 3.676 42.136 38.460 -0.000 0.000 1.326 798 Y HN -0.709 7.612 8.280 0.351 0.169 0.513 799 F N -6.670 113.436 119.950 0.260 0.000 2.711 799 F HA 0.517 5.041 4.527 -0.004 0.000 0.313 799 F C -2.688 173.154 175.800 0.070 0.000 1.141 799 F CA -1.314 56.745 58.000 0.097 0.000 0.941 799 F CB 2.484 41.570 39.000 0.144 0.000 1.349 799 F HN 0.545 8.893 8.300 0.081 0.000 0.464 800 K N -0.365 120.055 120.400 0.034 0.000 2.221 800 K HA 0.938 5.427 4.320 -0.088 -0.222 0.258 800 K C -1.794 174.811 176.600 0.009 0.000 0.944 800 K CA -1.474 54.749 56.287 -0.105 0.000 0.823 800 K CB 3.033 35.292 32.500 -0.402 0.000 1.113 800 K HN 0.643 8.934 8.250 0.069 0.000 0.431 801 V N 2.580 122.528 119.914 0.057 0.000 2.808 801 V HA 0.384 4.657 4.120 -0.024 -0.168 0.308 801 V C -2.526 173.625 176.094 0.095 0.000 1.099 801 V CA -2.560 59.777 62.300 0.062 0.000 0.920 801 V CB 4.206 36.077 31.823 0.080 0.000 1.014 801 V HN 0.072 8.327 8.190 0.108 0.000 0.425 802 D N 8.176 128.621 120.400 0.076 0.000 2.493 802 D HA -0.067 4.881 4.640 0.198 -0.189 0.240 802 D C -0.167 176.209 176.300 0.127 0.000 1.142 802 D CA 1.595 55.692 54.000 0.161 0.000 0.872 802 D CB 1.056 41.990 40.800 0.225 0.000 1.173 802 D HN -0.029 8.366 8.370 0.041 0.000 0.467 803 M N 3.514 123.095 119.600 -0.032 0.000 2.086 803 M HA -0.372 3.942 4.480 -0.277 0.000 0.261 803 M C 1.880 178.152 176.300 -0.047 0.000 1.067 803 M CA 3.856 59.000 55.300 -0.261 0.000 1.116 803 M CB 0.561 32.736 32.600 -0.708 0.000 1.348 803 M HN -0.058 8.213 8.290 -0.031 0.000 0.407 804 Y N -5.575 114.769 120.300 0.073 0.000 2.503 804 Y HA -0.154 4.475 4.550 0.132 0.000 0.278 804 Y C 0.584 176.552 175.900 0.114 0.000 1.111 804 Y CA 0.606 58.765 58.100 0.098 0.000 1.270 804 Y CB 1.240 39.728 38.460 0.047 0.000 1.063 804 Y HN -0.859 7.756 8.280 0.306 -0.152 0.548 805 G N -0.589 108.360 108.800 0.249 0.000 2.806 805 G HA2 -0.315 3.757 3.960 0.187 0.000 0.236 805 G HA3 -0.315 3.924 3.960 0.176 -0.173 0.236 805 G C -2.783 172.193 174.900 0.127 0.000 1.387 805 G CA -0.965 44.246 45.100 0.184 0.000 0.884 805 G HN -0.510 8.198 8.290 0.249 -0.269 0.560 806 P HA 0.012 4.467 4.420 0.059 0.000 0.267 806 P C 0.543 177.818 177.300 -0.042 0.000 1.200 806 P CA -0.457 62.646 63.100 0.006 0.000 0.772 806 P CB 0.483 32.139 31.700 -0.074 0.000 0.855 807 T N 1.676 116.244 114.554 0.024 0.000 2.821 807 T HA -0.274 4.098 4.350 0.036 0.000 0.267 807 T C 0.418 175.139 174.700 0.034 0.000 1.046 807 T CA 3.079 65.202 62.100 0.040 0.000 1.139 807 T CB -0.098 68.810 68.868 0.066 0.000 0.871 807 T HN 0.246 8.525 8.240 0.066 0.000 0.454 808 H N -2.677 116.441 119.070 0.079 0.000 2.559 808 H HA 0.040 4.640 4.556 0.073 0.000 0.273 808 H C -0.183 175.225 175.328 0.132 0.000 1.000 808 H CA -0.335 55.767 56.048 0.090 0.000 1.195 808 H CB -0.337 29.477 29.762 0.087 0.000 1.368 808 H HN -0.351 7.962 8.280 0.086 0.019 0.592 809 c N 0.937 119.373 118.600 -0.273 0.000 2.633 809 c HA -0.103 4.429 4.570 -0.063 0.000 0.415 809 c C 0.869 174.978 174.090 0.031 0.000 1.393 809 c CA 0.978 57.245 56.329 -0.102 0.000 1.700 809 c CB -1.032 41.432 42.510 -0.076 0.000 2.541 809 c HN -0.575 7.392 8.230 -0.343 0.057 0.603 810 H N 3.091 122.030 119.070 -0.219 0.000 2.423 810 H HA -0.179 4.137 4.556 -0.401 0.000 0.297 810 H C 0.075 174.979 175.328 -0.707 0.000 1.075 810 H CA 1.389 57.100 56.048 -0.562 0.000 1.342 810 H CB 0.576 29.795 29.762 -0.905 0.000 1.395 810 H HN 0.271 8.675 8.280 0.206 0.000 0.530 811 F N -4.954 115.105 119.950 0.182 0.000 2.551 811 F HA 0.116 4.694 4.527 0.085 0.000 0.316 811 F C -1.301 174.571 175.800 0.121 0.000 1.089 811 F CA -1.794 56.279 58.000 0.121 0.000 0.915 811 F CB 2.380 41.458 39.000 0.130 0.000 1.186 811 F HN -0.612 7.716 8.300 0.077 0.018 0.456 812 N N 1.967 120.829 118.700 0.271 0.000 2.482 812 N HA -0.034 4.861 4.740 0.257 0.000 0.260 812 N C 0.868 176.571 175.510 0.322 0.000 1.236 812 N CA 0.139 53.341 53.050 0.253 0.000 0.938 812 N CB 2.015 40.602 38.487 0.167 0.000 1.128 812 N HN 0.515 9.031 8.380 0.227 0.000 0.448 813 F N 4.702 124.800 119.950 0.247 0.000 2.161 813 F HA -0.247 4.490 4.527 0.256 -0.056 0.300 813 F C -0.292 175.672 175.800 0.273 0.000 1.089 813 F CA 2.559 60.722 58.000 0.272 0.000 1.282 813 F CB 0.626 39.816 39.000 0.317 0.000 1.010 813 F HN 0.640 9.257 8.300 0.528 0.000 0.485 814 I N -1.027 119.717 120.570 0.291 0.000 2.363 814 I HA -0.202 3.977 4.170 0.014 0.000 0.292 814 I C 0.050 176.262 176.117 0.159 0.000 1.075 814 I CA -1.374 60.029 61.300 0.172 0.000 1.333 814 I CB -1.905 36.273 38.000 0.296 0.000 1.415 814 I HN -0.483 8.289 8.210 0.459 -0.287 0.502 815 H N 8.777 127.862 119.070 0.025 0.000 2.363 815 H HA -0.143 4.432 4.556 0.033 0.000 0.301 815 H C -0.568 174.822 175.328 0.104 0.000 1.074 815 H CA 3.036 59.107 56.048 0.039 0.000 1.354 815 H CB 2.060 31.821 29.762 -0.001 0.000 1.397 815 H HN 0.233 8.607 8.280 0.157 0.000 0.516 816 S N -6.942 108.920 115.700 0.270 0.000 2.595 816 S HA 0.611 5.389 4.470 0.313 -0.121 0.270 816 S C -1.965 172.785 174.600 0.251 0.000 1.145 816 S CA -1.044 57.331 58.200 0.292 0.000 0.825 816 S CB 3.261 66.653 63.200 0.320 0.000 1.107 816 S HN -0.820 7.670 8.310 0.301 0.000 0.461 817 V N -4.955 115.085 119.914 0.209 0.000 2.962 817 V HA 0.985 5.254 4.120 -0.020 -0.161 0.313 817 V C -2.296 173.839 176.094 0.069 0.000 1.099 817 V CA -2.901 59.417 62.300 0.030 0.000 0.971 817 V CB 3.529 35.251 31.823 -0.168 0.000 1.028 817 V HN 0.492 8.855 8.190 0.288 0.000 0.430 818 V N 1.558 121.435 119.914 -0.061 0.000 2.709 818 V HA 0.721 5.079 4.120 0.066 -0.198 0.308 818 V C -1.459 174.490 176.094 -0.240 0.000 1.062 818 V CA -1.905 60.366 62.300 -0.049 0.000 0.901 818 V CB 3.692 35.489 31.823 -0.043 0.000 1.003 818 V HN 0.240 8.328 8.190 -0.170 0.000 0.425 819 I N 4.525 125.071 120.570 -0.041 0.000 2.569 819 I HA 0.301 4.344 4.170 -0.212 0.000 0.296 819 I C -1.316 174.993 176.117 0.320 0.000 1.028 819 I CA -1.451 59.865 61.300 0.027 0.000 1.082 819 I CB 3.739 41.834 38.000 0.158 0.000 1.264 819 I HN 0.390 8.659 8.210 0.097 0.000 0.429 820 F N 5.014 125.221 119.950 0.428 0.000 2.404 820 F HA 0.362 5.172 4.527 0.259 -0.128 0.339 820 F C 0.080 175.985 175.800 0.175 0.000 1.105 820 F CA -3.024 55.141 58.000 0.274 0.000 1.087 820 F CB 0.932 40.074 39.000 0.236 0.000 1.143 820 F HN -0.111 8.658 8.300 0.782 0.000 0.491 821 N N 5.323 124.213 118.700 0.316 0.000 2.527 821 N HA 0.270 5.111 4.740 0.169 0.000 0.236 821 N C -1.857 173.724 175.510 0.118 0.000 0.999 821 N CA -0.542 52.609 53.050 0.167 0.000 0.935 821 N CB 0.472 39.018 38.487 0.098 0.000 1.132 821 N HN 0.337 8.901 8.380 0.306 0.000 0.511 822 V N -2.277 117.720 119.914 0.139 0.000 2.962 822 V HA 0.604 4.935 4.120 0.145 -0.124 0.313 822 V C -1.684 174.467 176.094 0.096 0.000 1.099 822 V CA -2.668 59.727 62.300 0.159 0.000 0.971 822 V CB 3.155 35.156 31.823 0.296 0.000 1.028 822 V HN -0.082 8.191 8.190 0.138 0.000 0.430 823 D N 4.674 125.109 120.400 0.058 0.000 2.303 823 D HA 0.369 5.018 4.640 0.015 0.000 0.236 823 D C -2.269 173.994 176.300 -0.061 0.000 1.068 823 D CA -0.586 53.415 54.000 0.001 0.000 0.830 823 D CB 2.738 43.528 40.800 -0.016 0.000 1.109 823 D HN 0.264 8.675 8.370 0.068 0.000 0.496 824 L N 6.554 127.756 121.223 -0.036 0.000 2.476 824 L HA 0.642 4.892 4.340 -0.151 0.000 0.269 824 L C -2.665 174.216 176.870 0.020 0.000 0.965 824 L CA -2.809 51.994 54.840 -0.061 0.000 0.845 824 L CB 3.629 45.669 42.059 -0.031 0.000 1.259 824 L HN 0.118 8.347 8.230 -0.002 0.000 0.403 825 P HA 0.064 4.495 4.420 0.019 0.000 0.268 825 P C -1.212 176.149 177.300 0.102 0.000 1.205 825 P CA -0.358 62.770 63.100 0.046 0.000 0.771 825 P CB 0.493 32.210 31.700 0.028 0.000 0.858 826 M N 1.454 121.065 119.600 0.018 0.000 2.246 826 M HA -0.278 4.314 4.480 -0.059 -0.149 0.327 826 M C 0.912 177.096 176.300 -0.193 0.000 1.090 826 M CA -0.226 55.034 55.300 -0.067 0.000 1.087 826 M CB -0.378 32.183 32.600 -0.065 0.000 1.587 826 M HN 0.038 8.332 8.290 0.006 0.000 0.444 827 N N 0.000 118.418 118.700 -0.469 0.000 1.763 827 N HA 0.000 4.382 4.740 -0.597 0.000 0.220 827 N CA 0.000 52.677 53.050 -0.622 0.000 0.885 827 N CB 0.000 37.875 38.487 -1.020 0.000 1.341 827 N HN 0.000 8.084 8.380 -0.493 0.000 0.667