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 3dpk_1_A DATA FIRST_RESID 548 DATA SEQUENCE VRWKIIESXX XXSYTFIDPX XXXYNEKWEF PRNNLQFGKT LGAGAFGKVV DATA SEQUENCE EATAFGLGXX XAVLKVAVKM LKSTAHADEK EALMSELKIM SHLGQHENIV DATA SEQUENCE NLLGACTHGG PVLVITEYCC YGDLLNFLRR XXXXXXXXXX XXXXXXXXQL DATA SEQUENCE SSXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXRDLLH FSSQVAQGMA FLASKNCIHR DVAARNVLLT NGHVAKIGDF DATA SEQUENCE GLARDIMNDS NYIVXXXXRL PVKWMAPESI FDCVYTVQSD VWSYGILLWE DATA SEQUENCE IFSLGLNPYP GILVNSKFYK LVKDGYQMAQ PAFAPKNIYS IMQACWALEP DATA SEQUENCE THRPTFQQIC SFLQE 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 548 V HA 0.000 4.159 4.120 0.064 0.000 0.244 548 V C 0.000 176.116 176.094 0.036 0.000 1.182 548 V CA 0.000 62.309 62.300 0.015 0.000 1.235 548 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 549 R N -2.224 118.282 120.500 0.010 0.000 2.922 549 R HA 0.351 4.696 4.340 0.008 0.000 0.256 549 R C -1.934 174.453 176.300 0.145 0.000 1.138 549 R CA -1.675 54.441 56.100 0.026 0.000 0.995 549 R CB 2.162 32.443 30.300 -0.032 0.000 1.226 549 R HN -0.494 7.763 8.270 -0.021 0.000 0.481 550 W N -0.685 120.507 121.300 -0.179 0.000 2.170 550 W HA 0.355 5.117 4.660 -0.159 -0.197 0.336 550 W C 0.588 177.042 176.519 -0.108 0.000 1.283 550 W CA -1.469 55.778 57.345 -0.163 0.000 1.224 550 W CB 0.484 29.828 29.460 -0.193 0.000 1.132 550 W HN -0.297 8.260 8.180 0.139 -0.294 0.571 551 K N 0.191 120.647 120.400 0.094 0.000 2.535 551 K HA 0.308 4.659 4.320 0.051 0.000 0.251 551 K C -2.080 174.524 176.600 0.005 0.000 0.942 551 K CA -1.418 54.890 56.287 0.035 0.000 0.798 551 K CB 3.603 36.099 32.500 -0.007 0.000 1.267 551 K HN 0.373 8.644 8.250 0.035 0.000 0.434 552 I N 4.393 124.972 120.570 0.016 0.000 2.371 552 I HA 0.585 4.935 4.170 -0.015 -0.189 0.290 552 I C 0.713 176.820 176.117 -0.017 0.000 1.028 552 I CA -1.491 59.810 61.300 0.001 0.000 1.345 552 I CB -0.765 37.255 38.000 0.033 0.000 1.407 552 I HN 0.378 8.605 8.210 0.028 0.000 0.501 553 I N 4.335 124.884 120.570 -0.034 0.000 3.023 553 I HA 0.608 4.756 4.170 -0.037 0.000 0.312 553 I C -0.989 175.080 176.117 -0.080 0.000 1.056 553 I CA -2.303 58.971 61.300 -0.043 0.000 1.033 553 I CB 2.639 40.622 38.000 -0.028 0.000 1.233 553 I HN 0.592 8.777 8.210 -0.041 0.000 0.462 554 E N 1.902 122.042 120.200 -0.099 0.000 2.313 554 E HA 0.097 4.318 4.350 -0.214 0.000 0.272 554 E C -0.701 175.798 176.600 -0.169 0.000 1.038 554 E CA 0.151 56.450 56.400 -0.168 0.000 0.863 554 E CB 0.623 30.226 29.700 -0.161 0.000 1.060 554 E HN 0.251 8.564 8.360 -0.079 0.000 0.402 561 Y N 2.070 122.296 120.300 -0.123 0.000 2.446 561 Y HA 0.351 4.760 4.550 -0.235 0.000 0.345 561 Y C -0.913 174.797 175.900 -0.316 0.000 0.984 561 Y CA -0.008 57.920 58.100 -0.285 0.000 1.058 561 Y CB 3.260 41.434 38.460 -0.476 0.000 1.220 561 Y HN 0.270 8.620 8.280 0.117 0.000 0.455 562 T N 7.018 121.245 114.554 -0.546 0.000 2.781 562 T HA 0.194 4.507 4.350 -0.061 0.000 0.305 562 T C -0.924 173.637 174.700 -0.232 0.000 1.001 562 T CA 0.138 62.078 62.100 -0.267 0.000 0.950 562 T CB -0.130 68.599 68.868 -0.231 0.000 0.955 562 T HN 0.181 7.876 8.240 -0.908 0.000 0.471 563 F N 5.722 125.775 119.950 0.171 0.000 2.317 563 F HA -0.096 4.608 4.527 0.294 0.000 0.293 563 F C -0.309 175.537 175.800 0.076 0.000 1.085 563 F CA 1.319 59.438 58.000 0.199 0.000 1.390 563 F CB 0.893 40.007 39.000 0.191 0.000 1.077 563 F HN 0.367 8.860 8.300 0.322 0.000 0.517 564 I N -4.768 115.915 120.570 0.188 0.000 2.828 564 I HA 0.159 4.365 4.170 0.060 0.000 0.302 564 I C -1.755 174.330 176.117 -0.052 0.000 1.101 564 I CA -1.037 60.286 61.300 0.038 0.000 1.031 564 I CB 2.978 40.958 38.000 -0.033 0.000 1.231 564 I HN -0.905 7.418 8.210 0.189 0.000 0.427 565 D N 4.009 124.381 120.400 -0.047 0.000 2.443 565 D HA 0.283 4.890 4.640 -0.055 0.000 0.221 565 D C -0.496 175.763 176.300 -0.069 0.000 1.097 565 D CA -3.118 50.851 54.000 -0.052 0.000 0.865 565 D CB 1.020 41.806 40.800 -0.023 0.000 1.034 565 D HN 0.117 8.473 8.370 -0.024 0.000 0.511 572 N N 6.586 125.138 118.700 -0.247 0.000 2.431 572 N HA -0.037 4.585 4.740 -0.197 0.000 0.265 572 N C 0.791 175.904 175.510 -0.661 0.000 1.184 572 N CA 0.090 52.970 53.050 -0.284 0.000 0.943 572 N CB 0.448 38.926 38.487 -0.016 0.000 1.080 572 N HN 0.288 8.666 8.380 -0.002 0.000 0.477 573 E N 6.184 126.110 120.200 -0.456 0.000 2.516 573 E HA -0.233 3.817 4.350 -0.500 0.000 0.199 573 E C 1.231 177.738 176.600 -0.154 0.000 1.069 573 E CA 1.405 57.617 56.400 -0.312 0.000 0.876 573 E CB -0.661 29.011 29.700 -0.048 0.000 0.843 573 E HN 0.659 8.850 8.360 -0.281 0.000 0.530 574 K N -0.420 119.842 120.400 -0.230 0.000 2.209 574 K HA -0.173 4.041 4.320 -0.176 0.000 0.204 574 K C 1.291 177.740 176.600 -0.252 0.000 1.048 574 K CA 2.512 58.637 56.287 -0.270 0.000 0.940 574 K CB -0.934 31.321 32.500 -0.409 0.000 0.729 574 K HN -0.150 8.185 8.250 -0.265 -0.244 0.451 575 W N -2.844 118.452 121.300 -0.006 0.000 2.905 575 W HA -0.042 4.686 4.660 0.113 0.000 0.251 575 W C -0.554 176.105 176.519 0.235 0.000 1.305 575 W CA -0.134 57.292 57.345 0.135 0.000 1.465 575 W CB 0.281 29.881 29.460 0.234 0.000 1.122 575 W HN -0.637 7.497 8.180 -0.024 0.032 0.659 576 E N 0.348 120.794 120.200 0.409 0.000 2.414 576 E HA 0.069 4.920 4.350 0.469 -0.219 0.263 576 E C -0.309 176.517 176.600 0.377 0.000 1.000 576 E CA 0.858 57.501 56.400 0.406 0.000 0.914 576 E CB 0.802 30.710 29.700 0.347 0.000 0.948 576 E HN -0.869 7.503 8.360 0.280 0.156 0.444 577 F N 6.392 126.448 119.950 0.177 0.000 2.578 577 F HA 0.420 5.014 4.527 0.112 0.000 0.311 577 F C -2.722 173.140 175.800 0.102 0.000 1.094 577 F CA -3.219 54.856 58.000 0.125 0.000 0.923 577 F CB 3.599 42.671 39.000 0.121 0.000 1.230 577 F HN 0.231 8.779 8.300 0.413 0.000 0.450 578 P HA 0.385 4.714 4.420 -0.152 0.000 0.282 578 P C -0.108 177.017 177.300 -0.292 0.000 1.274 578 P CA -0.307 62.572 63.100 -0.367 0.000 0.770 578 P CB 0.806 32.274 31.700 -0.387 0.000 0.867 579 R N 5.833 126.301 120.500 -0.055 0.000 2.189 579 R HA -0.399 3.996 4.340 0.091 0.000 0.223 579 R C 0.699 176.979 176.300 -0.033 0.000 1.092 579 R CA 2.957 59.071 56.100 0.023 0.000 0.989 579 R CB -0.663 29.681 30.300 0.075 0.000 0.876 579 R HN 0.490 8.749 8.270 -0.018 0.000 0.457 580 N N -1.682 116.980 118.700 -0.063 0.000 2.520 580 N HA -0.170 4.544 4.740 -0.042 0.000 0.185 580 N C 0.202 175.690 175.510 -0.036 0.000 1.068 580 N CA 1.825 54.842 53.050 -0.055 0.000 0.911 580 N CB -0.769 37.682 38.487 -0.060 0.000 0.961 580 N HN 0.317 8.622 8.380 -0.078 0.028 0.446 581 N N -0.533 118.137 118.700 -0.050 0.000 2.276 581 N HA 0.162 5.012 4.740 0.182 0.000 0.212 581 N C -2.263 173.442 175.510 0.326 0.000 1.127 581 N CA 0.130 53.248 53.050 0.114 0.000 0.834 581 N CB 0.365 38.786 38.487 -0.110 0.000 1.014 581 N HN -0.394 7.744 8.380 -0.138 0.159 0.491 582 L N -1.895 119.407 121.223 0.131 0.000 2.346 582 L HA 0.753 5.287 4.340 -0.020 -0.206 0.276 582 L C -0.856 175.889 176.870 -0.207 0.000 1.006 582 L CA -1.285 53.522 54.840 -0.055 0.000 0.817 582 L CB 2.638 44.578 42.059 -0.200 0.000 1.272 582 L HN -0.612 7.573 8.230 0.032 0.065 0.421 583 Q N 3.165 122.855 119.800 -0.185 0.000 2.333 583 Q HA 0.312 4.526 4.340 -0.210 0.000 0.268 583 Q C -1.336 174.528 176.000 -0.226 0.000 1.007 583 Q CA -1.704 54.003 55.803 -0.160 0.000 0.810 583 Q CB 3.111 31.905 28.738 0.094 0.000 1.264 583 Q HN 0.240 8.402 8.270 -0.181 0.000 0.452 584 F N 4.125 124.083 119.950 0.013 0.000 2.429 584 F HA 0.155 4.655 4.527 -0.045 0.000 0.348 584 F C 0.842 176.620 175.800 -0.038 0.000 1.109 584 F CA 0.513 58.499 58.000 -0.024 0.000 1.232 584 F CB 0.460 39.450 39.000 -0.016 0.000 1.157 584 F HN 0.411 8.575 8.300 -0.227 0.000 0.564 585 G N 3.217 112.101 108.800 0.140 0.000 3.194 585 G HA2 0.228 4.214 3.960 0.042 0.000 0.160 585 G HA3 0.228 4.179 3.960 -0.015 0.000 0.160 585 G C -1.941 172.973 174.900 0.023 0.000 1.267 585 G CA -0.658 44.465 45.100 0.038 0.000 0.962 585 G HN 0.379 8.757 8.290 0.147 0.000 0.612 586 K N -0.865 119.523 120.400 -0.019 0.000 2.168 586 K HA 0.166 4.476 4.320 -0.016 0.000 0.258 586 K C -1.144 175.436 176.600 -0.034 0.000 1.010 586 K CA 0.017 56.291 56.287 -0.023 0.000 0.929 586 K CB 0.613 33.101 32.500 -0.021 0.000 0.998 586 K HN 0.009 8.235 8.250 -0.040 0.000 0.479 587 T N 3.202 117.732 114.554 -0.039 0.000 2.794 587 T HA -0.028 4.285 4.350 -0.061 0.000 0.296 587 T C -0.110 174.567 174.700 -0.038 0.000 0.949 587 T CA 1.355 63.424 62.100 -0.051 0.000 1.101 587 T CB 0.406 69.237 68.868 -0.061 0.000 0.905 587 T HN 0.246 8.465 8.240 -0.035 0.000 0.516 588 L N 5.950 127.150 121.223 -0.038 0.000 2.298 588 L HA 0.060 4.391 4.340 -0.015 0.000 0.209 588 L C 0.619 177.456 176.870 -0.056 0.000 1.084 588 L CA 0.576 55.398 54.840 -0.030 0.000 0.816 588 L CB 0.374 42.424 42.059 -0.014 0.000 0.967 588 L HN 0.430 8.633 8.230 -0.044 0.000 0.460 589 G N -4.697 104.063 108.800 -0.068 0.000 2.368 589 G HA2 -0.029 3.891 3.960 -0.066 0.000 0.293 589 G HA3 -0.029 3.880 3.960 -0.084 0.000 0.293 589 G C -3.182 171.671 174.900 -0.079 0.000 1.467 589 G CA 0.585 45.640 45.100 -0.075 0.000 0.804 589 G HN -0.800 7.450 8.290 -0.068 0.000 0.535 590 A N -2.185 120.586 122.820 -0.081 0.000 2.574 590 A HA 0.841 5.214 4.320 -0.082 -0.103 0.297 590 A C -1.909 175.617 177.584 -0.098 0.000 1.062 590 A CA -0.544 51.441 52.037 -0.087 0.000 0.686 590 A CB 3.434 22.380 19.000 -0.091 0.000 1.285 590 A HN 0.065 8.167 8.150 -0.079 0.000 0.403 591 G N -1.603 107.136 108.800 -0.102 0.000 2.702 591 G HA2 0.341 4.315 3.960 -0.140 0.000 0.254 591 G HA3 0.341 4.255 3.960 -0.110 -0.020 0.254 591 G C -0.692 174.093 174.900 -0.192 0.000 1.380 591 G CA -1.324 43.698 45.100 -0.130 0.000 1.042 591 G HN 0.177 8.414 8.290 -0.088 0.000 0.557 592 A N -0.198 122.456 122.820 -0.277 0.000 1.930 592 A HA -0.177 3.852 4.320 -0.486 0.000 0.217 592 A C 1.316 178.436 177.584 -0.773 0.000 1.175 592 A CA 2.214 53.904 52.037 -0.578 0.000 0.627 592 A CB 0.048 18.595 19.000 -0.756 0.000 0.815 592 A HN 0.528 8.542 8.150 -0.227 0.000 0.443 593 F N -5.964 113.946 119.950 -0.066 0.000 2.767 593 F HA 0.172 4.659 4.527 -0.067 0.000 0.323 593 F C -0.879 174.878 175.800 -0.072 0.000 1.091 593 F CA -0.011 57.950 58.000 -0.066 0.000 1.192 593 F CB 2.525 41.492 39.000 -0.056 0.000 1.056 593 F HN -0.276 7.978 8.300 -0.076 0.000 0.571 594 G N -2.561 106.264 108.800 0.041 0.000 2.642 594 G HA2 0.696 4.788 3.960 -0.001 0.000 0.293 594 G HA3 0.696 4.736 3.960 0.002 -0.079 0.293 594 G C -3.106 171.764 174.900 -0.050 0.000 1.341 594 G CA -0.734 44.364 45.100 -0.003 0.000 0.916 594 G HN -0.721 7.567 8.290 -0.003 0.000 0.474 595 K N -1.239 119.123 120.400 -0.064 0.000 2.532 595 K HA 0.739 5.133 4.320 -0.077 -0.120 0.265 595 K C -2.244 174.305 176.600 -0.085 0.000 0.948 595 K CA -1.376 54.862 56.287 -0.082 0.000 0.842 595 K CB 4.399 36.840 32.500 -0.098 0.000 1.392 595 K HN 0.315 8.527 8.250 -0.064 0.000 0.436 596 V N 1.129 120.994 119.914 -0.081 0.000 2.604 596 V HA 0.878 5.174 4.120 -0.069 -0.217 0.305 596 V C -1.249 174.802 176.094 -0.071 0.000 1.043 596 V CA -2.077 60.181 62.300 -0.070 0.000 0.888 596 V CB 3.318 35.106 31.823 -0.059 0.000 0.995 596 V HN 0.157 8.299 8.190 -0.081 0.000 0.429 597 V N 0.408 120.284 119.914 -0.064 0.000 2.864 597 V HA 0.799 5.001 4.120 -0.055 -0.115 0.314 597 V C -1.943 174.140 176.094 -0.019 0.000 1.073 597 V CA -3.842 58.427 62.300 -0.051 0.000 0.956 597 V CB 3.816 35.581 31.823 -0.097 0.000 1.023 597 V HN 0.579 8.736 8.190 -0.055 0.000 0.435 598 E N 3.569 123.728 120.200 -0.068 0.000 2.366 598 E HA 0.360 4.707 4.350 -0.238 -0.139 0.266 598 E C -1.526 175.007 176.600 -0.112 0.000 1.051 598 E CA -0.651 55.622 56.400 -0.210 0.000 0.884 598 E CB 2.267 31.721 29.700 -0.411 0.000 1.006 598 E HN 0.013 8.333 8.360 -0.068 0.000 0.417 599 A N 4.032 126.751 122.820 -0.168 0.000 2.594 599 A HA 0.773 5.151 4.320 -0.084 -0.108 0.291 599 A C -2.000 175.444 177.584 -0.234 0.000 1.105 599 A CA -1.158 50.807 52.037 -0.121 0.000 0.694 599 A CB 4.173 23.153 19.000 -0.033 0.000 1.291 599 A HN 0.712 8.712 8.150 -0.251 0.000 0.410 600 T N 2.317 116.706 114.554 -0.276 0.000 2.767 600 T HA 0.504 4.795 4.350 -0.389 -0.174 0.284 600 T C -1.059 173.309 174.700 -0.554 0.000 0.973 600 T CA -0.217 61.619 62.100 -0.440 0.000 0.996 600 T CB 1.071 69.620 68.868 -0.531 0.000 0.927 600 T HN 0.013 8.109 8.240 -0.241 0.000 0.456 601 A N 6.401 128.925 122.820 -0.495 0.000 2.288 601 A HA 0.795 5.173 4.320 -0.196 -0.176 0.320 601 A C -1.894 175.482 177.584 -0.347 0.000 1.217 601 A CA -2.239 49.604 52.037 -0.323 0.000 0.840 601 A CB 2.383 21.210 19.000 -0.289 0.000 1.179 601 A HN 0.701 8.597 8.150 -0.423 0.000 0.504 602 F N 3.333 123.389 119.950 0.177 0.000 2.404 602 F HA -0.030 4.549 4.527 0.086 0.000 0.354 602 F C 0.459 176.390 175.800 0.219 0.000 1.122 602 F CA -0.454 57.625 58.000 0.132 0.000 1.080 602 F CB 0.930 39.968 39.000 0.063 0.000 1.131 602 F HN 0.024 8.488 8.300 0.274 0.000 0.471 603 G N 4.475 113.457 108.800 0.302 0.000 2.341 603 G HA2 -0.395 3.678 3.960 0.188 0.000 0.278 603 G HA3 -0.395 3.714 3.960 0.248 0.000 0.278 603 G C -1.354 173.761 174.900 0.358 0.000 1.111 603 G CA 0.082 45.339 45.100 0.262 0.000 0.982 603 G HN 0.095 8.523 8.290 0.231 0.000 0.502 604 L N 1.285 122.632 121.223 0.207 0.000 2.287 604 L HA 0.168 4.649 4.340 0.236 0.000 0.287 604 L C -0.227 176.677 176.870 0.057 0.000 1.022 604 L CA -0.341 54.548 54.840 0.082 0.000 0.814 604 L CB 0.750 42.667 42.059 -0.237 0.000 1.217 604 L HN -0.664 7.641 8.230 0.124 0.000 0.420 610 V N 5.121 125.050 119.914 0.024 0.000 2.370 610 V HA 0.771 5.069 4.120 -0.057 -0.213 0.283 610 V C -1.074 174.966 176.094 -0.089 0.000 1.023 610 V CA -1.094 61.191 62.300 -0.026 0.000 0.857 610 V CB 1.080 32.936 31.823 0.055 0.000 0.985 610 V HN 0.183 8.390 8.190 0.028 0.000 0.443 611 L N 8.449 129.571 121.223 -0.169 0.000 2.455 611 L HA 0.491 4.771 4.340 -0.101 0.000 0.264 611 L C -2.253 174.503 176.870 -0.189 0.000 0.968 611 L CA -1.295 53.461 54.840 -0.140 0.000 0.827 611 L CB 4.840 46.829 42.059 -0.117 0.000 1.317 611 L HN 0.203 8.285 8.230 -0.247 0.000 0.407 612 K N 5.520 125.833 120.400 -0.145 0.000 2.368 612 K HA 0.392 4.752 4.320 -0.250 -0.191 0.282 612 K C -0.090 176.439 176.600 -0.120 0.000 1.035 612 K CA 0.857 57.032 56.287 -0.186 0.000 0.973 612 K CB 0.269 32.666 32.500 -0.172 0.000 0.957 612 K HN 0.285 8.472 8.250 -0.105 0.000 0.474 613 V N -3.004 116.810 119.914 -0.167 0.000 3.160 613 V HA 0.530 4.657 4.120 0.012 0.000 0.310 613 V C -2.500 173.562 176.094 -0.055 0.000 1.181 613 V CA -3.278 58.981 62.300 -0.068 0.000 1.047 613 V CB 4.606 36.361 31.823 -0.113 0.000 1.068 613 V HN 0.584 8.633 8.190 -0.235 0.000 0.441 614 A N -0.866 121.973 122.820 0.032 0.000 2.330 614 A HA 0.818 5.299 4.320 0.020 -0.148 0.327 614 A C -1.602 175.995 177.584 0.021 0.000 1.155 614 A CA -2.226 49.838 52.037 0.045 0.000 0.803 614 A CB 2.572 21.633 19.000 0.101 0.000 1.208 614 A HN 0.346 8.520 8.150 0.040 0.000 0.477 615 V N 3.168 123.104 119.914 0.037 0.000 2.444 615 V HA 0.663 5.012 4.120 0.040 -0.205 0.294 615 V C -1.347 174.752 176.094 0.007 0.000 1.022 615 V CA -1.607 60.728 62.300 0.058 0.000 0.850 615 V CB 2.818 34.765 31.823 0.206 0.000 0.992 615 V HN 0.568 8.779 8.190 0.036 0.000 0.426 616 K N 8.278 128.670 120.400 -0.013 0.000 2.159 616 K HA 0.745 5.204 4.320 -0.051 -0.170 0.266 616 K C -1.298 175.272 176.600 -0.050 0.000 0.975 616 K CA -1.287 54.975 56.287 -0.042 0.000 0.865 616 K CB 2.883 35.355 32.500 -0.047 0.000 1.087 616 K HN 0.743 8.986 8.250 -0.011 0.000 0.446 617 M N 2.384 121.942 119.600 -0.070 0.000 2.644 617 M HA 0.596 5.171 4.480 -0.059 -0.130 0.273 617 M C -2.317 173.945 176.300 -0.063 0.000 1.253 617 M CA -0.544 54.713 55.300 -0.072 0.000 0.852 617 M CB 4.298 36.834 32.600 -0.106 0.000 1.708 617 M HN 0.398 8.643 8.290 -0.076 0.000 0.471 618 L N -0.150 121.044 121.223 -0.049 0.000 2.453 618 L HA 0.148 4.612 4.340 -0.008 -0.128 0.261 618 L C 0.144 176.993 176.870 -0.035 0.000 1.179 618 L CA -0.065 54.760 54.840 -0.025 0.000 0.813 618 L CB 0.669 42.720 42.059 -0.014 0.000 1.110 618 L HN 0.487 8.687 8.230 -0.049 0.000 0.466 619 K N 0.528 120.922 120.400 -0.010 0.000 2.127 619 K HA 0.103 4.390 4.320 -0.054 0.000 0.240 619 K C 1.591 178.180 176.600 -0.019 0.000 1.024 619 K CA -0.612 55.657 56.287 -0.030 0.000 0.918 619 K CB 0.830 33.305 32.500 -0.042 0.000 1.108 619 K HN -0.092 8.173 8.250 0.025 0.000 0.485 620 S N -0.138 115.539 115.700 -0.039 0.000 2.402 620 S HA -0.204 4.236 4.470 -0.050 0.000 0.229 620 S C 0.673 175.243 174.600 -0.051 0.000 1.021 620 S CA 2.500 60.672 58.200 -0.047 0.000 0.974 620 S CB 0.013 63.183 63.200 -0.050 0.000 0.800 620 S HN 0.541 8.822 8.310 -0.048 0.000 0.484 621 T N -0.553 113.991 114.554 -0.017 0.000 3.077 621 T HA -0.094 4.249 4.350 -0.010 0.000 0.269 621 T C -0.965 173.829 174.700 0.157 0.000 1.146 621 T CA 1.182 63.302 62.100 0.035 0.000 1.091 621 T CB -0.269 68.598 68.868 -0.001 0.000 0.892 621 T HN -0.230 7.996 8.240 -0.024 0.000 0.533 622 A N 1.335 124.223 122.820 0.114 0.000 2.327 622 A HA 0.096 4.478 4.320 0.103 0.000 0.283 622 A C -1.577 175.936 177.584 -0.120 0.000 1.127 622 A CA -0.071 52.003 52.037 0.061 0.000 0.810 622 A CB 1.220 20.260 19.000 0.067 0.000 1.066 622 A HN -0.813 7.312 8.150 0.061 0.062 0.492 623 H N 0.941 119.956 119.070 -0.091 0.000 2.915 623 H HA 0.101 4.629 4.556 -0.046 0.000 0.298 623 H C 1.447 176.713 175.328 -0.103 0.000 1.516 623 H CA -1.034 54.966 56.048 -0.080 0.000 1.480 623 H CB 3.369 33.087 29.762 -0.074 0.000 1.847 623 H HN -0.003 8.228 8.280 -0.082 0.000 0.806 624 A N -0.635 122.249 122.820 0.107 0.000 1.978 624 A HA -0.308 4.019 4.320 0.012 0.000 0.220 624 A C 1.749 179.308 177.584 -0.042 0.000 1.170 624 A CA 2.974 55.015 52.037 0.007 0.000 0.636 624 A CB -0.175 18.813 19.000 -0.020 0.000 0.810 624 A HN 0.440 8.666 8.150 0.127 0.000 0.448 625 D N -2.751 117.608 120.400 -0.067 0.000 2.149 625 D HA -0.327 4.263 4.640 -0.084 0.000 0.198 625 D C 2.183 178.401 176.300 -0.136 0.000 0.990 625 D CA 3.210 57.148 54.000 -0.104 0.000 0.839 625 D CB -0.399 40.322 40.800 -0.131 0.000 0.948 625 D HN 0.113 8.435 8.370 -0.057 0.014 0.460 626 E N -1.583 118.509 120.200 -0.179 0.000 2.170 626 E HA -0.108 4.117 4.350 -0.207 0.000 0.191 626 E C 2.321 178.858 176.600 -0.105 0.000 0.981 626 E CA 1.789 58.070 56.400 -0.198 0.000 0.830 626 E CB -0.344 29.175 29.700 -0.301 0.000 0.775 626 E HN -0.229 7.915 8.360 -0.173 0.112 0.470 627 K N -0.308 120.046 120.400 -0.077 0.000 2.148 627 K HA -0.273 4.012 4.320 -0.058 0.000 0.204 627 K C 2.094 178.656 176.600 -0.063 0.000 1.050 627 K CA 3.507 59.759 56.287 -0.058 0.000 0.942 627 K CB -0.083 32.394 32.500 -0.037 0.000 0.724 627 K HN -0.524 7.683 8.250 -0.071 0.000 0.446 628 E N -0.246 119.916 120.200 -0.062 0.000 2.072 628 E HA -0.266 4.054 4.350 -0.050 0.000 0.190 628 E C 1.856 178.420 176.600 -0.060 0.000 0.982 628 E CA 2.905 59.272 56.400 -0.055 0.000 0.803 628 E CB -0.082 29.588 29.700 -0.048 0.000 0.755 628 E HN -0.555 7.754 8.360 -0.065 0.012 0.453 629 A N -0.515 122.263 122.820 -0.070 0.000 1.978 629 A HA -0.232 4.053 4.320 -0.059 0.000 0.220 629 A C 2.184 179.725 177.584 -0.071 0.000 1.170 629 A CA 2.892 54.889 52.037 -0.068 0.000 0.636 629 A CB -0.745 18.210 19.000 -0.075 0.000 0.810 629 A HN -0.524 7.578 8.150 -0.080 0.000 0.448 630 L N -0.927 120.251 121.223 -0.076 0.000 2.072 630 L HA -0.232 4.056 4.340 -0.087 0.000 0.205 630 L C 1.595 178.405 176.870 -0.100 0.000 1.079 630 L CA 2.974 57.763 54.840 -0.085 0.000 0.752 630 L CB -0.028 41.983 42.059 -0.080 0.000 0.906 630 L HN -0.573 7.602 8.230 -0.075 0.010 0.436 631 M N -2.370 117.172 119.600 -0.097 0.000 2.213 631 M HA -0.388 4.004 4.480 -0.148 0.000 0.263 631 M C 2.554 178.812 176.300 -0.070 0.000 1.062 631 M CA 1.991 57.227 55.300 -0.107 0.000 1.105 631 M CB -1.449 31.097 32.600 -0.089 0.000 1.385 631 M HN -0.361 7.877 8.290 -0.088 0.000 0.417 632 S N -0.331 115.337 115.700 -0.054 0.000 2.406 632 S HA -0.333 4.128 4.470 -0.015 0.000 0.228 632 S C 1.686 176.264 174.600 -0.038 0.000 1.020 632 S CA 3.241 61.421 58.200 -0.032 0.000 0.965 632 S CB -0.421 62.761 63.200 -0.030 0.000 0.798 632 S HN 0.003 8.261 8.310 -0.058 0.017 0.488 633 E N 3.083 123.241 120.200 -0.070 0.000 2.106 633 E HA -0.275 4.026 4.350 -0.081 0.000 0.192 633 E C 1.695 178.233 176.600 -0.102 0.000 0.984 633 E CA 2.758 59.101 56.400 -0.096 0.000 0.806 633 E CB -0.011 29.606 29.700 -0.139 0.000 0.750 633 E HN -0.574 7.739 8.360 -0.078 0.000 0.458 634 L N -0.546 120.611 121.223 -0.110 0.000 2.083 634 L HA -0.242 3.996 4.340 -0.169 0.000 0.209 634 L C 1.859 178.687 176.870 -0.070 0.000 1.083 634 L CA 3.078 57.838 54.840 -0.132 0.000 0.752 634 L CB -0.251 41.706 42.059 -0.170 0.000 0.899 634 L HN -0.418 7.665 8.230 -0.110 0.081 0.433 635 K N -1.365 119.033 120.400 -0.004 0.000 2.057 635 K HA -0.251 4.140 4.320 0.117 0.000 0.206 635 K C 2.955 179.609 176.600 0.089 0.000 1.050 635 K CA 3.103 59.432 56.287 0.070 0.000 0.935 635 K CB -0.104 32.437 32.500 0.068 0.000 0.715 635 K HN -0.459 7.769 8.250 -0.018 0.011 0.439 636 I N 1.170 121.780 120.570 0.066 0.000 2.142 636 I HA -0.579 3.694 4.170 0.173 0.000 0.240 636 I C 1.703 177.891 176.117 0.119 0.000 1.078 636 I CA 4.063 65.436 61.300 0.121 0.000 1.343 636 I CB 0.056 38.122 38.000 0.111 0.000 1.046 636 I HN -0.590 7.641 8.210 0.034 0.000 0.405 637 M N -2.202 117.411 119.600 0.023 0.000 2.106 637 M HA -0.405 4.100 4.480 0.041 0.000 0.259 637 M C 2.395 178.664 176.300 -0.051 0.000 1.068 637 M CA 1.343 56.626 55.300 -0.028 0.000 1.100 637 M CB -1.567 30.943 32.600 -0.150 0.000 1.351 637 M HN -0.319 7.959 8.290 -0.021 0.000 0.404 638 S N -1.949 113.703 115.700 -0.080 0.000 2.402 638 S HA -0.299 4.047 4.470 -0.208 0.000 0.229 638 S C 1.297 176.052 174.600 0.258 0.000 1.021 638 S CA 3.060 61.253 58.200 -0.013 0.000 0.974 638 S CB -0.442 62.795 63.200 0.061 0.000 0.800 638 S HN -0.147 8.122 8.310 -0.068 0.000 0.484 639 H N 2.091 121.240 119.070 0.132 0.000 2.497 639 H HA 0.022 4.683 4.556 0.176 0.000 0.282 639 H C 1.460 176.877 175.328 0.148 0.000 1.003 639 H CA 2.034 58.171 56.048 0.149 0.000 1.307 639 H CB 0.968 30.799 29.762 0.115 0.000 1.437 639 H HN -0.732 7.585 8.280 0.272 0.125 0.544 640 L N -2.740 118.465 121.223 -0.031 0.000 2.093 640 L HA -0.299 3.881 4.340 -0.267 0.000 0.208 640 L C 0.018 176.951 176.870 0.104 0.000 1.085 640 L CA 1.920 56.723 54.840 -0.063 0.000 0.755 640 L CB 0.693 42.822 42.059 0.116 0.000 0.904 640 L HN -0.561 7.722 8.230 0.089 0.000 0.435 641 G N -4.002 104.911 108.800 0.188 0.000 2.728 641 G HA2 -0.365 3.740 3.960 0.242 0.000 0.294 641 G HA3 -0.365 3.748 3.960 0.256 0.000 0.294 641 G C -2.112 172.964 174.900 0.293 0.000 1.342 641 G CA -0.764 44.489 45.100 0.256 0.000 0.866 641 G HN -0.746 7.648 8.290 0.174 0.000 0.534 642 Q N 0.567 120.481 119.800 0.190 0.000 2.205 642 Q HA 0.398 4.972 4.340 0.079 -0.186 0.249 642 Q C -1.417 174.500 176.000 -0.139 0.000 0.948 642 Q CA -1.091 54.750 55.803 0.063 0.000 0.895 642 Q CB 2.349 31.124 28.738 0.062 0.000 1.249 642 Q HN 0.175 8.553 8.270 0.179 0.000 0.458 643 H N 1.231 120.083 119.070 -0.364 0.000 3.112 643 H HA 0.177 4.463 4.556 -0.449 0.000 0.347 643 H C -0.003 175.162 175.328 -0.271 0.000 1.188 643 H CA -0.206 55.516 56.048 -0.545 0.000 1.240 643 H CB 3.950 32.915 29.762 -1.327 0.000 1.920 643 H HN -0.038 8.398 8.280 -0.110 -0.222 0.535 644 E N 4.933 124.765 120.200 -0.613 0.000 2.209 644 E HA -0.297 3.941 4.350 -0.188 0.000 0.196 644 E C 0.030 176.581 176.600 -0.081 0.000 0.993 644 E CA 2.674 58.899 56.400 -0.292 0.000 0.819 644 E CB -0.087 29.427 29.700 -0.310 0.000 0.745 644 E HN 0.595 8.356 8.360 -1.000 0.000 0.477 645 N N -1.351 117.427 118.700 0.130 0.000 2.273 645 N HA 0.276 5.207 4.740 0.126 -0.115 0.231 645 N C -1.735 173.902 175.510 0.211 0.000 1.134 645 N CA -0.099 53.076 53.050 0.209 0.000 0.856 645 N CB 1.384 40.023 38.487 0.253 0.000 1.068 645 N HN -0.467 8.108 8.380 0.379 0.033 0.510 646 I N -1.194 119.485 120.570 0.181 0.000 2.693 646 I HA 0.581 5.072 4.170 0.231 -0.182 0.303 646 I C -1.315 174.879 176.117 0.129 0.000 1.025 646 I CA -3.026 58.386 61.300 0.187 0.000 1.086 646 I CB 3.967 42.091 38.000 0.207 0.000 1.268 646 I HN -0.659 7.580 8.210 0.150 0.060 0.440 647 V N 5.227 125.219 119.914 0.131 0.000 2.415 647 V HA -0.207 3.958 4.120 0.076 0.000 0.267 647 V C -0.958 175.161 176.094 0.042 0.000 1.042 647 V CA 0.463 62.816 62.300 0.089 0.000 1.000 647 V CB -0.847 31.060 31.823 0.141 0.000 1.015 647 V HN 0.017 8.297 8.190 0.150 0.000 0.478 648 N N 7.285 126.003 118.700 0.029 0.000 2.524 648 N HA 0.006 4.760 4.740 0.023 0.000 0.283 648 N C -0.816 174.673 175.510 -0.035 0.000 1.142 648 N CA -0.850 52.208 53.050 0.014 0.000 0.984 648 N CB 1.304 39.811 38.487 0.033 0.000 1.155 648 N HN -0.303 8.396 8.380 0.027 -0.302 0.467 649 L N 2.503 123.662 121.223 -0.105 0.000 2.455 649 L HA -0.119 4.099 4.340 -0.204 0.000 0.272 649 L C -0.116 176.678 176.870 -0.127 0.000 1.174 649 L CA 1.289 55.981 54.840 -0.245 0.000 0.869 649 L CB 0.539 42.258 42.059 -0.566 0.000 1.130 649 L HN 0.345 8.515 8.230 -0.101 0.000 0.474 650 L N 3.311 124.505 121.223 -0.048 0.000 2.685 650 L HA 0.453 4.944 4.340 0.251 0.000 0.235 650 L C -0.065 176.956 176.870 0.251 0.000 1.070 650 L CA -0.177 54.738 54.840 0.125 0.000 0.888 650 L CB 1.221 43.277 42.059 -0.006 0.000 1.203 650 L HN 0.775 8.951 8.230 -0.090 0.000 0.499 651 G N -4.875 104.016 108.800 0.151 0.000 2.356 651 G HA2 0.190 4.610 3.960 0.525 0.000 0.294 651 G HA3 0.190 4.235 3.960 0.143 0.000 0.294 651 G C -3.205 171.793 174.900 0.163 0.000 1.423 651 G CA 0.731 45.987 45.100 0.260 0.000 0.806 651 G HN -0.809 7.487 8.290 0.009 0.000 0.527 652 A N -2.657 120.326 122.820 0.271 0.000 2.594 652 A HA 0.890 5.395 4.320 0.075 -0.140 0.295 652 A C -2.622 175.079 177.584 0.195 0.000 1.071 652 A CA -0.672 51.456 52.037 0.150 0.000 0.685 652 A CB 3.936 22.970 19.000 0.056 0.000 1.285 652 A HN 0.113 8.493 8.150 0.384 0.000 0.405 653 C N 0.844 120.198 119.300 0.090 0.000 2.335 653 C HA 0.512 5.207 4.460 0.121 -0.163 0.318 653 C C 0.351 175.301 174.990 -0.066 0.000 1.150 653 C CA -2.009 57.055 59.018 0.078 0.000 1.466 653 C CB 0.846 28.660 27.740 0.123 0.000 2.024 653 C HN 0.425 8.681 8.230 0.043 0.000 0.429 654 T N 2.309 116.735 114.554 -0.213 0.000 3.044 654 T HA 0.085 4.266 4.350 -0.281 0.000 0.260 654 T C -0.199 174.211 174.700 -0.484 0.000 1.019 654 T CA -0.659 61.194 62.100 -0.412 0.000 0.921 654 T CB 1.126 69.618 68.868 -0.627 0.000 1.053 654 T HN 0.156 8.722 8.240 -0.196 -0.443 0.533 655 H N 0.089 119.197 119.070 0.063 0.000 2.797 655 H HA 0.172 4.756 4.556 0.047 0.000 0.372 655 H C 1.072 176.429 175.328 0.048 0.000 1.168 655 H CA -0.457 55.626 56.048 0.057 0.000 1.163 655 H CB 2.136 31.940 29.762 0.070 0.000 1.778 655 H HN -0.683 7.701 8.280 -0.109 -0.170 0.551 656 G N 0.130 109.032 108.800 0.170 0.000 2.153 656 G HA2 -0.365 3.646 3.960 0.085 0.000 0.252 656 G HA3 -0.365 3.654 3.960 0.098 0.000 0.252 656 G C -1.522 173.423 174.900 0.075 0.000 0.994 656 G CA 0.395 45.556 45.100 0.101 0.000 0.698 656 G HN 0.452 8.850 8.290 0.179 0.000 0.521 657 G N -1.037 107.804 108.800 0.068 0.000 2.343 657 G HA2 -0.012 3.977 3.960 0.048 0.000 0.289 657 G HA3 -0.012 3.984 3.960 0.060 0.000 0.289 657 G C -2.574 172.346 174.900 0.034 0.000 1.295 657 G CA -0.635 44.496 45.100 0.052 0.000 0.869 657 G HN -0.414 7.881 8.290 0.072 0.038 0.522 658 P HA 0.066 4.484 4.420 -0.003 0.000 0.268 658 P C -1.045 176.250 177.300 -0.007 0.000 1.208 658 P CA -0.191 62.911 63.100 0.005 0.000 0.777 658 P CB 0.860 32.560 31.700 0.000 0.000 0.875 659 V N 1.958 121.848 119.914 -0.039 0.000 2.540 659 V HA -0.059 4.221 4.120 -0.087 -0.212 0.297 659 V C -0.342 175.726 176.094 -0.043 0.000 1.024 659 V CA 0.746 63.003 62.300 -0.072 0.000 1.105 659 V CB 0.077 31.834 31.823 -0.111 0.000 0.938 659 V HN 0.123 8.287 8.190 -0.043 0.000 0.482 660 L N 7.013 128.223 121.223 -0.021 0.000 2.341 660 L HA 0.664 5.178 4.340 0.012 -0.167 0.278 660 L C -0.808 176.055 176.870 -0.011 0.000 1.005 660 L CA -1.569 53.284 54.840 0.022 0.000 0.818 660 L CB 2.612 44.742 42.059 0.118 0.000 1.259 660 L HN 0.095 8.309 8.230 -0.027 0.000 0.418 661 V N 3.654 123.552 119.914 -0.027 0.000 2.417 661 V HA 0.310 4.393 4.120 -0.061 0.000 0.291 661 V C -1.233 174.842 176.094 -0.033 0.000 1.024 661 V CA -0.955 61.312 62.300 -0.056 0.000 0.861 661 V CB 2.175 33.939 31.823 -0.099 0.000 0.985 661 V HN 0.603 8.779 8.190 -0.024 0.000 0.436 662 I N 8.066 128.613 120.570 -0.038 0.000 2.339 662 I HA 0.754 5.087 4.170 -0.025 -0.178 0.290 662 I C -0.532 175.546 176.117 -0.066 0.000 0.994 662 I CA -1.321 59.952 61.300 -0.044 0.000 1.191 662 I CB 1.171 39.127 38.000 -0.073 0.000 1.343 662 I HN 0.668 8.852 8.210 -0.044 0.000 0.458 663 T N 4.313 118.840 114.554 -0.045 0.000 2.864 663 T HA 0.713 5.171 4.350 -0.052 -0.138 0.289 663 T C -0.281 174.415 174.700 -0.006 0.000 1.082 663 T CA -2.978 59.100 62.100 -0.035 0.000 1.009 663 T CB 3.213 72.066 68.868 -0.025 0.000 1.234 663 T HN 0.820 9.043 8.240 -0.029 0.000 0.526 664 E N 0.788 120.990 120.200 0.003 0.000 2.414 664 E HA -0.160 4.198 4.350 0.013 0.000 0.263 664 E C -0.995 175.635 176.600 0.049 0.000 1.000 664 E CA 0.940 57.349 56.400 0.016 0.000 0.914 664 E CB 0.455 30.156 29.700 0.002 0.000 0.948 664 E HN -0.188 8.172 8.360 -0.001 0.000 0.444 665 Y N 5.118 125.370 120.300 -0.080 0.000 2.327 665 Y HA 0.054 4.548 4.550 -0.093 0.000 0.336 665 Y C -0.946 174.885 175.900 -0.115 0.000 1.035 665 Y CA 0.634 58.675 58.100 -0.098 0.000 1.165 665 Y CB 0.957 39.353 38.460 -0.107 0.000 1.181 665 Y HN 0.172 8.536 8.280 0.140 0.000 0.494 666 C N 8.482 127.353 119.300 -0.715 0.000 2.203 666 C HA 0.355 4.522 4.460 -0.489 0.000 0.325 666 C C 0.524 174.931 174.990 -0.972 0.000 1.156 666 C CA -1.201 57.438 59.018 -0.633 0.000 1.597 666 C CB 0.976 28.509 27.740 -0.344 0.000 2.148 666 C HN 0.533 8.363 8.230 -0.667 0.000 0.472 667 C N 7.267 126.008 119.300 -0.933 0.000 2.437 667 C HA -0.182 3.678 4.460 -1.000 0.000 0.283 667 C C 0.265 174.877 174.990 -0.631 0.000 1.424 667 C CA 0.866 59.370 59.018 -0.857 0.000 1.782 667 C CB -0.132 27.216 27.740 -0.654 0.000 1.833 667 C HN 0.987 8.762 8.230 -0.758 0.000 0.532 668 Y N 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1.085 671 L CA 2.446 57.244 54.840 -0.070 0.000 0.755 671 L CB 0.104 42.081 42.059 -0.137 0.000 0.904 671 L HN 0.201 8.409 8.230 -0.036 0.000 0.435 672 L N -1.244 120.015 121.223 0.061 0.000 1.989 672 L HA -0.475 3.923 4.340 0.097 0.000 0.211 672 L C 1.616 178.534 176.870 0.080 0.000 1.071 672 L CA 3.380 58.273 54.840 0.088 0.000 0.749 672 L CB -0.726 41.397 42.059 0.107 0.000 0.890 672 L HN -0.625 7.638 8.230 0.054 0.000 0.431 673 N N -1.683 117.063 118.700 0.076 0.000 2.166 673 N HA -0.373 4.396 4.740 0.048 0.000 0.186 673 N C 2.476 178.029 175.510 0.071 0.000 1.019 673 N CA 3.058 56.148 53.050 0.066 0.000 0.856 673 N CB -0.136 38.388 38.487 0.062 0.000 0.993 673 N HN -0.479 8.246 8.380 0.070 -0.303 0.426 674 F N 1.221 121.154 119.950 -0.029 0.000 2.134 674 F HA -0.298 4.220 4.527 -0.016 0.000 0.299 674 F C 2.272 178.046 175.800 -0.042 0.000 1.097 674 F CA 3.264 61.244 58.000 -0.035 0.000 1.264 674 F CB 0.292 39.256 39.000 -0.061 0.000 1.001 674 F HN -0.672 7.773 8.300 0.242 0.000 0.479 675 L N -1.723 119.518 121.223 0.030 0.000 2.083 675 L HA -0.391 3.894 4.340 -0.090 0.000 0.209 675 L C 1.709 178.508 176.870 -0.119 0.000 1.083 675 L CA 2.688 57.496 54.840 -0.054 0.000 0.752 675 L CB -0.342 41.727 42.059 0.016 0.000 0.899 675 L HN 0.043 8.349 8.230 0.126 0.000 0.433 676 R N -4.349 116.110 120.500 -0.068 0.000 2.193 676 R HA -0.132 4.177 4.340 -0.052 0.000 0.213 676 R C 0.835 177.078 176.300 -0.095 0.000 1.055 676 R CA 0.983 57.050 56.100 -0.056 0.000 0.995 676 R CB 0.470 30.769 30.300 -0.003 0.000 0.893 676 R HN -0.517 7.646 8.270 -0.030 0.089 0.459 697 L N 1.952 123.077 121.223 -0.164 0.000 2.305 697 L HA 0.169 4.440 4.340 -0.117 0.000 0.281 697 L C 0.093 176.865 176.870 -0.164 0.000 1.085 697 L CA -0.094 54.653 54.840 -0.154 0.000 0.813 697 L CB 0.881 42.833 42.059 -0.178 0.000 1.157 697 L HN 0.224 8.341 8.230 -0.189 0.000 0.436 698 S N 3.785 119.390 115.700 -0.158 0.000 2.664 698 S HA 0.361 4.757 4.470 -0.123 0.000 0.304 698 S C -0.653 173.850 174.600 -0.163 0.000 1.099 698 S CA -1.365 56.748 58.200 -0.144 0.000 1.003 698 S CB 2.175 65.296 63.200 -0.132 0.000 1.092 698 S HN 0.218 8.644 8.310 -0.163 -0.214 0.525 754 D N 2.265 122.382 120.400 -0.472 0.000 2.117 754 D HA -0.194 4.097 4.640 -0.580 0.000 0.197 754 D C 1.521 177.303 176.300 -0.863 0.000 0.987 754 D CA 3.292 56.920 54.000 -0.619 0.000 0.829 754 D CB 0.248 40.753 40.800 -0.493 0.000 0.961 754 D HN -0.367 7.788 8.370 -0.358 0.000 0.460 755 L N -1.360 119.535 121.223 -0.547 0.000 2.046 755 L HA -0.338 3.761 4.340 -0.402 0.000 0.208 755 L C 2.236 178.956 176.870 -0.250 0.000 1.077 755 L CA 2.992 57.553 54.840 -0.465 0.000 0.747 755 L CB -0.188 41.504 42.059 -0.611 0.000 0.896 755 L HN -0.698 7.284 8.230 -0.414 0.000 0.432 756 L N -2.243 118.919 121.223 -0.103 0.000 2.083 756 L HA -0.429 4.087 4.340 0.294 0.000 0.209 756 L C 2.453 179.373 176.870 0.085 0.000 1.083 756 L CA 3.202 58.093 54.840 0.086 0.000 0.752 756 L CB -0.603 41.468 42.059 0.020 0.000 0.899 756 L HN -0.456 7.680 8.230 -0.157 0.000 0.433 757 H N -1.017 117.990 119.070 -0.105 0.000 2.353 757 H HA -0.289 4.266 4.556 -0.002 0.000 0.300 757 H C 2.443 177.804 175.328 0.055 0.000 1.090 757 H CA 2.664 58.668 56.048 -0.073 0.000 1.327 757 H CB -0.071 29.583 29.762 -0.180 0.000 1.383 757 H HN -0.281 7.730 8.280 -0.314 0.081 0.508 758 F N -0.330 119.719 119.950 0.165 0.000 2.126 758 F HA -0.282 4.453 4.527 0.112 -0.141 0.299 758 F C 2.559 178.456 175.800 0.163 0.000 1.096 758 F CA 2.712 60.781 58.000 0.114 0.000 1.255 758 F CB -0.117 38.908 39.000 0.042 0.000 0.997 758 F HN -0.200 7.963 8.300 -0.229 0.000 0.479 759 S N -0.918 115.005 115.700 0.372 0.000 2.368 759 S HA -0.309 4.396 4.470 0.392 0.000 0.225 759 S C 2.366 177.216 174.600 0.417 0.000 1.030 759 S CA 3.526 61.964 58.200 0.397 0.000 0.999 759 S CB -0.746 62.712 63.200 0.431 0.000 0.844 759 S HN -0.415 8.076 8.310 0.309 0.005 0.459 760 S N 2.874 118.766 115.700 0.320 0.000 2.368 760 S HA -0.254 4.370 4.470 0.256 0.000 0.224 760 S C 1.994 176.727 174.600 0.221 0.000 1.029 760 S CA 3.254 61.606 58.200 0.254 0.000 0.988 760 S CB -0.377 62.947 63.200 0.207 0.000 0.838 760 S HN -0.274 8.215 8.310 0.298 0.000 0.462 761 Q N 2.344 122.280 119.800 0.227 0.000 2.061 761 Q HA -0.299 4.300 4.340 0.161 -0.162 0.204 761 Q C 2.725 178.845 176.000 0.200 0.000 0.984 761 Q CA 3.310 59.230 55.803 0.195 0.000 0.846 761 Q CB 0.162 29.021 28.738 0.201 0.000 0.902 761 Q HN -0.152 8.268 8.270 0.250 0.000 0.421 762 V N -0.142 119.922 119.914 0.251 0.000 2.343 762 V HA -0.530 3.702 4.120 0.186 0.000 0.247 762 V C 1.771 177.950 176.094 0.143 0.000 1.051 762 V CA 4.022 66.467 62.300 0.242 0.000 1.036 762 V CB -0.214 31.820 31.823 0.352 0.000 0.654 762 V HN -0.246 8.121 8.190 0.295 0.000 0.451 763 A N -1.431 121.492 122.820 0.172 0.000 1.978 763 A HA -0.413 3.717 4.320 -0.317 0.000 0.220 763 A C 2.132 179.672 177.584 -0.073 0.000 1.170 763 A CA 3.236 55.229 52.037 -0.073 0.000 0.636 763 A CB -0.891 18.119 19.000 0.017 0.000 0.810 763 A HN -0.365 7.966 8.150 0.301 0.000 0.448 764 Q N -1.204 118.621 119.800 0.042 0.000 2.083 764 Q HA -0.227 4.157 4.340 0.073 0.000 0.198 764 Q C 3.204 179.177 176.000 -0.044 0.000 0.969 764 Q CA 3.056 58.906 55.803 0.078 0.000 0.838 764 Q CB 0.217 29.071 28.738 0.194 0.000 0.900 764 Q HN -0.291 8.019 8.270 0.097 0.018 0.436 765 G N -0.494 108.283 108.800 -0.039 0.000 2.408 765 G HA2 -0.287 3.473 3.960 -0.335 0.000 0.217 765 G HA3 -0.287 3.659 3.960 -0.024 0.000 0.217 765 G C 1.332 176.099 174.900 -0.221 0.000 1.150 765 G CA 2.052 47.067 45.100 -0.142 0.000 0.776 765 G HN -0.272 8.041 8.290 0.039 0.000 0.542 766 M N 1.339 120.711 119.600 -0.380 0.000 2.200 766 M HA -0.251 3.857 4.480 -0.620 0.000 0.265 766 M C 2.009 177.931 176.300 -0.630 0.000 1.066 766 M CA 0.767 55.605 55.300 -0.771 0.000 1.127 766 M CB -1.231 30.345 32.600 -1.707 0.000 1.379 766 M HN -0.187 7.894 8.290 -0.349 0.000 0.420 767 A N -0.157 122.457 122.820 -0.345 0.000 1.930 767 A HA -0.236 4.094 4.320 0.017 0.000 0.217 767 A C 1.857 179.399 177.584 -0.071 0.000 1.175 767 A CA 2.974 54.969 52.037 -0.071 0.000 0.627 767 A CB -1.093 17.934 19.000 0.045 0.000 0.815 767 A HN -0.057 7.913 8.150 -0.301 0.000 0.443 768 F N 0.373 120.146 119.950 -0.295 0.000 2.069 768 F HA -0.349 4.054 4.527 -0.207 0.000 0.298 768 F C 1.573 177.229 175.800 -0.239 0.000 1.113 768 F CA 3.186 60.999 58.000 -0.312 0.000 1.214 768 F CB 0.204 38.804 39.000 -0.668 0.000 0.978 768 F HN -0.553 7.697 8.300 -0.084 0.000 0.474 769 L N -1.960 119.040 121.223 -0.371 0.000 2.012 769 L HA -0.530 3.466 4.340 -0.574 0.000 0.210 769 L C 2.302 178.968 176.870 -0.339 0.000 1.073 769 L CA 3.008 57.574 54.840 -0.456 0.000 0.748 769 L CB -0.785 40.990 42.059 -0.472 0.000 0.891 769 L HN -0.481 7.604 8.230 -0.242 0.000 0.431 770 A N -1.727 120.967 122.820 -0.210 0.000 1.940 770 A HA -0.295 3.987 4.320 -0.063 0.000 0.219 770 A C 2.551 180.073 177.584 -0.104 0.000 1.176 770 A CA 2.952 54.942 52.037 -0.078 0.000 0.631 770 A CB -0.578 18.469 19.000 0.080 0.000 0.814 770 A HN 0.068 8.092 8.150 -0.211 0.000 0.446 771 S N -3.749 111.861 115.700 -0.151 0.000 2.474 771 S HA -0.194 4.235 4.470 -0.068 0.000 0.235 771 S C 0.929 175.422 174.600 -0.178 0.000 0.997 771 S CA 2.433 60.556 58.200 -0.129 0.000 0.949 771 S CB -0.445 62.693 63.200 -0.104 0.000 0.766 771 S HN -0.277 7.823 8.310 -0.181 0.102 0.517 772 K N -0.372 119.859 120.400 -0.282 0.000 2.397 772 K HA 0.176 4.384 4.320 -0.187 0.000 0.202 772 K C -0.705 175.806 176.600 -0.148 0.000 1.022 772 K CA -1.652 54.485 56.287 -0.250 0.000 1.141 772 K CB -0.676 31.572 32.500 -0.419 0.000 0.857 772 K HN -0.409 7.466 8.250 -0.340 0.172 0.514 773 N N -2.931 115.692 118.700 -0.128 0.000 2.735 773 N HA -0.448 4.243 4.740 -0.081 0.000 0.248 773 N C -1.985 173.468 175.510 -0.095 0.000 1.083 773 N CA 1.029 54.024 53.050 -0.092 0.000 0.703 773 N CB -2.184 36.253 38.487 -0.082 0.000 1.005 773 N HN -0.339 7.794 8.380 -0.130 0.170 0.550 774 C N -1.195 118.016 119.300 -0.147 0.000 2.322 774 C HA 0.542 5.104 4.460 -0.113 -0.170 0.324 774 C C -1.294 173.571 174.990 -0.207 0.000 1.284 774 C CA -1.916 56.998 59.018 -0.173 0.000 1.606 774 C CB 1.675 29.272 27.740 -0.239 0.000 2.251 774 C HN -0.480 7.633 8.230 -0.182 0.008 0.502 775 I N 3.665 124.144 120.570 -0.153 0.000 2.437 775 I HA 0.639 4.866 4.170 -0.100 -0.116 0.298 775 I C -1.328 174.662 176.117 -0.212 0.000 0.984 775 I CA -1.752 59.481 61.300 -0.111 0.000 1.214 775 I CB 2.507 40.511 38.000 0.007 0.000 1.365 775 I HN 0.620 8.763 8.210 -0.110 0.000 0.469 776 H N 8.540 127.424 119.070 -0.311 0.000 2.361 776 H HA 0.064 4.070 4.556 -0.916 0.000 0.308 776 H C 0.808 176.155 175.328 0.032 0.000 1.053 776 H CA 2.560 58.369 56.048 -0.398 0.000 1.377 776 H CB 2.274 31.838 29.762 -0.329 0.000 1.434 776 H HN 0.435 9.181 8.280 0.013 -0.459 0.548 777 R N -6.436 114.278 120.500 0.356 0.000 3.954 777 R HA -0.298 4.249 4.340 0.345 0.000 0.422 777 R C -1.534 174.992 176.300 0.377 0.000 1.091 777 R CA 1.743 58.020 56.100 0.294 0.000 1.168 777 R CB -1.641 28.648 30.300 -0.019 0.000 1.752 777 R HN -0.364 8.403 8.270 0.327 -0.300 0.547 778 D N -1.897 118.839 120.400 0.561 0.000 3.078 778 D HA 0.161 4.967 4.640 0.277 0.000 0.363 778 D C -0.967 175.480 176.300 0.244 0.000 1.391 778 D CA -0.628 53.599 54.000 0.378 0.000 0.754 778 D CB 1.067 42.088 40.800 0.368 0.000 1.238 778 D HN -0.473 8.431 8.370 0.988 0.059 0.500 779 V N 0.024 119.962 119.914 0.040 0.000 2.572 779 V HA -0.281 3.643 4.120 -0.326 0.000 0.291 779 V C -2.001 174.154 176.094 0.103 0.000 1.039 779 V CA 0.968 63.205 62.300 -0.106 0.000 1.055 779 V CB 0.206 32.021 31.823 -0.014 0.000 0.969 779 V HN -0.061 8.205 8.190 0.126 0.000 0.482 780 A N 2.511 125.387 122.820 0.092 0.000 2.571 780 A HA 0.037 4.657 4.320 0.324 -0.105 0.296 780 A C -1.062 176.605 177.584 0.137 0.000 1.005 780 A CA -0.664 51.411 52.037 0.063 0.000 0.682 780 A CB 2.112 20.767 19.000 -0.575 0.000 1.292 780 A HN -0.587 7.622 8.150 0.097 0.000 0.420 781 A N 0.878 123.834 122.820 0.227 0.000 1.940 781 A HA -0.287 4.122 4.320 0.148 0.000 0.219 781 A C 1.725 179.378 177.584 0.115 0.000 1.176 781 A CA 3.256 55.395 52.037 0.170 0.000 0.631 781 A CB -0.154 18.964 19.000 0.197 0.000 0.814 781 A HN 0.433 9.093 8.150 0.358 -0.296 0.446 782 R N -4.589 115.964 120.500 0.088 0.000 2.200 782 R HA -0.250 4.127 4.340 0.062 0.000 0.234 782 R C 0.336 176.704 176.300 0.114 0.000 1.127 782 R CA 2.163 58.303 56.100 0.067 0.000 0.989 782 R CB -0.673 29.645 30.300 0.030 0.000 0.869 782 R HN 0.250 8.561 8.270 0.069 0.000 0.459 783 N N -1.310 117.504 118.700 0.190 0.000 2.273 783 N HA 0.171 5.220 4.740 0.513 0.000 0.231 783 N C -2.004 173.785 175.510 0.465 0.000 1.134 783 N CA -0.312 52.985 53.050 0.412 0.000 0.856 783 N CB 1.080 39.814 38.487 0.413 0.000 1.068 783 N HN -0.324 7.979 8.380 0.152 0.168 0.510 784 V N 0.071 120.145 119.914 0.266 0.000 2.495 784 V HA 0.395 4.840 4.120 0.295 -0.149 0.298 784 V C -1.952 174.201 176.094 0.097 0.000 1.031 784 V CA -0.916 61.510 62.300 0.210 0.000 0.871 784 V CB 2.313 34.205 31.823 0.115 0.000 0.988 784 V HN -0.674 7.569 8.190 0.184 0.057 0.432 785 L N 5.461 126.739 121.223 0.092 0.000 2.330 785 L HA 0.657 5.098 4.340 -0.082 -0.150 0.271 785 L C -1.372 175.454 176.870 -0.073 0.000 1.013 785 L CA -1.958 52.859 54.840 -0.038 0.000 0.816 785 L CB 3.392 45.410 42.059 -0.068 0.000 1.287 785 L HN 0.446 8.777 8.230 0.169 0.000 0.435 786 L N -0.686 120.458 121.223 -0.130 0.000 2.305 786 L HA 0.565 5.030 4.340 -0.096 -0.182 0.284 786 L C -0.749 176.063 176.870 -0.098 0.000 1.013 786 L CA -1.093 53.673 54.840 -0.122 0.000 0.819 786 L CB 1.631 43.550 42.059 -0.234 0.000 1.227 786 L HN 0.447 8.594 8.230 -0.139 0.000 0.417 787 T N 2.579 117.088 114.554 -0.076 0.000 2.855 787 T HA 0.275 4.439 4.350 -0.310 0.000 0.275 787 T C -1.259 173.390 174.700 -0.084 0.000 1.022 787 T CA -2.972 59.029 62.100 -0.166 0.000 0.977 787 T CB 2.485 71.267 68.868 -0.144 0.000 1.559 787 T HN 0.341 8.558 8.240 -0.039 0.000 0.600 788 N N 0.912 119.531 118.700 -0.135 0.000 2.293 788 N HA -0.320 4.425 4.740 0.009 0.000 0.253 788 N C 1.371 176.924 175.510 0.071 0.000 1.248 788 N CA 2.630 55.667 53.050 -0.021 0.000 0.845 788 N CB -0.196 38.264 38.487 -0.045 0.000 1.073 788 N HN 0.381 8.655 8.380 -0.176 0.000 0.464 789 G N 2.407 111.296 108.800 0.149 0.000 2.155 789 G HA2 -0.438 3.635 3.960 0.188 0.000 0.257 789 G HA3 -0.438 3.587 3.960 0.109 0.000 0.257 789 G C -0.232 174.806 174.900 0.229 0.000 0.983 789 G CA 0.500 45.697 45.100 0.162 0.000 0.676 789 G HN 0.608 9.014 8.290 0.193 0.000 0.528 790 H N -3.942 115.204 119.070 0.127 0.000 2.741 790 H HA -0.523 4.132 4.556 0.040 -0.075 0.305 790 H C -0.895 174.500 175.328 0.112 0.000 1.169 790 H CA 1.183 57.249 56.048 0.030 0.000 1.144 790 H CB -2.871 26.819 29.762 -0.119 0.000 1.397 790 H HN -0.105 8.167 8.280 0.060 0.044 0.409 791 V N -0.861 119.138 119.914 0.142 0.000 2.555 791 V HA -0.211 4.139 4.120 0.159 -0.135 0.286 791 V C -1.297 174.853 176.094 0.094 0.000 1.044 791 V CA 0.543 62.914 62.300 0.119 0.000 1.026 791 V CB 0.696 32.551 31.823 0.054 0.000 0.981 791 V HN -0.916 7.316 8.190 0.105 0.021 0.480 792 A N 8.198 131.100 122.820 0.136 0.000 2.327 792 A HA 0.783 5.333 4.320 0.025 -0.215 0.283 792 A C -1.214 176.432 177.584 0.105 0.000 1.127 792 A CA -1.404 50.688 52.037 0.091 0.000 0.810 792 A CB 1.671 20.750 19.000 0.132 0.000 1.066 792 A HN 0.451 9.032 8.150 0.188 -0.319 0.492 793 K N 0.522 120.985 120.400 0.107 0.000 2.426 793 K HA 0.646 5.150 4.320 0.155 -0.091 0.251 793 K C -1.033 175.704 176.600 0.229 0.000 0.941 793 K CA -1.566 54.812 56.287 0.152 0.000 0.808 793 K CB 4.581 37.154 32.500 0.122 0.000 1.265 793 K HN 0.264 8.566 8.250 0.088 0.000 0.432 794 I N -3.098 117.627 120.570 0.258 0.000 2.863 794 I HA 0.833 5.216 4.170 0.356 0.000 0.311 794 I C -1.442 174.801 176.117 0.210 0.000 1.026 794 I CA -3.117 58.372 61.300 0.315 0.000 1.077 794 I CB 3.485 41.710 38.000 0.375 0.000 1.262 794 I HN 0.105 8.458 8.210 0.239 0.000 0.461 795 G N -0.484 108.135 108.800 -0.301 0.000 2.600 795 G HA2 0.063 3.628 3.960 -0.659 0.000 0.293 795 G HA3 0.063 3.482 3.960 -0.902 0.000 0.293 795 G C -2.598 171.166 174.900 -1.894 0.000 1.408 795 G CA -0.426 44.090 45.100 -0.973 0.000 0.782 795 G HN -0.039 7.953 8.290 -0.497 0.000 0.482 796 D N -0.659 118.549 120.400 -1.987 0.000 2.456 796 D HA 0.136 3.668 4.640 -1.846 0.000 0.219 796 D C -1.087 174.711 176.300 -0.838 0.000 1.126 796 D CA -1.078 51.861 54.000 -1.769 0.000 0.890 796 D CB -1.152 38.587 40.800 -1.770 0.000 1.025 796 D HN 0.160 7.553 8.370 -1.629 0.000 0.511 797 F N 2.732 122.472 119.950 -0.350 0.000 2.641 797 F HA 0.147 4.550 4.527 -0.206 0.000 0.302 797 F C 1.074 176.784 175.800 -0.150 0.000 1.098 797 F CA -1.064 56.818 58.000 -0.197 0.000 1.318 797 F CB 0.071 39.008 39.000 -0.106 0.000 1.035 797 F HN -0.288 7.601 8.300 -0.685 0.000 0.551 798 G N 0.937 109.699 108.800 -0.062 0.000 2.448 798 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.219 798 G HA3 -0.280 3.646 3.960 -0.057 0.000 0.219 798 G C 0.377 175.258 174.900 -0.032 0.000 1.127 798 G CA 1.962 47.040 45.100 -0.036 0.000 0.766 798 G HN -0.473 7.880 8.290 -0.193 -0.179 0.552 799 L N -2.130 119.071 121.223 -0.036 0.000 2.446 799 L HA -0.032 4.311 4.340 0.005 0.000 0.219 799 L C -0.483 176.376 176.870 -0.017 0.000 1.116 799 L CA 0.701 55.533 54.840 -0.015 0.000 0.844 799 L CB 0.351 42.396 42.059 -0.023 0.000 0.970 799 L HN -0.070 8.105 8.230 -0.054 0.022 0.457 800 A N -4.644 118.165 122.820 -0.018 0.000 2.503 800 A HA 0.208 4.555 4.320 -0.049 -0.056 0.263 800 A C -0.861 176.693 177.584 -0.050 0.000 1.258 800 A CA -0.968 51.047 52.037 -0.037 0.000 0.936 800 A CB 0.994 19.973 19.000 -0.036 0.000 1.070 800 A HN -0.738 7.381 8.150 0.001 0.032 0.522 801 R N -0.134 120.338 120.500 -0.046 0.000 2.265 801 R HA -0.062 4.245 4.340 -0.055 0.000 0.314 801 R C -0.771 175.445 176.300 -0.139 0.000 1.053 801 R CA -1.140 54.917 56.100 -0.072 0.000 0.931 801 R CB 0.728 30.997 30.300 -0.052 0.000 1.024 801 R HN -0.828 7.362 8.270 -0.039 0.056 0.457 802 D N 7.574 127.902 120.400 -0.121 0.000 2.662 802 D HA -0.059 4.580 4.640 -0.135 -0.080 0.228 802 D C 0.493 176.685 176.300 -0.180 0.000 1.093 802 D CA -0.134 53.788 54.000 -0.129 0.000 1.075 802 D CB -1.236 39.515 40.800 -0.080 0.000 1.122 802 D HN 0.508 8.823 8.370 -0.091 0.000 0.475 803 I N 2.558 122.954 120.570 -0.289 0.000 2.353 803 I HA -0.408 3.346 4.170 -0.694 0.000 0.248 803 I C 1.402 177.390 176.117 -0.214 0.000 1.119 803 I CA 3.020 64.038 61.300 -0.470 0.000 1.417 803 I CB 0.239 37.894 38.000 -0.576 0.000 1.078 803 I HN -0.147 7.871 8.210 -0.269 0.030 0.421 804 M N -3.609 115.904 119.600 -0.146 0.000 2.319 804 M HA -0.256 4.189 4.480 -0.058 0.000 0.265 804 M C 0.476 176.753 176.300 -0.038 0.000 1.068 804 M CA 1.966 57.218 55.300 -0.080 0.000 1.118 804 M CB -0.855 31.685 32.600 -0.099 0.000 1.395 804 M HN 0.066 8.259 8.290 -0.161 0.000 0.435 805 N N -3.603 115.072 118.700 -0.041 0.000 2.214 805 N HA 0.112 4.849 4.740 -0.005 0.000 0.214 805 N C -1.200 174.323 175.510 0.022 0.000 1.132 805 N CA -0.377 52.666 53.050 -0.012 0.000 0.856 805 N CB 0.941 39.411 38.487 -0.027 0.000 1.020 805 N HN -0.621 7.825 8.380 -0.064 -0.104 0.509 806 D N -0.173 120.258 120.400 0.050 0.000 2.414 806 D HA 0.209 4.910 4.640 0.102 0.000 0.232 806 D C 0.269 176.677 176.300 0.181 0.000 1.070 806 D CA -1.166 52.910 54.000 0.126 0.000 0.839 806 D CB 1.288 42.198 40.800 0.184 0.000 1.079 806 D HN -0.936 7.392 8.370 0.033 0.062 0.521 807 S N 6.677 122.455 115.700 0.130 0.000 2.555 807 S HA -0.096 4.437 4.470 0.106 0.000 0.230 807 S C 0.610 175.280 174.600 0.117 0.000 0.978 807 S CA 1.383 59.649 58.200 0.109 0.000 0.934 807 S CB -0.130 63.113 63.200 0.072 0.000 0.766 807 S HN 0.507 8.883 8.310 0.110 0.000 0.533 808 N N 0.217 119.002 118.700 0.142 0.000 2.459 808 N HA -0.043 4.767 4.740 0.117 0.000 0.181 808 N C -0.627 174.848 175.510 -0.057 0.000 1.046 808 N CA 1.871 54.970 53.050 0.082 0.000 0.904 808 N CB 0.846 39.366 38.487 0.055 0.000 0.964 808 N HN -0.487 8.254 8.380 0.166 -0.262 0.444 809 Y N -1.489 118.845 120.300 0.056 0.000 2.341 809 Y HA 0.111 4.878 4.550 0.075 -0.172 0.340 809 Y C -0.798 175.135 175.900 0.054 0.000 0.997 809 Y CA -0.163 57.971 58.100 0.056 0.000 1.149 809 Y CB 0.386 38.867 38.460 0.034 0.000 1.171 809 Y HN -0.471 8.022 8.280 0.394 0.024 0.494 810 I N 3.757 124.425 120.570 0.164 0.000 2.331 810 I HA 0.191 4.420 4.170 0.098 0.000 0.292 810 I C 0.869 177.061 176.117 0.125 0.000 0.998 810 I CA -2.588 58.781 61.300 0.115 0.000 1.267 810 I CB -0.367 37.683 38.000 0.083 0.000 1.386 810 I HN 0.577 8.767 8.210 0.149 0.109 0.476 817 L N 1.790 123.169 121.223 0.260 0.000 2.370 817 L HA 0.545 5.074 4.340 0.315 0.000 0.266 817 L C -2.772 174.171 176.870 0.121 0.000 1.002 817 L CA -2.690 52.297 54.840 0.245 0.000 0.818 817 L CB 3.463 45.637 42.059 0.191 0.000 1.325 817 L HN 0.058 8.465 8.230 0.212 -0.050 0.418 818 P HA 0.432 4.861 4.420 -0.371 -0.231 0.231 818 P C 0.490 177.893 177.300 0.172 0.000 1.811 818 P CA -1.137 61.848 63.100 -0.191 0.000 1.051 818 P CB -1.458 29.992 31.700 -0.418 0.000 1.951 819 V N 3.089 123.082 119.914 0.131 0.000 2.392 819 V HA -0.446 3.765 4.120 0.151 0.000 0.249 819 V C 1.748 177.939 176.094 0.163 0.000 1.059 819 V CA 3.441 65.821 62.300 0.133 0.000 1.051 819 V CB -0.098 31.763 31.823 0.064 0.000 0.658 819 V HN -0.428 7.785 8.190 0.077 0.023 0.455 820 K N -3.210 117.266 120.400 0.126 0.000 2.442 820 K HA -0.230 4.107 4.320 0.028 0.000 0.198 820 K C 0.610 177.288 176.600 0.130 0.000 1.042 820 K CA 2.569 58.873 56.287 0.028 0.000 0.958 820 K CB -0.683 31.673 32.500 -0.240 0.000 0.766 820 K HN 0.214 8.556 8.250 0.153 0.000 0.474 821 W N -4.466 116.957 121.300 0.206 0.000 3.107 821 W HA 0.145 5.015 4.660 0.350 0.000 0.293 821 W C -1.596 175.137 176.519 0.357 0.000 1.239 821 W CA -0.196 57.322 57.345 0.289 0.000 1.653 821 W CB 1.349 30.928 29.460 0.197 0.000 1.068 821 W HN -0.501 8.061 8.180 0.717 0.048 0.615 822 M N -2.565 117.272 119.600 0.395 0.000 2.249 822 M HA 0.118 4.725 4.480 0.212 0.000 0.351 822 M C -0.380 175.748 176.300 -0.287 0.000 1.180 822 M CA -0.301 55.081 55.300 0.137 0.000 1.127 822 M CB 1.683 34.312 32.600 0.048 0.000 1.546 822 M HN -0.862 7.526 8.290 0.348 0.111 0.461 823 A N 2.402 124.891 122.820 -0.552 0.000 2.425 823 A HA 0.085 2.853 4.320 -2.588 0.000 0.242 823 A C -0.457 176.585 177.584 -0.903 0.000 1.077 823 A CA -1.641 49.651 52.037 -1.241 0.000 0.781 823 A CB -0.973 17.662 19.000 -0.608 0.000 1.020 823 A HN 0.348 8.332 8.150 -0.276 0.000 0.494 824 P HA -0.306 3.658 4.420 -0.759 0.000 0.215 824 P C 0.848 177.897 177.300 -0.418 0.000 1.153 824 P CA 2.256 64.992 63.100 -0.607 0.000 0.853 824 P CB -0.076 31.459 31.700 -0.276 0.000 0.788 825 E N -3.344 116.673 120.200 -0.306 0.000 2.153 825 E HA -0.308 3.985 4.350 -0.094 0.000 0.194 825 E C 1.848 178.277 176.600 -0.284 0.000 0.988 825 E CA 3.148 59.432 56.400 -0.193 0.000 0.811 825 E CB -1.947 27.666 29.700 -0.145 0.000 0.746 825 E HN 0.579 8.737 8.360 -0.336 0.000 0.466 826 S N 0.606 116.051 115.700 -0.425 0.000 2.406 826 S HA -0.143 4.163 4.470 -0.628 -0.213 0.228 826 S C 1.951 176.273 174.600 -0.463 0.000 1.020 826 S CA 3.042 60.893 58.200 -0.582 0.000 0.965 826 S CB -0.342 62.394 63.200 -0.772 0.000 0.798 826 S HN -0.698 7.245 8.310 -0.443 0.101 0.488 827 I N 0.278 120.538 120.570 -0.517 0.000 2.333 827 I HA -0.370 3.582 4.170 -0.363 0.000 0.246 827 I C 1.676 177.488 176.117 -0.508 0.000 1.106 827 I CA 3.720 64.677 61.300 -0.571 0.000 1.411 827 I CB 0.207 37.662 38.000 -0.909 0.000 1.082 827 I HN -0.546 7.225 8.210 -0.589 0.086 0.420 828 F N -3.233 116.616 119.950 -0.169 0.000 2.698 828 F HA -0.064 4.361 4.527 -0.169 0.000 0.295 828 F C 0.787 176.510 175.800 -0.128 0.000 1.124 828 F CA 1.213 59.120 58.000 -0.156 0.000 1.426 828 F CB -0.106 38.804 39.000 -0.150 0.000 1.120 828 F HN 0.129 8.109 8.300 -0.534 0.000 0.583 829 D N -3.544 116.851 120.400 -0.009 0.000 2.525 829 D HA 0.225 4.864 4.640 -0.001 0.000 0.231 829 D C -0.356 175.909 176.300 -0.058 0.000 1.216 829 D CA 0.012 53.997 54.000 -0.024 0.000 0.813 829 D CB 1.565 42.351 40.800 -0.023 0.000 1.108 829 D HN -0.325 7.994 8.370 -0.085 0.000 0.524 830 C N -2.199 117.032 119.300 -0.116 0.000 4.233 830 C HA -0.511 4.002 4.460 -0.178 -0.159 0.292 830 C C -0.486 174.444 174.990 -0.100 0.000 1.469 830 C CA 0.943 59.900 59.018 -0.103 0.000 2.013 830 C CB -1.933 25.821 27.740 0.024 0.000 1.282 830 C HN -0.369 7.770 8.230 -0.152 0.000 0.796 831 V N -0.031 119.776 119.914 -0.178 0.000 2.498 831 V HA -0.106 4.015 4.120 0.002 0.000 0.279 831 V C -1.795 174.167 176.094 -0.221 0.000 1.048 831 V CA 0.561 62.798 62.300 -0.104 0.000 0.967 831 V CB 0.945 32.720 31.823 -0.080 0.000 0.988 831 V HN -0.960 7.067 8.190 -0.198 0.045 0.473 832 Y N 4.740 125.046 120.300 0.010 0.000 2.373 832 Y HA 0.199 4.767 4.550 0.030 0.000 0.336 832 Y C -0.513 175.404 175.900 0.029 0.000 0.979 832 Y CA -0.949 57.168 58.100 0.027 0.000 1.080 832 Y CB 2.896 41.380 38.460 0.041 0.000 1.190 832 Y HN 0.222 8.626 8.280 0.206 0.000 0.446 833 T N -0.409 114.257 114.554 0.187 0.000 2.778 833 T HA 0.310 4.725 4.350 0.109 0.000 0.293 833 T C -0.233 174.548 174.700 0.136 0.000 1.144 833 T CA -2.180 59.993 62.100 0.121 0.000 1.010 833 T CB 2.529 71.439 68.868 0.070 0.000 1.325 833 T HN 0.390 8.740 8.240 0.183 0.000 0.515 834 V N 0.946 120.923 119.914 0.105 0.000 2.332 834 V HA -0.505 3.732 4.120 0.195 0.000 0.248 834 V C 1.507 177.672 176.094 0.119 0.000 1.055 834 V CA 4.005 66.392 62.300 0.145 0.000 1.038 834 V CB -0.092 31.801 31.823 0.116 0.000 0.651 834 V HN 0.216 8.452 8.190 0.077 0.000 0.450 835 Q N -1.716 118.119 119.800 0.058 0.000 2.181 835 Q HA -0.278 4.043 4.340 -0.031 0.000 0.205 835 Q C 2.816 178.888 176.000 0.120 0.000 0.980 835 Q CA 3.422 59.247 55.803 0.036 0.000 0.862 835 Q CB -0.614 28.145 28.738 0.034 0.000 0.905 835 Q HN 0.512 8.813 8.270 0.052 0.000 0.429 836 S N 0.057 115.839 115.700 0.137 0.000 2.383 836 S HA -0.254 4.313 4.470 0.162 0.000 0.227 836 S C 1.574 176.352 174.600 0.297 0.000 1.026 836 S CA 3.117 61.420 58.200 0.171 0.000 0.981 836 S CB -0.708 62.543 63.200 0.085 0.000 0.818 836 S HN -0.421 7.872 8.310 0.117 0.087 0.472 837 D N 2.743 123.326 120.400 0.304 0.000 2.144 837 D HA -0.196 4.677 4.640 0.388 0.000 0.199 837 D C 2.392 178.984 176.300 0.487 0.000 0.984 837 D CA 3.164 57.405 54.000 0.401 0.000 0.834 837 D CB -0.460 40.593 40.800 0.421 0.000 0.955 837 D HN -0.671 7.772 8.370 0.265 0.086 0.465 838 V N 0.072 120.130 119.914 0.240 0.000 2.407 838 V HA -0.460 3.603 4.120 -0.094 0.000 0.248 838 V C 1.335 177.601 176.094 0.286 0.000 1.055 838 V CA 3.979 66.281 62.300 0.003 0.000 1.049 838 V CB -0.174 31.450 31.823 -0.333 0.000 0.662 838 V HN -0.510 7.671 8.190 0.142 0.094 0.455 839 W N 0.420 121.835 121.300 0.191 0.000 2.338 839 W HA -0.252 4.793 4.660 0.346 -0.178 0.304 839 W C 1.496 178.262 176.519 0.413 0.000 1.212 839 W CA 3.333 60.866 57.345 0.313 0.000 1.264 839 W CB -0.246 29.371 29.460 0.261 0.000 1.142 839 W HN -0.606 7.869 8.180 0.492 0.000 0.512 840 S N -0.773 115.345 115.700 0.696 0.000 2.406 840 S HA -0.232 4.784 4.470 0.714 -0.117 0.228 840 S C 1.895 176.810 174.600 0.524 0.000 1.020 840 S CA 3.057 61.639 58.200 0.637 0.000 0.965 840 S CB -0.579 62.948 63.200 0.546 0.000 0.798 840 S HN -0.661 7.949 8.310 0.646 0.087 0.488 841 Y N 3.128 123.657 120.300 0.380 0.000 2.165 841 Y HA -0.418 4.329 4.550 0.328 0.000 0.286 841 Y C 1.566 177.616 175.900 0.249 0.000 1.155 841 Y CA 3.465 61.766 58.100 0.334 0.000 1.164 841 Y CB -0.070 38.660 38.460 0.450 0.000 0.978 841 Y HN -0.137 8.441 8.280 0.628 0.078 0.513 842 G N -1.547 107.350 108.800 0.162 0.000 2.418 842 G HA2 -0.405 3.406 3.960 -0.250 0.000 0.217 842 G HA3 -0.405 3.293 3.960 -0.438 0.000 0.217 842 G C 1.296 176.318 174.900 0.204 0.000 1.158 842 G CA 2.101 47.121 45.100 -0.134 0.000 0.771 842 G HN -0.397 8.045 8.290 0.253 0.000 0.545 843 I N 1.955 122.789 120.570 0.439 0.000 2.226 843 I HA -0.367 4.042 4.170 0.398 0.000 0.245 843 I C 1.525 177.841 176.117 0.331 0.000 1.100 843 I CA 1.851 63.354 61.300 0.340 0.000 1.374 843 I CB -1.140 36.925 38.000 0.109 0.000 1.057 843 I HN -0.728 7.751 8.210 0.449 0.000 0.413 844 L N 1.279 122.688 121.223 0.310 0.000 2.046 844 L HA -0.162 4.610 4.340 0.390 -0.198 0.208 844 L C 1.967 178.942 176.870 0.176 0.000 1.077 844 L CA 3.006 58.004 54.840 0.264 0.000 0.747 844 L CB -0.268 41.880 42.059 0.148 0.000 0.896 844 L HN -0.425 7.907 8.230 0.298 0.077 0.432 845 L N -2.073 119.182 121.223 0.054 0.000 2.046 845 L HA -0.420 4.039 4.340 0.199 0.000 0.208 845 L C 2.118 179.220 176.870 0.387 0.000 1.077 845 L CA 3.394 58.336 54.840 0.170 0.000 0.747 845 L CB -0.629 41.446 42.059 0.028 0.000 0.896 845 L HN -0.285 7.829 8.230 -0.060 0.080 0.432 846 W N -0.121 121.295 121.300 0.195 0.000 2.358 846 W HA -0.385 4.428 4.660 0.255 0.000 0.303 846 W C 1.753 178.383 176.519 0.186 0.000 1.208 846 W CA 4.036 61.514 57.345 0.222 0.000 1.274 846 W CB 0.166 29.767 29.460 0.235 0.000 1.138 846 W HN -0.432 8.057 8.180 0.515 0.000 0.515 847 E N -0.901 119.580 120.200 0.467 0.000 2.085 847 E HA -0.460 4.063 4.350 0.289 0.000 0.194 847 E C 2.601 179.259 176.600 0.096 0.000 0.994 847 E CA 2.982 59.557 56.400 0.292 0.000 0.801 847 E CB -0.179 29.741 29.700 0.367 0.000 0.743 847 E HN -0.529 8.142 8.360 0.518 0.000 0.453 848 I N -0.259 120.366 120.570 0.092 0.000 2.142 848 I HA -0.444 3.703 4.170 -0.039 0.000 0.240 848 I C 2.273 178.263 176.117 -0.213 0.000 1.078 848 I CA 4.146 65.403 61.300 -0.070 0.000 1.343 848 I CB 0.234 38.151 38.000 -0.138 0.000 1.046 848 I HN -0.293 8.012 8.210 0.158 0.000 0.405 849 F N -3.325 116.615 119.950 -0.017 0.000 2.811 849 F HA -0.131 4.414 4.527 0.029 0.000 0.301 849 F C 0.342 176.088 175.800 -0.090 0.000 1.151 849 F CA 1.952 59.935 58.000 -0.028 0.000 1.412 849 F CB -0.400 38.589 39.000 -0.020 0.000 1.113 849 F HN -0.060 8.380 8.300 0.234 0.000 0.579 850 S N -1.213 114.390 115.700 -0.162 0.000 2.556 850 S HA -0.048 4.350 4.470 -0.120 0.000 0.216 850 S C 0.171 174.727 174.600 -0.073 0.000 0.970 850 S CA -0.321 57.729 58.200 -0.249 0.000 0.912 850 S CB 0.175 62.883 63.200 -0.820 0.000 0.790 850 S HN -0.363 7.781 8.310 -0.224 0.031 0.504 851 L N -2.237 118.940 121.223 -0.077 0.000 3.634 851 L HA -0.437 3.905 4.340 -0.113 -0.070 0.423 851 L C -0.443 176.401 176.870 -0.042 0.000 1.253 851 L CA 0.744 55.524 54.840 -0.100 0.000 0.885 851 L CB -3.192 38.761 42.059 -0.176 0.000 1.789 851 L HN -0.332 7.671 8.230 -0.086 0.175 0.904 852 G N -5.944 102.855 108.800 -0.001 0.000 2.131 852 G HA2 -0.439 3.591 3.960 0.115 0.000 0.223 852 G HA3 -0.439 3.556 3.960 0.057 0.000 0.223 852 G C -0.448 174.520 174.900 0.113 0.000 0.990 852 G CA -0.391 44.752 45.100 0.072 0.000 0.671 852 G HN 0.395 8.677 8.290 -0.012 0.000 0.521 853 L N -1.148 120.129 121.223 0.091 0.000 2.467 853 L HA -0.199 4.240 4.340 0.164 0.000 0.270 853 L C -0.438 176.649 176.870 0.360 0.000 1.205 853 L CA 0.120 55.080 54.840 0.199 0.000 0.828 853 L CB 0.331 42.500 42.059 0.183 0.000 1.101 853 L HN -0.802 7.424 8.230 -0.007 0.000 0.479 854 N N 0.909 119.783 118.700 0.290 0.000 2.497 854 N HA 0.013 4.913 4.740 0.267 0.000 0.268 854 N C -1.751 173.854 175.510 0.158 0.000 1.171 854 N CA -1.751 51.440 53.050 0.235 0.000 0.948 854 N CB 0.951 39.537 38.487 0.165 0.000 1.069 854 N HN 0.140 8.661 8.380 0.234 0.000 0.460 855 P HA -0.106 3.704 4.420 -1.016 0.000 0.269 855 P C -0.804 176.279 177.300 -0.362 0.000 1.217 855 P CA 0.626 63.370 63.100 -0.593 0.000 0.783 855 P CB 0.495 31.698 31.700 -0.828 0.000 0.898 856 Y N -5.272 114.717 120.300 -0.520 0.000 2.988 856 Y HA -0.381 4.044 4.550 -0.208 0.000 0.193 856 Y C -2.190 173.637 175.900 -0.121 0.000 1.388 856 Y CA -0.082 57.872 58.100 -0.244 0.000 0.904 856 Y CB -2.297 36.080 38.460 -0.138 0.000 1.297 856 Y HN -0.183 7.328 8.280 -1.282 0.000 0.432 857 P HA -0.190 4.287 4.420 0.095 0.000 0.260 857 P C 0.932 178.276 177.300 0.072 0.000 1.172 857 P CA 1.180 64.338 63.100 0.095 0.000 0.760 857 P CB -0.238 31.558 31.700 0.159 0.000 0.773 858 G N 2.416 111.246 108.800 0.050 0.000 2.189 858 G HA2 -0.445 3.530 3.960 0.024 0.000 0.267 858 G HA3 -0.445 3.536 3.960 0.035 0.000 0.267 858 G C -0.434 174.469 174.900 0.005 0.000 0.975 858 G CA 0.235 45.353 45.100 0.029 0.000 0.644 858 G HN 0.442 8.762 8.290 0.050 0.000 0.537 859 I N 2.401 122.971 120.570 -0.001 0.000 2.315 859 I HA 0.036 4.183 4.170 -0.038 0.000 0.291 859 I C -0.706 175.346 176.117 -0.109 0.000 1.006 859 I CA -0.313 60.964 61.300 -0.038 0.000 1.265 859 I CB 0.546 38.541 38.000 -0.007 0.000 1.387 859 I HN -0.289 7.866 8.210 0.019 0.067 0.475 860 L N 6.245 127.403 121.223 -0.108 0.000 2.436 860 L HA 0.057 4.309 4.340 -0.147 0.000 0.265 860 L C -0.433 176.281 176.870 -0.259 0.000 1.168 860 L CA -0.551 54.201 54.840 -0.146 0.000 0.815 860 L CB 0.591 42.599 42.059 -0.084 0.000 1.109 860 L HN 0.337 8.519 8.230 -0.079 0.000 0.462 861 V N 2.669 122.378 119.914 -0.343 0.000 2.405 861 V HA -0.132 3.548 4.120 -0.733 0.000 0.264 861 V C -1.119 174.835 176.094 -0.234 0.000 1.048 861 V CA 1.091 63.094 62.300 -0.494 0.000 0.966 861 V CB -0.210 31.308 31.823 -0.507 0.000 1.015 861 V HN 0.233 8.254 8.190 -0.281 0.000 0.477 862 N N 5.825 124.411 118.700 -0.191 0.000 3.339 862 N HA 0.176 4.964 4.740 0.079 0.000 0.275 862 N C -0.271 175.293 175.510 0.089 0.000 1.514 862 N CA -0.828 52.223 53.050 0.001 0.000 0.879 862 N CB 0.892 39.382 38.487 0.004 0.000 1.557 862 N HN -0.526 7.715 8.380 -0.232 0.000 0.524 863 S N -0.146 115.668 115.700 0.191 0.000 2.389 863 S HA -0.498 4.213 4.470 0.402 0.000 0.231 863 S C 1.597 176.281 174.600 0.139 0.000 1.052 863 S CA 4.141 62.482 58.200 0.235 0.000 1.053 863 S CB -0.314 62.959 63.200 0.122 0.000 0.886 863 S HN 0.339 8.743 8.310 0.155 0.000 0.456 864 K N 0.909 121.338 120.400 0.048 0.000 2.097 864 K HA -0.300 4.008 4.320 -0.019 0.000 0.206 864 K C 2.119 178.678 176.600 -0.069 0.000 1.049 864 K CA 2.763 59.041 56.287 -0.016 0.000 0.933 864 K CB -0.156 32.322 32.500 -0.036 0.000 0.717 864 K HN -0.671 7.763 8.250 0.040 -0.160 0.442 865 F N 1.224 121.031 119.950 -0.239 0.000 2.075 865 F HA -0.431 3.866 4.527 -0.383 0.000 0.297 865 F C 1.391 177.012 175.800 -0.298 0.000 1.113 865 F CA 3.619 61.386 58.000 -0.387 0.000 1.218 865 F CB 0.003 38.662 39.000 -0.568 0.000 0.984 865 F HN -0.716 7.708 8.300 0.029 -0.107 0.472 866 Y N -2.898 117.356 120.300 -0.077 0.000 2.165 866 Y HA -0.612 3.880 4.550 -0.098 0.000 0.286 866 Y C 2.244 178.106 175.900 -0.063 0.000 1.155 866 Y CA 3.532 61.630 58.100 -0.004 0.000 1.164 866 Y CB -0.391 38.232 38.460 0.272 0.000 0.978 866 Y HN -0.662 7.526 8.280 -0.154 0.000 0.513 867 K N -1.047 119.375 120.400 0.036 0.000 2.097 867 K HA -0.324 3.958 4.320 -0.064 0.000 0.206 867 K C 2.147 178.688 176.600 -0.098 0.000 1.049 867 K CA 3.156 59.413 56.287 -0.050 0.000 0.933 867 K CB -0.274 32.198 32.500 -0.047 0.000 0.717 867 K HN -0.594 7.689 8.250 0.055 0.000 0.442 868 L N -1.461 119.646 121.223 -0.193 0.000 1.994 868 L HA -0.331 3.941 4.340 -0.114 0.000 0.208 868 L C 2.047 178.848 176.870 -0.115 0.000 1.071 868 L CA 3.136 57.855 54.840 -0.201 0.000 0.745 868 L CB -0.176 41.628 42.059 -0.426 0.000 0.892 868 L HN -0.418 7.564 8.230 -0.247 0.099 0.431 869 V N -4.303 115.445 119.914 -0.275 0.000 2.427 869 V HA -0.362 3.763 4.120 0.007 0.000 0.248 869 V C 2.485 178.606 176.094 0.045 0.000 1.051 869 V CA 2.978 65.208 62.300 -0.117 0.000 1.048 869 V CB -0.209 31.438 31.823 -0.295 0.000 0.666 869 V HN -0.433 7.456 8.190 -0.501 0.000 0.456 870 K N 0.040 120.477 120.400 0.062 0.000 2.147 870 K HA -0.300 4.087 4.320 0.113 0.000 0.205 870 K C 1.296 177.901 176.600 0.008 0.000 1.049 870 K CA 2.793 59.109 56.287 0.047 0.000 0.936 870 K CB -0.075 32.346 32.500 -0.131 0.000 0.722 870 K HN -0.367 7.910 8.250 0.045 0.000 0.446 871 D N -3.869 116.534 120.400 0.006 0.000 2.339 871 D HA 0.053 4.693 4.640 0.001 0.000 0.217 871 D C -0.187 176.147 176.300 0.057 0.000 1.050 871 D CA 0.229 54.238 54.000 0.015 0.000 0.856 871 D CB 0.823 41.624 40.800 0.001 0.000 0.922 871 D HN -0.545 7.693 8.370 -0.003 0.129 0.518 872 G N -2.680 106.176 108.800 0.093 0.000 2.144 872 G HA2 -0.426 3.622 3.960 0.146 0.000 0.218 872 G HA3 -0.426 3.588 3.960 0.090 0.000 0.218 872 G C -0.607 174.359 174.900 0.110 0.000 0.988 872 G CA -0.226 44.942 45.100 0.114 0.000 0.659 872 G HN -0.709 7.468 8.290 0.098 0.172 0.522 873 Y N 1.881 122.184 120.300 0.005 0.000 2.610 873 Y HA -0.234 4.320 4.550 0.005 0.000 0.332 873 Y C -1.367 174.521 175.900 -0.021 0.000 1.201 873 Y CA 1.300 59.395 58.100 -0.009 0.000 1.465 873 Y CB 0.798 39.231 38.460 -0.045 0.000 1.283 873 Y HN -0.623 7.790 8.280 0.221 0.000 0.563 874 Q N 6.619 125.934 119.800 -0.808 0.000 2.372 874 Q HA 0.246 4.196 4.340 -0.650 0.000 0.273 874 Q C -1.176 174.309 176.000 -0.859 0.000 1.078 874 Q CA -1.771 53.625 55.803 -0.678 0.000 0.806 874 Q CB 3.549 32.153 28.738 -0.224 0.000 1.332 874 Q HN -0.066 7.627 8.270 -0.963 0.000 0.435 875 M N 1.512 120.679 119.600 -0.721 0.000 2.252 875 M HA -0.224 4.045 4.480 -0.353 0.000 0.321 875 M C 0.880 177.186 176.300 0.010 0.000 1.070 875 M CA 0.508 55.538 55.300 -0.449 0.000 1.143 875 M CB 0.402 32.450 32.600 -0.919 0.000 1.498 875 M HN 0.144 7.858 8.290 -0.960 0.000 0.445 876 A N 1.056 123.934 122.820 0.096 0.000 2.386 876 A HA 0.034 4.396 4.320 0.069 0.000 0.248 876 A C -0.384 177.239 177.584 0.066 0.000 1.082 876 A CA -0.533 51.563 52.037 0.098 0.000 0.789 876 A CB 0.600 19.636 19.000 0.060 0.000 1.025 876 A HN 0.307 8.506 8.150 0.081 0.000 0.490 877 Q N 1.407 120.868 119.800 -0.566 0.000 2.308 877 Q HA -0.181 3.457 4.340 -1.170 0.000 0.313 877 Q C -1.382 174.426 176.000 -0.319 0.000 1.075 877 Q CA -0.821 54.439 55.803 -0.906 0.000 0.995 877 Q CB 0.072 28.154 28.738 -1.094 0.000 1.107 877 Q HN 0.370 8.243 8.270 -0.661 0.000 0.380 878 P HA 0.100 4.322 4.420 -0.329 0.000 0.272 878 P C -0.224 176.917 177.300 -0.264 0.000 1.230 878 P CA -0.654 62.248 63.100 -0.330 0.000 0.788 878 P CB 0.661 32.075 31.700 -0.478 0.000 0.949 879 A N 0.744 123.381 122.820 -0.305 0.000 2.024 879 A HA -0.151 3.917 4.320 -0.420 0.000 0.220 879 A C 0.419 177.600 177.584 -0.673 0.000 1.164 879 A CA 2.170 53.897 52.037 -0.517 0.000 0.643 879 A CB -0.141 18.448 19.000 -0.685 0.000 0.806 879 A HN 0.478 8.458 8.150 -0.283 0.000 0.451 880 F N -5.439 114.485 119.950 -0.043 0.000 2.653 880 F HA 0.098 4.632 4.527 0.011 0.000 0.304 880 F C -0.798 175.089 175.800 0.145 0.000 1.092 880 F CA -0.982 57.042 58.000 0.041 0.000 1.279 880 F CB 0.711 39.736 39.000 0.041 0.000 1.044 880 F HN -0.702 7.587 8.300 0.023 0.025 0.564 881 A N 2.262 125.149 122.820 0.113 0.000 2.302 881 A HA 0.237 4.408 4.320 -0.247 0.000 0.295 881 A C -2.412 175.092 177.584 -0.134 0.000 1.235 881 A CA -2.188 49.775 52.037 -0.124 0.000 0.876 881 A CB -0.698 18.169 19.000 -0.223 0.000 1.133 881 A HN -0.676 7.479 8.150 0.008 0.000 0.533 882 P HA -0.015 4.369 4.420 -0.061 0.000 0.267 882 P C 0.495 177.745 177.300 -0.084 0.000 1.201 882 P CA -0.801 62.243 63.100 -0.093 0.000 0.775 882 P CB 0.706 32.355 31.700 -0.085 0.000 0.854 883 K N 2.140 122.521 120.400 -0.031 0.000 2.097 883 K HA -0.345 4.010 4.320 0.059 0.000 0.206 883 K C 1.984 178.613 176.600 0.049 0.000 1.049 883 K CA 3.471 59.776 56.287 0.029 0.000 0.933 883 K CB -0.289 32.228 32.500 0.029 0.000 0.717 883 K HN 0.383 8.615 8.250 -0.030 0.000 0.442 884 N N -2.653 116.065 118.700 0.030 0.000 2.244 884 N HA -0.270 4.560 4.740 0.150 0.000 0.183 884 N C 1.764 177.333 175.510 0.098 0.000 1.016 884 N CA 2.640 55.752 53.050 0.105 0.000 0.866 884 N CB -0.243 38.290 38.487 0.077 0.000 0.980 884 N HN 0.084 8.466 8.380 0.004 0.000 0.430 885 I N -0.411 120.124 120.570 -0.057 0.000 2.353 885 I HA -0.341 3.783 4.170 -0.077 0.000 0.248 885 I C 1.297 177.335 176.117 -0.131 0.000 1.119 885 I CA 0.989 62.184 61.300 -0.175 0.000 1.417 885 I CB -1.004 36.642 38.000 -0.591 0.000 1.078 885 I HN -0.686 7.351 8.210 -0.105 0.110 0.421 886 Y N 1.306 121.477 120.300 -0.214 0.000 2.333 886 Y HA -0.471 3.954 4.550 -0.209 0.000 0.290 886 Y C 1.480 177.272 175.900 -0.179 0.000 1.144 886 Y CA 2.689 60.681 58.100 -0.180 0.000 1.228 886 Y CB -0.595 37.800 38.460 -0.110 0.000 0.985 886 Y HN -0.423 7.801 8.280 0.036 0.078 0.542 887 S N 0.022 115.624 115.700 -0.162 0.000 2.423 887 S HA -0.273 4.166 4.470 -0.339 -0.173 0.231 887 S C 1.713 176.130 174.600 -0.305 0.000 1.014 887 S CA 2.803 60.855 58.200 -0.247 0.000 0.965 887 S CB -0.150 62.980 63.200 -0.116 0.000 0.785 887 S HN -0.392 7.782 8.310 -0.038 0.114 0.495 888 I N 2.279 122.721 120.570 -0.213 0.000 2.202 888 I HA -0.533 3.501 4.170 -0.227 0.000 0.242 888 I C 1.301 177.172 176.117 -0.409 0.000 1.091 888 I CA 3.455 64.628 61.300 -0.211 0.000 1.368 888 I CB -0.197 37.798 38.000 -0.010 0.000 1.058 888 I HN -0.742 7.299 8.210 -0.119 0.098 0.410 889 M N -0.862 118.391 119.600 -0.578 0.000 2.082 889 M HA -0.620 3.164 4.480 -1.160 0.000 0.258 889 M C 2.426 177.863 176.300 -1.439 0.000 1.069 889 M CA 4.487 59.085 55.300 -1.169 0.000 1.102 889 M CB -0.397 31.486 32.600 -1.195 0.000 1.336 889 M HN -0.717 7.296 8.290 -0.462 0.000 0.404 890 Q N -2.221 117.005 119.800 -0.957 0.000 2.084 890 Q HA -0.282 3.800 4.340 -0.429 0.000 0.202 890 Q C 2.875 178.642 176.000 -0.388 0.000 0.978 890 Q CA 2.714 58.167 55.803 -0.582 0.000 0.844 890 Q CB -0.176 28.265 28.738 -0.495 0.000 0.898 890 Q HN -0.416 7.323 8.270 -0.884 0.000 0.426 891 A N -0.517 122.071 122.820 -0.385 0.000 1.902 891 A HA -0.252 3.960 4.320 -0.179 0.000 0.217 891 A C 1.931 179.380 177.584 -0.225 0.000 1.181 891 A CA 2.968 54.853 52.037 -0.253 0.000 0.623 891 A CB -0.434 18.412 19.000 -0.257 0.000 0.818 891 A HN -0.433 7.462 8.150 -0.426 0.000 0.443 892 C N -3.288 115.789 119.300 -0.372 0.000 2.419 892 C HA -0.272 4.100 4.460 -0.147 0.000 0.281 892 C C 1.220 176.104 174.990 -0.177 0.000 1.336 892 C CA 3.977 62.820 59.018 -0.291 0.000 1.770 892 C CB -0.080 27.419 27.740 -0.402 0.000 1.929 892 C HN -0.137 7.718 8.230 -0.497 0.077 0.509 893 W N -3.199 117.882 121.300 -0.364 0.000 3.325 893 W HA -0.003 3.991 4.660 -1.110 0.000 0.370 893 W C -0.760 175.713 176.519 -0.077 0.000 1.169 893 W CA -2.335 54.625 57.345 -0.642 0.000 1.874 893 W CB -1.773 27.181 29.460 -0.843 0.000 1.076 893 W HN -0.672 7.098 8.180 -0.440 0.146 0.684 894 A N 0.472 123.417 122.820 0.209 0.000 2.546 894 A HA -0.154 4.276 4.320 0.183 0.000 0.243 894 A C 0.285 178.068 177.584 0.333 0.000 1.063 894 A CA 0.442 52.612 52.037 0.222 0.000 0.757 894 A CB 0.722 19.819 19.000 0.162 0.000 0.991 894 A HN -0.685 7.482 8.150 0.117 0.053 0.503 895 L N 2.036 123.407 121.223 0.248 0.000 2.141 895 L HA -0.280 4.236 4.340 0.294 0.000 0.209 895 L C 0.426 177.345 176.870 0.083 0.000 1.094 895 L CA 1.652 56.612 54.840 0.201 0.000 0.763 895 L CB 0.240 42.370 42.059 0.118 0.000 0.908 895 L HN 0.272 8.614 8.230 0.187 0.000 0.437 896 E N -0.850 119.353 120.200 0.005 0.000 2.180 896 E HA 0.181 4.485 4.350 -0.076 0.000 0.283 896 E C -0.968 175.637 176.600 0.009 0.000 1.061 896 E CA -2.661 53.685 56.400 -0.090 0.000 0.861 896 E CB 0.859 30.323 29.700 -0.393 0.000 1.056 896 E HN -0.424 7.921 8.360 -0.007 0.011 0.407 897 P HA -0.105 4.377 4.420 0.102 0.000 0.218 897 P C 0.490 177.832 177.300 0.070 0.000 1.149 897 P CA 2.108 65.246 63.100 0.063 0.000 0.817 897 P CB 0.163 31.883 31.700 0.033 0.000 0.785 898 T N -7.157 107.440 114.554 0.072 0.000 3.072 898 T HA -0.212 4.181 4.350 0.072 0.000 0.266 898 T C 0.534 175.364 174.700 0.216 0.000 1.127 898 T CA 1.838 64.007 62.100 0.114 0.000 1.107 898 T CB -0.872 68.063 68.868 0.112 0.000 0.910 898 T HN -0.087 8.164 8.240 0.043 0.015 0.513 899 H N -0.193 118.877 119.070 0.000 0.000 2.539 899 H HA 0.130 4.672 4.556 -0.024 0.000 0.267 899 H C -0.041 175.270 175.328 -0.028 0.000 0.982 899 H CA 0.371 56.411 56.048 -0.013 0.000 1.146 899 H CB -0.224 29.538 29.762 -0.001 0.000 1.382 899 H HN -0.576 7.709 8.280 0.245 0.142 0.577 900 R N -0.048 120.507 120.500 0.093 0.000 2.539 900 R HA 0.179 4.665 4.340 -0.007 -0.151 0.275 900 R C -1.644 174.616 176.300 -0.067 0.000 1.077 900 R CA -1.778 54.326 56.100 0.006 0.000 1.097 900 R CB 0.100 30.416 30.300 0.027 0.000 1.018 900 R HN -0.773 7.406 8.270 0.107 0.156 0.483 901 P HA 0.081 4.548 4.420 -0.129 -0.124 0.273 901 P C -0.457 176.715 177.300 -0.214 0.000 1.250 901 P CA -0.541 62.466 63.100 -0.155 0.000 0.793 901 P CB 0.856 32.452 31.700 -0.173 0.000 1.011 902 T N -4.364 110.082 114.554 -0.180 0.000 2.902 902 T HA 0.234 4.413 4.350 -0.285 0.000 0.280 902 T C 1.456 176.020 174.700 -0.227 0.000 0.992 902 T CA -2.187 59.791 62.100 -0.204 0.000 1.015 902 T CB 2.613 71.437 68.868 -0.072 0.000 1.044 902 T HN -0.187 8.253 8.240 -0.131 -0.279 0.520 903 F N 0.690 120.592 119.950 -0.080 0.000 2.171 903 F HA -0.361 4.054 4.527 -0.185 0.000 0.300 903 F C 1.705 177.460 175.800 -0.075 0.000 1.090 903 F CA 5.672 63.595 58.000 -0.128 0.000 1.293 903 F CB -0.021 38.889 39.000 -0.149 0.000 1.013 903 F HN 0.535 8.772 8.300 -0.105 0.000 0.486 904 Q N -1.504 118.376 119.800 0.134 0.000 2.084 904 Q HA -0.365 4.036 4.340 0.103 0.000 0.202 904 Q C 2.158 178.199 176.000 0.068 0.000 0.978 904 Q CA 3.146 59.003 55.803 0.090 0.000 0.844 904 Q CB -0.984 27.797 28.738 0.070 0.000 0.898 904 Q HN 0.004 8.351 8.270 0.128 0.000 0.426 905 Q N -0.167 119.652 119.800 0.032 0.000 2.084 905 Q HA -0.320 4.044 4.340 0.039 0.000 0.202 905 Q C 2.738 178.775 176.000 0.062 0.000 0.978 905 Q CA 3.265 59.082 55.803 0.023 0.000 0.844 905 Q CB -0.111 28.606 28.738 -0.035 0.000 0.898 905 Q HN -0.532 7.745 8.270 0.011 0.000 0.426 906 I N 0.107 120.702 120.570 0.043 0.000 2.179 906 I HA -0.521 3.731 4.170 0.137 0.000 0.242 906 I C 1.688 177.903 176.117 0.162 0.000 1.088 906 I CA 4.259 65.620 61.300 0.102 0.000 1.357 906 I CB -0.198 37.818 38.000 0.027 0.000 1.051 906 I HN -0.419 7.792 8.210 0.002 0.000 0.409 907 C N -0.975 118.402 119.300 0.128 0.000 2.432 907 C HA -0.570 3.973 4.460 0.138 0.000 0.277 907 C C 1.796 176.861 174.990 0.125 0.000 1.249 907 C CA 5.713 64.808 59.018 0.127 0.000 1.725 907 C CB -0.456 27.349 27.740 0.109 0.000 2.028 907 C HN -0.002 8.295 8.230 0.112 0.000 0.477 908 S N 0.521 116.294 115.700 0.122 0.000 2.353 908 S HA -0.395 4.130 4.470 0.092 0.000 0.222 908 S C 1.745 176.435 174.600 0.151 0.000 1.035 908 S CA 3.538 61.807 58.200 0.116 0.000 1.025 908 S CB -0.223 63.038 63.200 0.103 0.000 0.902 908 S HN -0.165 8.213 8.310 0.114 0.000 0.440 909 F N 1.868 121.832 119.950 0.023 0.000 2.134 909 F HA -0.177 4.356 4.527 0.010 0.000 0.299 909 F C 1.442 177.261 175.800 0.032 0.000 1.097 909 F CA 2.909 60.919 58.000 0.016 0.000 1.264 909 F CB 0.330 39.331 39.000 0.001 0.000 1.001 909 F HN -0.405 8.083 8.300 0.314 0.000 0.479 910 L N -1.453 119.808 121.223 0.062 0.000 2.046 910 L HA -0.410 3.866 4.340 -0.106 0.000 0.208 910 L C 2.055 178.902 176.870 -0.039 0.000 1.077 910 L CA 2.443 57.277 54.840 -0.010 0.000 0.747 910 L CB -0.145 41.990 42.059 0.128 0.000 0.896 910 L HN -0.245 8.094 8.230 0.181 0.000 0.432 911 Q N -2.172 117.634 119.800 0.010 0.000 2.084 911 Q HA -0.237 4.120 4.340 0.029 0.000 0.202 911 Q C 1.362 177.341 176.000 -0.035 0.000 0.978 911 Q CA 1.734 57.544 55.803 0.012 0.000 0.844 911 Q CB 0.411 29.170 28.738 0.035 0.000 0.898 911 Q HN -0.222 8.073 8.270 0.042 0.000 0.426 912 E N 0.000 120.156 120.200 -0.073 0.000 2.725 912 E HA 0.000 4.304 4.350 -0.077 0.000 0.291 912 E CA 0.000 56.326 56.400 -0.124 0.000 0.976 912 E CB 0.000 29.619 29.700 -0.135 0.000 0.812 912 E HN 0.000 8.328 8.360 -0.053 0.000 0.440