MODEL 1 1 1 MET .704 1.810 1.374 4 4 8 2 2 THR .501 1.531 1.072 4 3 7 3 3 GLU .385 1.152 .896 4 5 9 4 4 VAL .223 .275 .247 4 3 7 5 5 TYR .313 3.292 2.694 4 8 12 6 6 ASP .373 1.265 .933 4 4 8 7 7 LEU .393 1.094 .822 4 4 8 8 8 GLU .505 .920 .764 4 5 9 9 9 ILE .456 .679 .578 4 4 8 10 10 THR .328 .892 .635 4 3 7 11 11 THR .303 .345 .321 4 3 7 12 12 ASN .324 2.195 1.569 4 4 8 13 13 ALA .329 .351 .333 4 1 5 14 14 THR .270 .327 .296 4 3 7 15 15 ASP .502 1.254 .955 4 4 8 16 16 PHE .515 3.156 2.536 4 7 11 17 17 PRO .484 .556 .516 4 3 7 18 18 MET .451 .837 .672 4 4 8 19 19 GLU .317 1.135 .872 4 5 9 20 20 LYS .189 .979 .740 4 5 9 21 21 LYS .240 .618 .488 4 5 9 22 22 TYR .458 1.520 1.269 4 8 12 23 23 PRO .459 .507 .480 4 3 7 24 24 ALA .404 .333 .391 4 1 5 25 25 GLY .565 .000 .565 4 0 4 26 26 MET .387 1.367 1.004 4 4 8 27 27 SER .355 .513 .414 4 2 6 28 28 LEU .252 .654 .496 4 4 8 29 29 ASN .145 .460 .341 4 4 8 30 30 ASP .199 1.011 .729 4 4 8 31 31 LEU .185 .898 .648 4 4 8 32 32 LYS .177 .597 .460 4 5 9 33 33 LYS .187 .644 .496 4 5 9 34 34 LYS .205 1.486 1.116 4 5 9 35 35 LEU .163 .372 .287 4 4 8 36 36 GLU .336 1.783 1.348 4 5 9 37 37 LEU .414 .546 .485 4 4 8 38 38 VAL .227 .230 .228 4 3 7 39 39 VAL .183 .185 .184 4 3 7 40 40 GLY .325 .000 .325 4 0 4 41 41 THR .397 .433 .413 4 3 7 42 42 THR .581 .295 .480 4 3 7 43 43 VAL .408 .200 .335 4 3 7 44 44 ASP .877 1.317 1.119 4 4 8 45 45 SER .546 .924 .695 4 2 6 46 46 MET .428 1.084 .824 4 4 8 47 47 ARG .305 1.299 1.053 4 7 11 48 48 ILE .325 .878 .662 4 4 8 49 49 GLN .142 1.199 .899 4 5 9 50 50 LEU .297 1.242 .903 4 4 8 51 51 PHE .299 1.035 .845 4 7 11 52 52 ASP .579 1.394 1.067 4 4 8 53 53 GLY 1.321 .000 1.321 4 0 4 54 54 ASP .924 1.359 1.162 4 4 8 55 55 ASP 1.078 1.836 1.505 4 4 8 56 56 GLN .843 1.784 1.443 4 5 9 57 57 LEU .681 1.100 .915 4 4 8 58 58 LYS .420 1.182 .925 4 5 9 59 59 GLY .519 .000 .519 4 0 4 60 60 GLU .425 1.488 1.145 4 5 9 61 61 LEU .411 .987 .756 4 4 8 62 62 THR .579 .703 .635 4 3 7 63 63 ASP 1.133 1.490 1.324 4 4 8 64 64 GLY .231 .000 .231 4 0 4 65 65 ALA .457 .386 .444 4 1 5 66 66 LYS .608 1.723 1.346 4 5 9 67 67 SER .432 .781 .573 4 2 6 68 68 LEU .238 .443 .356 4 4 8 69 69 LYS .289 1.321 1.003 4 5 9 70 70 ASP .374 .906 .693 4 4 8 71 71 LEU .240 .205 .223 4 4 8 72 72 GLY .228 .000 .228 4 0 4 73 73 VAL .254 .188 .228 4 3 7 74 74 ARG .220 1.314 1.056 4 7 11 75 75 ASP .263 1.094 .796 4 4 8 76 76 GLY .204 .000 .204 4 0 4 77 77 TYR .237 .920 .764 4 8 12 78 78 ARG .368 1.605 1.300 4 7 11 79 79 ILE .408 .523 .469 4 4 8 80 80 HIS .292 .455 .398 4 6 10 81 81 ALA .289 .194 .273 4 1 5 82 82 VAL .348 .278 .320 4 3 7 83 83 ASP .543 1.322 1.010 4 4 8 84 84 VAL .449 .800 .624 4 3 7 85 85 THR .500 1.110 .819 4 3 7 86 86 GLY .684 .000 .684 4 0 4 87 87 GLY .953 .000 .953 4 0 4 88 88 ASN 1.240 1.875 1.589 4 4 8 89 89 GLU 2.586 2.502 2.540 4 5 9 90 90 ASP 3.875 4.405 4.186 3 4 7 ENDMDL Model RMS deviations: .6598 1.4028 1.0834 359 334 693 MODEL 2 1 1 MET 1.103 1.360 1.238 4 4 8 2 2 THR .574 .954 .761 4 3 7 3 3 GLU .518 1.142 .919 4 5 9 4 4 VAL .285 .161 .240 4 3 7 5 5 TYR .417 3.122 2.561 4 8 12 6 6 ASP .570 1.691 1.262 4 4 8 7 7 LEU .403 1.060 .802 4 4 8 8 8 GLU .395 .767 .629 4 5 9 9 9 ILE .337 .399 .369 4 4 8 10 10 THR .261 .818 .571 4 3 7 11 11 THR .178 .263 .218 4 3 7 12 12 ASN .422 .973 .750 4 4 8 13 13 ALA .601 .756 .635 4 1 5 14 14 THR .520 .679 .593 4 3 7 15 15 ASP .610 1.325 1.032 4 4 8 16 16 PHE .693 2.004 1.652 4 7 11 17 17 PRO .733 .702 .720 4 3 7 18 18 MET .667 .659 .663 4 4 8 19 19 GLU .701 1.072 .926 4 5 9 20 20 LYS .410 .672 .571 4 5 9 21 21 LYS .362 .926 .731 4 5 9 22 22 TYR .214 .892 .739 4 8 12 23 23 PRO .274 .403 .336 4 3 7 24 24 ALA .250 .221 .245 4 1 5 25 25 GLY .251 .000 .251 4 0 4 26 26 MET .322 1.223 .895 4 4 8 27 27 SER .354 .605 .453 4 2 6 28 28 LEU .261 .664 .505 4 4 8 29 29 ASN .228 .470 .369 4 4 8 30 30 ASP .241 .782 .579 4 4 8 31 31 LEU .230 1.327 .952 4 4 8 32 32 LYS .142 .706 .535 4 5 9 33 33 LYS .086 .775 .581 4 5 9 34 34 LYS .083 1.347 1.006 4 5 9 35 35 LEU .167 .412 .314 4 4 8 36 36 GLU .196 1.754 1.314 4 5 9 37 37 LEU .108 .212 .168 4 4 8 38 38 VAL .147 .171 .158 4 3 7 39 39 VAL .132 .208 .169 4 3 7 40 40 GLY .323 .000 .323 4 0 4 41 41 THR .432 .519 .471 4 3 7 42 42 THR .541 .884 .709 4 3 7 43 43 VAL .598 .511 .562 4 3 7 44 44 ASP .843 1.744 1.370 4 4 8 45 45 SER .223 .574 .378 4 2 6 46 46 MET .178 1.107 .793 4 4 8 47 47 ARG .254 1.289 1.039 4 7 11 48 48 ILE .271 .843 .626 4 4 8 49 49 GLN .218 .964 .733 4 5 9 50 50 LEU .246 .470 .375 4 4 8 51 51 PHE .250 .803 .658 4 7 11 52 52 ASP .756 2.037 1.536 4 4 8 53 53 GLY 1.524 .000 1.524 4 0 4 54 54 ASP 1.463 1.354 1.410 4 4 8 55 55 ASP .790 1.311 1.082 4 4 8 56 56 GLN .362 1.374 1.052 4 5 9 57 57 LEU .354 .692 .550 4 4 8 58 58 LYS .436 .632 .553 4 5 9 59 59 GLY .356 .000 .356 4 0 4 60 60 GLU .253 .955 .731 4 5 9 61 61 LEU .258 1.272 .918 4 4 8 62 62 THR .431 .496 .460 4 3 7 63 63 ASP .967 1.033 1.000 4 4 8 64 64 GLY .404 .000 .404 4 0 4 65 65 ALA .560 .671 .584 4 1 5 66 66 LYS .482 1.204 .953 4 5 9 67 67 SER .383 .683 .503 4 2 6 68 68 LEU .406 .656 .545 4 4 8 69 69 LYS .346 1.273 .976 4 5 9 70 70 ASP .279 .781 .586 4 4 8 71 71 LEU .292 .655 .507 4 4 8 72 72 GLY .407 .000 .407 4 0 4 73 73 VAL .567 .459 .523 4 3 7 74 74 ARG .580 1.487 1.236 4 7 11 75 75 ASP .317 1.392 1.009 4 4 8 76 76 GLY .569 .000 .569 4 0 4 77 77 TYR .132 .840 .690 4 8 12 78 78 ARG .176 1.080 .868 4 7 11 79 79 ILE .187 .867 .627 4 4 8 80 80 HIS .079 .081 .080 4 6 10 81 81 ALA .091 .193 .118 4 1 5 82 82 VAL .160 .288 .224 4 3 7 83 83 ASP .208 1.616 1.152 4 4 8 84 84 VAL .503 .636 .564 4 3 7 85 85 THR .560 .677 .613 4 3 7 86 86 GLY .844 .000 .844 4 0 4 87 87 GLY .889 .000 .889 4 0 4 88 88 ASN .955 2.473 1.874 4 4 8 89 89 GLU 1.795 1.223 1.504 4 5 9 90 90 ASP 3.421 4.405 4.013 3 4 7 ENDMDL Model RMS deviations: .6195 1.2503 .9758 359 334 693 MODEL 3 1 1 MET 1.461 3.345 2.581 4 4 8 2 2 THR .367 .989 .704 4 3 7 3 3 GLU .599 1.196 .977 4 5 9 4 4 VAL .555 .617 .583 4 3 7 5 5 TYR .538 3.529 2.898 4 8 12 6 6 ASP .483 1.392 1.042 4 4 8 7 7 LEU .575 1.319 1.017 4 4 8 8 8 GLU .547 1.117 .909 4 5 9 9 9 ILE .727 1.487 1.170 4 4 8 10 10 THR .419 1.086 .779 4 3 7 11 11 THR .408 .416 .411 4 3 7 12 12 ASN .392 1.096 .823 4 4 8 13 13 ALA .364 .368 .365 4 1 5 14 14 THR .419 .373 .400 4 3 7 15 15 ASP .318 1.121 .824 4 4 8 16 16 PHE .466 1.822 1.480 4 7 11 17 17 PRO .578 .772 .668 4 3 7 18 18 MET .516 1.823 1.339 4 4 8 19 19 GLU .567 1.140 .930 4 5 9 20 20 LYS .531 1.332 1.054 4 5 9 21 21 LYS .647 .881 .786 4 5 9 22 22 TYR .400 1.524 1.266 4 8 12 23 23 PRO .286 .445 .363 4 3 7 24 24 ALA .303 .341 .311 4 1 5 25 25 GLY .321 .000 .321 4 0 4 26 26 MET .343 1.619 1.171 4 4 8 27 27 SER .691 .696 .693 4 2 6 28 28 LEU .857 1.467 1.201 4 4 8 29 29 ASN .710 1.317 1.058 4 4 8 30 30 ASP .735 1.090 .929 4 4 8 31 31 LEU .829 2.036 1.555 4 4 8 32 32 LYS .728 .634 .677 4 5 9 33 33 LYS .730 .660 .692 4 5 9 34 34 LYS .825 1.690 1.374 4 5 9 35 35 LEU .853 1.086 .976 4 4 8 36 36 GLU .512 1.749 1.347 4 5 9 37 37 LEU .648 .601 .625 4 4 8 38 38 VAL .759 1.210 .978 4 3 7 39 39 VAL .418 .461 .437 4 3 7 40 40 GLY .548 .000 .548 4 0 4 41 41 THR .351 .235 .306 4 3 7 42 42 THR .208 .538 .386 4 3 7 43 43 VAL .795 1.048 .912 4 3 7 44 44 ASP .852 1.233 1.059 4 4 8 45 45 SER .789 .967 .853 4 2 6 46 46 MET .698 .955 .837 4 4 8 47 47 ARG .365 1.478 1.200 4 7 11 48 48 ILE .406 .581 .501 4 4 8 49 49 GLN .366 1.165 .902 4 5 9 50 50 LEU .711 1.250 1.016 4 4 8 51 51 PHE .650 1.055 .929 4 7 11 52 52 ASP .743 2.704 1.983 4 4 8 53 53 GLY 1.596 .000 1.596 4 0 4 54 54 ASP 1.896 1.379 1.658 4 4 8 55 55 ASP 1.561 3.171 2.499 4 4 8 56 56 GLN 1.109 1.087 1.097 4 5 9 57 57 LEU .746 .397 .597 4 4 8 58 58 LYS .832 1.307 1.121 4 5 9 59 59 GLY .974 .000 .974 4 0 4 60 60 GLU .912 1.938 1.567 4 5 9 61 61 LEU 1.315 1.573 1.450 4 4 8 62 62 THR 1.709 1.664 1.690 4 3 7 63 63 ASP 1.803 1.602 1.705 4 4 8 64 64 GLY 1.192 .000 1.192 4 0 4 65 65 ALA 1.279 1.444 1.313 4 1 5 66 66 LYS .792 2.323 1.810 4 5 9 67 67 SER .411 .447 .423 4 2 6 68 68 LEU .265 .482 .389 4 4 8 69 69 LYS .398 1.554 1.188 4 5 9 70 70 ASP .570 .844 .720 4 4 8 71 71 LEU .624 .883 .765 4 4 8 72 72 GLY .644 .000 .644 4 0 4 73 73 VAL .238 .470 .356 4 3 7 74 74 ARG .255 .944 .769 4 7 11 75 75 ASP .329 1.069 .791 4 4 8 76 76 GLY .372 .000 .372 4 0 4 77 77 TYR .381 .854 .731 4 8 12 78 78 ARG .475 2.284 1.845 4 7 11 79 79 ILE .470 1.000 .782 4 4 8 80 80 HIS .323 .205 .259 4 6 10 81 81 ALA .321 .369 .331 4 1 5 82 82 VAL .260 .207 .239 4 3 7 83 83 ASP .362 1.646 1.192 4 4 8 84 84 VAL .526 .740 .627 4 3 7 85 85 THR .533 1.268 .922 4 3 7 86 86 GLY .644 .000 .644 4 0 4 87 87 GLY .819 .000 .819 4 0 4 88 88 ASN 1.210 2.544 1.992 4 4 8 89 89 GLU 2.159 2.319 2.250 4 5 9 90 90 ASP 3.422 4.515 4.083 3 4 7 ENDMDL Model RMS deviations: .8410 1.5680 1.2455 359 334 693 MODEL 4 1 1 MET .777 1.934 1.474 4 4 8 2 2 THR .370 .841 .618 4 3 7 3 3 GLU .459 1.040 .833 4 5 9 4 4 VAL .285 .463 .372 4 3 7 5 5 TYR .420 3.308 2.712 4 8 12 6 6 ASP .448 1.430 1.059 4 4 8 7 7 LEU .329 1.459 1.057 4 4 8 8 8 GLU .277 2.087 1.566 4 5 9 9 9 ILE .200 .979 .707 4 4 8 10 10 THR .314 .755 .548 4 3 7 11 11 THR .117 .304 .218 4 3 7 12 12 ASN .282 .872 .648 4 4 8 13 13 ALA .483 .524 .492 4 1 5 14 14 THR .409 .554 .477 4 3 7 15 15 ASP .295 .955 .706 4 4 8 16 16 PHE .308 2.717 2.175 4 7 11 17 17 PRO .326 .310 .320 4 3 7 18 18 MET .246 1.495 1.071 4 4 8 19 19 GLU .339 .696 .565 4 5 9 20 20 LYS .260 1.496 1.128 4 5 9 21 21 LYS .268 .676 .534 4 5 9 22 22 TYR .601 1.465 1.245 4 8 12 23 23 PRO .529 .614 .567 4 3 7 24 24 ALA .321 .429 .345 4 1 5 25 25 GLY .422 .000 .422 4 0 4 26 26 MET .306 .981 .727 4 4 8 27 27 SER .309 .627 .442 4 2 6 28 28 LEU .249 .660 .499 4 4 8 29 29 ASN .333 .685 .539 4 4 8 30 30 ASP .243 .841 .619 4 4 8 31 31 LEU .267 1.483 1.065 4 4 8 32 32 LYS .450 .686 .593 4 5 9 33 33 LYS .435 .725 .613 4 5 9 34 34 LYS .394 2.437 1.835 4 5 9 35 35 LEU .375 .324 .350 4 4 8 36 36 GLU .447 2.066 1.569 4 5 9 37 37 LEU .349 .480 .419 4 4 8 38 38 VAL .179 .267 .221 4 3 7 39 39 VAL .227 .361 .292 4 3 7 40 40 GLY .329 .000 .329 4 0 4 41 41 THR .246 .421 .333 4 3 7 42 42 THR .636 1.431 1.053 4 3 7 43 43 VAL .568 .901 .730 4 3 7 44 44 ASP .711 1.359 1.084 4 4 8 45 45 SER .540 .669 .586 4 2 6 46 46 MET .540 1.557 1.166 4 4 8 47 47 ARG .293 1.220 .989 4 7 11 48 48 ILE .275 1.006 .737 4 4 8 49 49 GLN .197 1.045 .790 4 5 9 50 50 LEU .367 .453 .412 4 4 8 51 51 PHE .342 2.092 1.681 4 7 11 52 52 ASP .690 1.965 1.473 4 4 8 53 53 GLY 1.891 .000 1.891 4 0 4 54 54 ASP 1.903 6.351 4.688 4 4 8 55 55 ASP 2.370 4.876 3.834 4 4 8 56 56 GLN 1.085 2.559 2.040 4 5 9 57 57 LEU .906 .862 .884 4 4 8 58 58 LYS 1.046 1.534 1.339 4 5 9 59 59 GLY .763 .000 .763 4 0 4 60 60 GLU .660 1.945 1.515 4 5 9 61 61 LEU .253 1.268 .914 4 4 8 62 62 THR .364 .597 .478 4 3 7 63 63 ASP .969 .946 .958 4 4 8 64 64 GLY .595 .000 .595 4 0 4 65 65 ALA .544 .777 .598 4 1 5 66 66 LYS .829 2.308 1.807 4 5 9 67 67 SER .564 .735 .626 4 2 6 68 68 LEU .303 .407 .359 4 4 8 69 69 LYS .371 .866 .691 4 5 9 70 70 ASP .422 1.047 .798 4 4 8 71 71 LEU .393 .541 .473 4 4 8 72 72 GLY .292 .000 .292 4 0 4 73 73 VAL .357 .557 .454 4 3 7 74 74 ARG .285 1.694 1.362 4 7 11 75 75 ASP .416 1.168 .877 4 4 8 76 76 GLY .379 .000 .379 4 0 4 77 77 TYR .372 1.016 .857 4 8 12 78 78 ARG .219 2.619 2.093 4 7 11 79 79 ILE .278 .430 .362 4 4 8 80 80 HIS .337 .373 .359 4 6 10 81 81 ALA .346 .411 .360 4 1 5 82 82 VAL .403 .363 .387 4 3 7 83 83 ASP .460 1.594 1.173 4 4 8 84 84 VAL .375 1.543 1.049 4 3 7 85 85 THR .380 .715 .549 4 3 7 86 86 GLY .445 .000 .445 4 0 4 87 87 GLY .509 .000 .509 4 0 4 88 88 ASN .910 2.664 1.991 4 4 8 89 89 GLU 1.008 2.097 1.701 4 5 9 90 90 ASP 1.968 2.628 2.368 3 4 7 ENDMDL Model RMS deviations: .6290 1.7162 1.2745 359 334 693 MODEL 5 1 1 MET 2.092 2.554 2.334 4 4 8 2 2 THR 1.131 2.606 1.909 4 3 7 3 3 GLU .413 2.379 1.794 4 5 9 4 4 VAL .117 .376 .261 4 3 7 5 5 TYR .155 2.517 2.057 4 8 12 6 6 ASP .322 2.439 1.740 4 4 8 7 7 LEU .218 1.996 1.420 4 4 8 8 8 GLU .279 1.413 1.069 4 5 9 9 9 ILE .444 .659 .562 4 4 8 10 10 THR .154 .700 .473 4 3 7 11 11 THR .162 .116 .144 4 3 7 12 12 ASN .387 2.068 1.488 4 4 8 13 13 ALA .373 .433 .386 4 1 5 14 14 THR .273 .399 .333 4 3 7 15 15 ASP .220 .771 .567 4 4 8 16 16 PHE .233 2.433 1.946 4 7 11 17 17 PRO .293 .580 .439 4 3 7 18 18 MET .502 1.007 .795 4 4 8 19 19 GLU .252 1.598 1.203 4 5 9 20 20 LYS .116 .958 .718 4 5 9 21 21 LYS .123 1.776 1.327 4 5 9 22 22 TYR .140 .934 .767 4 8 12 23 23 PRO .216 .281 .246 4 3 7 24 24 ALA .362 .177 .333 4 1 5 25 25 GLY .369 .000 .369 4 0 4 26 26 MET .500 2.544 1.833 4 4 8 27 27 SER .385 .194 .334 4 2 6 28 28 LEU .460 1.219 .921 4 4 8 29 29 ASN .503 .463 .483 4 4 8 30 30 ASP .539 .992 .798 4 4 8 31 31 LEU .456 .755 .624 4 4 8 32 32 LYS .443 .878 .718 4 5 9 33 33 LYS .509 .920 .765 4 5 9 34 34 LYS .578 2.017 1.552 4 5 9 35 35 LEU .679 1.139 .938 4 4 8 36 36 GLU .620 1.457 1.162 4 5 9 37 37 LEU .503 .517 .510 4 4 8 38 38 VAL .649 .755 .696 4 3 7 39 39 VAL .636 .755 .690 4 3 7 40 40 GLY .560 .000 .560 4 0 4 41 41 THR .605 .813 .701 4 3 7 42 42 THR .494 .711 .597 4 3 7 43 43 VAL .454 1.131 .816 4 3 7 44 44 ASP .583 1.320 1.020 4 4 8 45 45 SER .279 .250 .269 4 2 6 46 46 MET .369 2.141 1.536 4 4 8 47 47 ARG .332 .931 .769 4 7 11 48 48 ILE .312 .751 .575 4 4 8 49 49 GLN .217 1.160 .877 4 5 9 50 50 LEU .204 .512 .390 4 4 8 51 51 PHE .324 .775 .648 4 7 11 52 52 ASP .641 2.091 1.546 4 4 8 53 53 GLY 1.582 .000 1.582 4 0 4 54 54 ASP 1.435 .883 1.192 4 4 8 55 55 ASP 1.167 2.392 1.882 4 4 8 56 56 GLN .645 1.531 1.220 4 5 9 57 57 LEU .451 .761 .625 4 4 8 58 58 LYS .446 .582 .526 4 5 9 59 59 GLY .658 .000 .658 4 0 4 60 60 GLU .501 1.057 .856 4 5 9 61 61 LEU .276 1.218 .883 4 4 8 62 62 THR .371 .493 .428 4 3 7 63 63 ASP .803 1.195 1.018 4 4 8 64 64 GLY .458 .000 .458 4 0 4 65 65 ALA .544 .668 .571 4 1 5 66 66 LYS .575 .891 .767 4 5 9 67 67 SER .425 .514 .457 4 2 6 68 68 LEU .400 .587 .502 4 4 8 69 69 LYS .223 1.992 1.492 4 5 9 70 70 ASP .178 .944 .679 4 4 8 71 71 LEU .241 .769 .570 4 4 8 72 72 GLY .363 .000 .363 4 0 4 73 73 VAL .253 .383 .315 4 3 7 74 74 ARG .159 3.463 2.764 4 7 11 75 75 ASP .274 .907 .670 4 4 8 76 76 GLY .265 .000 .265 4 0 4 77 77 TYR .287 1.218 1.008 4 8 12 78 78 ARG .312 2.193 1.760 4 7 11 79 79 ILE .300 .375 .339 4 4 8 80 80 HIS .249 .211 .227 4 6 10 81 81 ALA .325 .387 .338 4 1 5 82 82 VAL .494 .562 .524 4 3 7 83 83 ASP .588 1.860 1.379 4 4 8 84 84 VAL .596 1.602 1.141 4 3 7 85 85 THR .879 .839 .862 4 3 7 86 86 GLY .901 .000 .901 4 0 4 87 87 GLY 1.015 .000 1.015 4 0 4 88 88 ASN .574 1.435 1.093 4 4 8 89 89 GLU 1.463 2.061 1.819 4 5 9 90 90 ASP 2.874 3.528 3.264 3 4 7 ENDMDL Model RMS deviations: .6401 1.5223 1.1529 359 334 693 MODEL 6 1 1 MET .467 2.273 1.641 4 4 8 2 2 THR .660 1.909 1.346 4 3 7 3 3 GLU .418 1.072 .846 4 5 9 4 4 VAL .359 .325 .345 4 3 7 5 5 TYR .475 3.374 2.768 4 8 12 6 6 ASP .388 1.798 1.301 4 4 8 7 7 LEU .256 1.183 .856 4 4 8 8 8 GLU .164 .758 .576 4 5 9 9 9 ILE .191 .380 .300 4 4 8 10 10 THR .382 1.003 .717 4 3 7 11 11 THR .454 .467 .460 4 3 7 12 12 ASN .651 1.383 1.081 4 4 8 13 13 ALA .463 .502 .471 4 1 5 14 14 THR .325 .323 .324 4 3 7 15 15 ASP .256 .852 .629 4 4 8 16 16 PHE .120 1.484 1.186 4 7 11 17 17 PRO .127 .304 .221 4 3 7 18 18 MET .169 .820 .592 4 4 8 19 19 GLU .354 1.037 .808 4 5 9 20 20 LYS .329 2.421 1.818 4 5 9 21 21 LYS .368 2.079 1.569 4 5 9 22 22 TYR .513 1.341 1.134 4 8 12 23 23 PRO .392 .469 .427 4 3 7 24 24 ALA .270 .313 .279 4 1 5 25 25 GLY .223 .000 .223 4 0 4 26 26 MET .189 1.086 .780 4 4 8 27 27 SER .234 .225 .231 4 2 6 28 28 LEU .148 .593 .432 4 4 8 29 29 ASN .176 .421 .323 4 4 8 30 30 ASP .323 .841 .637 4 4 8 31 31 LEU .276 .594 .463 4 4 8 32 32 LYS .341 .762 .612 4 5 9 33 33 LYS .402 .672 .568 4 5 9 34 34 LYS .449 1.168 .921 4 5 9 35 35 LEU .433 .388 .411 4 4 8 36 36 GLU .524 1.977 1.515 4 5 9 37 37 LEU .463 .574 .521 4 4 8 38 38 VAL .676 .724 .697 4 3 7 39 39 VAL .606 .519 .570 4 3 7 40 40 GLY .529 .000 .529 4 0 4 41 41 THR .328 .614 .472 4 3 7 42 42 THR .345 .367 .355 4 3 7 43 43 VAL 1.181 1.296 1.232 4 3 7 44 44 ASP 1.377 2.002 1.718 4 4 8 45 45 SER 1.051 1.314 1.145 4 2 6 46 46 MET .623 .862 .752 4 4 8 47 47 ARG .284 1.060 .863 4 7 11 48 48 ILE .402 1.988 1.434 4 4 8 49 49 GLN .500 .555 .531 4 5 9 50 50 LEU .338 .350 .344 4 4 8 51 51 PHE .280 .930 .761 4 7 11 52 52 ASP 1.304 2.272 1.852 4 4 8 53 53 GLY 2.210 .000 2.210 4 0 4 54 54 ASP 1.445 2.520 2.054 4 4 8 55 55 ASP 1.163 2.997 2.273 4 4 8 56 56 GLN .688 2.176 1.685 4 5 9 57 57 LEU .414 1.256 .935 4 4 8 58 58 LYS .849 1.706 1.392 4 5 9 59 59 GLY .916 .000 .916 4 0 4 60 60 GLU .666 2.077 1.611 4 5 9 61 61 LEU .499 1.186 .910 4 4 8 62 62 THR .740 1.076 .899 4 3 7 63 63 ASP 1.159 .784 .990 4 4 8 64 64 GLY .601 .000 .601 4 0 4 65 65 ALA .454 .388 .442 4 1 5 66 66 LYS .271 1.023 .784 4 5 9 67 67 SER .184 .533 .343 4 2 6 68 68 LEU .159 .839 .604 4 4 8 69 69 LYS .182 .752 .573 4 5 9 70 70 ASP .312 1.108 .814 4 4 8 71 71 LEU .424 .591 .514 4 4 8 72 72 GLY .623 .000 .623 4 0 4 73 73 VAL .406 .604 .501 4 3 7 74 74 ARG .312 1.873 1.506 4 7 11 75 75 ASP .331 1.000 .745 4 4 8 76 76 GLY .360 .000 .360 4 0 4 77 77 TYR .348 .968 .816 4 8 12 78 78 ARG .277 2.110 1.692 4 7 11 79 79 ILE .303 .400 .355 4 4 8 80 80 HIS .182 .174 .177 4 6 10 81 81 ALA .197 .191 .196 4 1 5 82 82 VAL .303 .361 .329 4 3 7 83 83 ASP .396 1.474 1.079 4 4 8 84 84 VAL 1.123 1.448 1.273 4 3 7 85 85 THR 1.471 1.562 1.511 4 3 7 86 86 GLY 1.501 .000 1.501 4 0 4 87 87 GLY 1.597 .000 1.597 4 0 4 88 88 ASN 1.392 2.165 1.820 4 4 8 89 89 GLU 2.977 2.956 2.965 4 5 9 90 90 ASP 5.428 5.407 5.416 3 4 7 ENDMDL Model RMS deviations: .8852 1.5591 1.2560 359 334 693 MODEL 7 1 1 MET .918 3.263 2.397 4 4 8 2 2 THR .865 1.853 1.378 4 3 7 3 3 GLU .613 1.613 1.270 4 5 9 4 4 VAL .415 .497 .452 4 3 7 5 5 TYR .389 3.387 2.774 4 8 12 6 6 ASP .242 1.614 1.154 4 4 8 7 7 LEU .236 1.171 .844 4 4 8 8 8 GLU .288 1.218 .928 4 5 9 9 9 ILE .321 .411 .369 4 4 8 10 10 THR .303 .874 .616 4 3 7 11 11 THR .531 .553 .540 4 3 7 12 12 ASN .745 1.238 1.022 4 4 8 13 13 ALA .916 .992 .931 4 1 5 14 14 THR .765 .812 .786 4 3 7 15 15 ASP .710 1.492 1.169 4 4 8 16 16 PHE .590 1.808 1.486 4 7 11 17 17 PRO .484 .483 .484 4 3 7 18 18 MET .450 1.401 1.040 4 4 8 19 19 GLU .316 1.898 1.430 4 5 9 20 20 LYS .318 1.753 1.324 4 5 9 21 21 LYS .415 2.503 1.886 4 5 9 22 22 TYR .212 1.074 .885 4 8 12 23 23 PRO .256 .225 .243 4 3 7 24 24 ALA .303 .400 .324 4 1 5 25 25 GLY .285 .000 .285 4 0 4 26 26 MET .256 1.181 .855 4 4 8 27 27 SER .296 .509 .380 4 2 6 28 28 LEU .471 .771 .639 4 4 8 29 29 ASN .477 .951 .752 4 4 8 30 30 ASP .332 .813 .621 4 4 8 31 31 LEU .396 .785 .622 4 4 8 32 32 LYS .423 1.464 1.127 4 5 9 33 33 LYS .408 .808 .661 4 5 9 34 34 LYS .625 1.798 1.403 4 5 9 35 35 LEU .726 1.000 .874 4 4 8 36 36 GLU .326 1.613 1.221 4 5 9 37 37 LEU .571 .658 .616 4 4 8 38 38 VAL .648 1.069 .854 4 3 7 39 39 VAL .396 .696 .545 4 3 7 40 40 GLY .279 .000 .279 4 0 4 41 41 THR .314 .669 .498 4 3 7 42 42 THR .480 .722 .596 4 3 7 43 43 VAL .234 .495 .369 4 3 7 44 44 ASP .260 .895 .659 4 4 8 45 45 SER .362 .552 .435 4 2 6 46 46 MET .296 1.374 .994 4 4 8 47 47 ARG .240 1.416 1.139 4 7 11 48 48 ILE .321 .582 .470 4 4 8 49 49 GLN .404 1.134 .887 4 5 9 50 50 LEU .370 .461 .418 4 4 8 51 51 PHE .442 .978 .825 4 7 11 52 52 ASP .490 1.926 1.405 4 4 8 53 53 GLY .649 .000 .649 4 0 4 54 54 ASP 1.482 2.171 1.859 4 4 8 55 55 ASP .911 1.610 1.308 4 4 8 56 56 GLN .582 1.788 1.388 4 5 9 57 57 LEU .441 1.211 .911 4 4 8 58 58 LYS .481 1.569 1.213 4 5 9 59 59 GLY .752 .000 .752 4 0 4 60 60 GLU .485 1.726 1.327 4 5 9 61 61 LEU .593 1.191 .941 4 4 8 62 62 THR 1.250 1.803 1.512 4 3 7 63 63 ASP 1.141 1.011 1.078 4 4 8 64 64 GLY .625 .000 .625 4 0 4 65 65 ALA .605 .666 .618 4 1 5 66 66 LYS .553 1.339 1.064 4 5 9 67 67 SER .593 .623 .603 4 2 6 68 68 LEU .295 .427 .367 4 4 8 69 69 LYS .425 .950 .762 4 5 9 70 70 ASP .674 1.262 1.012 4 4 8 71 71 LEU .598 .760 .684 4 4 8 72 72 GLY .446 .000 .446 4 0 4 73 73 VAL .252 .311 .279 4 3 7 74 74 ARG .232 2.087 1.671 4 7 11 75 75 ASP .257 .976 .714 4 4 8 76 76 GLY .357 .000 .357 4 0 4 77 77 TYR .338 1.029 .862 4 8 12 78 78 ARG .305 2.382 1.909 4 7 11 79 79 ILE .243 .573 .440 4 4 8 80 80 HIS .219 .441 .369 4 6 10 81 81 ALA .106 .195 .129 4 1 5 82 82 VAL .165 .242 .201 4 3 7 83 83 ASP .245 1.655 1.183 4 4 8 84 84 VAL .174 .730 .495 4 3 7 85 85 THR .405 .291 .361 4 3 7 86 86 GLY .507 .000 .507 4 0 4 87 87 GLY .670 .000 .670 4 0 4 88 88 ASN 1.413 1.459 1.436 4 4 8 89 89 GLU 2.558 2.054 2.292 4 5 9 90 90 ASP 3.786 4.936 4.479 3 4 7 ENDMDL Model RMS deviations: .6962 1.5347 1.1774 359 334 693 MODEL 8 1 1 MET 1.735 4.011 3.090 4 4 8 2 2 THR .753 1.419 1.089 4 3 7 3 3 GLU .731 3.105 2.365 4 5 9 4 4 VAL .464 .460 .462 4 3 7 5 5 TYR .344 3.782 3.094 4 8 12 6 6 ASP .318 2.507 1.787 4 4 8 7 7 LEU .292 .888 .661 4 4 8 8 8 GLU .310 .994 .769 4 5 9 9 9 ILE .500 .496 .498 4 4 8 10 10 THR .647 1.170 .909 4 3 7 11 11 THR .560 .605 .580 4 3 7 12 12 ASN .544 1.095 .865 4 4 8 13 13 ALA .712 .858 .743 4 1 5 14 14 THR .562 .703 .626 4 3 7 15 15 ASP .537 1.408 1.065 4 4 8 16 16 PHE .524 1.934 1.575 4 7 11 17 17 PRO .373 .297 .342 4 3 7 18 18 MET .436 1.120 .850 4 4 8 19 19 GLU .275 1.080 .826 4 5 9 20 20 LYS .276 1.343 1.018 4 5 9 21 21 LYS .188 1.278 .961 4 5 9 22 22 TYR .433 1.144 .967 4 8 12 23 23 PRO .599 .652 .623 4 3 7 24 24 ALA .575 .574 .575 4 1 5 25 25 GLY .513 .000 .513 4 0 4 26 26 MET .410 .871 .681 4 4 8 27 27 SER .330 .359 .340 4 2 6 28 28 LEU .538 1.194 .926 4 4 8 29 29 ASN .545 1.903 1.400 4 4 8 30 30 ASP .414 1.032 .786 4 4 8 31 31 LEU .464 .841 .679 4 4 8 32 32 LYS .246 .637 .502 4 5 9 33 33 LYS .377 .576 .498 4 5 9 34 34 LYS .595 1.154 .947 4 5 9 35 35 LEU .719 .644 .683 4 4 8 36 36 GLU .593 1.889 1.463 4 5 9 37 37 LEU .711 .595 .656 4 4 8 38 38 VAL .823 .876 .846 4 3 7 39 39 VAL .844 .719 .793 4 3 7 40 40 GLY .728 .000 .728 4 0 4 41 41 THR .640 .828 .726 4 3 7 42 42 THR .549 .878 .709 4 3 7 43 43 VAL .873 1.146 .999 4 3 7 44 44 ASP 1.121 1.867 1.540 4 4 8 45 45 SER .859 .770 .831 4 2 6 46 46 MET .851 1.170 1.023 4 4 8 47 47 ARG .690 2.345 1.916 4 7 11 48 48 ILE .565 1.138 .898 4 4 8 49 49 GLN .693 1.192 1.001 4 5 9 50 50 LEU .875 1.079 .982 4 4 8 51 51 PHE 1.144 1.991 1.732 4 7 11 52 52 ASP 1.377 1.578 1.481 4 4 8 53 53 GLY 2.496 .000 2.496 4 0 4 54 54 ASP 1.890 2.374 2.146 4 4 8 55 55 ASP 1.387 2.234 1.859 4 4 8 56 56 GLN 1.072 2.960 2.319 4 5 9 57 57 LEU .491 1.063 .828 4 4 8 58 58 LYS 1.384 1.647 1.536 4 5 9 59 59 GLY 1.606 .000 1.606 4 0 4 60 60 GLU 2.625 2.786 2.716 4 5 9 61 61 LEU 1.477 5.806 4.236 4 4 8 62 62 THR 3.310 4.337 3.784 4 3 7 63 63 ASP 1.314 1.697 1.517 4 4 8 64 64 GLY 1.416 .000 1.416 4 0 4 65 65 ALA 1.201 1.313 1.224 4 1 5 66 66 LYS .498 1.353 1.062 4 5 9 67 67 SER .475 .572 .510 4 2 6 68 68 LEU .538 .816 .691 4 4 8 69 69 LYS .383 1.128 .879 4 5 9 70 70 ASP .319 .722 .558 4 4 8 71 71 LEU .510 .506 .508 4 4 8 72 72 GLY .631 .000 .631 4 0 4 73 73 VAL .458 .450 .455 4 3 7 74 74 ARG .428 1.685 1.369 4 7 11 75 75 ASP .448 1.283 .961 4 4 8 76 76 GLY .494 .000 .494 4 0 4 77 77 TYR .313 1.119 .932 4 8 12 78 78 ARG .278 1.917 1.539 4 7 11 79 79 ILE .297 .995 .734 4 4 8 80 80 HIS .456 .548 .513 4 6 10 81 81 ALA .547 .631 .565 4 1 5 82 82 VAL .602 .447 .541 4 3 7 83 83 ASP .721 1.504 1.179 4 4 8 84 84 VAL .955 1.022 .984 4 3 7 85 85 THR .995 1.348 1.160 4 3 7 86 86 GLY .959 .000 .959 4 0 4 87 87 GLY 1.127 .000 1.127 4 0 4 88 88 ASN 1.303 1.817 1.581 4 4 8 89 89 GLU 2.452 3.342 2.980 4 5 9 90 90 ASP 4.188 5.618 5.055 3 4 7 ENDMDL Model RMS deviations: 1.0316 1.8911 1.5083 359 334 693 MODEL 9 1 1 MET 1.052 2.186 1.715 4 4 8 2 2 THR .702 1.334 1.022 4 3 7 3 3 GLU .336 1.020 .793 4 5 9 4 4 VAL .222 .472 .352 4 3 7 5 5 TYR .379 3.271 2.680 4 8 12 6 6 ASP .348 1.301 .952 4 4 8 7 7 LEU .317 1.271 .926 4 4 8 8 8 GLU .360 2.179 1.642 4 5 9 9 9 ILE .330 1.038 .770 4 4 8 10 10 THR .388 .690 .538 4 3 7 11 11 THR .324 .181 .272 4 3 7 12 12 ASN .655 .918 .797 4 4 8 13 13 ALA .665 .580 .649 4 1 5 14 14 THR .584 .602 .592 4 3 7 15 15 ASP .724 2.529 1.860 4 4 8 16 16 PHE .339 1.560 1.261 4 7 11 17 17 PRO .220 .315 .265 4 3 7 18 18 MET .185 .939 .677 4 4 8 19 19 GLU .241 1.044 .795 4 5 9 20 20 LYS .302 1.381 1.049 4 5 9 21 21 LYS .315 .925 .721 4 5 9 22 22 TYR .423 1.106 .936 4 8 12 23 23 PRO .344 .468 .402 4 3 7 24 24 ALA .371 .223 .346 4 1 5 25 25 GLY .165 .000 .165 4 0 4 26 26 MET .186 2.422 1.718 4 4 8 27 27 SER .211 .322 .253 4 2 6 28 28 LEU .156 .521 .384 4 4 8 29 29 ASN .149 .333 .258 4 4 8 30 30 ASP .141 .753 .542 4 4 8 31 31 LEU .174 .613 .450 4 4 8 32 32 LYS .157 .740 .562 4 5 9 33 33 LYS .288 .773 .607 4 5 9 34 34 LYS .309 1.643 1.241 4 5 9 35 35 LEU .344 .439 .395 4 4 8 36 36 GLU .357 1.869 1.413 4 5 9 37 37 LEU .374 .809 .630 4 4 8 38 38 VAL .420 .473 .444 4 3 7 39 39 VAL .343 .257 .309 4 3 7 40 40 GLY .555 .000 .555 4 0 4 41 41 THR .632 .550 .598 4 3 7 42 42 THR .649 .933 .783 4 3 7 43 43 VAL .958 1.026 .988 4 3 7 44 44 ASP 1.319 1.974 1.679 4 4 8 45 45 SER .725 .464 .650 4 2 6 46 46 MET .709 1.529 1.192 4 4 8 47 47 ARG .528 1.538 1.267 4 7 11 48 48 ILE .426 1.069 .814 4 4 8 49 49 GLN .245 .937 .717 4 5 9 50 50 LEU .259 .681 .516 4 4 8 51 51 PHE .571 .824 .742 4 7 11 52 52 ASP 1.209 2.945 2.251 4 4 8 53 53 GLY 2.634 .000 2.634 4 0 4 54 54 ASP 1.328 2.670 2.108 4 4 8 55 55 ASP .946 2.554 1.926 4 4 8 56 56 GLN .611 1.772 1.382 4 5 9 57 57 LEU .586 .622 .604 4 4 8 58 58 LYS .481 .736 .636 4 5 9 59 59 GLY .327 .000 .327 4 0 4 60 60 GLU .364 2.188 1.649 4 5 9 61 61 LEU .234 1.370 .982 4 4 8 62 62 THR .291 .564 .430 4 3 7 63 63 ASP .871 1.150 1.020 4 4 8 64 64 GLY .169 .000 .169 4 0 4 65 65 ALA .229 .374 .265 4 1 5 66 66 LYS .086 .703 .527 4 5 9 67 67 SER .107 .262 .175 4 2 6 68 68 LEU .134 1.397 .992 4 4 8 69 69 LYS .065 .824 .616 4 5 9 70 70 ASP .174 .987 .709 4 4 8 71 71 LEU .204 .276 .243 4 4 8 72 72 GLY .177 .000 .177 4 0 4 73 73 VAL .214 .570 .407 4 3 7 74 74 ARG .145 1.533 1.226 4 7 11 75 75 ASP .257 1.631 1.167 4 4 8 76 76 GLY .319 .000 .319 4 0 4 77 77 TYR .088 .943 .772 4 8 12 78 78 ARG .236 2.588 2.069 4 7 11 79 79 ILE .143 .892 .639 4 4 8 80 80 HIS .156 .291 .246 4 6 10 81 81 ALA .231 .250 .235 4 1 5 82 82 VAL .400 .283 .355 4 3 7 83 83 ASP .591 1.241 .972 4 4 8 84 84 VAL .668 1.675 1.207 4 3 7 85 85 THR .666 1.987 1.395 4 3 7 86 86 GLY .957 .000 .957 4 0 4 87 87 GLY .734 .000 .734 4 0 4 88 88 ASN 1.662 2.173 1.934 4 4 8 89 89 GLU 2.572 3.555 3.156 4 5 9 90 90 ASP 2.971 2.994 2.984 3 4 7 ENDMDL Model RMS deviations: .7055 1.5177 1.1696 359 334 693 MODEL 10 1 1 MET .741 3.918 2.820 4 4 8 2 2 THR .776 1.185 .972 4 3 7 3 3 GLU .495 .663 .594 4 5 9 4 4 VAL .486 .523 .502 4 3 7 5 5 TYR .507 2.874 2.365 4 8 12 6 6 ASP .449 .905 .714 4 4 8 7 7 LEU .323 1.260 .919 4 4 8 8 8 GLU .304 .936 .726 4 5 9 9 9 ILE .338 1.030 .767 4 4 8 10 10 THR .344 1.030 .723 4 3 7 11 11 THR .400 .472 .432 4 3 7 12 12 ASN .400 .856 .668 4 4 8 13 13 ALA .388 .328 .377 4 1 5 14 14 THR .453 .528 .486 4 3 7 15 15 ASP .475 .979 .770 4 4 8 16 16 PHE .387 1.266 1.036 4 7 11 17 17 PRO .408 .525 .462 4 3 7 18 18 MET .350 .879 .669 4 4 8 19 19 GLU .463 .603 .545 4 5 9 20 20 LYS .352 .893 .706 4 5 9 21 21 LYS .381 1.476 1.129 4 5 9 22 22 TYR .500 1.367 1.153 4 8 12 23 23 PRO .445 .545 .490 4 3 7 24 24 ALA .325 .304 .321 4 1 5 25 25 GLY .363 .000 .363 4 0 4 26 26 MET .338 1.082 .801 4 4 8 27 27 SER .317 .344 .326 4 2 6 28 28 LEU .163 1.482 1.054 4 4 8 29 29 ASN .253 .341 .301 4 4 8 30 30 ASP .206 .656 .486 4 4 8 31 31 LEU .286 .701 .535 4 4 8 32 32 LYS .197 .430 .347 4 5 9 33 33 LYS .349 .919 .723 4 5 9 34 34 LYS .442 1.685 1.290 4 5 9 35 35 LEU .275 .397 .341 4 4 8 36 36 GLU .404 1.524 1.168 4 5 9 37 37 LEU .614 .482 .552 4 4 8 38 38 VAL .659 .676 .667 4 3 7 39 39 VAL .718 .586 .665 4 3 7 40 40 GLY .752 .000 .752 4 0 4 41 41 THR .717 .645 .687 4 3 7 42 42 THR .841 .765 .809 4 3 7 43 43 VAL .672 .452 .588 4 3 7 44 44 ASP .751 1.015 .893 4 4 8 45 45 SER .877 1.202 .997 4 2 6 46 46 MET .624 1.289 1.012 4 4 8 47 47 ARG .348 1.412 1.146 4 7 11 48 48 ILE .354 .706 .559 4 4 8 49 49 GLN .393 1.058 .831 4 5 9 50 50 LEU .263 .282 .273 4 4 8 51 51 PHE .597 2.298 1.868 4 7 11 52 52 ASP .695 1.280 1.030 4 4 8 53 53 GLY 1.226 .000 1.226 4 0 4 54 54 ASP 4.770 4.508 4.640 4 4 8 55 55 ASP 5.842 10.594 8.554 4 4 8 56 56 GLN 2.592 2.080 2.322 4 5 9 57 57 LEU .898 1.405 1.179 4 4 8 58 58 LYS 1.061 1.376 1.246 4 5 9 59 59 GLY 1.038 .000 1.038 4 0 4 60 60 GLU .903 1.847 1.502 4 5 9 61 61 LEU .497 1.163 .894 4 4 8 62 62 THR .395 .626 .507 4 3 7 63 63 ASP .741 1.118 .948 4 4 8 64 64 GLY .366 .000 .366 4 0 4 65 65 ALA .253 .416 .293 4 1 5 66 66 LYS .253 .749 .583 4 5 9 67 67 SER .279 .377 .315 4 2 6 68 68 LEU .248 .547 .425 4 4 8 69 69 LYS .235 1.358 1.024 4 5 9 70 70 ASP .221 .934 .679 4 4 8 71 71 LEU .259 .447 .365 4 4 8 72 72 GLY .202 .000 .202 4 0 4 73 73 VAL .342 .220 .296 4 3 7 74 74 ARG .239 1.389 1.118 4 7 11 75 75 ASP .403 3.121 2.225 4 4 8 76 76 GLY .478 .000 .478 4 0 4 77 77 TYR .404 1.011 .858 4 8 12 78 78 ARG .339 1.944 1.564 4 7 11 79 79 ILE .266 .373 .324 4 4 8 80 80 HIS .310 .245 .273 4 6 10 81 81 ALA .292 .377 .311 4 1 5 82 82 VAL .586 .415 .520 4 3 7 83 83 ASP .691 1.347 1.071 4 4 8 84 84 VAL .847 1.427 1.132 4 3 7 85 85 THR .662 1.807 1.285 4 3 7 86 86 GLY .864 .000 .864 4 0 4 87 87 GLY 2.034 .000 2.034 4 0 4 88 88 ASN 2.457 3.487 3.016 4 4 8 89 89 GLU 5.830 6.584 6.260 4 5 9 90 90 ASP 8.728 9.697 9.294 3 4 7 ENDMDL Model RMS deviations: 1.4482 2.2673 1.8879 359 334 693 MODEL 11 1 1 MET 1.292 4.237 3.132 4 4 8 2 2 THR 1.051 3.143 2.205 4 3 7 3 3 GLU .673 3.405 2.577 4 5 9 4 4 VAL .628 .688 .654 4 3 7 5 5 TYR .717 3.191 2.638 4 8 12 6 6 ASP .679 .937 .819 4 4 8 7 7 LEU .484 1.514 1.124 4 4 8 8 8 GLU .366 .760 .617 4 5 9 9 9 ILE .394 1.187 .885 4 4 8 10 10 THR .391 .646 .516 4 3 7 11 11 THR .379 .369 .375 4 3 7 12 12 ASN .435 .868 .686 4 4 8 13 13 ALA .472 .458 .469 4 1 5 14 14 THR .510 .611 .555 4 3 7 15 15 ASP .426 .858 .677 4 4 8 16 16 PHE .460 1.389 1.142 4 7 11 17 17 PRO .413 .474 .440 4 3 7 18 18 MET .402 1.483 1.087 4 4 8 19 19 GLU .440 1.199 .941 4 5 9 20 20 LYS .517 1.194 .954 4 5 9 21 21 LYS .554 1.685 1.309 4 5 9 22 22 TYR .435 .751 .663 4 8 12 23 23 PRO .453 .405 .433 4 3 7 24 24 ALA .540 .700 .576 4 1 5 25 25 GLY .627 .000 .627 4 0 4 26 26 MET .519 1.537 1.147 4 4 8 27 27 SER .959 .973 .964 4 2 6 28 28 LEU 1.103 2.055 1.649 4 4 8 29 29 ASN 1.116 1.058 1.088 4 4 8 30 30 ASP .991 1.187 1.093 4 4 8 31 31 LEU 1.090 1.559 1.345 4 4 8 32 32 LYS .742 1.225 1.039 4 5 9 33 33 LYS .710 1.108 .952 4 5 9 34 34 LYS .734 .853 .803 4 5 9 35 35 LEU .572 .688 .632 4 4 8 36 36 GLU .313 2.038 1.534 4 5 9 37 37 LEU .398 .716 .579 4 4 8 38 38 VAL .328 .611 .471 4 3 7 39 39 VAL .272 .594 .440 4 3 7 40 40 GLY .470 .000 .470 4 0 4 41 41 THR .414 .758 .586 4 3 7 42 42 THR .533 .461 .504 4 3 7 43 43 VAL .274 .452 .361 4 3 7 44 44 ASP .665 1.315 1.042 4 4 8 45 45 SER .556 .659 .592 4 2 6 46 46 MET .422 1.145 .863 4 4 8 47 47 ARG .377 2.104 1.694 4 7 11 48 48 ILE .356 .926 .701 4 4 8 49 49 GLN .277 .998 .766 4 5 9 50 50 LEU .618 .709 .665 4 4 8 51 51 PHE .813 .808 .810 4 7 11 52 52 ASP 1.362 2.212 1.837 4 4 8 53 53 GLY 1.584 .000 1.584 4 0 4 54 54 ASP 2.777 3.579 3.203 4 4 8 55 55 ASP .716 1.178 .975 4 4 8 56 56 GLN .823 2.002 1.590 4 5 9 57 57 LEU .880 .815 .848 4 4 8 58 58 LYS 1.283 1.948 1.685 4 5 9 59 59 GLY 1.193 .000 1.193 4 0 4 60 60 GLU .926 1.856 1.515 4 5 9 61 61 LEU .632 1.737 1.307 4 4 8 62 62 THR 1.123 1.427 1.262 4 3 7 63 63 ASP 1.535 1.253 1.401 4 4 8 64 64 GLY .960 .000 .960 4 0 4 65 65 ALA 1.467 1.765 1.531 4 1 5 66 66 LYS 1.296 2.315 1.930 4 5 9 67 67 SER 1.173 1.331 1.228 4 2 6 68 68 LEU .893 1.479 1.221 4 4 8 69 69 LYS 1.187 1.178 1.182 4 5 9 70 70 ASP 1.399 1.886 1.660 4 4 8 71 71 LEU 1.142 1.240 1.192 4 4 8 72 72 GLY .962 .000 .962 4 0 4 73 73 VAL .359 .417 .385 4 3 7 74 74 ARG .296 .939 .770 4 7 11 75 75 ASP .477 2.042 1.483 4 4 8 76 76 GLY .601 .000 .601 4 0 4 77 77 TYR .388 1.064 .897 4 8 12 78 78 ARG .378 2.149 1.729 4 7 11 79 79 ILE .390 .431 .411 4 4 8 80 80 HIS .299 .292 .295 4 6 10 81 81 ALA .331 .433 .354 4 1 5 82 82 VAL .289 .235 .267 4 3 7 83 83 ASP .382 1.821 1.316 4 4 8 84 84 VAL .622 1.334 .992 4 3 7 85 85 THR .681 .735 .705 4 3 7 86 86 GLY .676 .000 .676 4 0 4 87 87 GLY .966 .000 .966 4 0 4 88 88 ASN 1.108 2.686 2.054 4 4 8 89 89 GLU 2.220 4.409 3.604 4 5 9 90 90 ASP 5.070 6.252 5.775 3 4 7 ENDMDL Model RMS deviations: .9661 1.7998 1.4299 359 334 693 MODEL 12 1 1 MET 1.869 1.027 1.508 4 4 8 2 2 THR .872 1.628 1.253 4 3 7 3 3 GLU .517 1.202 .960 4 5 9 4 4 VAL .319 .479 .395 4 3 7 5 5 TYR .393 2.516 2.067 4 8 12 6 6 ASP .486 1.499 1.115 4 4 8 7 7 LEU .457 1.933 1.404 4 4 8 8 8 GLU .419 1.062 .840 4 5 9 9 9 ILE .363 .736 .580 4 4 8 10 10 THR .306 1.065 .735 4 3 7 11 11 THR .280 .255 .269 4 3 7 12 12 ASN .381 1.012 .765 4 4 8 13 13 ALA .259 .196 .248 4 1 5 14 14 THR .254 .226 .242 4 3 7 15 15 ASP .158 1.140 .814 4 4 8 16 16 PHE .175 3.164 2.526 4 7 11 17 17 PRO .253 .187 .227 4 3 7 18 18 MET .456 1.310 .981 4 4 8 19 19 GLU .854 1.525 1.271 4 5 9 20 20 LYS .805 1.577 1.292 4 5 9 21 21 LYS .693 .835 .775 4 5 9 22 22 TYR .479 .874 .766 4 8 12 23 23 PRO .374 .548 .457 4 3 7 24 24 ALA .366 .397 .372 4 1 5 25 25 GLY .288 .000 .288 4 0 4 26 26 MET .173 1.405 1.001 4 4 8 27 27 SER .412 .358 .395 4 2 6 28 28 LEU .626 .890 .770 4 4 8 29 29 ASN .788 2.022 1.535 4 4 8 30 30 ASP .721 1.053 .903 4 4 8 31 31 LEU .766 1.045 .916 4 4 8 32 32 LYS .808 .857 .836 4 5 9 33 33 LYS .618 .833 .745 4 5 9 34 34 LYS .489 1.058 .853 4 5 9 35 35 LEU .536 .597 .567 4 4 8 36 36 GLU .472 1.253 .986 4 5 9 37 37 LEU .323 .288 .306 4 4 8 38 38 VAL .404 .693 .547 4 3 7 39 39 VAL .387 .578 .478 4 3 7 40 40 GLY .430 .000 .430 4 0 4 41 41 THR .622 1.699 1.208 4 3 7 42 42 THR .275 1.012 .694 4 3 7 43 43 VAL .442 .714 .575 4 3 7 44 44 ASP .473 .986 .773 4 4 8 45 45 SER .199 .195 .198 4 2 6 46 46 MET .194 1.235 .884 4 4 8 47 47 ARG .272 1.962 1.574 4 7 11 48 48 ILE .245 .500 .394 4 4 8 49 49 GLN .187 .798 .608 4 5 9 50 50 LEU .179 .571 .423 4 4 8 51 51 PHE .224 .697 .572 4 7 11 52 52 ASP 1.352 3.850 2.885 4 4 8 53 53 GLY 2.993 .000 2.993 4 0 4 54 54 ASP 1.635 2.470 2.094 4 4 8 55 55 ASP 1.191 1.758 1.502 4 4 8 56 56 GLN .888 1.600 1.331 4 5 9 57 57 LEU .757 1.056 .919 4 4 8 58 58 LYS .469 .496 .484 4 5 9 59 59 GLY .703 .000 .703 4 0 4 60 60 GLU .631 1.203 .991 4 5 9 61 61 LEU .494 1.088 .845 4 4 8 62 62 THR .421 .786 .605 4 3 7 63 63 ASP .977 1.358 1.183 4 4 8 64 64 GLY .587 .000 .587 4 0 4 65 65 ALA .638 .991 .723 4 1 5 66 66 LYS .173 1.339 1.005 4 5 9 67 67 SER .141 .406 .261 4 2 6 68 68 LEU .194 .362 .290 4 4 8 69 69 LYS .245 1.098 .835 4 5 9 70 70 ASP .329 .853 .647 4 4 8 71 71 LEU .298 .294 .296 4 4 8 72 72 GLY .191 .000 .191 4 0 4 73 73 VAL .218 .246 .231 4 3 7 74 74 ARG .243 2.035 1.630 4 7 11 75 75 ASP .292 .901 .669 4 4 8 76 76 GLY .523 .000 .523 4 0 4 77 77 TYR .261 .817 .684 4 8 12 78 78 ARG .273 1.656 1.331 4 7 11 79 79 ILE .280 .497 .403 4 4 8 80 80 HIS .241 .184 .209 4 6 10 81 81 ALA .265 .313 .276 4 1 5 82 82 VAL .299 .244 .277 4 3 7 83 83 ASP .386 1.519 1.108 4 4 8 84 84 VAL .536 .724 .623 4 3 7 85 85 THR .562 .722 .635 4 3 7 86 86 GLY .945 .000 .945 4 0 4 87 87 GLY 1.184 .000 1.184 4 0 4 88 88 ASN 2.310 2.021 2.170 4 4 8 89 89 GLU 4.524 4.215 4.355 4 5 9 90 90 ASP 5.734 7.582 6.851 3 4 7 ENDMDL Model RMS deviations: .9955 1.6502 1.3512 359 334 693 MODEL 13 1 1 MET 1.759 3.192 2.577 4 4 8 2 2 THR .842 1.251 1.037 4 3 7 3 3 GLU .334 1.913 1.443 4 5 9 4 4 VAL .304 .659 .489 4 3 7 5 5 TYR .275 3.033 2.481 4 8 12 6 6 ASP .246 1.007 .733 4 4 8 7 7 LEU .082 1.856 1.313 4 4 8 8 8 GLU .118 .878 .659 4 5 9 9 9 ILE .236 .407 .333 4 4 8 10 10 THR .326 1.070 .743 4 3 7 11 11 THR .322 .340 .330 4 3 7 12 12 ASN .459 .781 .640 4 4 8 13 13 ALA .608 .643 .615 4 1 5 14 14 THR .537 .640 .583 4 3 7 15 15 ASP .566 1.137 .898 4 4 8 16 16 PHE .379 1.708 1.381 4 7 11 17 17 PRO .300 .322 .310 4 3 7 18 18 MET .208 1.603 1.143 4 4 8 19 19 GLU .260 .823 .638 4 5 9 20 20 LYS .250 1.229 .931 4 5 9 21 21 LYS .163 1.262 .947 4 5 9 22 22 TYR .190 1.164 .957 4 8 12 23 23 PRO .188 .292 .239 4 3 7 24 24 ALA .174 .159 .171 4 1 5 25 25 GLY .339 .000 .339 4 0 4 26 26 MET .303 1.315 .954 4 4 8 27 27 SER .284 .302 .290 4 2 6 28 28 LEU .269 .627 .482 4 4 8 29 29 ASN .286 .468 .388 4 4 8 30 30 ASP .254 .926 .679 4 4 8 31 31 LEU .197 .893 .647 4 4 8 32 32 LYS .231 1.893 1.419 4 5 9 33 33 LYS .281 .902 .698 4 5 9 34 34 LYS .270 .836 .649 4 5 9 35 35 LEU .180 .409 .316 4 4 8 36 36 GLU .288 1.344 1.020 4 5 9 37 37 LEU .345 .574 .474 4 4 8 38 38 VAL .282 .412 .344 4 3 7 39 39 VAL .372 .394 .382 4 3 7 40 40 GLY .411 .000 .411 4 0 4 41 41 THR .479 .366 .434 4 3 7 42 42 THR .571 .550 .562 4 3 7 43 43 VAL .638 1.228 .937 4 3 7 44 44 ASP .254 .900 .661 4 4 8 45 45 SER .338 .310 .329 4 2 6 46 46 MET .420 1.286 .957 4 4 8 47 47 ARG .519 3.117 2.506 4 7 11 48 48 ILE .614 2.065 1.523 4 4 8 49 49 GLN .466 1.574 1.214 4 5 9 50 50 LEU .508 .962 .769 4 4 8 51 51 PHE .696 2.401 1.961 4 7 11 52 52 ASP .852 1.151 1.013 4 4 8 53 53 GLY 1.545 .000 1.545 4 0 4 54 54 ASP 2.408 6.723 5.050 4 4 8 55 55 ASP 2.281 2.351 2.316 4 4 8 56 56 GLN 1.165 3.871 2.988 4 5 9 57 57 LEU .753 1.051 .914 4 4 8 58 58 LYS .998 2.788 2.182 4 5 9 59 59 GLY .851 .000 .851 4 0 4 60 60 GLU .541 2.349 1.787 4 5 9 61 61 LEU .504 1.041 .818 4 4 8 62 62 THR .666 .738 .698 4 3 7 63 63 ASP .915 1.160 1.045 4 4 8 64 64 GLY .587 .000 .587 4 0 4 65 65 ALA .546 .564 .550 4 1 5 66 66 LYS .408 1.047 .826 4 5 9 67 67 SER .214 .237 .222 4 2 6 68 68 LEU .218 .650 .485 4 4 8 69 69 LYS .196 1.026 .776 4 5 9 70 70 ASP .195 .788 .574 4 4 8 71 71 LEU .237 .354 .301 4 4 8 72 72 GLY .256 .000 .256 4 0 4 73 73 VAL .378 .504 .436 4 3 7 74 74 ARG .493 .892 .771 4 7 11 75 75 ASP .439 .911 .715 4 4 8 76 76 GLY .274 .000 .274 4 0 4 77 77 TYR .260 .881 .735 4 8 12 78 78 ARG .221 2.109 1.688 4 7 11 79 79 ILE .143 .300 .235 4 4 8 80 80 HIS .179 .126 .149 4 6 10 81 81 ALA .282 .314 .289 4 1 5 82 82 VAL .221 .348 .283 4 3 7 83 83 ASP .116 1.597 1.132 4 4 8 84 84 VAL .236 .929 .634 4 3 7 85 85 THR .299 .606 .457 4 3 7 86 86 GLY .587 .000 .587 4 0 4 87 87 GLY .822 .000 .822 4 0 4 88 88 ASN .868 1.792 1.408 4 4 8 89 89 GLU 2.216 2.214 2.215 4 5 9 90 90 ASP 3.324 4.587 4.094 3 4 7 ENDMDL Model RMS deviations: .7253 1.7395 1.3156 359 334 693 MODEL 14 1 1 MET 1.300 1.891 1.623 4 4 8 2 2 THR .513 1.752 1.211 4 3 7 3 3 GLU .480 1.663 1.280 4 5 9 4 4 VAL .374 .420 .394 4 3 7 5 5 TYR .430 3.114 2.555 4 8 12 6 6 ASP .404 .942 .725 4 4 8 7 7 LEU .271 2.081 1.484 4 4 8 8 8 GLU .284 1.169 .892 4 5 9 9 9 ILE .313 .405 .362 4 4 8 10 10 THR .227 .987 .669 4 3 7 11 11 THR .372 .216 .315 4 3 7 12 12 ASN .560 1.147 .903 4 4 8 13 13 ALA .586 .697 .610 4 1 5 14 14 THR .560 .654 .602 4 3 7 15 15 ASP .528 1.879 1.380 4 4 8 16 16 PHE .492 3.176 2.551 4 7 11 17 17 PRO .530 .460 .502 4 3 7 18 18 MET .545 .987 .798 4 4 8 19 19 GLU .511 1.060 .860 4 5 9 20 20 LYS .414 .829 .677 4 5 9 21 21 LYS .367 1.521 1.160 4 5 9 22 22 TYR .491 .952 .828 4 8 12 23 23 PRO .478 .581 .525 4 3 7 24 24 ALA .304 .376 .320 4 1 5 25 25 GLY .581 .000 .581 4 0 4 26 26 MET .566 1.820 1.348 4 4 8 27 27 SER .510 .652 .561 4 2 6 28 28 LEU .337 .598 .486 4 4 8 29 29 ASN .339 .590 .481 4 4 8 30 30 ASP .354 .803 .620 4 4 8 31 31 LEU .317 1.010 .748 4 4 8 32 32 LYS .209 .579 .453 4 5 9 33 33 LYS .190 .792 .604 4 5 9 34 34 LYS .426 1.859 1.414 4 5 9 35 35 LEU .451 .814 .658 4 4 8 36 36 GLU .401 1.901 1.442 4 5 9 37 37 LEU .562 .692 .630 4 4 8 38 38 VAL .665 .798 .725 4 3 7 39 39 VAL .678 .718 .696 4 3 7 40 40 GLY .770 .000 .770 4 0 4 41 41 THR .701 .923 .804 4 3 7 42 42 THR .735 1.160 .941 4 3 7 43 43 VAL 1.016 1.471 1.232 4 3 7 44 44 ASP 1.132 2.019 1.636 4 4 8 45 45 SER .836 .914 .863 4 2 6 46 46 MET .749 1.023 .896 4 4 8 47 47 ARG .451 1.775 1.442 4 7 11 48 48 ILE .339 .566 .466 4 4 8 49 49 GLN .244 1.252 .947 4 5 9 50 50 LEU .313 .455 .390 4 4 8 51 51 PHE .675 1.965 1.619 4 7 11 52 52 ASP .422 2.061 1.487 4 4 8 53 53 GLY 1.017 .000 1.017 4 0 4 54 54 ASP 1.690 2.093 1.902 4 4 8 55 55 ASP 1.620 2.224 1.946 4 4 8 56 56 GLN .794 1.329 1.123 4 5 9 57 57 LEU .488 .730 .621 4 4 8 58 58 LYS .635 .671 .655 4 5 9 59 59 GLY .765 .000 .765 4 0 4 60 60 GLU .560 .704 .644 4 5 9 61 61 LEU .300 1.230 .895 4 4 8 62 62 THR .246 .148 .209 4 3 7 63 63 ASP 1.055 1.138 1.097 4 4 8 64 64 GLY .533 .000 .533 4 0 4 65 65 ALA .698 .786 .716 4 1 5 66 66 LYS .350 .735 .595 4 5 9 67 67 SER .246 .331 .277 4 2 6 68 68 LEU .230 .615 .464 4 4 8 69 69 LYS .126 .989 .742 4 5 9 70 70 ASP .111 .881 .628 4 4 8 71 71 LEU .250 .322 .288 4 4 8 72 72 GLY .311 .000 .311 4 0 4 73 73 VAL .443 .465 .453 4 3 7 74 74 ARG .413 2.063 1.664 4 7 11 75 75 ASP .364 .830 .641 4 4 8 76 76 GLY .739 .000 .739 4 0 4 77 77 TYR .479 1.162 .988 4 8 12 78 78 ARG .531 3.848 3.087 4 7 11 79 79 ILE .608 .571 .590 4 4 8 80 80 HIS .163 .259 .225 4 6 10 81 81 ALA .148 .124 .143 4 1 5 82 82 VAL .352 .530 .437 4 3 7 83 83 ASP .472 1.606 1.184 4 4 8 84 84 VAL .911 1.154 1.022 4 3 7 85 85 THR .913 .839 .882 4 3 7 86 86 GLY .870 .000 .870 4 0 4 87 87 GLY 1.899 .000 1.899 4 0 4 88 88 ASN 1.555 4.315 3.243 4 4 8 89 89 GLU 3.750 5.560 4.840 4 5 9 90 90 ASP 4.209 7.684 6.429 3 4 7 ENDMDL Model RMS deviations: .8517 1.8675 1.4341 359 334 693 MODEL 15 1 1 MET 1.924 2.234 2.085 4 4 8 2 2 THR 1.403 3.173 2.332 4 3 7 3 3 GLU .679 1.765 1.391 4 5 9 4 4 VAL .515 .620 .563 4 3 7 5 5 TYR .524 3.501 2.875 4 8 12 6 6 ASP .583 2.375 1.729 4 4 8 7 7 LEU .286 .916 .679 4 4 8 8 8 GLU .303 1.231 .940 4 5 9 9 9 ILE .336 .709 .555 4 4 8 10 10 THR .212 .717 .496 4 3 7 11 11 THR .128 .170 .147 4 3 7 12 12 ASN .191 .691 .507 4 4 8 13 13 ALA .214 .263 .225 4 1 5 14 14 THR .149 .129 .141 4 3 7 15 15 ASP .180 1.313 .937 4 4 8 16 16 PHE .125 1.394 1.114 4 7 11 17 17 PRO .166 .278 .221 4 3 7 18 18 MET .437 .855 .679 4 4 8 19 19 GLU .093 1.188 .888 4 5 9 20 20 LYS .190 1.303 .979 4 5 9 21 21 LYS .373 2.134 1.610 4 5 9 22 22 TYR .373 1.386 1.152 4 8 12 23 23 PRO .360 .353 .357 4 3 7 24 24 ALA .440 .472 .446 4 1 5 25 25 GLY .472 .000 .472 4 0 4 26 26 MET .408 .854 .670 4 4 8 27 27 SER .263 .522 .370 4 2 6 28 28 LEU .211 .587 .441 4 4 8 29 29 ASN .314 .635 .501 4 4 8 30 30 ASP .244 .856 .630 4 4 8 31 31 LEU .174 1.375 .980 4 4 8 32 32 LYS .233 .669 .523 4 5 9 33 33 LYS .344 .631 .523 4 5 9 34 34 LYS .489 1.179 .938 4 5 9 35 35 LEU .654 .877 .773 4 4 8 36 36 GLU .548 1.615 1.258 4 5 9 37 37 LEU .455 .379 .419 4 4 8 38 38 VAL .514 .569 .538 4 3 7 39 39 VAL .551 .519 .538 4 3 7 40 40 GLY .727 .000 .727 4 0 4 41 41 THR .648 .690 .666 4 3 7 42 42 THR .763 .612 .702 4 3 7 43 43 VAL .823 1.951 1.420 4 3 7 44 44 ASP 1.073 1.403 1.249 4 4 8 45 45 SER .579 .625 .595 4 2 6 46 46 MET .422 1.191 .894 4 4 8 47 47 ARG .489 1.507 1.238 4 7 11 48 48 ILE .351 .532 .450 4 4 8 49 49 GLN .228 1.635 1.228 4 5 9 50 50 LEU .269 1.103 .803 4 4 8 51 51 PHE .514 1.432 1.183 4 7 11 52 52 ASP 1.017 1.511 1.288 4 4 8 53 53 GLY 2.472 .000 2.472 4 0 4 54 54 ASP 3.624 5.826 4.852 4 4 8 55 55 ASP 1.312 1.726 1.533 4 4 8 56 56 GLN 1.341 4.113 3.193 4 5 9 57 57 LEU 1.669 1.833 1.753 4 4 8 58 58 LYS 1.214 1.622 1.455 4 5 9 59 59 GLY .665 .000 .665 4 0 4 60 60 GLU .594 .608 .602 4 5 9 61 61 LEU .254 1.361 .979 4 4 8 62 62 THR .303 .255 .284 4 3 7 63 63 ASP .836 1.406 1.157 4 4 8 64 64 GLY .852 .000 .852 4 0 4 65 65 ALA .722 .849 .749 4 1 5 66 66 LYS .678 .962 .847 4 5 9 67 67 SER .685 .790 .721 4 2 6 68 68 LEU .514 .717 .623 4 4 8 69 69 LYS .828 .894 .866 4 5 9 70 70 ASP .907 1.522 1.253 4 4 8 71 71 LEU .606 .669 .638 4 4 8 72 72 GLY .445 .000 .445 4 0 4 73 73 VAL .302 .277 .292 4 3 7 74 74 ARG .363 2.331 1.873 4 7 11 75 75 ASP .380 1.114 .833 4 4 8 76 76 GLY .322 .000 .322 4 0 4 77 77 TYR .336 .819 .697 4 8 12 78 78 ARG .204 3.342 2.669 4 7 11 79 79 ILE .160 .411 .312 4 4 8 80 80 HIS .239 .228 .232 4 6 10 81 81 ALA .283 .219 .272 4 1 5 82 82 VAL .355 .431 .390 4 3 7 83 83 ASP .488 1.461 1.089 4 4 8 84 84 VAL .750 1.005 .869 4 3 7 85 85 THR 1.037 .822 .951 4 3 7 86 86 GLY 1.035 .000 1.035 4 0 4 87 87 GLY 1.219 .000 1.219 4 0 4 88 88 ASN 1.446 1.663 1.558 4 4 8 89 89 GLU 2.030 4.987 3.956 4 5 9 90 90 ASP 3.489 4.659 4.198 3 4 7 ENDMDL Model RMS deviations: .8864 1.7981 1.4019 359 334 693 MODEL 16 1 1 MET 1.446 3.040 2.381 4 4 8 2 2 THR 1.035 2.871 2.036 4 3 7 3 3 GLU .463 2.434 1.840 4 5 9 4 4 VAL .399 .462 .427 4 3 7 5 5 TYR .330 2.730 2.237 4 8 12 6 6 ASP .502 2.418 1.746 4 4 8 7 7 LEU .547 1.100 .869 4 4 8 8 8 GLU .278 .862 .669 4 5 9 9 9 ILE .848 1.386 1.149 4 4 8 10 10 THR .645 .997 .814 4 3 7 11 11 THR .703 .662 .685 4 3 7 12 12 ASN .723 1.143 .956 4 4 8 13 13 ALA .574 .598 .579 4 1 5 14 14 THR .505 .620 .557 4 3 7 15 15 ASP .496 1.177 .903 4 4 8 16 16 PHE .385 1.593 1.291 4 7 11 17 17 PRO .581 .918 .744 4 3 7 18 18 MET .559 .968 .791 4 4 8 19 19 GLU .514 1.670 1.291 4 5 9 20 20 LYS .462 1.324 1.034 4 5 9 21 21 LYS .342 2.061 1.553 4 5 9 22 22 TYR .260 .966 .803 4 8 12 23 23 PRO .257 .260 .258 4 3 7 24 24 ALA .263 .085 .238 4 1 5 25 25 GLY .271 .000 .271 4 0 4 26 26 MET .280 1.074 .785 4 4 8 27 27 SER .370 .325 .356 4 2 6 28 28 LEU .421 1.717 1.250 4 4 8 29 29 ASN .296 .536 .433 4 4 8 30 30 ASP .788 1.030 .917 4 4 8 31 31 LEU .971 1.561 1.300 4 4 8 32 32 LYS .824 2.595 2.011 4 5 9 33 33 LYS .835 .686 .756 4 5 9 34 34 LYS .961 .898 .926 4 5 9 35 35 LEU .970 1.015 .993 4 4 8 36 36 GLU .656 2.082 1.612 4 5 9 37 37 LEU .760 .771 .765 4 4 8 38 38 VAL .885 1.108 .987 4 3 7 39 39 VAL .638 .799 .712 4 3 7 40 40 GLY .460 .000 .460 4 0 4 41 41 THR .328 .555 .440 4 3 7 42 42 THR .430 1.370 .954 4 3 7 43 43 VAL .441 .983 .725 4 3 7 44 44 ASP .443 1.139 .864 4 4 8 45 45 SER .660 1.026 .801 4 2 6 46 46 MET .418 .921 .715 4 4 8 47 47 ARG .388 .724 .623 4 7 11 48 48 ILE .313 1.237 .902 4 4 8 49 49 GLN .217 1.075 .814 4 5 9 50 50 LEU .259 .308 .284 4 4 8 51 51 PHE .422 1.133 .939 4 7 11 52 52 ASP .557 1.358 1.038 4 4 8 53 53 GLY .644 .000 .644 4 0 4 54 54 ASP .856 1.986 1.529 4 4 8 55 55 ASP 1.320 2.089 1.747 4 4 8 56 56 GLN 1.585 2.560 2.181 4 5 9 57 57 LEU 1.320 1.433 1.378 4 4 8 58 58 LYS .525 1.544 1.203 4 5 9 59 59 GLY .488 .000 .488 4 0 4 60 60 GLU .462 1.194 .942 4 5 9 61 61 LEU .385 .864 .669 4 4 8 62 62 THR .472 .728 .596 4 3 7 63 63 ASP .608 1.084 .879 4 4 8 64 64 GLY .696 .000 .696 4 0 4 65 65 ALA .735 .819 .753 4 1 5 66 66 LYS .485 1.531 1.186 4 5 9 67 67 SER .430 .335 .400 4 2 6 68 68 LEU .288 .460 .384 4 4 8 69 69 LYS .434 .523 .486 4 5 9 70 70 ASP .561 1.310 1.008 4 4 8 71 71 LEU .554 .823 .701 4 4 8 72 72 GLY .491 .000 .491 4 0 4 73 73 VAL 1.619 .680 1.302 4 3 7 74 74 ARG .627 1.797 1.483 4 7 11 75 75 ASP .428 .818 .652 4 4 8 76 76 GLY .256 .000 .256 4 0 4 77 77 TYR .419 .931 .798 4 8 12 78 78 ARG .401 2.377 1.912 4 7 11 79 79 ILE .276 .457 .377 4 4 8 80 80 HIS .163 .181 .174 4 6 10 81 81 ALA .164 .193 .171 4 1 5 82 82 VAL .330 .296 .316 4 3 7 83 83 ASP .383 1.564 1.139 4 4 8 84 84 VAL .722 .939 .822 4 3 7 85 85 THR .631 .780 .699 4 3 7 86 86 GLY .581 .000 .581 4 0 4 87 87 GLY .762 .000 .762 4 0 4 88 88 ASN 1.484 1.569 1.527 4 4 8 89 89 GLU 1.662 6.061 4.651 4 5 9 90 90 ASP 2.768 4.841 4.084 3 4 7 ENDMDL Model RMS deviations: .7197 1.6816 1.2772 359 334 693 MODEL 17 1 1 MET 2.173 5.968 4.491 4 4 8 2 2 THR 1.278 2.129 1.696 4 3 7 3 3 GLU .621 1.381 1.110 4 5 9 4 4 VAL .417 .413 .415 4 3 7 5 5 TYR .695 3.123 2.581 4 8 12 6 6 ASP .683 2.869 2.085 4 4 8 7 7 LEU .578 1.426 1.088 4 4 8 8 8 GLU .529 .661 .606 4 5 9 9 9 ILE .669 1.332 1.054 4 4 8 10 10 THR .565 1.353 .983 4 3 7 11 11 THR .622 .709 .661 4 3 7 12 12 ASN .762 .988 .882 4 4 8 13 13 ALA .749 1.077 .825 4 1 5 14 14 THR .547 .889 .714 4 3 7 15 15 ASP .324 .806 .615 4 4 8 16 16 PHE .605 3.134 2.527 4 7 11 17 17 PRO .840 .750 .803 4 3 7 18 18 MET 1.062 1.286 1.180 4 4 8 19 19 GLU 1.146 1.362 1.270 4 5 9 20 20 LYS .923 1.147 1.053 4 5 9 21 21 LYS .828 .731 .775 4 5 9 22 22 TYR .676 1.158 1.023 4 8 12 23 23 PRO .751 .803 .774 4 3 7 24 24 ALA .846 1.448 .996 4 1 5 25 25 GLY .861 .000 .861 4 0 4 26 26 MET .666 1.685 1.281 4 4 8 27 27 SER .574 .711 .623 4 2 6 28 28 LEU .340 1.171 .862 4 4 8 29 29 ASN .265 .386 .331 4 4 8 30 30 ASP .333 .958 .717 4 4 8 31 31 LEU .392 .673 .551 4 4 8 32 32 LYS .292 2.317 1.738 4 5 9 33 33 LYS .366 .483 .435 4 5 9 34 34 LYS .401 1.197 .931 4 5 9 35 35 LEU .395 .797 .629 4 4 8 36 36 GLU .409 1.569 1.201 4 5 9 37 37 LEU .424 .481 .453 4 4 8 38 38 VAL .486 .578 .527 4 3 7 39 39 VAL .510 .410 .470 4 3 7 40 40 GLY .635 .000 .635 4 0 4 41 41 THR .571 .699 .629 4 3 7 42 42 THR .646 .586 .621 4 3 7 43 43 VAL .699 .716 .706 4 3 7 44 44 ASP .691 1.244 1.006 4 4 8 45 45 SER .641 .796 .697 4 2 6 46 46 MET .574 1.029 .833 4 4 8 47 47 ARG .665 1.180 1.023 4 7 11 48 48 ILE .780 1.370 1.115 4 4 8 49 49 GLN .790 1.308 1.108 4 5 9 50 50 LEU .670 1.015 .860 4 4 8 51 51 PHE .468 1.434 1.178 4 7 11 52 52 ASP .449 1.501 1.108 4 4 8 53 53 GLY .723 .000 .723 4 0 4 54 54 ASP 1.268 3.473 2.615 4 4 8 55 55 ASP .682 1.276 1.023 4 4 8 56 56 GLN .722 2.024 1.583 4 5 9 57 57 LEU .568 1.135 .898 4 4 8 58 58 LYS .783 1.728 1.390 4 5 9 59 59 GLY .939 .000 .939 4 0 4 60 60 GLU .779 1.388 1.158 4 5 9 61 61 LEU .229 1.478 1.057 4 4 8 62 62 THR .131 .211 .170 4 3 7 63 63 ASP 1.145 .871 1.017 4 4 8 64 64 GLY .468 .000 .468 4 0 4 65 65 ALA .564 .418 .538 4 1 5 66 66 LYS .598 1.498 1.186 4 5 9 67 67 SER .617 1.206 .860 4 2 6 68 68 LEU .481 1.593 1.177 4 4 8 69 69 LYS .520 2.330 1.771 4 5 9 70 70 ASP .574 1.179 .928 4 4 8 71 71 LEU .476 .753 .630 4 4 8 72 72 GLY .441 .000 .441 4 0 4 73 73 VAL .340 .689 .519 4 3 7 74 74 ARG .281 1.305 1.055 4 7 11 75 75 ASP .436 1.903 1.381 4 4 8 76 76 GLY .493 .000 .493 4 0 4 77 77 TYR .416 .918 .787 4 8 12 78 78 ARG .419 1.616 1.314 4 7 11 79 79 ILE .497 .671 .591 4 4 8 80 80 HIS .471 .571 .533 4 6 10 81 81 ALA .452 .417 .445 4 1 5 82 82 VAL .647 .503 .590 4 3 7 83 83 ASP .777 1.419 1.144 4 4 8 84 84 VAL .960 1.516 1.230 4 3 7 85 85 THR .808 1.020 .905 4 3 7 86 86 GLY .688 .000 .688 4 0 4 87 87 GLY 1.878 .000 1.878 4 0 4 88 88 ASN 2.291 3.790 3.132 4 4 8 89 89 GLU 5.548 5.724 5.646 4 5 9 90 90 ASP 8.579 10.705 9.850 3 4 7 ENDMDL Model RMS deviations: 1.2293 2.1184 1.7163 359 334 693 MODEL 18 1 1 MET 1.530 2.670 2.176 4 4 8 2 2 THR .812 1.791 1.324 4 3 7 3 3 GLU .732 .966 .870 4 5 9 4 4 VAL .417 1.050 .756 4 3 7 5 5 TYR .697 3.461 2.854 4 8 12 6 6 ASP .483 1.625 1.199 4 4 8 7 7 LEU .401 1.719 1.248 4 4 8 8 8 GLU .369 .955 .753 4 5 9 9 9 ILE .521 .486 .504 4 4 8 10 10 THR .327 1.082 .750 4 3 7 11 11 THR .249 .183 .223 4 3 7 12 12 ASN .512 1.014 .804 4 4 8 13 13 ALA .563 .564 .564 4 1 5 14 14 THR .360 .474 .413 4 3 7 15 15 ASP .369 1.477 1.076 4 4 8 16 16 PHE .280 1.687 1.356 4 7 11 17 17 PRO .446 .444 .445 4 3 7 18 18 MET .530 1.801 1.327 4 4 8 19 19 GLU .396 1.140 .890 4 5 9 20 20 LYS .379 1.258 .971 4 5 9 21 21 LYS .525 1.250 .995 4 5 9 22 22 TYR .590 1.412 1.202 4 8 12 23 23 PRO .482 .493 .487 4 3 7 24 24 ALA .341 .394 .352 4 1 5 25 25 GLY .487 .000 .487 4 0 4 26 26 MET .500 1.706 1.257 4 4 8 27 27 SER .439 .700 .540 4 2 6 28 28 LEU .368 .808 .628 4 4 8 29 29 ASN .324 .562 .459 4 4 8 30 30 ASP .497 1.032 .810 4 4 8 31 31 LEU .588 .832 .720 4 4 8 32 32 LYS .568 2.181 1.669 4 5 9 33 33 LYS .313 .578 .478 4 5 9 34 34 LYS .192 2.243 1.677 4 5 9 35 35 LEU .350 2.399 1.714 4 4 8 36 36 GLU .332 2.124 1.599 4 5 9 37 37 LEU .277 .475 .389 4 4 8 38 38 VAL .437 .524 .476 4 3 7 39 39 VAL .497 .741 .613 4 3 7 40 40 GLY .478 .000 .478 4 0 4 41 41 THR .640 .871 .748 4 3 7 42 42 THR .472 1.081 .793 4 3 7 43 43 VAL .413 .582 .492 4 3 7 44 44 ASP .557 1.094 .868 4 4 8 45 45 SER .329 .416 .360 4 2 6 46 46 MET .483 .720 .613 4 4 8 47 47 ARG .223 1.278 1.029 4 7 11 48 48 ILE .225 .519 .400 4 4 8 49 49 GLN .184 1.404 1.053 4 5 9 50 50 LEU .400 .913 .705 4 4 8 51 51 PHE .266 1.448 1.166 4 7 11 52 52 ASP .773 1.781 1.373 4 4 8 53 53 GLY 1.473 .000 1.473 4 0 4 54 54 ASP 2.226 3.125 2.713 4 4 8 55 55 ASP 1.735 2.486 2.144 4 4 8 56 56 GLN 1.586 2.590 2.201 4 5 9 57 57 LEU .974 .918 .947 4 4 8 58 58 LYS .829 1.830 1.471 4 5 9 59 59 GLY .676 .000 .676 4 0 4 60 60 GLU .621 1.031 .873 4 5 9 61 61 LEU .396 1.135 .850 4 4 8 62 62 THR .501 .952 .730 4 3 7 63 63 ASP .642 .858 .758 4 4 8 64 64 GLY .383 .000 .383 4 0 4 65 65 ALA .513 .539 .519 4 1 5 66 66 LYS .378 1.077 .841 4 5 9 67 67 SER .277 .413 .328 4 2 6 68 68 LEU .229 .682 .508 4 4 8 69 69 LYS .221 .775 .596 4 5 9 70 70 ASP .170 .766 .555 4 4 8 71 71 LEU .171 .339 .269 4 4 8 72 72 GLY .353 .000 .353 4 0 4 73 73 VAL .350 .770 .569 4 3 7 74 74 ARG .428 1.505 1.228 4 7 11 75 75 ASP .484 1.099 .849 4 4 8 76 76 GLY .519 .000 .519 4 0 4 77 77 TYR .510 .829 .738 4 8 12 78 78 ARG .359 1.958 1.577 4 7 11 79 79 ILE .227 .384 .315 4 4 8 80 80 HIS .108 .232 .192 4 6 10 81 81 ALA .213 .240 .219 4 1 5 82 82 VAL .284 .222 .259 4 3 7 83 83 ASP .407 1.340 .990 4 4 8 84 84 VAL .378 .841 .621 4 3 7 85 85 THR .369 .542 .451 4 3 7 86 86 GLY .566 .000 .566 4 0 4 87 87 GLY .824 .000 .824 4 0 4 88 88 ASN .684 1.884 1.418 4 4 8 89 89 GLU 1.300 2.823 2.275 4 5 9 90 90 ASP 2.313 1.884 2.079 3 4 7 ENDMDL Model RMS deviations: .6597 1.4804 1.1321 359 334 693 MODEL 19 1 1 MET 1.369 4.700 3.461 4 4 8 2 2 THR 1.033 1.394 1.201 4 3 7 3 3 GLU .482 1.042 .841 4 5 9 4 4 VAL .395 .572 .479 4 3 7 5 5 TYR .353 2.494 2.046 4 8 12 6 6 ASP .330 1.067 .790 4 4 8 7 7 LEU .242 1.948 1.388 4 4 8 8 8 GLU .238 .597 .472 4 5 9 9 9 ILE .245 .792 .586 4 4 8 10 10 THR .150 1.121 .743 4 3 7 11 11 THR .269 .243 .258 4 3 7 12 12 ASN .527 .836 .699 4 4 8 13 13 ALA .603 .547 .592 4 1 5 14 14 THR .514 .470 .495 4 3 7 15 15 ASP .711 1.511 1.181 4 4 8 16 16 PHE .586 1.364 1.144 4 7 11 17 17 PRO .470 .638 .548 4 3 7 18 18 MET .217 .452 .354 4 4 8 19 19 GLU .415 1.665 1.272 4 5 9 20 20 LYS .444 1.125 .889 4 5 9 21 21 LYS .332 .507 .438 4 5 9 22 22 TYR .249 .713 .599 4 8 12 23 23 PRO .239 .261 .249 4 3 7 24 24 ALA .288 .371 .306 4 1 5 25 25 GLY .387 .000 .387 4 0 4 26 26 MET .284 1.427 1.029 4 4 8 27 27 SER .316 .401 .347 4 2 6 28 28 LEU .236 1.155 .834 4 4 8 29 29 ASN .371 .408 .390 4 4 8 30 30 ASP .209 .855 .622 4 4 8 31 31 LEU .182 .696 .509 4 4 8 32 32 LYS .270 .464 .390 4 5 9 33 33 LYS .391 .922 .735 4 5 9 34 34 LYS .408 1.941 1.472 4 5 9 35 35 LEU .667 3.217 2.323 4 4 8 36 36 GLU .725 1.827 1.445 4 5 9 37 37 LEU .714 .831 .774 4 4 8 38 38 VAL .823 1.128 .966 4 3 7 39 39 VAL .826 1.031 .920 4 3 7 40 40 GLY .798 .000 .798 4 0 4 41 41 THR 1.032 1.973 1.509 4 3 7 42 42 THR 1.011 .785 .921 4 3 7 43 43 VAL .800 1.511 1.159 4 3 7 44 44 ASP .736 1.037 .899 4 4 8 45 45 SER .662 .601 .642 4 2 6 46 46 MET .642 1.664 1.261 4 4 8 47 47 ARG .491 1.294 1.074 4 7 11 48 48 ILE .369 .945 .717 4 4 8 49 49 GLN .383 .795 .645 4 5 9 50 50 LEU .264 1.019 .744 4 4 8 51 51 PHE .194 1.323 1.062 4 7 11 52 52 ASP .413 1.785 1.295 4 4 8 53 53 GLY 1.002 .000 1.002 4 0 4 54 54 ASP 2.338 3.739 3.118 4 4 8 55 55 ASP .636 .756 .699 4 4 8 56 56 GLN .637 2.767 2.106 4 5 9 57 57 LEU .679 .772 .727 4 4 8 58 58 LYS .616 .743 .690 4 5 9 59 59 GLY .589 .000 .589 4 0 4 60 60 GLU .572 1.315 1.052 4 5 9 61 61 LEU .309 .906 .677 4 4 8 62 62 THR .289 .579 .438 4 3 7 63 63 ASP 1.023 .773 .907 4 4 8 64 64 GLY .445 .000 .445 4 0 4 65 65 ALA .436 .567 .465 4 1 5 66 66 LYS .200 .836 .637 4 5 9 67 67 SER .144 .301 .210 4 2 6 68 68 LEU .280 .413 .353 4 4 8 69 69 LYS .386 .788 .642 4 5 9 70 70 ASP .260 .704 .531 4 4 8 71 71 LEU .288 .323 .306 4 4 8 72 72 GLY .483 .000 .483 4 0 4 73 73 VAL .290 .298 .293 4 3 7 74 74 ARG .271 1.022 .831 4 7 11 75 75 ASP .273 .921 .679 4 4 8 76 76 GLY .272 .000 .272 4 0 4 77 77 TYR .302 .982 .820 4 8 12 78 78 ARG .195 1.956 1.565 4 7 11 79 79 ILE .257 .877 .646 4 4 8 80 80 HIS .308 .289 .297 4 6 10 81 81 ALA .367 .536 .406 4 1 5 82 82 VAL .410 .476 .439 4 3 7 83 83 ASP .298 1.998 1.428 4 4 8 84 84 VAL .400 .711 .555 4 3 7 85 85 THR .378 .560 .465 4 3 7 86 86 GLY .846 .000 .846 4 0 4 87 87 GLY 2.047 .000 2.047 4 0 4 88 88 ASN 2.287 3.753 3.107 4 4 8 89 89 GLU 5.497 6.025 5.796 4 5 9 90 90 ASP 8.143 9.663 9.043 3 4 7 ENDMDL Model RMS deviations: 1.1485 1.9225 1.5699 359 334 693 MODEL 20 1 1 MET 1.200 3.784 2.807 4 4 8 2 2 THR .249 .844 .584 4 3 7 3 3 GLU .447 1.399 1.084 4 5 9 4 4 VAL .425 .428 .427 4 3 7 5 5 TYR .586 3.202 2.636 4 8 12 6 6 ASP .399 1.369 1.008 4 4 8 7 7 LEU .302 1.697 1.219 4 4 8 8 8 GLU .171 1.005 .758 4 5 9 9 9 ILE .314 .607 .483 4 4 8 10 10 THR .165 1.074 .714 4 3 7 11 11 THR .249 .310 .277 4 3 7 12 12 ASN .563 .852 .722 4 4 8 13 13 ALA .655 .720 .669 4 1 5 14 14 THR .389 .547 .463 4 3 7 15 15 ASP .278 1.170 .850 4 4 8 16 16 PHE .216 1.473 1.182 4 7 11 17 17 PRO .303 .278 .293 4 3 7 18 18 MET .441 1.225 .921 4 4 8 19 19 GLU .478 .887 .734 4 5 9 20 20 LYS .478 1.271 .999 4 5 9 21 21 LYS .549 1.202 .968 4 5 9 22 22 TYR .490 .826 .731 4 8 12 23 23 PRO .443 .477 .458 4 3 7 24 24 ALA .406 .444 .414 4 1 5 25 25 GLY .331 .000 .331 4 0 4 26 26 MET .167 1.214 .867 4 4 8 27 27 SER .248 .173 .225 4 2 6 28 28 LEU .312 .691 .536 4 4 8 29 29 ASN .347 .398 .373 4 4 8 30 30 ASP .375 1.004 .758 4 4 8 31 31 LEU .478 1.286 .970 4 4 8 32 32 LYS .518 2.543 1.927 4 5 9 33 33 LYS .500 .952 .784 4 5 9 34 34 LYS .509 2.744 2.073 4 5 9 35 35 LEU .497 .587 .544 4 4 8 36 36 GLU .299 1.823 1.374 4 5 9 37 37 LEU .324 .338 .331 4 4 8 38 38 VAL .375 .381 .377 4 3 7 39 39 VAL .268 .406 .334 4 3 7 40 40 GLY .200 .000 .200 4 0 4 41 41 THR .162 .460 .325 4 3 7 42 42 THR .494 .596 .540 4 3 7 43 43 VAL .354 .611 .481 4 3 7 44 44 ASP .442 1.016 .784 4 4 8 45 45 SER .572 .677 .609 4 2 6 46 46 MET .486 .929 .741 4 4 8 47 47 ARG .306 3.148 2.518 4 7 11 48 48 ILE .247 .510 .401 4 4 8 49 49 GLN .187 1.284 .965 4 5 9 50 50 LEU .182 .558 .415 4 4 8 51 51 PHE .226 1.280 1.030 4 7 11 52 52 ASP .678 1.503 1.166 4 4 8 53 53 GLY 1.261 .000 1.261 4 0 4 54 54 ASP 1.567 2.592 2.142 4 4 8 55 55 ASP 1.455 2.777 2.217 4 4 8 56 56 GLN 1.144 2.217 1.820 4 5 9 57 57 LEU .564 .837 .714 4 4 8 58 58 LYS .685 3.753 2.835 4 5 9 59 59 GLY .829 .000 .829 4 0 4 60 60 GLU .834 1.333 1.139 4 5 9 61 61 LEU .405 1.218 .908 4 4 8 62 62 THR .111 2.015 1.322 4 3 7 63 63 ASP .504 1.206 .924 4 4 8 64 64 GLY .334 .000 .334 4 0 4 65 65 ALA .369 .403 .376 4 1 5 66 66 LYS .324 .819 .648 4 5 9 67 67 SER .223 .342 .269 4 2 6 68 68 LEU .179 1.331 .949 4 4 8 69 69 LYS .242 .890 .683 4 5 9 70 70 ASP .295 .739 .563 4 4 8 71 71 LEU .301 .260 .281 4 4 8 72 72 GLY .393 .000 .393 4 0 4 73 73 VAL .277 .681 .493 4 3 7 74 74 ARG .297 1.042 .850 4 7 11 75 75 ASP .400 .873 .679 4 4 8 76 76 GLY .362 .000 .362 4 0 4 77 77 TYR .201 .841 .696 4 8 12 78 78 ARG .254 2.595 2.076 4 7 11 79 79 ILE .039 .256 .183 4 4 8 80 80 HIS .072 .165 .136 4 6 10 81 81 ALA .256 .415 .294 4 1 5 82 82 VAL .543 .468 .512 4 3 7 83 83 ASP .736 2.050 1.540 4 4 8 84 84 VAL .820 .808 .815 4 3 7 85 85 THR .985 1.304 1.132 4 3 7 86 86 GLY .863 .000 .863 4 0 4 87 87 GLY .969 .000 .969 4 0 4 88 88 ASN 1.048 1.992 1.592 4 4 8 89 89 GLU .791 1.366 1.147 4 5 9 90 90 ASP 1.962 2.801 2.477 3 4 7 ENDMDL Model RMS deviations: .5763 1.5619 1.1609 359 334 693 ALL MODELS 1 1 MET 1.426 3.200 2.477 80 80 160 2 2 THR .845 1.869 1.380 80 60 140 3 3 GLU .533 1.733 1.340 80 100 180 4 4 VAL .398 .529 .459 80 60 140 5 5 TYR .469 3.160 2.595 80 160 240 6 6 ASP .454 1.724 1.260 80 80 160 7 7 LEU .372 1.491 1.086 80 80 160 8 8 GLU .344 1.152 .889 80 100 180 9 9 ILE .439 .855 .680 80 80 160 10 10 THR .370 .974 .696 80 60 140 11 11 THR .384 .396 .389 80 60 140 12 12 ASN .519 1.165 .902 80 80 160 13 13 ALA .556 .616 .568 80 20 100 14 14 THR .467 .560 .509 80 60 140 15 15 ASP .468 1.320 .990 80 80 160 16 16 PHE .427 2.121 1.711 80 140 220 17 17 PRO .452 .518 .481 80 60 140 18 18 MET .483 1.204 .917 80 80 160 19 19 GLU .503 1.236 .980 80 100 180 20 20 LYS .441 1.325 1.031 80 100 180 21 21 LYS .439 1.430 1.106 80 100 180 22 22 TYR .432 1.157 .977 80 160 240 23 23 PRO .415 .477 .443 80 60 140 24 24 ALA .399 .493 .419 80 20 100 25 25 GLY .437 .000 .437 80 0 80 26 26 MET .380 1.489 1.086 80 80 160 27 27 SER .429 .518 .461 80 40 120 28 28 LEU .455 1.065 .819 80 80 160 29 29 ASN .462 .867 .695 80 80 160 30 30 ASP .466 .935 .739 80 80 160 31 31 LEU .513 1.117 .869 80 80 160 32 32 LYS .457 1.351 1.052 80 100 180 33 33 LYS .455 .783 .658 80 100 180 34 34 LYS .513 1.648 1.275 80 100 180 35 35 LEU .548 1.126 .885 80 80 160 36 36 GLU .459 1.779 1.361 80 100 180 37 37 LEU .495 .575 .536 80 80 160 38 38 VAL .564 .726 .638 80 60 140 39 39 VAL .517 .587 .548 80 60 140 40 40 GLY .544 .000 .544 80 0 80 41 41 THR .550 .842 .690 80 60 140 42 42 THR .592 .843 .710 80 60 140 43 43 VAL .681 1.016 .841 80 60 140 44 44 ASP .820 1.393 1.143 80 80 160 45 45 SER .626 .755 .671 80 40 120 46 46 MET .536 1.252 .963 80 80 160 47 47 ARG .413 1.724 1.397 80 140 220 48 48 ILE .398 1.035 .784 80 80 160 49 49 GLN .369 1.154 .895 80 100 180 50 50 LEU .424 .785 .631 80 80 160 51 51 PHE .526 1.435 1.188 80 140 220 52 52 ASP .880 2.044 1.574 80 80 160 53 53 GLY 1.723 .000 1.723 80 0 80 54 54 ASP 2.145 3.462 2.880 80 80 160 55 55 ASP 1.865 3.304 2.683 80 80 160 56 56 GLN 1.123 2.340 1.898 80 100 180 57 57 LEU .796 1.048 .930 80 80 160 58 58 LYS .829 1.658 1.354 80 100 180 59 59 GLY .831 .000 .831 80 0 80 60 60 GLU .858 1.647 1.354 80 100 180 61 61 LEU .586 1.776 1.322 80 80 160 62 62 THR .991 1.364 1.165 80 60 140 63 63 ASP 1.051 1.184 1.119 80 80 160 64 64 GLY .667 .000 .667 80 0 80 65 65 ALA .714 .829 .738 80 20 100 66 66 LYS .561 1.387 1.099 80 100 180 67 67 SER .468 .631 .528 80 40 120 68 68 LEU .367 .835 .645 80 80 160 69 69 LYS .441 1.202 .943 80 100 180 70 70 ASP .512 1.050 .826 80 80 160 71 71 LEU .462 .609 .541 80 80 160 72 72 GLY .457 .000 .457 80 0 80 73 73 VAL .493 .491 .492 80 60 140 74 74 ARG .352 1.725 1.392 80 140 220 75 75 ASP .371 1.366 1.001 80 80 160 76 76 GLY .430 .000 .430 80 0 80 77 77 TYR .340 .965 .812 80 160 240 78 78 ARG .325 2.295 1.841 80 140 220 79 79 ILE .317 .609 .486 80 80 160 80 80 HIS .265 .307 .291 80 120 200 81 81 ALA .295 .345 .306 80 20 100 82 82 VAL .397 .376 .388 80 60 140 83 83 ASP .495 1.596 1.182 80 80 160 84 84 VAL .676 1.132 .900 80 60 140 85 85 THR .743 1.069 .897 80 60 140 86 86 GLY .831 .000 .831 80 0 80 87 87 GLY 1.237 .000 1.237 80 0 80 88 88 ASN 1.510 2.516 2.075 80 80 160 89 89 GLU 3.117 3.971 3.617 80 100 180 90 90 ASP 4.760 5.949 5.471 60 80 140 ENDMDL Overall RMS deviation: .8757 1.7089 1.3434 7180 6680 13860