==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-07 2OOY . COMPND 2 MOLECULE: SNF1-LIKE PROTEIN KINASE SSP2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR R.TOWNLEY,L.SHAPIRO . 1084 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 97 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 3 1 3 6 4 3 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 18 5 2 6 4 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 1 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 447 A S 0 0 128 0, 0.0 4,-0.1 0, 0.0 166,-0.0 0.000 360.0 360.0 360.0 75.1 -2.9 13.5 33.8 2 448 A R - 0 0 78 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.218 360.0 -70.0-172.2 30.1 -1.2 16.7 35.0 3 449 A R S S+ 0 0 72 1,-0.1 2,-0.8 3,-0.0 0, 0.0 0.255 119.7 101.5 78.1 -5.0 -3.1 19.5 33.1 4 450 A N + 0 0 21 189,-0.1 2,-0.2 190,-0.0 -1,-0.1 -0.797 69.0 117.5 -84.4 70.5 -1.4 18.2 30.0 5 451 A K - 0 0 87 -2,-0.8 2,-0.3 -4,-0.1 189,-0.2 -0.691 69.4 -50.6-136.1-176.0 -4.9 16.5 29.5 6 452 A W + 0 0 36 -2,-0.2 158,-0.5 187,-0.1 2,-0.3 -0.434 54.4 151.5 -81.0 129.8 -7.8 16.5 27.1 7 453 A H E -A 192 0A 25 185,-1.8 185,-2.8 -2,-0.3 155,-0.1 -0.955 46.8 -88.2-143.1 160.1 -9.5 19.6 25.9 8 454 A F E S-A 191 0A 16 153,-0.4 183,-0.3 -2,-0.3 77,-0.1 -0.329 75.5 -29.7 -76.8 152.3 -11.3 20.3 22.8 9 455 A G S S- 0 0 0 181,-2.9 2,-0.5 1,-0.1 183,-0.3 0.114 99.9 -35.7 52.2-151.7 -9.8 21.5 19.6 10 456 A V E -H 85 0B 7 75,-2.0 75,-3.7 181,-0.1 -1,-0.1 -0.927 54.0-126.3-120.8 124.4 -6.8 23.7 19.5 11 457 A R E -H 84 0B 78 -2,-0.5 2,-0.3 73,-0.2 73,-0.3 -0.323 31.7-169.9 -64.4 147.6 -5.8 26.3 22.0 12 458 A C E -H 83 0B 0 71,-3.5 71,-3.9 835,-0.1 2,-0.3 -0.978 11.4-172.1-140.2 154.7 -5.1 29.8 20.6 13 459 A R E +H 82 0B 95 833,-2.5 2,-0.4 -2,-0.3 69,-0.2 -0.949 49.5 35.0-141.6 160.3 -3.6 33.2 21.7 14 460 A G S S- 0 0 36 67,-1.2 2,-0.6 -2,-0.3 67,-0.2 -0.826 102.8 -3.9 97.2-135.2 -3.2 36.7 20.4 15 461 A D >> - 0 0 79 -2,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.872 51.4-137.6-116.5 119.7 -5.8 38.3 18.1 16 462 A A H 3> S+ 0 0 6 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.717 107.2 49.0 -19.1 -61.8 -8.9 36.6 16.7 17 463 A P H 3> S+ 0 0 31 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.967 111.1 49.4 -54.7 -54.0 -8.4 38.2 13.3 18 464 A E H <> S+ 0 0 84 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.898 111.2 51.4 -50.7 -42.2 -4.7 37.0 13.2 19 465 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-1.0 0.991 107.3 50.1 -59.6 -66.0 -5.8 33.5 14.2 20 466 A L H 3X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.894 109.1 54.8 -36.2 -57.2 -8.5 33.2 11.5 21 467 A L H 3X S+ 0 0 23 -4,-2.9 4,-2.6 1,-0.2 -1,-0.3 0.885 108.4 47.4 -43.3 -50.8 -5.7 34.3 9.1 22 468 A A H S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-1.3 0.882 114.2 59.8 -30.2 -52.0 -6.2 25.1 5.4 28 474 A Q H ><5S+ 0 0 85 -4,-4.3 3,-1.3 1,-0.3 -2,-0.2 0.943 111.3 34.7 -54.5 -59.6 -4.7 26.9 2.4 29 475 A R H 3<5S+ 0 0 131 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.602 110.2 65.5 -80.7 -12.8 -1.5 25.1 2.4 30 476 A A H 3<5S- 0 0 29 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.757 113.2-116.6 -66.1 -28.1 -3.1 21.9 3.5 31 477 A G T <<5 + 0 0 54 -3,-1.3 25,-0.4 -4,-1.3 -3,-0.2 0.672 68.8 138.4 85.3 21.8 -5.0 21.8 0.3 32 478 A A < - 0 0 5 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.385 48.7-131.0 -86.0 178.1 -8.4 22.1 1.9 33 479 A Q E -I 54 0B 51 21,-1.8 21,-4.1 -2,-0.1 2,-0.2 -0.999 28.8-169.2-135.8 132.3 -11.1 24.3 0.5 34 480 A F E -I 53 0B 0 -2,-0.4 100,-3.6 19,-0.3 2,-0.3 -0.669 27.4-105.8-126.8 167.5 -12.9 26.7 2.7 35 481 A T - 0 0 31 17,-1.2 98,-0.1 98,-0.2 17,-0.0 -0.718 39.4-142.3 -87.4 144.2 -15.9 29.0 3.1 36 482 A V - 0 0 32 96,-0.4 101,-0.0 -2,-0.3 96,-0.0 -0.813 24.9 -91.3-113.6 145.9 -14.9 32.7 3.0 37 483 A P - 0 0 8 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 -0.298 36.8-163.0 -57.1 140.0 -16.4 35.6 5.0 38 484 A K - 0 0 154 7,-0.1 2,-0.2 5,-0.0 7,-0.1 -0.994 10.4-142.9-120.7 123.3 -19.3 37.5 3.5 39 485 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.583 19.8-122.5 -79.4 154.5 -20.2 40.8 4.8 40 486 A V B > -N 43 0C 110 3,-1.2 3,-2.4 -2,-0.2 2,-2.3 -0.825 65.9 -90.4 -69.6 133.6 -23.7 42.3 5.2 41 487 A N T 3 S+ 0 0 158 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 0.140 127.4 60.1 -68.4 32.8 -22.6 45.2 3.0 42 488 A G T 3 S- 0 0 78 -2,-2.3 -1,-0.3 1,-0.5 2,-0.3 0.623 123.8 -76.5 -97.8 -33.8 -21.3 47.6 5.7 43 489 A K B < -N 40 0C 49 -3,-2.4 -3,-1.2 1,-0.1 -1,-0.5 -0.925 66.5 -33.1 158.8-165.1 -18.7 44.9 6.6 44 490 A Y - 0 0 64 -2,-0.3 2,-0.3 -5,-0.2 -2,-0.1 0.366 38.9-159.2 -75.9-172.8 -18.3 41.6 8.5 45 491 A R > - 0 0 173 1,-0.1 3,-2.6 -7,-0.1 4,-0.2 -0.980 41.5 -74.0-159.5 171.3 -19.7 39.7 11.5 46 492 A S G > S+ 0 0 47 1,-0.3 3,-2.8 -2,-0.3 2,-0.2 0.847 115.1 67.5 -31.8 -67.0 -19.1 36.9 14.1 47 493 A D G > S+ 0 0 103 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.494 74.7 86.0 -48.2 0.6 -19.7 34.0 11.8 48 494 A M G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.687 84.7 62.9 -68.2 -11.4 -16.6 34.9 9.9 49 495 A Y G < S+ 0 0 2 -3,-2.8 26,-1.6 -4,-0.2 2,-0.3 -0.102 87.3 80.3 -97.3 27.7 -15.1 32.7 12.7 50 496 A T E < - J 0 74B 34 -3,-1.1 2,-0.3 24,-0.2 24,-0.2 -0.829 63.5-178.6-141.0 89.6 -17.0 29.7 11.4 51 497 A I E - J 0 73B 2 22,-2.2 22,-3.2 -2,-0.3 2,-0.5 -0.661 14.9-155.9 -96.2 146.6 -15.3 28.1 8.5 52 498 A K E - J 0 72B 63 -2,-0.3 -17,-1.2 20,-0.2 2,-0.4 -0.993 17.2-164.0-119.5 132.1 -16.5 25.1 6.6 53 499 A S E -IJ 34 71B 0 18,-3.6 18,-2.0 -2,-0.5 2,-0.5 -0.910 16.4-150.8-120.8 143.5 -13.9 23.2 4.8 54 500 A R E -IJ 33 70B 50 -21,-4.1 -21,-1.8 -2,-0.4 2,-0.4 -0.934 19.5-168.6-103.6 134.1 -13.9 20.6 2.0 55 501 A W E - J 0 69B 10 14,-2.6 14,-3.6 -2,-0.5 2,-0.6 -0.972 22.4-133.7-122.7 133.4 -11.1 18.1 2.1 56 502 A E E - J 0 68B 78 -25,-0.4 12,-0.2 -2,-0.4 3,-0.1 -0.744 33.4-122.2 -78.0 123.2 -10.1 15.7 -0.6 57 503 A I >> - 0 0 0 10,-2.4 4,-1.9 -2,-0.6 3,-1.1 -0.572 21.9-140.7 -69.2 104.9 -9.6 12.4 1.4 58 504 A P H 3> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.772 96.2 44.5 -37.6 -48.3 -6.0 11.7 0.4 59 505 A H H 3> S+ 0 0 17 226,-0.3 4,-0.6 2,-0.2 227,-0.1 0.866 111.6 54.0 -69.6 -34.0 -6.4 7.9 0.1 60 506 A C H X4 S+ 0 0 0 -3,-1.1 3,-1.4 2,-0.2 -1,-0.2 0.985 110.3 46.6 -58.7 -56.7 -9.6 8.3 -1.8 61 507 A K H 3< S+ 0 0 116 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.928 106.1 58.4 -40.0 -69.4 -8.0 10.6 -4.4 62 508 A R H 3< S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.411 108.4 44.9 -56.6 -11.4 -4.9 8.4 -4.9 63 509 A E S << S- 0 0 138 -3,-1.4 2,-1.2 -4,-0.6 -1,-0.3 -0.441 124.7 -88.2-128.7 62.0 -6.8 5.4 -6.0 64 510 A G S S+ 0 0 62 -3,-0.5 -4,-0.1 1,-0.1 -2,-0.0 -0.630 86.9 106.8 80.6 -86.2 -9.3 7.0 -8.4 65 511 A K - 0 0 71 -2,-1.2 2,-0.5 1,-0.1 -2,-0.2 0.416 59.3-134.2 -43.4 162.7 -12.5 8.1 -6.5 66 512 A N + 0 0 77 29,-0.1 29,-1.7 -10,-0.0 2,-0.4 -0.685 40.8 156.3-126.6 73.9 -13.5 11.7 -5.6 67 513 A T E - K 0 94B 1 -2,-0.5 -10,-2.4 27,-0.2 2,-0.3 -0.837 23.3-151.3-111.7 144.6 -14.6 11.7 -2.0 68 514 A Y E -JK 56 93B 34 25,-1.6 25,-2.0 -2,-0.4 2,-0.5 -0.803 10.4-142.2-120.9 143.6 -14.6 14.6 0.3 69 515 A A E -JK 55 92B 1 -14,-3.6 -14,-2.6 -2,-0.3 2,-0.6 -0.951 15.5-152.1-109.1 131.9 -14.3 15.4 4.0 70 516 A Y E +JK 54 91B 51 21,-2.2 20,-3.0 -2,-0.5 21,-0.6 -0.879 19.4 174.0-103.7 117.5 -16.4 18.1 5.5 71 517 A I E -JK 53 89B 4 -18,-2.0 -18,-3.6 -2,-0.6 2,-0.4 -0.985 15.0-159.9-131.3 120.7 -15.0 19.9 8.5 72 518 A E E -J 52 0B 43 16,-2.5 2,-0.5 -2,-0.4 -20,-0.2 -0.877 10.4-160.0-102.6 139.9 -16.4 22.9 10.2 73 519 A L E -J 51 0B 0 -22,-3.2 -22,-2.2 -2,-0.4 2,-0.3 -0.969 7.3-173.3-126.0 128.4 -14.2 25.0 12.3 74 520 A Q E -JL 50 86B 25 12,-3.0 12,-2.0 -2,-0.5 2,-0.4 -0.874 10.6-151.8-114.7 151.6 -15.3 27.4 15.0 75 521 A L E - L 0 85B 2 -26,-1.6 2,-0.4 -2,-0.3 10,-0.2 -0.992 15.5-175.7-122.7 134.2 -13.2 29.9 17.0 76 522 A Y E - L 0 84B 33 8,-0.9 8,-1.7 -2,-0.4 2,-0.4 -0.958 26.1-129.2-125.2 142.1 -14.2 30.9 20.5 77 523 A E E -mL 156 83B 45 78,-2.8 80,-1.8 -2,-0.4 6,-0.3 -0.792 22.9-178.5 -79.2 134.7 -12.7 33.4 22.9 78 524 A V E S- 0 0 85 4,-4.1 5,-0.2 1,-0.7 -1,-0.2 0.791 73.6 -22.7 -97.0 -52.2 -12.2 31.6 26.3 79 525 A M E > S- L 0 82B 116 3,-0.7 3,-2.6 77,-0.0 -1,-0.7 -0.894 103.5 -56.1-139.4 175.4 -10.9 34.6 28.1 80 526 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.127 129.4 11.1 -54.3 144.6 -9.2 37.8 26.5 81 527 A G T 3 S+ 0 0 32 -67,-0.2 -67,-1.2 1,-0.1 2,-0.5 0.311 113.4 103.7 69.1 -7.8 -6.2 36.8 24.3 82 528 A C E < +HL 13 79B 31 -3,-2.6 -4,-4.1 -69,-0.2 -3,-0.7 -0.914 44.8 167.9-119.6 126.2 -7.3 33.1 24.6 83 529 A F E -HL 12 77B 11 -71,-3.9 -71,-3.5 -2,-0.5 2,-0.6 -0.912 28.6-144.2-139.2 158.7 -9.1 30.9 22.0 84 530 A M E -HL 11 76B 16 -8,-1.7 2,-1.5 -2,-0.3 -8,-0.9 -0.922 14.7-149.0-121.1 104.6 -10.1 27.4 21.1 85 531 A L E -HL 10 75B 1 -75,-3.7 -75,-2.0 -2,-0.6 2,-0.5 -0.587 24.2-154.7 -70.2 95.5 -10.1 26.5 17.5 86 532 A D E - 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0 0 24 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.893 55.8-146.5-141.6 167.6 27.0 19.6 30.0 813 56 E V S S+ 0 0 31 -2,-0.3 18,-0.5 -3,-0.1 2,-0.3 0.240 76.6 24.7-125.8 2.2 25.3 22.5 28.2 814 57 E S - 0 0 11 16,-0.2 16,-0.2 -7,-0.1 -22,-0.1 -0.950 56.4-172.1-154.3 171.6 26.7 22.5 24.7 815 58 E A E - F 0 829L 1 14,-1.6 14,-2.2 -2,-0.3 -22,-0.1 -0.819 29.7-110.1-168.6 134.9 28.2 20.1 22.2 816 59 E P E - F 0 828L 4 0, 0.0 -22,-2.8 0, 0.0 2,-0.4 -0.336 35.5-131.9 -53.5 141.7 29.9 20.2 18.8 817 60 E L E -e 794 0L 0 10,-3.2 9,-2.6 -24,-0.2 10,-0.4 -0.818 19.0-155.6-103.8 152.4 27.8 18.7 16.1 818 61 E W E -eF 795 825L 0 -24,-2.4 -22,-2.3 -2,-0.4 2,-0.5 -0.972 10.3-159.9-133.8 133.2 29.4 16.3 13.7 819 62 E D E >>> - F 0 824L 37 5,-1.5 4,-2.3 -2,-0.4 5,-1.0 -0.848 6.1-175.3-123.2 94.6 28.4 15.4 10.2 820 63 E S G >45S+ 0 0 13 -2,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.954 77.3 71.1 -59.0 -62.9 29.8 12.1 9.2 821 64 E E G 345S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -216,-0.1 0.740 123.9 11.8 -0.2 -71.9 28.6 12.3 5.6 822 65 E A G <45S- 0 0 43 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.534 99.0-124.5-102.8 -10.0 31.2 15.0 5.0 823 66 E N T <<5 + 0 0 6 -4,-2.3 89,-1.8 -3,-0.8 2,-0.3 0.981 64.7 134.6 57.7 59.2 33.3 14.7 8.2 824 67 E K E < -F 819 0L 117 -5,-1.0 -5,-1.5 87,-0.2 -1,-0.2 -0.979 65.6 -98.9-138.5 146.7 32.9 18.4 9.0 825 68 E F E -F 818 0L 27 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.456 31.6-165.3 -61.4 132.1 32.0 20.4 12.1 826 69 E A E - 0 0 20 -9,-2.6 -8,-0.2 1,-0.5 -1,-0.1 0.140 48.0 -83.4-112.3 19.8 28.3 21.2 11.9 827 70 E G E - 0 0 0 -10,-0.4 -10,-3.2 49,-0.1 2,-0.6 -0.385 50.6 -70.8 100.4 175.2 28.2 23.9 14.5 828 71 E L E -F 816 0L 13 -12,-0.2 2,-0.1 -2,-0.1 -1,-0.0 -0.910 35.9-140.6-120.6 101.1 28.0 24.1 18.2 829 72 E L E +F 815 0L 1 -14,-2.2 -14,-1.6 -2,-0.6 2,-0.3 -0.391 34.9 169.0 -63.8 133.4 24.7 23.2 19.9 830 73 E T > - 0 0 0 -16,-0.2 4,-0.9 -2,-0.1 -16,-0.2 -0.879 52.3-105.7-141.8 168.1 24.1 25.6 22.8 831 74 E M H > S+ 0 0 0 -18,-0.5 4,-2.4 -2,-0.3 5,-0.3 0.825 117.9 68.8 -67.4 -18.6 21.3 26.5 25.1 832 75 E A H > S+ 0 0 1 1,-0.3 4,-5.3 2,-0.2 -1,-0.2 0.964 87.2 62.7 -65.4 -49.6 21.0 29.6 23.0 833 76 E D H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.876 110.7 41.9 -33.8 -51.4 19.8 27.5 20.1 834 77 E F H X S+ 0 0 3 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.904 113.1 47.6 -74.0 -45.7 16.9 26.7 22.5 835 78 E V H X S+ 0 0 0 -4,-2.4 4,-3.6 3,-0.2 5,-0.2 0.932 115.0 57.2 -47.0 -45.3 16.3 30.1 23.9 836 79 E N H X S+ 0 0 2 -4,-5.3 4,-1.8 -5,-0.3 -2,-0.2 0.925 113.1 27.9 -63.9 -59.4 16.5 31.1 20.3 837 80 E V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.911 120.2 60.4 -63.6 -36.9 13.8 29.1 18.4 838 81 E I H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.4 3,-0.4 0.952 105.8 45.7 -59.1 -47.1 11.9 29.1 21.7 839 82 E K H X S+ 0 0 10 -4,-3.6 4,-1.1 1,-0.2 -1,-0.3 0.926 110.9 57.1 -51.5 -47.3 11.8 32.9 21.7 840 83 E Y H < S+ 0 0 77 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.818 104.7 47.3 -61.1 -41.1 10.8 32.7 18.1 841 84 E Y H >< S+ 0 0 23 -4,-2.4 3,-2.0 -3,-0.4 -1,-0.2 0.953 104.9 60.2 -65.6 -45.3 7.8 30.6 18.5 842 85 E Y H 3< S+ 0 0 74 -4,-1.7 3,-0.2 1,-0.3 -2,-0.2 0.715 116.1 30.7 -58.8 -29.3 6.3 32.6 21.5 843 86 E Q T 3< S+ 0 0 90 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.229 121.9 47.8-111.0 7.0 6.0 35.8 19.6 844 87 E S S < S+ 0 0 49 -3,-2.0 2,-0.2 -4,-0.2 -1,-0.2 -0.314 101.4 52.5-148.0 62.5 5.4 34.6 16.1 845 88 E S - 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