==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUL-01 1JNQ . COMPND 2 MOLECULE: LIPOXYGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR K.ZHOU,E.SKRZYPCZAK-JANKUN,J.JANKUN . 849 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 62 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.5 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 5 5 4 2 1 1 0 2 1 0 2 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 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 . 5 5 2 1 2 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 2 1 0 0 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 9 A G 0 0 116 0, 0.0 2,-0.2 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 154.2 44.5 35.3 -24.8 2 10 A H - 0 0 78 96,-0.1 95,-1.0 2,-0.0 2,-0.4 -0.544 360.0-139.1 154.5 146.3 43.5 31.7 -24.0 3 11 A K E -A 96 0A 107 93,-0.2 2,-0.3 -2,-0.2 93,-0.2 -0.961 8.0-153.1-134.3 115.8 40.5 29.7 -22.7 4 12 A I E -A 95 0A 4 91,-3.0 91,-2.1 -2,-0.4 2,-0.5 -0.655 24.2-127.2 -82.5 137.9 40.7 26.8 -20.2 5 13 A K E -A 94 0A 122 -2,-0.3 120,-1.8 121,-0.2 2,-0.3 -0.784 26.6-171.8 -94.2 128.2 37.8 24.4 -20.5 6 14 A G E -AB 93 124A 6 87,-3.1 87,-2.1 -2,-0.5 2,-0.5 -0.887 16.0-161.1-121.3 146.1 35.8 23.5 -17.4 7 15 A T E -AB 92 123A 23 116,-1.3 116,-1.1 -2,-0.3 2,-0.5 -0.998 14.4-159.8-122.7 116.2 33.1 20.9 -16.8 8 16 A V E -AB 91 122A 2 83,-3.5 83,-2.3 -2,-0.5 2,-0.5 -0.915 3.9-165.2-101.2 122.3 31.0 21.6 -13.7 9 17 A V E +AB 90 121A 18 112,-2.5 111,-2.1 -2,-0.5 112,-1.4 -0.946 21.6 152.7-110.1 126.0 29.1 18.7 -12.2 10 18 A L E -AB 89 119A 0 79,-2.6 79,-3.0 -2,-0.5 2,-0.4 -0.900 34.8-133.0-142.8 170.9 26.3 19.4 -9.8 11 19 A M E -AB 88 118A 14 107,-2.0 107,-2.9 -2,-0.3 77,-0.1 -0.997 23.8-126.4-132.9 127.9 23.0 18.0 -8.4 12 20 A R E >> - B 0 117A 50 75,-0.5 3,-1.1 -2,-0.4 4,-0.7 -0.284 24.7-114.6 -67.9 157.4 19.8 20.0 -8.0 13 21 A K H >> S+ 0 0 52 103,-0.6 4,-2.0 1,-0.2 3,-1.5 0.912 113.3 64.2 -58.6 -43.2 18.0 20.0 -4.6 14 22 A N H 34 S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.2 103,-0.0 0.700 99.5 54.2 -53.5 -25.8 15.0 18.2 -6.1 15 23 A V H <4 S+ 0 0 24 -3,-1.1 -1,-0.3 72,-0.1 -2,-0.2 0.779 120.1 28.5 -82.3 -26.1 17.2 15.2 -6.7 16 24 A L H << S+ 0 0 15 -3,-1.5 242,-1.1 -4,-0.7 2,-0.4 0.509 93.4 97.1-115.9 -8.2 18.5 14.9 -3.1 17 25 A D X - 0 0 48 -4,-2.0 4,-3.4 240,-0.2 3,-0.5 -0.759 61.6-139.8 -95.2 135.1 15.8 16.2 -0.7 18 26 A V T 4 S+ 0 0 16 -2,-0.4 4,-0.2 1,-0.2 -1,-0.1 0.865 98.2 55.5 -51.5 -54.5 13.3 14.0 1.1 19 27 A N T 4 S+ 0 0 118 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.879 121.3 32.7 -50.1 -40.8 10.2 16.1 0.9 20 28 A S T >4 S+ 0 0 51 -3,-0.5 3,-1.1 1,-0.2 -2,-0.2 0.873 109.4 65.2 -84.0 -40.1 10.6 16.2 -2.9 21 29 A V G >< + 0 0 4 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.328 68.9 107.5 -67.4 12.7 12.1 12.7 -3.2 22 30 A T G 3 S+ 0 0 76 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.648 70.5 64.6 -64.5 -12.8 8.7 11.5 -1.9 23 31 A S G < S+ 0 0 111 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.238 77.9 82.8 -95.8 9.5 8.3 10.3 -5.5 24 32 A V < + 0 0 27 -3,-1.8 237,-1.2 1,-0.1 2,-1.1 -0.233 44.6 141.9-107.5 43.0 11.2 7.7 -5.4 25 33 A G + 0 0 59 -3,-0.2 2,-0.3 236,-0.1 -1,-0.1 -0.033 66.3 43.8 -74.5 36.0 9.1 4.9 -3.8 26 34 A G S S- 0 0 37 -2,-1.1 2,-0.7 2,-0.0 235,-0.3 -0.878 105.5 -43.4-158.7-170.5 11.0 2.5 -6.0 27 35 A I + 0 0 146 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.587 48.7 159.1 -78.1 109.9 14.3 1.4 -7.5 28 36 A I + 0 0 67 -2,-0.7 -1,-0.1 -4,-0.2 231,-0.1 -0.629 19.5 138.1-128.9 66.1 16.4 4.2 -8.7 29 37 A G S S- 0 0 70 -2,-0.2 57,-0.2 230,-0.1 2,-0.1 0.452 98.1 -37.3 -83.9 -3.3 19.9 2.9 -8.8 30 38 A Q - 0 0 129 -3,-0.1 4,-0.1 55,-0.1 57,-0.1 -0.499 60.8-170.9-175.6-104.5 20.0 4.8 -12.1 31 39 A G S > S- 0 0 44 -2,-0.1 3,-0.9 1,-0.1 -3,-0.0 0.938 88.1 -34.0 85.3 60.6 17.1 5.1 -14.4 32 40 A L T 3 S- 0 0 150 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.221 86.2-107.6 79.9 -12.0 18.6 6.8 -17.5 33 41 A D T 3 - 0 0 48 1,-0.2 -1,-0.2 2,-0.1 55,-0.1 0.845 42.1-138.3 57.7 34.9 21.0 8.7 -15.2 34 42 A L < - 0 0 84 -3,-0.9 53,-0.4 1,-0.2 -1,-0.2 0.066 15.3-158.9 -34.1 97.3 18.8 11.7 -16.1 35 43 A V - 0 0 10 -3,-0.3 55,-0.2 44,-0.2 -1,-0.2 0.584 29.0-123.8 -57.1 -19.8 21.4 14.4 -16.6 36 44 A G S >S+ 0 0 1 53,-0.1 5,-0.9 1,-0.1 6,-0.8 0.103 106.4 90.9 88.7 -26.2 19.0 17.4 -16.1 37 45 A S T 5S+ 0 0 8 42,-0.2 2,-0.4 41,-0.2 3,-0.4 0.385 77.6 77.8 -75.0 -3.1 20.4 18.3 -19.6 38 46 A T T 5S+ 0 0 55 1,-0.3 3,-0.4 41,-0.0 4,-0.2 -0.872 105.6 12.7-103.0 140.4 17.3 16.1 -20.2 39 47 A L T 5S- 0 0 146 -2,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.978 105.0-122.5 47.8 60.9 14.0 18.1 -19.8 40 48 A D T 5 + 0 0 66 -3,-0.4 -1,-0.2 1,-0.2 3,-0.2 -0.159 68.8 137.5 -43.0 85.3 16.2 21.2 -19.7 41 49 A T > < + 0 0 67 -5,-0.9 3,-1.1 -2,-0.8 -1,-0.2 0.370 62.2 83.6-102.7 -9.3 15.3 22.8 -16.4 42 50 A L T 3 + 0 0 0 -6,-0.8 3,-0.5 1,-0.2 -1,-0.1 0.238 61.8 84.6 -79.6 7.7 19.1 23.4 -16.3 43 51 A T T >> S+ 0 0 77 1,-0.2 3,-2.6 -3,-0.2 4,-0.6 0.751 74.8 75.1 -79.8 -22.0 18.9 26.5 -18.4 44 52 A A T <4 S+ 0 0 49 -3,-1.1 3,-0.3 1,-0.3 -1,-0.2 0.729 92.0 53.4 -58.8 -25.2 18.2 28.3 -15.1 45 53 A F T 34 S+ 0 0 12 -3,-0.5 5,-0.5 1,-0.2 -1,-0.3 0.356 99.1 71.2 -90.4 4.5 21.9 28.0 -14.3 46 54 A L T <4 S+ 0 0 42 -3,-2.6 -2,-0.2 3,-0.1 -1,-0.2 0.711 80.7 69.1 -94.7 -25.5 22.7 29.6 -17.6 47 55 A G S < S- 0 0 49 -4,-0.6 3,-0.1 -3,-0.3 -2,-0.1 0.790 125.4 -53.9 -60.2-116.4 21.7 33.2 -17.2 48 56 A R S S+ 0 0 179 -4,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.104 105.9 119.3-116.6 29.2 23.9 35.2 -14.8 49 57 A S + 0 0 21 1,-0.2 63,-2.1 -5,-0.1 64,-0.5 0.847 66.3 24.7 -66.0 -49.3 23.2 32.5 -12.2 50 58 A V E -E 111 0B 2 -5,-0.5 24,-1.8 61,-0.2 2,-0.4 -0.964 61.2-168.7-133.4 124.9 26.5 31.0 -11.2 51 59 A S E -EF 110 73B 7 59,-1.5 59,-2.0 -2,-0.4 2,-0.4 -0.900 1.8-166.0-115.2 133.9 30.0 32.5 -11.3 52 60 A L E -EF 109 72B 2 20,-3.1 20,-2.6 -2,-0.4 2,-0.4 -0.916 1.2-166.5-115.0 144.1 33.3 30.7 -10.8 53 61 A Q E -E 108 0B 39 55,-2.1 55,-2.3 -2,-0.4 18,-0.2 -0.937 15.6-140.2-134.8 106.0 36.6 32.5 -10.2 54 62 A L E -E 107 0B 2 16,-0.4 15,-2.3 -2,-0.4 2,-0.4 -0.302 12.0-149.0 -66.2 149.2 39.9 30.5 -10.6 55 63 A I E -EG 106 68B 0 51,-2.5 50,-2.2 13,-0.2 51,-0.9 -0.966 16.1-118.6-124.7 135.8 42.7 31.1 -8.2 56 64 A S E -E 104 0B 0 11,-0.8 11,-0.1 -2,-0.4 46,-0.1 -0.491 18.8-172.1 -77.2 142.6 46.4 30.8 -9.0 57 65 A A E S+ 0 0 10 46,-3.2 111,-0.3 -2,-0.2 -1,-0.1 0.556 86.2 35.6-106.2 -16.4 48.6 28.3 -7.2 58 66 A T E S+ 0 0 75 45,-0.5 2,-0.4 1,-0.2 44,-0.1 0.420 109.9 61.3-118.3 -1.4 52.0 29.3 -8.5 59 67 A K E - 0 0 96 44,-0.2 8,-0.6 8,-0.1 -3,-0.2 -0.902 62.2-169.7-137.1 109.9 51.7 33.1 -8.8 60 68 A A E - G 0 66B 49 -2,-0.4 6,-0.2 6,-0.2 5,-0.2 -0.477 14.7-130.1 -92.2 162.6 51.0 35.4 -5.9 61 69 A D - 0 0 87 4,-2.7 3,-0.4 -2,-0.2 -1,-0.2 0.255 49.8 -62.2 -87.5-147.1 50.1 39.1 -5.8 62 70 A A S S+ 0 0 104 1,-0.2 2,-0.9 0, 0.0 -2,-0.1 0.995 126.1 30.6 -66.7 -65.1 51.6 42.0 -3.8 63 71 A N S S- 0 0 140 1,-0.0 2,-1.7 0, 0.0 -1,-0.2 -0.695 122.5 -76.2-103.6 81.0 50.9 40.9 -0.2 64 72 A G S S+ 0 0 33 -2,-0.9 -3,-0.1 -3,-0.4 105,-0.1 -0.463 89.2 116.0 76.0 -77.3 51.0 37.0 -0.1 65 73 A K - 0 0 74 -2,-1.7 -4,-2.7 -5,-0.2 103,-0.2 0.369 65.1-105.0 -30.5 152.7 47.6 35.9 -1.7 66 74 A G E -G 60 0B 1 101,-1.0 2,-0.6 -6,-0.2 -6,-0.2 -0.114 43.8 -94.2 -71.9 179.1 47.0 33.9 -4.8 67 75 A K E - 0 0 60 -8,-0.6 -11,-0.8 -11,-0.1 2,-0.1 -0.866 26.5-137.6-116.0 119.2 45.7 35.6 -8.0 68 76 A L E -G 55 0B 78 -2,-0.6 2,-0.3 -13,-0.2 -13,-0.2 -0.335 7.3-156.2 -67.5 135.5 42.1 35.8 -9.1 69 77 A G - 0 0 8 -15,-2.3 -15,-0.4 1,-0.3 27,-0.3 -0.435 49.1 -79.4-114.2 60.3 41.3 35.1 -12.8 70 78 A K - 0 0 141 -2,-0.3 2,-0.5 -17,-0.1 -16,-0.4 0.398 50.1 -86.9 65.1 155.3 38.0 36.9 -13.5 71 79 A A - 0 0 52 -18,-0.2 2,-0.4 -3,-0.1 -18,-0.2 -0.847 45.1-169.1 -97.5 129.5 34.5 35.8 -12.6 72 80 A T E -F 52 0B 26 -20,-2.6 -20,-3.1 -2,-0.5 2,-0.2 -0.987 11.0-141.6-122.4 132.1 33.0 33.6 -15.3 73 81 A F E -F 51 0B 45 -2,-0.4 -22,-0.2 -22,-0.3 -25,-0.1 -0.591 31.8 -92.2 -91.1 154.0 29.4 32.5 -15.4 74 82 A L - 0 0 8 -24,-1.8 2,-0.3 -29,-0.3 19,-0.1 -0.018 40.0-169.2 -57.8 167.4 28.2 29.1 -16.5 75 83 A E E -C 92 0A 112 17,-1.0 17,-1.1 1,-0.4 -29,-0.1 -0.927 40.4 -12.8-163.5 135.4 27.2 28.2 -20.1 76 84 A G E - 0 0 7 -2,-0.3 16,-1.6 15,-0.2 -1,-0.4 0.624 64.4-104.8 49.6 148.9 25.5 25.3 -21.8 77 85 A I E -C 91 0A 30 14,-0.2 2,-0.8 -3,-0.1 14,-0.3 -0.865 19.4-135.7-104.9 137.5 24.7 21.8 -20.5 78 86 A I E -C 90 0A 42 12,-2.0 12,-0.6 -2,-0.4 -41,-0.2 -0.901 19.5-155.3 -91.4 110.3 26.8 19.0 -21.6 79 87 A T + 0 0 87 -2,-0.8 2,-0.3 1,-0.2 -44,-0.2 0.747 68.5 14.9 -61.3 -27.7 24.0 16.5 -22.3 80 88 A S + 0 0 91 -3,-0.1 -1,-0.2 -45,-0.0 3,-0.1 -0.986 54.1 174.2-156.8 139.4 26.1 13.4 -21.8 81 89 A L > - 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0 0 0 -2,-1.3 4,-3.6 -3,-0.2 5,-0.3 -0.819 40.3-172.6-116.2 90.4 35.5 -16.6 19.3 620 628 A P H >>S+ 0 0 1 0, 0.0 4,-3.1 0, 0.0 5,-0.5 0.880 81.8 48.6 -48.3 -58.6 33.9 -15.2 16.0 621 629 A Y H >5S+ 0 0 2 -260,-1.6 4,-3.0 1,-0.2 5,-0.2 0.967 120.7 37.3 -48.5 -59.7 33.8 -11.5 16.9 622 630 A T H >5S+ 0 0 0 -261,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.907 118.7 47.8 -60.1 -49.0 37.4 -11.5 18.0 623 631 A V H X5S+ 0 0 32 -4,-3.6 4,-0.7 2,-0.2 -1,-0.2 0.914 119.6 38.1 -63.8 -43.2 38.8 -13.9 15.4 624 632 A D H >X5S+ 0 0 0 -4,-3.1 4,-1.5 -5,-0.3 3,-1.0 0.944 115.9 52.0 -72.6 -48.6 37.1 -12.2 12.5 625 633 A G H 3XX S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 3,-1.1 0.901 111.6 49.6 -71.8 -41.9 50.9 7.8 7.1 641 649 A F H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.619 100.2 69.9 -72.1 -7.7 54.5 6.8 6.3 642 650 A L H 34 S+ 0 0 45 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.784 112.8 26.4 -77.7 -25.8 53.7 7.9 2.8 643 651 A Y H << S+ 0 0 28 -3,-1.1 2,-0.6 -4,-0.5 -2,-0.2 0.736 111.1 67.5-109.4 -28.7 53.5 11.5 3.9 644 652 A Y < - 0 0 2 -4,-2.1 -1,-0.1 1,-0.1 3,-0.1 -0.867 52.5-171.3-103.4 117.1 55.7 11.8 7.0 645 653 A K S S- 0 0 189 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.694 72.1 -8.9 -74.9 -22.8 59.5 11.4 6.3 646 654 A S S > S- 0 0 44 1,-0.1 4,-0.8 36,-0.0 -1,-0.1 -0.955 74.9 -93.3-162.9 174.1 60.3 11.4 10.1 647 655 A D H >> S+ 0 0 59 -2,-0.3 4,-1.8 1,-0.2 3,-0.5 0.847 121.7 55.5 -66.8 -38.8 59.0 11.9 13.6 648 656 A D H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 98.9 62.0 -63.6 -32.1 60.1 15.6 13.6 649 657 A T H 34 S+ 0 0 30 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.854 107.1 46.0 -61.4 -32.8 58.1 16.1 10.4 650 658 A L H X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.5 -2,-0.2 0.880 109.4 52.2 -75.7 -43.7 55.0 15.1 12.5 651 659 A R H 3< S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.803 107.9 53.0 -64.4 -30.2 55.9 17.3 15.5 652 660 A E T 3< S+ 0 0 143 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 0.065 79.9 109.8 -94.7 23.0 56.3 20.3 13.2 653 661 A D <> - 0 0 1 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 -0.878 48.4-171.6 -99.4 102.3 52.8 19.8 11.7 654 662 A P H > S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.781 80.7 53.5 -65.9 -29.8 50.8 22.7 13.0 655 663 A E H > S+ 0 0 13 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.949 113.9 38.7 -73.1 -46.6 47.5 21.4 11.7 656 664 A L H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.871 116.6 51.7 -70.4 -39.4 47.7 17.9 13.2 657 665 A Q H X S+ 0 0 52 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 111.6 46.1 -64.7 -39.9 49.2 19.2 16.5 658 666 A A H X S+ 0 0 37 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.780 113.4 52.6 -71.9 -26.8 46.4 21.8 16.9 659 667 A C H X S+ 0 0 10 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.946 112.0 42.3 -72.3 -50.4 43.9 19.1 16.1 660 668 A W H X S+ 0 0 22 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.875 112.3 54.2 -65.7 -39.0 45.2 16.6 18.7 661 669 A K H X S+ 0 0 135 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.958 112.8 42.9 -58.9 -52.3 45.6 19.3 21.4 662 670 A E H X>S+ 0 0 24 -4,-1.5 5,-2.2 1,-0.2 4,-1.9 0.800 111.1 54.6 -64.9 -36.3 42.0 20.4 21.0 663 671 A L H <>S+ 0 0 1 -4,-1.9 5,-2.5 3,-0.2 -1,-0.2 0.917 117.1 37.8 -64.7 -42.7 40.6 16.9 20.8 664 672 A V H <5S+ 0 0 18 -4,-2.2 7,-0.3 3,-0.2 -2,-0.2 0.964 125.7 35.3 -72.7 -55.5 42.3 16.0 24.1 665 673 A E H <5S+ 0 0 95 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.687 138.8 11.2 -74.7 -22.1 41.7 19.3 26.0 666 674 A V T ><5S+ 0 0 55 -4,-1.9 3,-1.9 -5,-0.3 -3,-0.2 0.729 122.4 50.3-120.9 -60.4 38.3 20.1 24.5 667 675 A G T 3 S- 0 0 53 -3,-0.1 4,-1.0 -32,-0.1 3,-0.4 -0.916 73.2-133.6-130.4 151.6 55.8 9.7 16.9 683 691 A R H > S+ 0 0 49 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.820 108.4 55.3 -74.4 -31.9 54.5 8.4 13.5 684 692 A E H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.531 102.4 59.7 -77.4 -8.8 53.3 5.1 14.9 685 693 A E H > S+ 0 0 52 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.834 105.7 45.4 -83.5 -40.4 51.2 7.1 17.4 686 694 A L H X S+ 0 0 5 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.838 112.7 53.5 -69.1 -33.7 49.3 8.8 14.6 687 695 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.961 111.8 43.6 -64.4 -50.8 49.0 5.3 13.0 688 696 A E H X S+ 0 0 56 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.963 114.1 50.1 -59.8 -52.9 47.5 3.9 16.2 689 697 A A H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.846 113.6 45.1 -55.7 -42.1 45.2 6.9 16.8 690 698 A C H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.870 110.5 54.7 -71.9 -35.6 43.8 6.8 13.3 691 699 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.880 108.4 48.4 -65.0 -36.8 43.4 3.0 13.4 692 700 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.901 111.4 50.5 -71.0 -38.1 41.3 3.2 16.6 693 701 A I H X S+ 0 0 8 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.941 114.9 42.3 -63.7 -49.5 39.1 6.0 15.1 694 702 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.5 0.900 113.2 52.8 -65.2 -42.5 38.5 4.0 11.9 695 703 A W H <>S+ 0 0 1 -4,-2.5 5,-3.1 -5,-0.2 6,-0.4 0.952 113.0 45.2 -56.7 -49.8 38.0 0.7 13.8 696 704 A T H <>S+ 0 0 5 -4,-2.5 5,-0.9 1,-0.2 -2,-0.2 0.864 114.5 47.0 -60.6 -46.6 35.4 2.4 16.0 697 705 A A H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.811 130.6 14.0 -70.2 -30.6 33.6 4.2 13.2 698 706 A S T X5S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -3,-0.2 0.822 130.8 26.4-110.1 -72.2 33.4 1.1 10.9 699 707 A A H >5S+ 0 0 0 -5,-0.5 4,-1.7 2,-0.2 -3,-0.2 0.799 121.8 47.7 -68.5 -35.4 34.1 -2.4 12.3 700 708 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 4,-0.2 0.883 103.8 57.4-102.6 -46.8 24.7 -2.6 15.5 706 714 A F T 3< S+ 0 0 1 -4,-2.0 3,-0.1 -5,-0.3 -3,-0.1 0.491 100.2 58.7 -72.4 -4.2 23.7 -4.8 12.5 707 715 A G T 3> S+ 0 0 0 -5,-0.3 4,-1.0 -4,-0.3 5,-0.5 0.078 78.4 101.6-106.6 20.1 22.8 -7.9 14.5 708 716 A Q H <> S+ 0 0 22 -3,-1.4 4,-2.2 3,-0.2 -2,-0.1 0.956 88.9 29.1 -69.7 -52.0 20.2 -6.0 16.5 709 717 A Y H > S+ 0 0 0 53,-0.5 4,-2.0 -4,-0.2 -367,-0.2 0.892 116.2 59.1 -76.2 -42.1 17.0 -7.1 14.8 710 718 A P H 4 S+ 0 0 4 0, 0.0 -368,-2.0 0, 0.0 -1,-0.2 0.814 126.0 19.5 -55.3 -34.1 18.4 -10.6 13.7 711 719 A Y H < S+ 0 0 0 -4,-1.0 3,-0.5 -370,-0.1 -2,-0.2 0.807 137.0 34.8-101.0 -49.8 19.0 -11.5 17.4 712 720 A G H < S+ 0 0 6 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.246 88.2 94.1 -92.7 10.3 16.8 -9.0 19.3 713 721 A G S < S+ 0 0 0 -4,-2.0 2,-0.7 1,-0.1 -1,-0.2 0.602 79.4 67.7 -73.6 -14.1 13.9 -8.9 16.9 714 722 A L S >> S- 0 0 0 -3,-0.5 4,-1.5 -5,-0.1 3,-1.0 -0.947 79.3-155.5-105.9 103.8 12.4 -11.6 19.0 715 723 A I T 34 S+ 0 0 2 -2,-0.7 35,-0.2 1,-0.2 -1,-0.1 0.699 92.1 65.1 -55.0 -18.1 11.7 -9.8 22.3 716 724 A L T 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.914 102.5 44.6 -71.7 -42.7 11.9 -13.2 23.9 717 725 A N T <4 S+ 0 0 12 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 131.0 18.6 -69.8 -42.7 15.6 -13.6 23.1 718 726 A R S < S- 0 0 22 -4,-1.5 -1,-0.2 -7,-0.1 -2,-0.1 -0.648 78.2-173.1-132.7 76.4 16.8 -10.1 24.1 719 727 A P - 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