==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 23-AUG-12 4GQK . COMPND 2 MOLECULE: VGRG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR V.S.NGUYEN,S.SPINELLI,E.DERREZ,E.DURAND,C CAMBILLAU . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 20.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.3 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 4 1 2 1 0 2 0 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 . 0 1 0 0 0 0 0 0 0 0 0 1 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 0 A A 0 0 120 0, 0.0 134,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 109.6 48.8 80.5 13.1 2 1 A T - 0 0 32 32,-0.1 32,-0.1 1,-0.1 46,-0.0 -0.619 360.0-111.4 -72.7 127.2 46.3 83.5 12.9 3 2 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.299 30.5-118.2 -61.1 141.6 43.8 83.3 15.8 4 3 A D - 0 0 141 1,-0.1 3,-0.1 -3,-0.0 79,-0.0 -0.386 43.4 -84.3 -70.6 159.4 40.2 82.5 14.8 5 4 A F - 0 0 79 1,-0.1 -1,-0.1 -2,-0.1 78,-0.0 -0.425 45.8-106.1 -63.6 142.5 37.6 85.2 15.6 6 5 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.403 30.2-158.8 -62.5 143.6 36.1 85.1 19.1 7 6 A T + 0 0 59 318,-0.1 319,-2.8 1,-0.1 2,-0.4 0.698 62.5 70.2 -98.8 -25.9 32.6 83.7 18.7 8 7 A H E +a 326 0A 25 317,-0.2 319,-0.2 319,-0.0 -1,-0.1 -0.842 46.5 165.7-107.8 134.4 31.0 85.0 22.0 9 8 A F E -a 327 0A 20 317,-1.5 319,-0.8 -2,-0.4 4,-0.1 -0.981 38.1-130.0-136.0 143.7 30.0 88.5 23.1 10 9 A P S S- 0 0 45 0, 0.0 318,-0.6 0, 0.0 2,-0.2 0.831 90.6 -7.8 -61.6 -33.0 27.7 89.4 26.0 11 10 A K S S- 0 0 108 1,-0.2 -2,-0.1 316,-0.1 156,-0.0 -0.492 114.4 -17.5-138.6-155.7 25.6 91.8 23.8 12 11 A S - 0 0 16 -2,-0.2 75,-2.2 74,-0.1 76,-0.4 -0.282 63.3-155.5 -62.6 139.3 25.7 93.2 20.2 13 12 A S E -CD 86 167B 10 154,-2.1 154,-1.7 73,-0.3 2,-0.3 -0.745 7.5-151.9-117.9 162.4 29.1 93.0 18.5 14 13 A I E -CD 85 166B 6 71,-2.6 71,-1.9 -2,-0.2 2,-0.3 -0.999 9.6-179.6-139.5 136.4 30.9 94.9 15.6 15 14 A G E - D 0 165B 12 150,-2.7 150,-3.1 -2,-0.3 2,-0.3 -0.933 13.4-152.8-127.1 149.9 33.5 93.9 13.1 16 15 A I E - D 0 164B 8 -2,-0.3 66,-2.8 148,-0.2 2,-0.4 -0.960 4.8-159.5-129.1 147.2 35.1 96.2 10.4 17 16 A E E -ED 81 163B 37 146,-2.2 146,-2.1 -2,-0.3 2,-0.3 -0.957 10.1-174.7-124.1 137.4 36.7 95.5 7.0 18 17 A N E -ED 80 162B 0 62,-2.1 62,-3.1 -2,-0.4 2,-0.4 -0.825 11.0-157.2-145.5 99.9 39.0 98.0 5.3 19 18 A E E -E 79 0B 60 142,-2.5 139,-0.6 -2,-0.3 60,-0.3 -0.642 23.2-136.1 -79.5 124.7 40.4 97.6 1.8 20 19 A L E - D 0 157B 8 58,-3.0 2,-0.4 -2,-0.4 58,-0.3 -0.463 9.8-150.8 -84.8 154.1 43.7 99.5 1.3 21 20 A A E S+ D 0 156B 53 135,-1.3 135,-1.5 -2,-0.1 3,-0.1 -0.965 72.2 43.4-121.6 141.9 44.7 101.7 -1.7 22 21 A G S S+ 0 0 24 -2,-0.4 121,-2.7 1,-0.2 2,-0.3 0.263 105.9 44.0 112.1 -8.2 48.3 102.3 -2.8 23 22 A L E -F 142 0B 5 119,-0.3 55,-0.4 -3,-0.1 2,-0.3 -0.952 56.9-145.5-153.3 173.6 49.7 98.8 -2.6 24 23 A V E -F 141 0B 3 117,-2.5 117,-2.2 -2,-0.3 2,-0.4 -0.927 14.8-135.0-138.0 160.7 49.3 95.0 -3.2 25 24 A V E -FG 140 76B 0 51,-2.8 51,-2.8 -2,-0.3 2,-0.4 -0.934 20.2-157.5-111.5 137.2 50.3 91.7 -1.5 26 25 A A E +FG 139 75B 1 113,-2.3 113,-2.0 -2,-0.4 49,-0.2 -0.975 22.8 157.4-118.4 137.3 51.8 89.1 -3.8 27 26 A M E - G 0 74B 0 47,-2.3 47,-2.9 -2,-0.4 31,-0.2 -0.957 46.1 -74.8-148.9 165.5 51.7 85.4 -2.7 28 27 A P > - 0 0 22 0, 0.0 3,-1.0 0, 0.0 45,-0.2 -0.196 64.5 -86.9 -61.1 159.7 51.8 81.8 -4.2 29 28 A A T 3 S+ 0 0 50 42,-0.3 44,-0.1 1,-0.2 42,-0.0 -0.366 112.9 20.0 -67.3 147.6 48.6 80.6 -5.9 30 29 A N T 3 S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.701 90.8 158.6 63.1 25.0 45.9 79.0 -3.7 31 30 A S < - 0 0 17 -3,-1.0 -1,-0.2 1,-0.1 4,-0.1 -0.376 50.5 -90.9 -73.2 155.1 47.5 80.6 -0.6 32 31 A A - 0 0 66 2,-0.1 -1,-0.1 1,-0.1 19,-0.1 -0.370 32.5-122.4 -66.0 146.8 45.4 81.1 2.6 33 32 A Q S S+ 0 0 106 17,-0.1 18,-2.3 -3,-0.1 2,-0.4 0.864 95.5 67.8 -58.4 -42.4 43.5 84.5 2.7 34 33 A K E +H 50 0B 74 16,-0.2 16,-0.2 1,-0.1 -2,-0.1 -0.699 47.3 163.2 -85.9 129.7 45.3 85.5 6.0 35 34 A F E - 0 0 0 14,-2.4 100,-2.2 -2,-0.4 99,-1.4 0.439 67.5 -20.5-121.2 -7.4 49.1 86.2 6.0 36 35 A G E -HI 49 133B 0 13,-1.1 13,-3.3 97,-0.3 -1,-0.4 -0.977 54.4-136.5-179.6-179.7 49.3 88.1 9.3 37 36 A Y E -HI 48 132B 27 95,-2.5 95,-3.0 11,-0.3 2,-0.4 -0.980 13.8-129.3-153.5 159.1 47.7 90.0 12.1 38 37 A V E +HI 47 131B 0 9,-2.6 8,-2.7 -2,-0.3 9,-1.6 -0.943 30.2 176.1-114.5 131.3 48.1 93.1 14.3 39 38 A K E -HI 45 130B 46 91,-2.5 91,-2.8 -2,-0.4 6,-0.3 -0.875 32.7-101.9-127.1 163.6 47.7 92.7 18.1 40 39 A S E > - I 0 129B 6 4,-2.7 3,-1.7 -2,-0.3 89,-0.2 -0.392 39.7-105.7 -78.0 165.7 48.1 95.0 21.1 41 40 A A T 3 S+ 0 0 48 87,-1.3 88,-0.1 1,-0.3 -1,-0.1 0.810 123.8 60.6 -60.3 -29.1 51.3 94.8 23.3 42 41 A Q T 3 S- 0 0 161 86,-0.2 -1,-0.3 2,-0.1 86,-0.0 0.544 125.5-104.6 -74.2 -10.9 49.1 93.1 25.9 43 42 A G < + 0 0 40 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.412 69.7 146.7 100.6 2.7 48.3 90.3 23.3 44 43 A D - 0 0 103 1,-0.1 -4,-2.7 -5,-0.0 2,-0.3 -0.611 50.4-125.2 -75.2 124.0 44.8 91.2 22.2 45 44 A A E +H 39 0B 25 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.557 34.0 173.8 -71.2 123.0 44.2 90.4 18.5 46 45 A L E - 0 0 4 -8,-2.7 37,-2.5 1,-0.3 2,-0.3 0.846 54.9 -15.2-101.5 -50.0 43.0 93.6 16.7 47 46 A F E -HJ 38 82B 0 -9,-1.6 -9,-2.6 35,-0.3 -1,-0.3 -0.992 56.9-118.5-157.2 158.1 42.8 92.9 13.0 48 47 A M E -HJ 37 81B 4 33,-3.3 33,-2.0 -2,-0.3 2,-0.6 -0.696 18.6-134.6 -96.9 149.9 43.9 90.4 10.3 49 48 A L E +HJ 36 80B 0 -13,-3.3 -14,-2.4 -2,-0.3 -13,-1.1 -0.930 41.3 172.4-103.8 112.3 46.1 91.2 7.2 50 49 A T E -HJ 34 79B 10 29,-1.8 29,-2.2 -2,-0.6 2,-0.3 -0.922 38.8-118.7-127.4 156.8 44.4 89.5 4.3 51 50 A K E + J 0 78B 14 -18,-2.3 27,-0.2 -2,-0.3 3,-0.1 -0.658 39.1 169.2 -84.1 145.2 44.5 89.3 0.5 52 51 A D E + 0 0 57 25,-2.6 2,-0.5 1,-0.3 -1,-0.1 0.536 49.1 26.5-120.7 -90.4 41.3 90.6 -1.1 53 52 A M E S- 0 0 112 1,-0.0 24,-1.8 25,-0.0 -1,-0.3 -0.755 75.6-122.8 -89.4 122.7 40.8 91.2 -4.8 54 53 A N E - J 0 76B 79 -2,-0.5 22,-0.3 22,-0.2 3,-0.1 -0.484 27.4-176.7 -64.1 120.7 42.9 89.2 -7.3 55 54 A Q E - 0 0 110 20,-3.4 21,-0.2 1,-0.4 2,-0.2 0.172 50.4 -87.4-107.4 15.3 44.8 91.8 -9.5 56 55 A G E - J 0 75B 29 19,-0.5 19,-3.4 2,-0.0 -1,-0.4 -0.458 67.6 -30.1 106.6-178.8 46.5 89.2 -11.8 57 56 A S E - J 0 74B 72 17,-0.3 2,-0.4 -2,-0.2 17,-0.3 -0.342 61.6-116.3 -73.1 149.7 49.7 87.2 -11.7 58 57 A Y - 0 0 4 15,-3.8 2,-0.5 -31,-0.2 15,-0.2 -0.782 25.3-169.6 -89.7 129.8 52.8 88.5 -9.9 59 58 A Q - 0 0 139 -2,-0.4 12,-0.1 86,-0.3 15,-0.0 -0.979 23.9-129.9-120.1 112.9 55.9 89.2 -12.0 60 59 A R - 0 0 45 -2,-0.5 5,-0.1 10,-0.1 88,-0.1 -0.462 32.8-110.0 -59.7 123.7 59.1 89.9 -9.9 61 60 A P > - 0 0 7 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.408 23.8-128.5 -58.1 129.2 60.6 93.1 -11.3 62 61 A P G > S+ 0 0 108 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.830 107.8 59.4 -49.4 -37.8 63.9 92.1 -13.1 63 62 A S G 3 S+ 0 0 97 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.411 106.5 49.7 -70.5 -1.0 65.9 94.7 -11.2 64 63 A L G < S+ 0 0 52 -3,-2.5 -1,-0.3 -4,-0.0 2,-0.0 0.029 75.0 146.6-126.3 21.6 64.9 92.9 -7.9 65 64 A Q < + 0 0 165 -3,-1.5 0, 0.0 1,-0.1 0, 0.0 -0.376 15.5 170.3 -58.9 133.8 65.8 89.3 -9.0 66 65 A D - 0 0 50 2,-0.2 -1,-0.1 -2,-0.0 3,-0.1 0.201 55.8-100.5-137.5 12.0 67.0 87.5 -5.8 67 66 A G S S+ 0 0 83 1,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.503 82.4 131.7 75.0 6.7 67.3 83.8 -6.8 68 67 A K - 0 0 139 1,-0.0 2,-0.6 2,-0.0 -1,-0.3 -0.638 63.6-111.6 -94.4 149.0 63.9 83.1 -5.2 69 68 A N + 0 0 98 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.727 39.7 162.1 -82.4 114.1 61.0 81.2 -6.7 70 69 A Y > + 0 0 29 -2,-0.6 3,-1.1 3,-0.1 2,-0.2 -0.141 25.2 152.5-118.7 29.8 57.9 83.5 -7.4 71 70 A Q T 3 S- 0 0 134 1,-0.2 -42,-0.3 -12,-0.1 -12,-0.1 -0.501 71.2 -2.1 -72.7 128.1 56.3 80.9 -9.9 72 71 A N T 3 S+ 0 0 125 -2,-0.2 -1,-0.2 1,-0.2 -43,-0.1 0.454 91.8 158.7 69.8 10.5 52.5 81.1 -10.2 73 72 A W < - 0 0 11 -3,-1.1 -15,-3.8 -15,-0.2 2,-0.3 -0.360 28.4-147.1 -64.7 134.5 52.4 83.9 -7.5 74 73 A Q E -GJ 27 57B 42 -47,-2.9 -47,-2.3 -17,-0.3 2,-0.4 -0.850 4.4-133.8-109.7 145.8 49.3 86.0 -7.6 75 74 A T E +GJ 26 56B 7 -19,-3.4 -20,-3.4 -2,-0.3 -19,-0.5 -0.783 30.3 172.4 -96.9 135.7 48.9 89.8 -6.8 76 75 A H E -GJ 25 54B 15 -51,-2.8 -51,-2.8 -2,-0.4 -22,-0.2 -0.974 34.0-108.7-140.9 156.0 46.0 90.9 -4.6 77 76 A T E - 0 0 15 -24,-1.8 -25,-2.6 -2,-0.3 2,-0.4 -0.415 41.6-113.2 -75.5 160.0 44.7 94.1 -2.9 78 77 A V E - J 0 51B 0 -55,-0.4 -58,-3.0 -58,-0.3 2,-0.4 -0.804 28.8-170.3-101.0 138.1 45.1 94.2 1.0 79 78 A E E -EJ 19 50B 20 -29,-2.2 -29,-1.8 -2,-0.4 2,-0.6 -0.999 14.7-145.4-129.4 127.9 42.1 94.2 3.3 80 79 A L E -EJ 18 49B 0 -62,-3.1 -62,-2.1 -2,-0.4 2,-0.5 -0.851 18.5-169.6 -95.4 116.6 42.3 94.8 7.0 81 80 A V E -EJ 17 48B 20 -33,-2.0 -33,-3.3 -2,-0.6 -64,-0.2 -0.945 13.4-138.7-114.1 109.4 39.7 92.7 8.8 82 81 A S E - J 0 47B 4 -66,-2.8 -35,-0.3 -2,-0.5 -36,-0.1 -0.215 16.8-116.5 -65.1 155.8 39.1 93.5 12.5 83 82 A Y - 0 0 4 -37,-2.5 -1,-0.1 1,-0.1 -69,-0.1 -0.767 51.4-100.4 -84.4 130.3 38.6 90.9 15.2 84 83 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -69,-0.2 -0.174 46.3-178.1 -57.2 153.1 35.0 91.6 16.5 85 84 A C E -C 14 0B 8 -71,-1.9 -71,-2.6 -3,-0.1 2,-0.2 -0.865 40.2 -72.6-140.0 172.2 34.4 93.5 19.7 86 85 A E E > -C 13 0B 61 -2,-0.3 3,-1.6 -73,-0.2 -73,-0.3 -0.563 40.5-132.5 -70.6 131.8 31.5 94.7 21.8 87 86 A M T 3 S+ 0 0 17 -75,-2.2 -1,-0.1 1,-0.3 -74,-0.1 0.791 107.6 46.5 -53.7 -36.1 29.7 97.6 19.9 88 87 A D T 3 S+ 0 0 99 -76,-0.4 2,-1.2 1,-0.1 -1,-0.3 0.296 83.3 105.3 -93.0 7.5 29.6 99.7 23.2 89 88 A D <> - 0 0 58 -3,-1.6 4,-1.7 1,-0.2 5,-0.2 -0.759 47.3-179.8 -89.6 90.1 33.3 99.0 24.0 90 89 A K H > S+ 0 0 181 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.864 77.1 52.7 -59.3 -43.6 34.7 102.4 23.1 91 90 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 110.5 47.2 -60.7 -44.2 38.4 101.5 23.9 92 91 A A H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.854 113.3 48.3 -66.9 -38.8 38.3 98.3 21.7 93 92 A V H X S+ 0 0 12 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.901 114.3 47.1 -66.1 -45.3 36.7 100.2 18.8 94 93 A E H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.871 109.0 52.1 -67.7 -41.4 39.3 103.0 19.1 95 94 A T H X S+ 0 0 38 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.869 109.1 51.5 -64.5 -39.8 42.4 100.7 19.4 96 95 A R H X S+ 0 0 27 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.945 112.5 45.8 -61.1 -48.6 41.3 98.9 16.2 97 96 A K H X S+ 0 0 9 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.904 116.9 43.9 -60.2 -47.5 41.0 102.3 14.3 98 97 A Q H X S+ 0 0 71 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.848 112.6 52.4 -67.5 -38.9 44.4 103.6 15.6 99 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.882 110.8 47.7 -66.6 -37.8 46.1 100.2 15.0 100 99 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.898 112.7 48.8 -68.3 -40.5 44.8 100.3 11.3 101 100 A L H X S+ 0 0 54 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.876 111.2 49.8 -67.2 -38.1 46.0 103.9 10.9 102 101 A W H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 109.4 51.5 -65.5 -45.7 49.4 103.0 12.4 103 102 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.879 106.1 54.9 -60.1 -36.8 49.8 100.0 10.0 104 103 A A H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 51,-0.5 0.916 109.6 46.9 -60.2 -44.3 49.0 102.3 7.0 105 104 A T H X S+ 0 0 84 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.862 112.7 49.7 -65.5 -38.0 51.9 104.6 8.1 106 105 A H H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.932 110.4 49.5 -64.7 -46.7 54.1 101.5 8.5 107 106 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.878 106.5 57.3 -57.3 -41.4 53.1 100.3 4.9 108 107 A T H < S+ 0 0 33 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.856 112.4 40.7 -57.0 -42.0 53.9 103.8 3.6 109 108 A T H >X S+ 0 0 67 -4,-1.3 4,-2.3 -3,-0.3 3,-0.6 0.898 112.5 56.4 -74.2 -42.0 57.5 103.4 5.0 110 109 A H H 3X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.871 106.8 47.1 -59.0 -44.1 57.7 99.7 3.8 111 110 A I H 3< S+ 0 0 3 -4,-2.7 39,-0.4 1,-0.2 4,-0.3 0.682 113.5 52.8 -73.9 -15.5 57.0 100.5 0.1 112 111 A D H <4 S+ 0 0 120 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.910 129.7 10.3 -83.3 -46.7 59.5 103.3 0.3 113 112 A Q H < S+ 0 0 143 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.645 137.8 34.8-109.1 -21.7 62.5 101.3 1.7 114 113 A S S >< S+ 0 0 26 -4,-2.5 3,-1.4 -5,-0.4 26,-0.3 -0.225 75.4 166.9-126.9 39.4 61.5 97.6 1.5 115 114 A N T 3 S+ 0 0 18 -4,-0.3 26,-0.2 1,-0.2 -4,-0.1 -0.388 71.0 16.1 -60.6 133.8 59.4 97.6 -1.7 116 115 A H T 3 S+ 0 0 0 24,-2.2 -1,-0.2 1,-0.3 25,-0.2 0.655 104.9 113.0 72.9 23.9 58.8 94.0 -3.0 117 116 A Q B < S-K 140 0B 90 -3,-1.4 23,-2.0 23,-0.9 -1,-0.3 -0.881 73.0 -99.0-119.1 153.8 59.7 92.4 0.4 118 117 A P - 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0 0 166 -2,-0.3 2,-0.4 3,-0.0 -3,-0.1 -0.816 30.5-165.9 -92.1 93.2 -1.5 77.6 21.3 207 206 A L > - 0 0 25 -2,-1.1 3,-0.5 -5,-0.2 -5,-0.0 -0.737 25.8-141.0 -91.7 134.8 2.1 78.9 20.8 208 207 A D T 3 S+ 0 0 119 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.898 101.3 2.9 -55.5 -43.4 4.9 78.4 23.3 209 208 A D T 3> S+ 0 0 82 1,-0.1 4,-2.3 71,-0.1 -1,-0.3 -0.778 71.8 179.5-147.6 89.9 6.2 81.9 22.6 210 209 A K H <> S+ 0 0 142 -3,-0.5 4,-1.9 -2,-0.3 -1,-0.1 0.775 81.4 51.4 -65.7 -30.3 4.0 83.7 20.1 211 210 A E H > S+ 0 0 139 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.831 112.6 45.3 -76.9 -35.7 6.0 87.0 20.0 212 211 A L H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 112.6 53.0 -70.1 -44.8 9.3 85.2 19.3 213 212 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 109.5 48.1 -56.0 -46.8 7.4 83.1 16.7 214 213 A A H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.848 111.7 50.3 -64.0 -37.7 6.2 86.3 15.0 215 214 A N H X S+ 0 0 17 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.901 112.8 45.3 -65.9 -45.6 9.7 87.8 15.0 216 215 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.915 112.5 52.8 -65.4 -42.6 11.3 84.7 13.5 217 216 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.911 111.1 44.9 -57.0 -52.1 8.5 84.5 10.8 218 217 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -27,-0.4 0.869 115.6 48.4 -62.2 -40.8 8.9 88.2 9.7 219 218 A Y H X S+ 0 0 1 -4,-1.9 4,-1.9 -46,-0.2 -2,-0.2 0.960 118.2 38.1 -63.8 -56.8 12.8 87.7 9.6 220 219 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.923 117.2 50.4 -63.2 -47.5 12.7 84.5 7.6 221 220 A T H X S+ 0 0 1 -4,-3.1 4,-2.9 -5,-0.3 5,-0.2 0.917 110.3 50.9 -56.9 -45.7 9.8 85.5 5.3 222 221 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.912 113.6 44.6 -57.9 -44.6 11.6 88.8 4.6 223 222 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.928 115.3 47.1 -65.1 -49.4 14.8 86.9 3.6 224 223 A Y H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.879 114.0 47.4 -59.3 -47.2 13.0 84.3 1.5 225 224 A L H X S+ 0 0 6 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.910 113.3 48.1 -64.6 -42.2 10.9 86.9 -0.3 226 225 A K H X S+ 0 0 26 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.876 108.6 54.1 -65.0 -40.5 14.0 89.1 -1.0 227 226 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.929 111.4 45.9 -58.5 -44.6 15.9 86.0 -2.3 228 227 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.882 112.0 51.4 -63.6 -43.3 13.0 85.4 -4.8 229 228 A E H X S+ 0 0 90 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 114.5 43.0 -59.5 -48.4 12.9 89.1 -5.7 230 229 A L H X S+ 0 0 3 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.875 111.0 54.3 -67.2 -39.6 16.7 89.0 -6.4 231 230 A A H X>S+ 0 0 0 -4,-2.8 5,-1.7 2,-0.2 4,-1.1 0.885 114.7 41.6 -61.6 -39.1 16.5 85.6 -8.2 232 231 A K H <5S+ 0 0 100 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.920 117.5 47.8 -71.8 -47.2 13.9 87.1 -10.6 233 232 A K H <5S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.899 125.9 26.5 -59.9 -48.6 15.7 90.5 -10.9 234 233 A F H <5S- 0 0 22 -4,-3.1 17,-3.1 -5,-0.1 18,-0.3 0.465 105.2-116.4 -99.4 -3.0 19.2 89.0 -11.6 235 234 A G T <5 - 0 0 1 -4,-1.1 2,-0.4 -5,-0.3 17,-0.3 0.976 48.1-179.8 63.8 55.6 18.2 85.7 -13.2 236 235 A I < - 0 0 3 -5,-1.7 2,-0.7 -6,-0.1 -1,-0.2 -0.791 30.7-128.4 -94.5 132.9 19.8 83.5 -10.4 237 236 A Y - 0 0 131 -2,-0.4 2,-0.5 5,-0.1 18,-0.2 -0.723 31.5-175.0 -78.4 110.7 19.7 79.7 -10.5 238 237 A I B > -O 241 0C 3 3,-0.8 3,-3.2 -2,-0.7 68,-0.1 -0.978 56.1 -52.2-112.8 120.0 18.3 78.8 -7.1 239 238 A N T 3 S- 0 0 71 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.323 124.7 -19.7 51.9-118.2 18.2 75.0 -6.3 240 239 A E T 3 S+ 0 0 153 62,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.324 107.6 120.6 -98.2 5.3 16.3 73.5 -9.3 241 240 A W B < -O 238 0C 1 -3,-3.2 -3,-0.8 62,-0.1 3,-0.1 -0.579 47.8-159.2 -77.1 127.3 14.7 76.9 -10.3 242 241 A D > - 0 0 58 -2,-0.4 3,-1.2 -5,-0.2 4,-0.4 -0.930 10.2-159.4-107.9 110.7 15.6 78.0 -13.9 243 242 A P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-1.4 0.840 93.7 61.4 -58.9 -31.8 15.2 81.8 -14.6 244 243 A M G > 5S+ 0 0 100 1,-0.3 3,-1.8 3,-0.2 5,-0.1 0.790 91.1 66.7 -65.2 -26.2 15.1 81.0 -18.3 245 244 A S G < 5S+ 0 0 67 -3,-1.2 -1,-0.3 1,-0.3 -4,-0.0 0.719 106.7 42.5 -65.6 -20.1 11.9 78.9 -17.7 246 245 A E G < 5S- 0 0 53 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.058 125.2-104.2-111.7 20.7 10.2 82.2 -16.8 247 246 A Q T < 5S+ 0 0 166 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.754 74.5 144.0 59.9 32.2 11.9 84.2 -19.8 248 247 A I < - 0 0 29 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.889 45.7-139.2-102.1 124.0 14.4 85.9 -17.4 249 248 A T - 0 0 103 -2,-0.5 2,-0.1 -3,-0.1 0, 0.0 -0.733 25.3-113.8 -82.1 125.3 17.9 86.4 -18.8 250 249 A P + 0 0 58 0, 0.0 -15,-0.3 0, 0.0 -14,-0.1 -0.406 41.1 168.6 -60.4 123.6 20.7 85.6 -16.2 251 250 A N + 0 0 71 -17,-3.1 2,-0.3 -2,-0.1 -16,-0.2 -0.081 59.7 48.0-128.5 31.3 22.5 88.9 -15.4 252 251 A A S S- 0 0 16 -17,-0.3 3,-0.1 -18,-0.3 -1,-0.0 -0.934 77.2-123.4-162.7 155.1 24.6 87.8 -12.4 253 252 A N S S- 0 0 162 -2,-0.3 2,-0.3 1,-0.2 -16,-0.1 0.612 75.8 -68.2 -82.0 -12.4 26.8 84.8 -11.5 254 253 A G S > S- 0 0 15 1,-0.1 3,-1.1 -18,-0.1 -1,-0.2 -0.957 70.7 -46.4 154.8-167.2 24.8 83.8 -8.5 255 254 A L T 3 S+ 0 0 19 -2,-0.3 -1,-0.1 1,-0.2 -17,-0.0 0.756 130.0 54.6 -63.8 -30.7 23.8 84.8 -4.9 256 255 A T T 3 S+ 0 0 76 4,-0.1 -1,-0.2 -3,-0.1 62,-0.1 0.402 76.2 124.4 -85.4 -3.2 27.5 85.7 -4.1 257 256 A D S X> S- 0 0 20 -3,-1.1 4,-2.3 1,-0.1 3,-1.2 -0.414 70.9-124.7 -59.9 129.0 27.9 88.1 -7.0 258 257 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.824 110.4 52.1 -47.5 -37.2 29.0 91.6 -5.6 259 258 A K H 3> S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -2,-0.0 0.808 109.8 47.7 -70.3 -31.4 26.0 93.3 -7.3 260 259 A V H <> S+ 0 0 0 -3,-1.2 4,-0.8 -6,-0.2 -1,-0.2 0.918 113.2 49.2 -71.4 -45.7 23.5 90.9 -5.7 261 260 A K H >X S+ 0 0 50 -4,-2.3 3,-0.9 1,-0.2 4,-0.7 0.900 110.9 50.3 -58.9 -44.3 25.2 91.3 -2.3 262 261 A N H >< S+ 0 0 82 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.844 101.3 62.6 -63.8 -34.9 25.0 95.2 -2.8 263 262 A A H 3< S+ 0 0 28 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 98.1 56.7 -63.8 -23.0 21.3 94.9 -3.6 264 263 A W H << S- 0 0 2 -3,-0.9 2,-2.4 -4,-0.8 -75,-0.4 0.826 82.2-171.6 -71.7 -34.2 20.7 93.5 -0.0 265 264 A E S << S+ 0 0 112 -3,-0.8 77,-2.1 -4,-0.7 2,-0.7 -0.388 81.4 43.8 71.1 -58.5 22.4 96.7 1.4 266 265 A I E S-N 341 0B 13 -2,-2.4 75,-0.2 75,-0.2 -77,-0.1 -0.965 95.4-154.4-111.6 96.4 22.3 95.2 4.9 267 266 A L E -N 340 0B 0 73,-3.2 73,-2.9 -2,-0.7 2,-0.1 -0.748 11.2-129.7 -82.1 112.7 23.5 91.6 3.9 268 267 A P E -N 339 0B 2 0, 0.0 71,-0.3 0, 0.0 50,-0.2 -0.410 23.6-175.7 -60.0 129.4 22.5 88.7 6.3 269 268 A R + 0 0 46 69,-3.5 53,-2.6 53,-0.1 2,-0.3 0.414 55.4 82.1-106.7 -1.7 25.7 86.8 7.0 270 269 A T S S- 0 0 2 68,-0.7 47,-0.2 51,-0.3 53,-0.1 -0.859 90.6-101.1-112.0 140.6 24.2 83.9 9.1 271 270 A K > - 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