==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-MAR-12 4E1D . COMPND 2 MOLECULE: VGRG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR E.DURAND,G.AUDOLY,E.DERREZ,S.SPINELLI,M.ORTIZ-LOMBARDIA,E.CA . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 66.9 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 24.2 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 0 2 0 1 0 0 1 0 0 0 1 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 0 119 0, 0.0 34,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.4 48.7 80.4 13.0 2 1 A T - 0 0 23 32,-0.1 32,-0.1 1,-0.1 46,-0.1 -0.587 360.0-113.5 -69.8 125.0 46.2 83.4 12.9 3 2 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.270 30.4-111.9 -59.6 147.6 43.8 82.9 15.8 4 3 A D - 0 0 139 1,-0.1 3,-0.1 -3,-0.0 79,-0.0 -0.460 44.2 -85.9 -74.4 156.1 40.1 82.2 14.8 5 4 A F - 0 0 78 -2,-0.1 -1,-0.1 1,-0.1 78,-0.1 -0.373 47.5-105.5 -59.7 139.1 37.6 85.0 15.6 6 5 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.391 30.5-157.7 -62.0 143.5 36.1 84.8 19.2 7 6 A T + 0 0 58 318,-0.1 319,-2.5 -3,-0.1 2,-0.4 0.759 63.1 67.0 -96.6 -30.5 32.5 83.4 18.8 8 7 A H E +a 326 0A 40 317,-0.2 319,-0.2 319,-0.0 -1,-0.1 -0.803 48.4 168.1-104.1 139.6 30.9 84.6 22.1 9 8 A F E -a 327 0A 20 317,-1.4 319,-1.0 -2,-0.4 4,-0.1 -0.980 38.0-128.1-140.0 142.6 30.0 88.2 23.2 10 9 A P S S- 0 0 69 0, 0.0 318,-0.5 0, 0.0 2,-0.2 0.867 90.7 -8.7 -61.3 -36.5 27.8 89.2 26.2 11 10 A K S S- 0 0 118 1,-0.3 -2,-0.1 316,-0.1 317,-0.1 -0.420 115.1 -15.5-134.0-152.6 25.6 91.5 24.0 12 11 A S - 0 0 12 -2,-0.2 75,-2.2 74,-0.1 76,-0.3 -0.239 63.9-154.0 -59.1 142.0 25.7 92.9 20.4 13 12 A S E -CD 86 167B 10 154,-2.8 154,-2.4 73,-0.3 2,-0.3 -0.810 8.1-155.5-121.6 159.8 29.0 92.6 18.5 14 13 A I E +CD 85 166B 4 71,-2.7 71,-2.0 -2,-0.3 2,-0.3 -0.999 9.0 179.5-141.0 135.2 30.8 94.5 15.7 15 14 A G E - D 0 165B 13 150,-2.3 150,-3.0 -2,-0.3 2,-0.3 -0.956 13.7-152.5-129.7 145.2 33.5 93.5 13.2 16 15 A I E - D 0 164B 9 -2,-0.3 66,-2.3 148,-0.2 2,-0.4 -0.914 7.1-155.4-124.4 152.4 35.1 95.7 10.4 17 16 A E E -ED 81 163B 39 146,-2.4 146,-2.0 -2,-0.3 2,-0.4 -0.987 11.9-174.2-123.9 131.9 36.7 95.1 7.0 18 17 A N E -ED 80 162B 0 62,-2.2 62,-3.0 -2,-0.4 2,-0.5 -0.849 9.6-159.4-135.6 97.5 39.1 97.6 5.6 19 18 A E E -E 79 0B 47 142,-3.1 139,-0.5 -2,-0.4 60,-0.3 -0.653 23.8-134.8 -78.4 121.9 40.5 97.2 2.0 20 19 A L E - D 0 157B 8 58,-2.7 2,-0.4 -2,-0.5 58,-0.3 -0.430 10.1-145.4 -80.6 152.7 43.8 99.2 1.7 21 20 A A E S+ D 0 156B 39 135,-2.0 135,-1.5 -2,-0.1 3,-0.1 -0.941 73.0 37.9-118.7 138.5 44.8 101.5 -1.2 22 21 A G S S+ 0 0 24 -2,-0.4 121,-2.7 1,-0.2 2,-0.3 0.385 106.2 50.6 106.3 -1.2 48.3 102.0 -2.6 23 22 A L E -F 142 0B 5 119,-0.3 55,-0.4 -3,-0.2 2,-0.3 -0.963 56.7-146.7-155.4 171.6 49.7 98.5 -2.4 24 23 A V E -F 141 0B 1 117,-2.5 117,-2.2 -2,-0.3 2,-0.4 -0.912 14.9-134.3-137.0 161.9 49.2 94.7 -3.1 25 24 A V E -FG 140 76B 0 51,-2.9 51,-2.7 -2,-0.3 2,-0.5 -0.969 18.1-158.2-117.1 131.4 50.2 91.4 -1.5 26 25 A A E +FG 139 75B 1 113,-2.3 113,-1.6 -2,-0.4 49,-0.2 -0.969 22.0 159.9-113.3 131.7 51.7 88.7 -3.7 27 26 A M E - G 0 74B 0 47,-2.2 47,-3.0 -2,-0.5 111,-0.2 -0.955 46.8 -76.8-142.1 161.7 51.5 85.1 -2.5 28 27 A P > - 0 0 23 0, 0.0 3,-1.2 0, 0.0 45,-0.2 -0.217 65.9 -85.6 -59.2 151.6 51.8 81.6 -4.1 29 28 A A T 3 S+ 0 0 52 42,-0.3 44,-0.1 1,-0.2 42,-0.0 -0.320 113.5 16.6 -59.4 141.2 48.6 80.5 -5.9 30 29 A N T 3 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.704 89.5 156.5 64.9 28.0 45.9 78.9 -3.7 31 30 A S < - 0 0 19 -3,-1.2 -1,-0.2 1,-0.1 4,-0.1 -0.361 52.7 -88.5 -74.0 160.8 47.5 80.3 -0.5 32 31 A A - 0 0 67 2,-0.1 -1,-0.1 1,-0.1 19,-0.1 -0.331 34.6-120.7 -65.7 152.7 45.4 80.8 2.7 33 32 A Q S S+ 0 0 104 17,-0.1 18,-1.9 -3,-0.1 2,-0.4 0.882 95.0 72.1 -64.6 -40.4 43.6 84.2 2.9 34 33 A K E +H 50 0B 71 16,-0.2 16,-0.2 1,-0.1 -2,-0.1 -0.664 45.2 163.4 -83.0 126.6 45.4 85.1 6.2 35 34 A F E - 0 0 0 14,-2.4 100,-1.9 -2,-0.4 99,-1.2 0.372 67.6 -31.0-119.3 -2.4 49.1 85.9 6.1 36 35 A G E -HI 49 133B 0 13,-1.0 13,-3.1 97,-0.3 -1,-0.3 -0.977 53.7-128.2 171.1-176.6 49.3 87.6 9.5 37 36 A Y E -HI 48 132B 33 95,-2.4 95,-3.0 11,-0.3 2,-0.4 -0.984 12.8-129.3-155.2 158.2 47.7 89.6 12.3 38 37 A V E +HI 47 131B 0 9,-2.6 8,-2.6 -2,-0.3 9,-1.6 -0.955 29.9 176.1-113.9 130.4 48.1 92.7 14.5 39 38 A K E -HI 45 130B 46 91,-2.3 91,-2.7 -2,-0.4 6,-0.2 -0.834 34.2-101.0-125.1 164.6 47.7 92.4 18.3 40 39 A S E > - I 0 129B 5 4,-2.4 3,-1.5 -2,-0.3 89,-0.2 -0.420 39.4-108.2 -77.9 164.6 48.1 94.8 21.2 41 40 A A T 3 S+ 0 0 44 87,-1.5 88,-0.1 1,-0.3 -1,-0.1 0.841 122.3 62.8 -62.0 -31.2 51.3 94.5 23.3 42 41 A Q T 3 S- 0 0 162 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.597 125.4-103.4 -67.2 -17.1 49.1 93.0 26.1 43 42 A G S < S+ 0 0 43 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.338 71.8 143.0 109.5 -2.9 48.3 90.1 23.6 44 43 A D - 0 0 104 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.608 51.6-126.6 -74.5 119.6 44.7 91.0 22.4 45 44 A A E +H 39 0B 26 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.522 32.9 174.4 -68.5 122.6 44.2 90.1 18.7 46 45 A L E - 0 0 3 -8,-2.6 37,-2.5 1,-0.3 2,-0.3 0.861 54.5 -14.4 -98.8 -48.6 43.0 93.3 16.9 47 46 A F E -HJ 38 82B 0 -9,-1.6 -9,-2.6 35,-0.3 -1,-0.3 -0.982 57.1-118.3-158.8 156.3 42.8 92.5 13.1 48 47 A M E -HJ 37 81B 3 33,-3.3 33,-1.9 -2,-0.3 2,-0.7 -0.681 19.6-133.5 -96.4 148.8 43.9 90.0 10.4 49 48 A L E +HJ 36 80B 0 -13,-3.1 -14,-2.4 -2,-0.3 -13,-1.0 -0.925 42.9 170.9-101.8 110.4 46.1 90.8 7.4 50 49 A T E -HJ 34 79B 9 29,-1.6 29,-2.4 -2,-0.7 2,-0.3 -0.903 38.6-119.5-125.5 158.9 44.4 89.1 4.5 51 50 A K E + J 0 78B 13 -18,-1.9 27,-0.2 -2,-0.3 3,-0.1 -0.737 39.0 167.0 -89.7 140.0 44.5 88.9 0.7 52 51 A D E + 0 0 49 25,-2.8 2,-0.5 -2,-0.3 -1,-0.1 0.558 48.2 27.9-117.9 -93.9 41.2 90.2 -0.9 53 52 A M E S- 0 0 102 1,-0.1 24,-1.9 25,-0.0 -1,-0.3 -0.699 76.1-122.4 -85.9 123.2 40.7 91.0 -4.6 54 53 A N E - J 0 76B 82 -2,-0.5 22,-0.3 22,-0.2 3,-0.1 -0.481 26.0-175.4 -66.0 122.2 42.8 89.1 -7.2 55 54 A Q E - 0 0 92 20,-2.8 21,-0.2 1,-0.4 2,-0.1 0.233 51.6 -86.9-104.5 11.7 44.8 91.7 -9.2 56 55 A G E - J 0 75B 27 19,-0.6 19,-3.3 2,-0.0 -1,-0.4 -0.427 67.2 -32.3 107.1 175.3 46.4 89.2 -11.6 57 56 A S E - J 0 74B 74 17,-0.3 2,-0.4 -2,-0.1 17,-0.3 -0.330 63.5-114.4 -66.9 147.2 49.5 87.0 -11.6 58 57 A Y - 0 0 5 15,-3.1 2,-0.5 -31,-0.2 15,-0.2 -0.705 25.4-168.9 -86.7 133.4 52.7 88.3 -9.9 59 58 A Q - 0 0 140 -2,-0.4 12,-0.1 86,-0.3 15,-0.0 -0.988 22.8-131.9-123.7 113.2 55.8 89.1 -11.9 60 59 A R - 0 0 46 -2,-0.5 5,-0.1 1,-0.1 88,-0.1 -0.534 34.0-110.0 -62.6 121.7 58.9 89.7 -9.9 61 60 A P > - 0 0 8 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.380 22.2-127.5 -56.5 132.1 60.5 92.9 -11.3 62 61 A P G > S+ 0 0 110 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.830 109.3 59.5 -51.3 -34.5 63.7 92.0 -13.2 63 62 A S G 3 S+ 0 0 98 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.468 106.8 48.8 -73.1 -2.7 65.7 94.6 -11.2 64 63 A L G < S+ 0 0 53 -3,-2.5 -1,-0.3 -4,-0.0 2,-0.0 0.111 74.5 147.2-123.4 20.0 64.6 92.7 -8.0 65 64 A Q < + 0 0 164 -3,-1.4 0, 0.0 1,-0.1 0, 0.0 -0.348 16.2 172.2 -56.8 125.3 65.6 89.1 -9.1 66 65 A D - 0 0 50 2,-0.3 -1,-0.1 -2,-0.0 3,-0.1 0.207 54.0-102.5-128.7 13.2 66.7 87.4 -5.9 67 66 A G S S+ 0 0 84 1,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.432 83.1 129.0 76.2 0.7 67.2 83.7 -6.9 68 67 A K - 0 0 140 1,-0.0 2,-0.6 2,-0.0 -1,-0.3 -0.571 65.3-111.3 -90.1 152.6 63.8 82.9 -5.2 69 68 A N + 0 0 99 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.756 40.2 161.2 -86.0 114.2 60.9 81.0 -6.8 70 69 A Y > + 0 0 28 -2,-0.6 3,-1.6 3,-0.1 -12,-0.2 -0.019 25.5 153.2-118.2 21.4 57.8 83.3 -7.4 71 70 A Q T 3 S- 0 0 137 1,-0.3 -42,-0.3 -12,-0.1 -12,-0.1 -0.374 71.2 -2.1 -64.0 125.8 56.3 80.8 -9.9 72 71 A N T 3 S+ 0 0 127 1,-0.2 -1,-0.3 -14,-0.2 -43,-0.2 0.454 91.6 156.7 69.6 10.1 52.5 80.9 -10.2 73 72 A W < - 0 0 10 -3,-1.6 -15,-3.1 -15,-0.2 2,-0.3 -0.324 29.3-148.1 -64.0 141.7 52.3 83.7 -7.4 74 73 A Q E -GJ 27 57B 43 -47,-3.0 -47,-2.2 -17,-0.3 2,-0.3 -0.919 5.3-132.4-115.3 144.6 49.2 85.9 -7.6 75 74 A T E +GJ 26 56B 6 -19,-3.3 -20,-2.8 -2,-0.3 -19,-0.6 -0.730 30.0 175.6 -93.9 143.3 48.8 89.6 -6.6 76 75 A H E -GJ 25 54B 14 -51,-2.7 -51,-2.9 -2,-0.3 -22,-0.2 -0.969 33.9-105.9-141.5 158.4 45.9 90.7 -4.4 77 76 A T E - 0 0 14 -24,-1.9 -25,-2.8 -2,-0.3 2,-0.4 -0.497 42.2-116.2 -78.0 153.3 44.6 93.8 -2.6 78 77 A V E - J 0 51B 0 -55,-0.4 -58,-2.7 -58,-0.3 2,-0.4 -0.788 29.1-170.3 -95.0 136.2 45.1 93.8 1.2 79 78 A E E -EJ 19 50B 16 -29,-2.4 -29,-1.6 -2,-0.4 2,-0.6 -0.994 15.3-145.2-128.4 125.4 42.1 93.8 3.5 80 79 A L E -EJ 18 49B 0 -62,-3.0 -62,-2.2 -2,-0.4 2,-0.6 -0.812 17.5-166.7 -90.8 114.8 42.4 94.4 7.2 81 80 A V E -EJ 17 48B 20 -33,-1.9 -33,-3.3 -2,-0.6 -64,-0.2 -0.922 12.9-140.3-109.6 107.4 39.7 92.3 8.9 82 81 A S E - J 0 47B 5 -66,-2.3 -35,-0.3 -2,-0.6 -36,-0.1 -0.175 16.2-115.7 -64.3 154.2 39.1 93.2 12.6 83 82 A Y - 0 0 4 -37,-2.5 -1,-0.1 -38,-0.1 -67,-0.1 -0.784 49.0-100.5 -85.4 131.6 38.5 90.6 15.4 84 83 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 -69,-0.2 -0.217 46.3 179.1 -58.8 151.7 35.0 91.3 16.6 85 84 A C E -C 14 0B 7 -71,-2.0 -71,-2.7 -3,-0.0 2,-0.1 -0.865 40.0 -71.7-140.7 171.4 34.4 93.2 19.8 86 85 A E E > -C 13 0B 62 -2,-0.3 3,-1.3 -73,-0.2 -73,-0.3 -0.450 39.9-129.8 -67.2 139.3 31.4 94.4 21.9 87 86 A M T 3 S+ 0 0 13 -75,-2.2 -74,-0.1 1,-0.2 -1,-0.1 0.801 109.0 44.9 -60.6 -33.4 29.5 97.3 20.2 88 87 A D T 3 S+ 0 0 116 -76,-0.3 2,-1.2 1,-0.1 -1,-0.2 0.269 82.6 108.7 -95.4 7.6 29.6 99.4 23.4 89 88 A D <> + 0 0 56 -3,-1.3 4,-1.8 1,-0.2 5,-0.1 -0.736 44.6 179.9 -88.9 89.9 33.3 98.7 24.1 90 89 A K H > S+ 0 0 179 -2,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.876 77.7 51.7 -56.7 -45.7 34.8 102.1 23.3 91 90 A A H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 111.2 46.0 -60.0 -50.3 38.4 101.1 24.1 92 91 A A H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.832 113.6 49.8 -63.2 -38.0 38.3 97.9 21.8 93 92 A V H X S+ 0 0 14 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.931 114.9 43.4 -65.6 -49.4 36.7 99.9 18.9 94 93 A E H X S+ 0 0 81 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.861 109.9 54.9 -65.8 -42.0 39.3 102.7 19.1 95 94 A T H X S+ 0 0 39 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.877 109.3 49.4 -60.4 -39.4 42.4 100.4 19.6 96 95 A R H X S+ 0 0 30 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.915 113.4 45.7 -64.4 -46.8 41.3 98.6 16.3 97 96 A K H X S+ 0 0 30 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.893 116.2 45.6 -61.9 -46.3 41.0 101.9 14.5 98 97 A Q H X S+ 0 0 73 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.880 112.6 50.6 -66.5 -41.3 44.4 103.2 15.9 99 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.848 110.7 49.8 -64.5 -39.1 46.1 99.9 15.1 100 99 A M H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.884 112.2 47.1 -67.0 -42.6 44.8 100.0 11.5 101 100 A L H X S+ 0 0 56 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.873 111.6 51.4 -67.5 -38.9 46.0 103.6 11.0 102 101 A W H X S+ 0 0 39 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.927 108.3 51.5 -61.9 -48.1 49.5 102.7 12.5 103 102 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.834 105.9 55.0 -59.1 -34.8 49.8 99.7 10.1 104 103 A A H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 51,-0.5 0.898 109.9 46.3 -65.1 -39.5 49.1 102.0 7.1 105 104 A T H X S+ 0 0 83 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.879 113.8 49.0 -68.2 -38.9 51.9 104.3 8.3 106 105 A H H X S+ 0 0 42 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.902 111.1 49.9 -63.6 -43.5 54.2 101.2 8.7 107 106 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.832 105.7 57.0 -62.9 -37.1 53.1 100.0 5.2 108 107 A T H X S+ 0 0 34 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.892 111.9 41.7 -60.7 -44.3 54.0 103.5 3.8 109 108 A T H >X S+ 0 0 69 -4,-1.5 4,-1.9 2,-0.2 3,-0.8 0.896 111.9 57.2 -69.6 -43.2 57.6 103.1 5.1 110 109 A H H 3X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.877 106.7 46.2 -56.1 -46.6 57.7 99.4 4.0 111 110 A I H 3< S+ 0 0 3 -4,-2.4 39,-0.4 1,-0.2 -1,-0.2 0.644 112.7 53.8 -73.3 -14.8 56.9 100.1 0.3 112 111 A D H << S+ 0 0 116 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.861 129.4 10.1 -85.1 -41.4 59.6 103.0 0.4 113 112 A Q H < S+ 0 0 141 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.567 137.4 37.4-115.7 -16.9 62.6 101.0 1.7 114 113 A S S >< S+ 0 0 26 -4,-2.4 3,-1.1 -5,-0.4 26,-0.3 -0.298 74.2 167.1-132.5 45.5 61.4 97.3 1.5 115 114 A N T 3 S+ 0 0 19 1,-0.2 26,-0.2 -4,-0.2 -4,-0.1 -0.441 70.8 14.8 -67.0 136.1 59.4 97.2 -1.7 116 115 A H T 3 S+ 0 0 1 24,-2.1 -1,-0.2 1,-0.3 25,-0.2 0.756 104.6 116.1 67.3 32.3 58.6 93.6 -2.9 117 116 A Q B < S-K 140 0B 89 -3,-1.1 23,-2.3 23,-1.0 -1,-0.3 -0.917 71.2-102.5-124.6 151.3 59.6 92.1 0.5 118 117 A P - 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