==== 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 21-FEB-12 4DTD . 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 . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 66.4 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 . 73 20.4 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 . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 24.1 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 1 0 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 . 4 1 3 2 2 1 1 1 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 -2 A T 0 0 64 0, 0.0 2,-0.3 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0 93.2 32.3 90.5 -1.7 2 -1 A K - 0 0 25 17,-0.0 2,-0.5 0, 0.0 52,-0.1 -0.911 360.0-122.4-134.7 161.1 34.3 89.0 1.2 3 0 A A - 0 0 52 -2,-0.3 3,-0.1 51,-0.0 318,-0.0 -0.832 34.9-166.5 -96.0 124.4 35.1 86.1 3.6 4 1 A T - 0 0 17 -2,-0.5 15,-0.0 1,-0.2 79,-0.0 -0.543 40.4 -51.8-105.9 170.0 34.8 87.1 7.4 5 2 A P - 0 0 19 0, 0.0 -1,-0.2 0, 0.0 79,-0.0 -0.200 45.5-175.5 -52.6 132.2 36.0 85.2 10.6 6 3 A D + 0 0 100 318,-0.1 319,-0.2 -3,-0.1 320,-0.2 0.569 46.4 104.1-103.5 -18.4 34.7 81.6 10.8 7 4 A F S S- 0 0 69 1,-0.1 319,-0.1 317,-0.1 2,-0.1 -0.257 84.4 -84.1 -65.4 155.0 35.9 80.5 14.3 8 5 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 319,-0.2 -0.405 53.7-179.8 -68.1 134.4 33.4 80.2 17.3 9 6 A T - 0 0 29 317,-0.5 319,-2.0 -2,-0.1 2,-0.3 -0.885 14.3-164.7-131.0 159.7 32.8 83.5 19.2 10 7 A H E +a 328 0A 52 -2,-0.3 319,-0.2 317,-0.2 3,-0.1 -0.975 11.0 167.0-149.2 135.5 30.7 84.7 22.2 11 8 A F E -a 329 0A 35 317,-1.2 319,-1.2 -2,-0.3 4,-0.1 -0.973 42.1-114.3-143.3 153.4 29.6 88.2 23.4 12 9 A P S S- 0 0 91 0, 0.0 318,-0.9 0, 0.0 -1,-0.1 0.919 96.0 -21.7 -58.2 -48.7 27.0 89.3 26.0 13 10 A K S S+ 0 0 77 1,-0.3 158,-0.6 316,-0.2 2,-0.3 0.690 119.5 2.8-127.7 -57.5 24.6 91.1 23.6 14 11 A S E -C 170 0B 1 156,-0.2 75,-1.7 324,-0.1 2,-0.4 -1.000 52.2-149.6-145.3 141.5 25.9 92.3 20.2 15 12 A S E -CD 169 88B 9 154,-2.2 154,-3.0 -2,-0.3 2,-0.4 -0.877 2.9-157.8-112.3 144.4 29.2 92.1 18.1 16 13 A I E -CD 168 87B 4 71,-2.7 71,-1.6 -2,-0.4 2,-0.4 -0.980 8.9-177.7-120.8 127.5 30.7 94.5 15.5 17 14 A G E -C 167 0B 11 150,-2.9 150,-2.6 -2,-0.4 2,-0.2 -0.993 11.3-158.7-125.0 119.1 33.3 93.4 12.9 18 15 A I E -C 166 0B 8 -2,-0.4 66,-2.7 148,-0.2 2,-0.3 -0.626 4.6-162.9-101.2 159.3 34.8 95.9 10.4 19 16 A E E -CE 165 83B 1 146,-2.2 146,-1.8 64,-0.2 2,-0.4 -0.998 6.5-178.4-141.4 133.2 36.5 95.5 7.0 20 17 A N E -CE 164 82B 0 62,-2.4 62,-2.4 -2,-0.3 2,-0.3 -0.873 14.0-155.5-141.3 107.8 38.7 97.8 4.9 21 18 A E E - E 0 81B 41 142,-2.4 139,-0.5 -2,-0.4 142,-0.3 -0.639 29.1-135.6 -75.0 130.3 40.1 97.0 1.5 22 19 A L - 0 0 9 58,-3.2 2,-0.4 -2,-0.3 58,-0.3 -0.558 11.3-148.9 -91.3 158.1 43.3 99.1 1.0 23 20 A A B S+O 158 0C 47 135,-0.9 135,-0.8 -2,-0.2 3,-0.1 -0.949 72.9 46.1-124.2 146.0 44.5 101.1 -2.0 24 21 A G S S+ 0 0 24 -2,-0.4 121,-2.5 1,-0.2 2,-0.3 0.293 106.0 46.9 108.0 -7.0 48.1 101.8 -2.9 25 22 A L E -F 144 0B 5 119,-0.3 55,-0.5 -3,-0.1 2,-0.3 -0.980 56.7-149.7-158.2 167.2 49.4 98.3 -2.6 26 23 A V E -F 143 0B 3 117,-2.5 117,-2.4 -2,-0.3 2,-0.4 -0.953 14.9-135.8-134.1 156.8 49.0 94.6 -3.3 27 24 A V E -FG 142 78B 0 51,-2.5 51,-2.7 -2,-0.3 2,-0.4 -0.933 19.2-156.9-108.4 132.5 50.0 91.3 -1.6 28 25 A A E +FG 141 77B 1 113,-2.7 113,-1.8 -2,-0.4 49,-0.2 -0.926 22.7 160.7-109.7 138.7 51.5 88.6 -3.9 29 26 A X E - G 0 76B 0 47,-2.2 47,-2.7 -2,-0.4 111,-0.2 -0.972 46.7 -77.8-147.3 161.5 51.3 85.0 -2.7 30 27 A P E > - G 0 75B 23 0, 0.0 3,-1.2 0, 0.0 45,-0.2 -0.286 65.6 -88.4 -61.3 151.7 51.5 81.5 -4.2 31 28 A A T 3 S+ 0 0 48 43,-0.8 44,-0.1 1,-0.2 42,-0.0 -0.290 112.9 21.2 -60.1 146.3 48.2 80.4 -6.0 32 29 A N T 3 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.658 88.0 153.9 65.6 23.2 45.6 78.8 -3.8 33 30 A S < - 0 0 23 -3,-1.2 -1,-0.2 1,-0.1 4,-0.1 -0.427 54.0 -93.0 -73.4 155.0 47.2 80.3 -0.6 34 31 A A - 0 0 67 2,-0.1 -1,-0.1 -2,-0.1 19,-0.1 -0.253 34.8-116.2 -65.0 154.3 44.9 80.8 2.5 35 32 A Q S S+ 0 0 64 17,-0.1 18,-2.2 -3,-0.1 2,-0.4 0.892 95.9 73.3 -61.4 -43.3 43.3 84.3 2.7 36 33 A K E +H 52 0B 58 16,-0.2 16,-0.2 1,-0.1 -2,-0.1 -0.626 44.5 164.2 -80.3 124.1 45.1 85.2 5.9 37 34 A F E - 0 0 0 14,-2.1 100,-2.3 -2,-0.4 99,-1.1 0.506 69.3 -24.9-113.1 -9.9 48.8 86.0 5.8 38 35 A G E -HI 51 135B 0 13,-1.2 13,-3.1 97,-0.3 -1,-0.4 -0.977 54.8-135.9 179.4 177.9 49.0 87.7 9.2 39 36 A Y E -HI 50 134B 55 95,-2.4 95,-3.2 11,-0.3 2,-0.4 -0.962 14.6-126.8-147.1 166.7 47.3 89.6 12.0 40 37 A V E +HI 49 133B 0 9,-2.6 8,-3.0 -2,-0.3 9,-1.3 -0.954 27.6 179.6-119.7 133.1 47.8 92.6 14.3 41 38 A K E -HI 47 132B 51 91,-2.7 91,-2.8 -2,-0.4 6,-0.2 -0.851 31.6-105.0-124.8 164.7 47.4 92.3 18.1 42 39 A S E > - I 0 131B 4 4,-2.6 3,-1.9 -2,-0.3 89,-0.2 -0.491 39.9-107.3 -79.7 162.4 47.8 94.8 21.0 43 40 A A T 3 S+ 0 0 49 87,-2.1 88,-0.1 1,-0.3 -1,-0.1 0.787 121.9 62.0 -60.3 -25.9 51.0 94.4 23.1 44 41 A Q T 3 S- 0 0 156 86,-0.3 -1,-0.3 2,-0.1 87,-0.1 0.544 125.0-101.3 -77.4 -10.5 48.7 92.9 25.9 45 42 A G S < S+ 0 0 46 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.263 72.8 142.5 108.4 -9.4 47.8 90.0 23.5 46 43 A D - 0 0 101 1,-0.1 -4,-2.6 -5,-0.1 2,-0.3 -0.531 51.0-129.5 -68.0 120.6 44.3 91.1 22.2 47 44 A A E +H 41 0B 38 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.598 30.6 177.4 -73.0 123.8 43.9 90.1 18.5 48 45 A L E - 0 0 3 -8,-3.0 37,-2.8 1,-0.4 2,-0.3 0.882 52.2 -22.1 -98.1 -53.0 42.7 93.2 16.6 49 46 A F E -HJ 40 84B 0 -9,-1.3 -9,-2.6 35,-0.3 -1,-0.4 -0.984 56.0-116.8-156.9 160.5 42.4 92.4 12.9 50 47 A X E -HJ 39 83B 23 33,-3.3 33,-2.4 -2,-0.3 2,-0.5 -0.777 17.9-133.8-100.3 153.0 43.6 90.0 10.2 51 48 A L E +HJ 38 82B 0 -13,-3.1 -14,-2.1 -2,-0.3 -13,-1.2 -0.909 40.4 171.9-101.6 118.2 45.7 90.9 7.1 52 49 A T E -HJ 36 81B 4 29,-2.2 29,-2.6 -2,-0.5 2,-0.3 -0.935 38.2-113.1-129.9 159.5 44.1 89.1 4.1 53 50 A K E + J 0 80B 23 -18,-2.2 27,-0.2 -2,-0.3 3,-0.1 -0.657 39.6 171.4 -84.6 144.1 44.2 88.9 0.4 54 51 A D E + 0 0 26 25,-2.9 2,-0.4 1,-0.3 -1,-0.1 0.508 50.2 22.8-117.0 -94.6 41.1 90.3 -1.2 55 52 A X E S- 0 0 110 1,-0.1 24,-1.9 2,-0.0 -1,-0.3 -0.688 75.5-121.7 -86.5 127.4 40.6 90.9 -5.0 56 53 A N E - J 0 78B 75 -2,-0.4 22,-0.3 22,-0.2 3,-0.1 -0.475 25.3-173.3 -67.0 126.0 42.8 88.9 -7.4 57 54 A Q E - 0 0 100 20,-3.4 21,-0.2 1,-0.5 2,-0.2 0.292 51.1 -86.0-107.1 10.1 44.7 91.5 -9.5 58 55 A G E - J 0 77B 29 19,-0.6 19,-3.3 2,-0.0 -1,-0.5 -0.474 68.9 -32.0 109.2 177.6 46.3 89.0 -11.9 59 56 A S E - J 0 76B 74 17,-0.3 2,-0.5 -2,-0.2 17,-0.3 -0.257 64.5-111.9 -67.7 149.8 49.5 86.8 -11.8 60 57 A Y - 0 0 5 15,-3.4 2,-0.6 -31,-0.2 15,-0.3 -0.764 26.6-169.5 -87.8 130.6 52.6 88.1 -10.1 61 58 A Q - 0 0 146 -2,-0.5 12,-0.1 86,-0.3 11,-0.1 -0.954 21.8-134.7-121.7 107.3 55.6 89.0 -12.1 62 59 A R - 0 0 48 -2,-0.6 5,-0.1 10,-0.2 88,-0.1 -0.441 32.1-107.6 -58.0 123.3 58.7 89.6 -10.0 63 60 A P > - 0 0 6 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.350 23.7-129.5 -56.7 130.7 60.4 92.8 -11.3 64 61 A P G > S+ 0 0 105 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.848 107.5 59.5 -51.5 -34.7 63.6 91.7 -13.2 65 62 A S G 3 S+ 0 0 99 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.420 104.8 51.6 -74.4 0.2 65.7 94.3 -11.2 66 63 A L G < S+ 0 0 52 -3,-2.5 -1,-0.3 -4,-0.0 2,-0.1 -0.015 74.3 147.2-125.0 24.6 64.6 92.5 -7.9 67 64 A Q < + 0 0 161 -3,-1.5 0, 0.0 1,-0.1 0, 0.0 -0.414 14.9 169.6 -60.8 131.0 65.6 88.9 -9.0 68 65 A D - 0 0 52 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.299 57.3 -96.6-134.3 6.9 66.6 87.2 -5.8 69 66 A G S S+ 0 0 82 1,-0.3 2,-0.1 2,-0.1 -2,-0.1 0.251 84.9 127.4 90.2 -10.4 67.0 83.5 -6.7 70 67 A K - 0 0 136 1,-0.1 -1,-0.3 2,-0.0 -2,-0.2 -0.424 64.5-118.9 -84.3 155.6 63.5 82.7 -5.4 71 68 A N + 0 0 78 -2,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.969 31.8 170.2 -50.1 -80.9 60.6 80.9 -7.2 72 69 A Y > + 0 0 27 1,-0.2 3,-0.9 -11,-0.1 2,-0.5 0.638 30.3 156.4 62.2 21.5 57.6 83.3 -7.6 73 70 A Q T 3 - 0 0 141 1,-0.2 -1,-0.2 -12,-0.1 -42,-0.2 -0.665 67.0 -3.9 -82.5 117.4 56.1 80.6 -9.9 74 71 A N T 3 S+ 0 0 129 -2,-0.5 -43,-0.8 1,-0.3 -1,-0.2 0.595 91.9 155.9 73.2 19.6 52.4 80.8 -10.2 75 72 A W E < -G 30 0B 9 -3,-0.9 -15,-3.4 -15,-0.3 2,-0.3 -0.477 29.0-151.0 -74.5 140.9 52.1 83.6 -7.6 76 73 A Q E -GJ 29 59B 40 -47,-2.7 -47,-2.2 -17,-0.3 2,-0.3 -0.870 7.1-133.3-109.9 149.7 49.0 85.7 -7.8 77 74 A T E +GJ 28 58B 5 -19,-3.3 -20,-3.4 -2,-0.3 -19,-0.6 -0.806 29.2 176.6-100.3 145.7 48.7 89.5 -6.8 78 75 A H E -GJ 27 56B 15 -51,-2.7 -51,-2.5 -2,-0.3 -22,-0.2 -0.967 33.4-105.6-142.3 159.5 45.7 90.6 -4.7 79 76 A T E - 0 0 19 -24,-1.9 -25,-2.9 -2,-0.3 2,-0.4 -0.412 43.2-115.6 -76.3 160.3 44.4 93.7 -3.0 80 77 A V E - J 0 53B 0 -55,-0.5 -58,-3.2 -58,-0.3 2,-0.4 -0.856 27.6-167.7-102.7 135.3 44.8 93.7 0.8 81 78 A E E -EJ 21 52B 0 -29,-2.6 -29,-2.2 -2,-0.4 2,-0.6 -0.986 14.4-145.0-124.3 135.0 41.9 93.8 3.2 82 79 A L E -EJ 20 51B 0 -62,-2.4 -62,-2.4 -2,-0.4 2,-0.5 -0.884 20.0-171.0 -98.3 115.1 42.0 94.5 6.9 83 80 A V E -EJ 19 50B 3 -33,-2.4 -33,-3.3 -2,-0.6 -64,-0.2 -0.947 13.9-139.7-115.4 109.2 39.4 92.3 8.7 84 81 A S E - J 0 49B 4 -66,-2.7 -35,-0.3 -2,-0.5 -36,-0.1 -0.248 15.4-118.3 -67.6 152.7 38.8 93.0 12.4 85 82 A Y - 0 0 29 -37,-2.8 -67,-0.1 -38,-0.1 -69,-0.1 -0.807 50.2-100.6 -85.9 128.0 38.2 90.4 15.1 86 83 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -69,-0.2 -0.147 45.8-179.6 -54.8 148.3 34.6 91.1 16.4 87 84 A C E -D 16 0B 6 -71,-1.6 -71,-2.7 -3,-0.0 2,-0.1 -0.863 40.3 -74.0-137.2 169.7 34.2 93.0 19.6 88 85 A E E > -D 15 0B 22 -2,-0.3 3,-1.0 -73,-0.2 -73,-0.2 -0.484 38.4-133.0 -66.4 140.1 31.2 94.2 21.7 89 86 A X T 3 S+ 0 0 13 -75,-1.7 -1,-0.1 1,-0.2 -74,-0.1 0.739 107.3 51.3 -65.0 -28.2 29.5 97.2 20.1 90 87 A D T 3 S+ 0 0 108 -76,-0.3 2,-1.5 1,-0.1 -1,-0.2 0.418 82.5 103.3 -86.7 -7.9 29.4 99.1 23.4 91 88 A D <> + 0 0 73 -3,-1.0 4,-2.0 1,-0.2 5,-0.2 -0.643 44.9 175.3 -83.8 84.3 33.2 98.5 24.0 92 89 A K H > S+ 0 0 164 -2,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.896 77.1 53.7 -55.7 -44.5 34.6 101.9 23.1 93 90 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 112.1 42.7 -59.3 -45.8 38.2 100.9 24.1 94 91 A A H > S+ 0 0 16 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.814 115.6 49.7 -71.5 -34.9 38.2 97.8 21.8 95 92 A V H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.920 114.4 44.6 -69.3 -46.1 36.5 99.7 18.9 96 93 A E H X S+ 0 0 75 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.880 110.4 53.2 -66.8 -41.9 39.0 102.6 19.2 97 94 A T H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.825 107.7 52.6 -63.0 -35.8 42.1 100.3 19.5 98 95 A R H X S+ 0 0 26 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.957 111.5 45.9 -64.6 -49.4 41.1 98.5 16.3 99 96 A K H X S+ 0 0 32 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.893 114.7 46.2 -56.7 -51.1 40.8 101.8 14.4 100 97 A Q H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.841 111.4 52.4 -64.0 -36.1 44.1 103.2 15.7 101 98 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.868 110.1 48.6 -67.6 -39.3 45.9 99.8 14.9 102 99 A X H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 112.2 48.3 -67.2 -44.1 44.5 100.0 11.3 103 100 A L H X S+ 0 0 56 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.853 112.2 49.6 -64.6 -37.7 45.7 103.6 11.0 104 101 A W H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 108.2 52.9 -66.7 -43.5 49.2 102.7 12.4 105 102 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.907 104.9 54.3 -62.8 -36.8 49.5 99.7 10.0 106 103 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 51,-0.4 0.909 109.8 49.1 -58.6 -40.5 48.8 102.0 7.0 107 104 A T H X S+ 0 0 84 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.922 111.7 47.9 -61.3 -48.5 51.7 104.1 8.3 108 105 A H H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.889 111.1 51.1 -63.2 -40.5 53.9 100.9 8.6 109 106 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.897 104.8 57.9 -62.8 -40.8 52.8 99.9 5.0 110 107 A T H X S+ 0 0 35 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.912 112.6 39.0 -55.6 -46.9 53.8 103.4 3.8 111 108 A T H X S+ 0 0 67 -4,-1.6 4,-2.7 2,-0.2 3,-0.4 0.890 112.9 57.8 -69.9 -42.4 57.4 102.9 5.1 112 109 A H H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.912 108.0 44.4 -55.5 -49.4 57.5 99.2 4.0 113 110 A I H < S+ 0 0 2 -4,-2.9 4,-0.3 1,-0.2 39,-0.3 0.708 115.1 52.1 -71.8 -15.6 56.8 100.0 0.3 114 111 A D H < S+ 0 0 120 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.908 129.2 13.2 -84.9 -45.4 59.3 102.8 0.5 115 112 A Q H < S+ 0 0 144 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.670 137.6 33.6-105.8 -21.7 62.3 100.9 1.9 116 113 A S S >< S+ 0 0 20 -4,-3.0 3,-1.5 -5,-0.4 26,-0.3 -0.212 73.2 169.5-128.7 41.5 61.2 97.2 1.5 117 114 A N T 3 S+ 0 0 22 -4,-0.3 26,-0.2 1,-0.2 -4,-0.1 -0.341 73.1 13.5 -60.2 134.5 59.2 97.1 -1.8 118 115 A H T 3 S+ 0 0 1 24,-2.3 -1,-0.2 1,-0.3 25,-0.2 0.659 104.4 115.3 70.9 21.5 58.4 93.4 -3.0 119 116 A Q B < S-K 142 0B 90 -3,-1.5 23,-2.2 23,-0.8 -1,-0.3 -0.832 72.6-105.3-112.6 152.8 59.5 92.0 0.4 120 117 A P - 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