==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAY-08 3D37 . COMPND 2 MOLECULE: TAIL PROTEIN, 43 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR R.ZHANG,H.LI,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 642 8 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0.2 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 . 56 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 0 2 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 5 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 PARALLEL BRIDGES PER LADDER . 6 0 2 4 4 11 1 0 1 3 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 4 0 0 0 0 0 0 0 0 0 2 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 6 A Y 0 0 183 0, 0.0 509,-0.7 0, 0.0 510,-0.5 0.000 360.0 360.0 360.0 -17.8 -9.1 54.5 109.2 2 7 A G - 0 0 21 508,-0.1 2,-0.3 507,-0.1 509,-0.1 -0.566 360.0 -51.3-123.9-160.0 -12.9 54.7 109.9 3 8 A Y - 0 0 37 -2,-0.2 2,-0.8 507,-0.1 265,-0.0 -0.599 38.0-140.3 -82.6 136.2 -14.7 56.5 112.8 4 9 A A - 0 0 44 -2,-0.3 49,-2.9 11,-0.1 2,-0.5 -0.846 30.2-180.0 -87.8 109.9 -13.9 56.0 116.5 5 10 A V E +A 52 0A 7 -2,-0.8 12,-0.4 47,-0.2 2,-0.3 -0.973 5.3 170.8-115.7 123.2 -17.3 55.9 118.1 6 11 A S E -A 51 0A 2 45,-2.6 45,-2.8 -2,-0.5 2,-0.6 -0.935 38.0-138.0-132.6 159.7 -17.6 55.4 121.8 7 12 A V E -AB 50 14A 0 7,-2.1 7,-1.6 -2,-0.3 2,-0.6 -0.977 31.9-152.9-107.0 108.9 -20.0 55.5 124.8 8 13 A R E +AB 49 13A 65 41,-3.1 41,-1.6 -2,-0.6 2,-0.4 -0.807 23.5 166.0 -89.9 119.3 -17.9 57.2 127.4 9 14 A V E > - B 0 12A 11 3,-2.7 3,-1.5 -2,-0.6 39,-0.1 -0.978 69.0 -8.0-135.2 123.2 -19.0 56.2 131.0 10 15 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.2 37,-0.3 3,-0.1 0.980 127.2 -57.5 53.8 58.7 -16.9 56.9 134.1 11 16 A G T 3 S+ 0 0 70 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.307 115.0 121.1 61.6 -8.4 -13.9 58.2 132.0 12 17 A K E < -B 9 0A 140 -3,-1.5 -3,-2.7 1,-0.0 2,-0.5 -0.694 57.4-141.1 -97.1 133.2 -14.0 54.8 130.3 13 18 A E E -B 8 0A 58 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.819 7.4-160.9 -95.0 127.0 -14.5 54.5 126.5 14 19 A H E +B 7 0A 44 -7,-1.6 -7,-2.1 -2,-0.5 2,-0.1 -0.963 29.1 157.5-109.7 121.5 -16.6 51.7 125.2 15 20 A R + 0 0 115 -2,-0.6 -9,-0.1 -9,-0.2 -11,-0.1 -0.401 30.3 72.0-127.8-178.2 -15.7 51.2 121.6 16 21 A H + 0 0 144 -11,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.836 57.7 176.5 72.8 40.0 -15.9 48.5 118.9 17 22 A W - 0 0 21 -12,-0.4 20,-0.3 1,-0.1 -1,-0.2 -0.389 29.7-155.2 -75.2 146.2 -19.7 48.3 118.2 18 23 A E S S+ 0 0 17 18,-2.3 2,-0.3 1,-0.3 19,-0.2 0.765 80.8 3.8 -86.1 -29.7 -21.2 46.1 115.5 19 24 A R E +C 36 0A 85 17,-2.1 17,-2.4 287,-0.1 2,-0.3 -0.988 65.4 167.5-150.5 150.2 -24.2 48.4 115.1 20 25 A Y E -CD 35 305A 6 285,-1.7 285,-2.0 -2,-0.3 2,-0.3 -0.976 18.8-158.6-155.6 164.4 -25.6 51.7 116.4 21 26 A D E -CD 34 304A 52 13,-2.1 13,-1.8 -2,-0.3 2,-0.5 -0.951 9.5-176.1-143.6 123.2 -28.3 54.3 115.8 22 27 A I E -CD 33 303A 0 281,-2.5 281,-2.3 -2,-0.3 2,-0.5 -0.974 13.6-169.5-127.6 110.3 -27.9 57.8 117.2 23 28 A D E +CD 32 302A 30 9,-2.8 9,-2.1 -2,-0.5 2,-0.4 -0.916 12.4 175.1-118.4 118.7 -30.9 59.9 116.5 24 29 A S E + D 0 301A 1 277,-2.5 277,-3.0 -2,-0.5 2,-0.3 -0.987 8.2 164.3-121.0 142.2 -31.3 63.7 117.0 25 30 A D E - D 0 300A 19 -2,-0.4 275,-0.2 3,-0.3 274,-0.1 -0.992 38.0-138.9-157.8 131.9 -34.4 65.7 116.0 26 31 A F S S+ 0 0 13 273,-2.5 274,-0.1 -2,-0.3 -1,-0.1 0.850 106.0 39.8 -65.3 -30.7 -35.7 69.2 116.8 27 32 A L S S+ 0 0 82 272,-0.3 -1,-0.1 127,-0.0 273,-0.1 0.831 96.5 77.9 -95.2 -34.0 -39.3 67.9 117.2 28 33 A I S S- 0 0 95 1,-0.1 -3,-0.3 2,-0.0 3,-0.0 -0.656 80.8-140.2 -75.7 121.1 -38.8 64.6 119.0 29 34 A P S S+ 0 0 52 0, 0.0 2,-0.6 0, 0.0 128,-0.3 0.911 81.4 39.0 -49.2 -59.7 -38.2 65.8 122.7 30 35 A A S S- 0 0 15 54,-0.1 -3,-0.0 126,-0.1 126,-0.0 -0.866 77.7-142.1-105.2 112.7 -35.4 63.3 123.8 31 36 A D - 0 0 15 -2,-0.6 51,-2.2 1,-0.1 2,-0.3 -0.302 29.5-154.3 -60.5 153.5 -32.7 62.4 121.3 32 37 A S E -CE 23 81A 52 -9,-2.1 -9,-2.8 49,-0.2 2,-0.3 -0.904 17.9-157.2-139.7 163.2 -31.7 58.8 121.6 33 38 A F E -CE 22 80A 2 47,-2.2 47,-2.0 -2,-0.3 2,-0.3 -0.986 3.4-172.7-142.5 153.1 -29.0 56.2 121.1 34 39 A D E -CE 21 79A 62 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.3 -0.960 8.6-178.6-150.1 122.2 -28.7 52.5 120.7 35 40 A F E -CE 20 78A 0 43,-2.6 43,-2.1 -2,-0.3 2,-0.4 -0.981 2.9-178.6-128.6 139.8 -25.5 50.4 120.5 36 41 A V E -CE 19 77A 9 -17,-2.4 -18,-2.3 -2,-0.3 -17,-2.1 -0.999 6.4-174.6-135.2 133.1 -24.8 46.7 120.0 37 42 A I E - E 0 76A 31 39,-2.2 39,-2.2 -2,-0.4 2,-0.2 -0.976 6.4-168.5-118.6 147.3 -21.6 44.6 120.0 38 43 A G 0 0 21 -2,-0.4 37,-0.2 37,-0.2 -21,-0.0 -0.553 360.0 360.0-137.5 70.9 -21.8 40.9 119.1 39 44 A R 0 0 196 -2,-0.2 34,-0.1 34,-0.1 -2,-0.0 -0.969 360.0 360.0-139.3 360.0 -18.5 38.9 119.8 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 52 A P 0 0 125 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.1 -20.6 45.4 133.7 42 53 A D + 0 0 114 1,-0.2 23,-0.0 2,-0.0 0, 0.0 -0.671 360.0 165.7 -78.2 108.0 -24.1 47.0 134.5 43 54 A L > + 0 0 20 -2,-0.9 3,-2.1 3,-0.1 19,-0.3 0.364 29.8 129.7 -99.6 1.5 -24.0 50.5 133.0 44 55 A S T 3 S+ 0 0 43 1,-0.3 19,-0.2 19,-0.1 3,-0.1 -0.349 76.3 17.9 -63.2 136.3 -27.8 51.0 133.2 45 56 A G T 3 S+ 0 0 55 17,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.385 97.4 130.5 82.4 -2.1 -28.6 54.3 134.8 46 57 A E < - 0 0 91 -3,-2.1 16,-2.6 1,-0.1 -1,-0.3 -0.559 62.5-112.9 -83.2 148.5 -25.1 55.7 134.3 47 58 A S E + F 0 61A 82 14,-0.2 -37,-0.3 -2,-0.2 2,-0.3 -0.510 46.2 175.5 -74.2 143.2 -24.4 59.1 132.8 48 59 A C E - F 0 60A 7 12,-2.8 12,-2.4 -2,-0.2 2,-0.4 -0.961 29.6-144.5-147.2 166.9 -22.7 58.9 129.4 49 60 A E E -AF 8 59A 62 -41,-1.6 -41,-3.1 -2,-0.3 2,-0.5 -0.988 17.3-140.5-130.7 140.9 -21.4 60.8 126.4 50 61 A V E -AF 7 58A 1 8,-2.9 7,-2.6 -2,-0.4 8,-1.1 -0.895 27.9-169.7 -99.7 129.2 -21.6 59.6 122.9 51 62 A V E -AF 6 56A 2 -45,-2.8 -45,-2.6 -2,-0.5 2,-0.5 -0.978 18.3-171.1-130.5 132.2 -18.3 60.5 121.1 52 63 A I E > S-AF 5 55A 0 3,-3.0 3,-2.4 -2,-0.4 -47,-0.2 -0.991 82.5 -19.5-120.6 120.8 -17.3 60.4 117.4 53 64 A D T 3 S- 0 0 68 -49,-2.9 -1,-0.1 -2,-0.5 -48,-0.1 0.886 129.5 -51.2 47.2 48.6 -13.6 61.0 116.7 54 65 A G T 3 S+ 0 0 63 -50,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.441 115.1 117.7 71.9 4.3 -13.3 62.7 120.1 55 66 A Q E < -F 52 0A 105 -3,-2.4 -3,-3.0 2,-0.0 2,-0.4 -0.898 65.2-129.8-106.5 125.5 -16.2 65.0 119.5 56 67 A I E +F 51 0A 46 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.566 28.5 174.2 -69.7 126.6 -19.2 64.6 121.9 57 68 A V E + 0 0 3 -7,-2.6 2,-0.3 -2,-0.4 -6,-0.2 0.552 66.2 14.2-108.3 -13.6 -22.4 64.3 119.8 58 69 A M E -F 50 0A 5 -8,-1.1 -8,-2.9 102,-0.1 2,-0.4 -0.951 55.4-155.4-164.0 142.4 -24.8 63.6 122.7 59 70 A T E +F 49 0A 23 99,-0.3 24,-1.0 -2,-0.3 2,-0.2 -0.983 44.9 109.8-120.5 126.1 -24.9 63.8 126.5 60 71 A G E -FG 48 82A 3 -12,-2.4 -12,-2.8 -2,-0.4 2,-0.4 -0.815 57.6 -75.0-166.4-152.5 -27.4 61.5 128.3 61 72 A I E -FG 47 81A 36 20,-2.2 20,-1.4 -14,-0.3 2,-0.5 -0.993 35.0-118.9-138.8 132.6 -28.2 58.5 130.5 62 73 A I E - G 0 80A 0 -16,-2.6 -17,-3.2 -2,-0.4 18,-0.3 -0.636 31.3-178.8 -70.9 116.3 -28.1 54.8 129.7 63 74 A G E + 0 0 60 16,-2.2 2,-0.3 -2,-0.5 17,-0.2 0.741 59.7 9.8 -89.2 -30.5 -31.7 53.7 130.3 64 75 A S E - G 0 79A 45 15,-2.0 15,-2.4 -21,-0.1 2,-0.4 -0.999 54.0-164.0-156.3 154.3 -31.4 50.1 129.5 65 76 A Q E - G 0 78A 51 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -1.000 5.7-168.0-141.5 137.8 -29.0 47.2 128.9 66 77 A R E - G 0 77A 107 11,-2.5 11,-2.9 -2,-0.4 2,-0.5 -0.982 5.0-170.1-125.9 135.4 -29.3 43.8 127.5 67 78 A H E - G 0 76A 96 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.994 13.4-179.2-117.2 128.4 -26.9 40.8 127.5 68 79 A G E + G 0 75A 38 7,-3.0 7,-3.3 -2,-0.5 2,-0.3 -0.992 3.6 178.9-130.1 138.6 -27.9 37.8 125.3 69 80 A K E + G 0 74A 148 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.998 10.8 153.8-136.0 132.7 -26.0 34.5 124.8 70 81 A S E > - G 0 73A 79 3,-2.6 3,-1.2 -2,-0.3 2,-0.4 -0.827 63.0 -68.2-138.9-177.1 -26.7 31.4 122.8 71 82 A K T 3 S+ 0 0 207 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.618 127.8 16.4 -74.5 125.8 -24.3 28.8 121.3 72 83 A G T 3 S+ 0 0 86 -2,-0.4 2,-0.3 1,-0.0 -1,-0.2 0.204 121.2 59.6 95.0 -20.0 -22.5 30.9 118.7 73 84 A S E < - G 0 70A 70 -3,-1.2 -3,-2.6 -34,-0.1 2,-0.4 -1.000 43.2-178.5-147.5 145.4 -23.4 34.5 119.8 74 85 A R E - G 0 69A 124 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.976 16.4-174.3-132.1 133.7 -23.1 36.9 122.6 75 86 A E E - G 0 68A 74 -7,-3.3 -7,-3.0 -2,-0.4 2,-0.5 -1.000 9.2-169.8-133.9 125.0 -24.7 40.3 122.2 76 87 A L E -EG 37 67A 48 -39,-2.2 -39,-2.2 -2,-0.4 2,-0.3 -0.986 14.9-175.9-110.5 127.3 -24.5 43.3 124.6 77 88 A S E -EG 36 66A 15 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.3 -0.949 11.1-169.9-126.5 151.6 -26.7 46.2 124.0 78 89 A L E -EG 35 65A 2 -43,-2.1 -43,-2.6 -2,-0.3 2,-0.3 -0.995 6.5-179.7-132.0 137.1 -27.2 49.7 125.5 79 90 A S E +EG 34 64A 19 -15,-2.4 -16,-2.2 -2,-0.3 -15,-2.0 -0.962 12.6 140.0-133.2 162.1 -29.9 52.3 125.0 80 91 A G E -EG 33 62A 10 -47,-2.0 -47,-2.2 -2,-0.3 2,-0.3 -0.971 33.4-114.5-176.5-176.7 -30.7 55.7 126.3 81 92 A R E -EG 32 61A 96 -20,-1.4 -20,-2.2 -2,-0.3 -49,-0.2 -0.875 32.3-100.5-131.3 161.0 -31.8 59.2 125.9 82 93 A D E > - G 0 60A 5 -51,-2.2 3,-2.1 -2,-0.3 -22,-0.2 -0.072 56.4 -81.6 -70.5-178.5 -30.3 62.7 126.1 83 94 A L T >> S+ 0 0 6 -24,-1.0 3,-1.1 1,-0.3 4,-0.8 0.658 122.1 77.2 -71.0 -14.7 -30.9 64.9 129.2 84 95 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.732 76.4 79.8 -60.3 -25.8 -34.3 66.0 127.9 85 96 A G H <> S+ 0 0 3 -3,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.859 89.6 51.9 -47.7 -43.0 -35.4 62.5 129.1 86 97 A F H <> S+ 0 0 52 -3,-1.1 4,-3.1 -4,-0.2 54,-0.2 0.930 112.3 44.2 -54.9 -50.6 -35.5 64.0 132.7 87 98 A L H < S+ 0 0 0 -4,-0.8 54,-1.6 1,-0.2 53,-0.8 0.881 114.2 50.4 -67.3 -36.5 -37.8 66.9 131.5 88 99 A V H < S+ 0 0 45 -4,-2.6 -1,-0.2 52,-0.2 -2,-0.2 0.820 120.1 36.3 -65.0 -35.7 -40.0 64.5 129.4 89 100 A D H < S+ 0 0 96 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.863 110.2 67.1 -84.9 -42.8 -40.4 62.1 132.4 90 101 A C S < S- 0 0 40 -4,-3.1 50,-1.6 -5,-0.2 2,-0.3 -0.235 84.2 -96.8 -90.1 168.2 -40.5 64.6 135.3 91 102 A S B -M 139 0B 76 48,-0.2 48,-0.3 49,-0.1 -1,-0.1 -0.640 25.6-124.6 -95.1 141.5 -43.2 67.1 136.3 92 103 A A - 0 0 15 46,-3.0 2,-0.1 -2,-0.3 48,-0.1 -0.408 26.6-126.4 -66.2 147.3 -43.2 70.8 135.7 93 104 A P - 0 0 57 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.386 32.5 -99.7 -72.1 174.9 -43.6 73.1 138.8 94 105 A Q + 0 0 117 -2,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.495 61.0 163.7-101.4 65.4 -46.4 75.7 138.7 95 106 A L - 0 0 32 -2,-0.8 2,-0.5 10,-0.1 39,-0.2 -0.522 33.8-141.8 -70.3 140.4 -44.2 78.6 137.7 96 107 A N - 0 0 94 -2,-0.2 37,-0.1 1,-0.1 35,-0.1 -0.966 15.7-169.0-103.8 130.1 -45.9 81.7 136.4 97 108 A V > + 0 0 3 -2,-0.5 3,-3.3 35,-0.3 32,-0.6 0.511 24.9 149.2-104.1 0.6 -43.7 83.1 133.5 98 109 A K B 3 S-n 129 0C 102 1,-0.4 32,-0.2 30,-0.1 3,-0.1 -0.485 81.9 -15.4 -90.8 130.5 -45.1 86.6 132.8 99 110 A G T 3 S+ 0 0 55 30,-1.0 2,-0.4 1,-0.3 -1,-0.4 0.060 95.6 128.9 -99.9 78.7 -42.9 88.5 131.8 100 111 A M S < S- 0 0 53 -3,-3.3 29,-2.5 30,-0.2 -1,-0.3 -0.732 72.6 -99.6 -58.3 129.4 -39.9 86.7 132.8 101 112 A T B > -O 128 0D 37 -2,-0.4 4,-2.3 27,-0.3 27,-0.2 -0.095 28.9-113.2 -38.9 151.5 -37.7 86.5 129.7 102 113 A V H > S+ 0 0 1 25,-1.2 4,-1.9 1,-0.2 5,-0.2 0.928 119.0 55.0 -68.8 -37.2 -37.9 83.2 127.8 103 114 A L H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 110.6 45.3 -63.8 -35.3 -34.3 82.5 128.8 104 115 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 110.4 50.9 -79.4 -39.7 -35.1 82.9 132.5 105 116 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.821 114.2 47.4 -63.7 -27.6 -38.3 80.8 132.5 106 117 A A H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.928 110.4 50.9 -75.1 -45.7 -36.2 78.1 130.7 107 118 A K H X S+ 0 0 100 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.891 110.9 51.4 -54.0 -42.9 -33.3 78.5 133.3 108 119 A K H >< S+ 0 0 109 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.974 109.9 46.3 -61.0 -57.3 -35.9 78.1 136.0 109 120 A L H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.695 115.8 45.4 -61.7 -27.9 -37.5 74.9 134.6 110 121 A A H >< S+ 0 0 3 -4,-1.8 3,-1.8 1,-0.1 6,-0.3 0.484 86.6 97.1 -90.0 -11.1 -34.1 73.2 134.0 111 122 A A T << S+ 0 0 60 -3,-1.5 -2,-0.2 -4,-0.8 -1,-0.1 0.867 74.2 59.6 -47.0 -50.2 -32.8 74.3 137.5 112 123 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.596 98.8 64.2 -56.8 -13.6 -33.6 70.9 139.3 113 124 A W X + 0 0 30 -3,-1.8 3,-3.1 1,-0.2 -26,-0.0 -0.696 57.8 172.7-115.2 81.0 -31.3 69.1 136.8 114 125 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.708 74.5 79.4 -64.3 -19.1 -27.9 70.4 137.4 115 126 A Q T 3 S+ 0 0 86 -3,-0.1 2,-1.1 1,-0.1 -32,-0.1 0.816 80.8 71.3 -49.4 -35.5 -26.8 67.8 135.0 116 127 A I S < S- 0 0 11 -3,-3.1 46,-0.1 -6,-0.3 -1,-0.1 -0.768 75.1-176.7 -81.3 101.8 -28.1 70.4 132.5 117 128 A K + 0 0 194 -2,-1.1 2,-0.3 44,-0.2 -1,-0.1 0.520 56.1 23.9 -92.6 -8.4 -25.1 72.8 133.1 118 129 A A - 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