==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-11 3VA5 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,S.P.NAM,A.HEROUX,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 7 A L 0 0 86 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.2 2.4 33.0 -8.4 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.982 360.0-124.1-138.1 143.9 3.1 29.5 -7.0 3 9 A K E -A 63 0A 86 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.589 28.2-169.6 -80.4 139.1 4.3 28.1 -3.7 4 10 A E E -A 62 0A 21 58,-2.5 58,-2.5 -2,-0.3 2,-0.0 -0.954 27.5 -94.7-126.7 153.9 7.3 25.7 -3.8 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.292 45.2 159.1 -69.9 147.3 8.8 23.5 -1.1 6 12 A A E -A 60 0A 11 54,-1.7 54,-0.7 15,-0.1 2,-0.3 -0.942 25.5-140.2-153.6 165.3 11.6 24.5 1.3 7 13 A T E -D 20 0B 82 13,-1.6 13,-3.0 -2,-0.3 2,-0.4 -0.964 28.0-106.4-128.2 147.0 12.8 23.3 4.8 8 14 A L E +D 19 0B 50 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.603 34.2 170.6 -70.6 129.5 14.0 25.4 7.7 9 15 A I E S- 0 0 69 9,-2.8 2,-0.3 -2,-0.4 10,-0.2 0.816 70.5 -23.7 -95.4 -55.6 17.8 25.3 8.3 10 16 A K E -D 18 0B 147 8,-1.8 8,-3.3 0, 0.0 -1,-0.3 -0.966 56.6-121.4-155.8 140.5 17.9 28.1 10.9 11 17 A A E +D 17 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.491 31.2 175.6 -68.9 149.5 16.0 31.1 11.9 12 18 A I E - 0 0 87 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.627 50.1 -40.7-120.3 -67.3 18.1 34.3 11.7 13 19 A D E > S-D 16 0B 22 3,-1.9 3,-0.7 33,-0.1 -1,-0.5 -0.789 76.8 -60.5-148.1-163.0 16.0 37.4 12.5 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.819 129.9 19.4 -58.3 -39.5 12.6 39.1 11.9 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.244 118.2 60.1-121.0 14.8 12.8 39.2 8.0 16 22 A T E < +DE 13 29B 13 -3,-0.7 -3,-1.9 13,-0.2 -4,-1.1 -0.992 50.4 166.9-138.7 147.1 15.5 36.7 7.1 17 23 A A E -DE 11 28B 10 11,-1.6 11,-3.0 -2,-0.3 2,-0.7 -0.981 36.9-114.2-152.7 154.3 15.9 32.9 7.6 18 24 A K E +DE 10 27B 84 -8,-3.3 -9,-2.8 -2,-0.3 -8,-1.8 -0.856 44.1 173.2 -92.1 122.8 18.2 30.2 6.3 19 25 A L E -DE 8 26B 6 7,-2.7 7,-2.5 -2,-0.7 2,-0.7 -0.854 35.4-122.9-127.2 152.0 16.2 27.7 4.2 20 26 A M E +DE 7 25B 80 -13,-3.0 -13,-1.6 -2,-0.3 2,-0.4 -0.909 34.8 179.0 -94.6 120.2 16.9 24.7 2.0 21 27 A Y E > - E 0 24B 22 3,-2.6 3,-2.0 -2,-0.7 -15,-0.1 -0.989 69.3 -10.0-128.7 129.6 15.5 25.3 -1.4 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.828 131.3 -56.9 42.0 40.2 15.8 22.8 -4.3 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.507 117.4 106.1 81.5 8.4 18.3 21.0 -2.0 24 30 A Q E < S-E 21 0B 126 -3,-2.0 -3,-2.6 2,-0.0 2,-0.3 -0.931 71.7-115.4-122.3 143.0 20.7 24.0 -1.5 25 31 A P E +E 20 0B 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.539 43.0 166.1 -74.3 138.5 21.1 26.2 1.5 26 32 A M E -E 19 0B 42 -7,-2.5 -7,-2.7 -2,-0.3 2,-0.5 -0.994 38.0-123.8-150.1 142.9 20.1 29.9 1.0 27 33 A T E -E 18 0B 51 -2,-0.3 49,-2.4 -9,-0.2 2,-0.4 -0.765 32.2-155.9 -78.4 128.1 19.4 32.9 3.1 28 34 A F E -Ef 17 76B 8 -11,-3.0 -11,-1.6 -2,-0.5 2,-0.4 -0.871 7.7-159.3-104.1 137.6 16.0 34.2 2.3 29 35 A R E -Ef 16 77B 23 47,-3.3 49,-1.4 -2,-0.4 2,-0.3 -0.958 29.2-115.8-111.3 132.8 14.9 37.9 2.8 30 36 A L E > - f 0 78B 14 -15,-2.5 3,-0.9 -2,-0.4 49,-0.2 -0.463 31.4-118.4 -74.2 129.7 11.1 38.4 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.6 49,-0.1 -2,-0.3 -1,-0.1 -0.351 84.6 7.6 -64.3 145.5 9.7 40.5 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.469 108.1 91.3 69.6 13.5 7.9 43.8 0.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.883 51.4-160.7-135.3 160.2 8.7 44.1 4.6 34 40 A D E -H 98 0C 55 64,-1.8 64,-2.1 -2,-0.3 3,-0.1 -0.909 10.0-168.8-139.4 119.8 11.3 45.5 7.0 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.663 36.3 -96.1 -94.6 156.5 11.7 44.4 10.5 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.350 46.7-102.6 -61.0 152.0 13.8 46.2 13.1 37 43 A E > - 0 0 88 1,-0.1 3,-2.6 -24,-0.1 6,-0.2 -0.413 37.2-102.0 -73.0 157.2 17.3 44.9 13.5 38 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.781 122.9 53.5 -51.7 -32.5 17.9 42.7 16.5 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.409 100.0 78.5 -85.8 3.5 19.6 45.6 18.3 40 52 A E S X S- 0 0 98 -3,-2.6 3,-2.4 1,-0.1 2,-0.0 -0.656 98.8 -72.7-108.6 161.6 16.7 48.0 17.7 41 53 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.332 121.7 9.8 -52.5 134.0 13.4 48.4 19.5 42 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.8 -7,-0.1 -1,-0.3 0.355 98.6 112.7 72.3 -1.6 11.0 45.5 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.3 -6,-0.2 -29,-0.2 0.931 77.2 44.3 -65.6 -48.3 13.9 43.8 16.9 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.909 114.1 51.8 -62.9 -36.2 14.0 41.0 19.5 45 57 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.907 110.8 47.4 -67.9 -41.3 10.2 40.7 19.3 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.894 111.1 50.6 -61.4 -50.2 10.3 40.4 15.5 47 59 A S H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 112.5 47.6 -52.3 -46.1 13.1 37.8 15.6 48 60 A A H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.891 109.8 52.8 -67.5 -36.7 11.1 35.7 18.1 49 61 A F H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.951 113.8 41.3 -62.8 -53.3 7.9 36.0 16.1 50 62 A T H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.907 113.9 53.6 -61.7 -42.0 9.4 34.8 12.9 51 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.947 110.7 46.4 -60.8 -45.3 11.5 32.0 14.7 52 64 A K H X S+ 0 0 140 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.933 113.3 50.3 -62.3 -42.8 8.3 30.6 16.4 53 65 A M H X S+ 0 0 29 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.934 116.9 37.0 -65.3 -44.4 6.4 30.7 13.2 54 66 A V H < S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.6 50.4 -78.2 -33.5 9.0 28.9 11.0 55 67 A E H < S+ 0 0 94 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.787 111.9 46.9 -73.6 -31.9 10.2 26.4 13.7 56 68 A N H < S+ 0 0 91 -4,-2.0 2,-0.2 -5,-0.3 -1,-0.2 0.606 89.8 109.6 -86.2 -13.6 6.7 25.3 14.6 57 69 A A < - 0 0 18 -4,-0.7 3,-0.2 -5,-0.2 -3,-0.0 -0.434 54.4-159.6 -66.3 132.9 5.6 24.8 11.0 58 70 A K S S+ 0 0 179 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.827 86.7 27.6 -70.6 -35.6 5.0 21.4 9.7 59 71 A K - 0 0 115 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.995 66.7-167.0-134.0 125.8 5.4 22.7 6.1 60 72 A I E -AB 6 82A 14 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.923 13.0-179.6-105.3 139.6 7.4 25.7 4.9 61 73 A E E -AB 5 81A 32 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.978 14.9-148.9-133.9 153.5 6.9 27.1 1.4 62 74 A V E -AB 4 80A 0 -58,-2.5 -58,-2.5 -2,-0.3 2,-0.5 -0.938 6.0-163.4-117.5 144.2 8.5 29.9 -0.6 63 75 A E E -AB 3 79A 8 16,-2.6 16,-2.5 -2,-0.4 -60,-0.2 -0.944 8.2-153.9-127.3 117.7 6.8 31.9 -3.3 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.481 14.0-132.6 -83.5 156.5 8.8 34.0 -5.7 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.050 35.3 -88.1 -91.2-167.0 7.3 37.1 -7.4 66 78 A K S S+ 0 0 172 39,-0.4 40,-0.2 -2,-0.0 3,-0.1 0.462 105.0 43.5 -85.3 -5.4 7.5 38.0 -11.1 67 79 A G S S+ 0 0 33 1,-0.3 39,-0.1 38,-0.1 38,-0.1 -0.008 105.9 1.3-116.3-139.4 10.8 39.9 -10.9 68 80 A Q - 0 0 141 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.175 47.3-168.7 -57.4 135.2 14.2 39.4 -9.3 69 81 A R S S+ 0 0 113 1,-0.1 8,-2.3 -3,-0.1 2,-0.3 0.612 72.9 36.4-101.2 -11.2 14.6 36.2 -7.3 70 82 A T B S-G 76 0B 71 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.972 75.8-136.1-135.5 145.9 17.8 37.1 -5.6 71 83 A D > - 0 0 34 4,-2.5 3,-2.0 -2,-0.3 -2,-0.0 -0.324 41.6 -86.3 -89.2-179.8 19.2 40.4 -4.2 72 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.645 128.7 55.2 -62.5 -13.3 22.6 41.9 -4.6 73 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.333 120.8-106.7 -96.8 2.4 23.8 39.9 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.0 2,-0.3 1,-0.3 -47,-0.2 0.590 72.8 144.1 78.3 12.0 22.7 36.6 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.669 54.1-115.7 -79.1 141.8 19.7 36.3 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.4 -47,-3.3 -2,-0.3 2,-0.6 -0.425 22.8-144.2 -70.1 141.1 16.5 34.8 -2.1 77 89 A L E +f 29 0B 26 -8,-2.3 -12,-0.5 -49,-0.2 2,-0.3 -0.962 42.2 130.2-113.5 112.8 13.6 37.2 -2.3 78 90 A A E -f 30 0B 2 -49,-1.4 -47,-2.6 -2,-0.6 2,-0.5 -0.959 60.9-104.7-148.9 167.0 10.2 35.5 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.4 -0.881 44.0-148.2 -90.1 127.9 7.0 35.3 0.3 80 92 A A E -B 62 0A 9 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.885 10.1-160.6-108.2 138.9 7.3 32.6 3.0 81 93 A Y E -BC 61 86A 17 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.6 -0.973 8.6-164.2-121.9 136.8 4.5 30.4 4.2 82 94 A A E > S-BC 60 85A 9 3,-2.7 3,-2.1 -2,-0.4 -22,-0.2 -0.972 85.9 -23.5-122.9 110.5 4.3 28.4 7.4 83 95 A D T 3 S- 0 0 85 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.892 129.3 -51.0 46.4 46.4 1.5 25.9 7.3 84 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.328 113.7 117.7 76.6 1.3 -0.1 28.1 4.6 85 97 A K E < -C 82 0A 118 -3,-2.1 -3,-2.7 4,-0.0 2,-0.4 -0.848 68.2-121.6-100.1 129.0 0.0 31.3 6.6 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.0 -5,-0.2 -5,-0.3 -0.511 15.0-158.5 -72.6 121.6 2.2 34.1 5.0 87 99 A V H > S+ 0 0 2 -7,-3.0 4,-2.7 -2,-0.4 5,-0.2 0.907 91.7 56.6 -62.8 -41.9 5.0 35.1 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.949 111.7 42.8 -56.1 -47.3 5.4 38.5 5.6 89 101 A E H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 111.9 53.7 -63.9 -47.8 1.7 39.3 6.2 90 102 A A H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.916 106.3 51.9 -62.4 -40.8 1.7 38.1 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 6,-0.7 0.937 113.0 44.8 -54.6 -51.6 4.6 40.2 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.927 109.0 56.5 -63.2 -36.1 3.0 43.4 9.4 93 105 A R H 3<5S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.7 48.0 -68.3 -29.1 -0.4 42.5 10.9 94 106 A Q T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.401 115.5-112.9 -91.0 4.4 1.2 42.4 14.3 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.3 -4,-0.2 -3,-0.2 0.803 86.6 116.7 72.0 26.5 3.1 45.7 14.0 96 108 A L S - 0 0 152 -2,-1.2 3,-1.8 3,-0.4 -3,-0.0 -0.793 34.6-102.0 -98.9 142.1 10.1 47.5 -6.1 104 116 A K T 3 S+ 0 0 207 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.264 108.2 26.8 -60.0 140.7 8.1 47.5 -9.4 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -39,-0.4 1,-0.0 -1,-0.2 0.256 117.0 62.4 88.1 -18.0 7.7 43.9 -10.8 106 118 A N S < S+ 0 0 10 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.321 76.6 93.7-128.2 55.1 8.1 42.3 -7.3 107 119 A N > + 0 0 57 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.032 33.0 130.2-136.0 34.5 5.0 43.7 -5.7 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.878 81.5 39.4 -59.9 -39.7 2.2 41.3 -6.1 109 121 A H T 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.168 81.6 113.8 -94.8 18.3 1.1 41.2 -2.5 110 122 A E H <> S+ 0 0 37 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.937 78.1 44.7 -56.6 -51.0 1.6 44.9 -1.8 111 123 A Q H > S+ 0 0 128 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.882 110.9 53.1 -67.8 -33.6 -2.1 45.7 -1.2 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 113.4 46.2 -55.9 -46.0 -2.7 42.7 1.0 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.874 109.7 52.0 -72.1 -37.8 0.3 43.8 3.1 114 126 A R H X S+ 0 0 94 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.881 106.6 54.8 -64.5 -29.2 -0.8 47.5 3.2 115 127 A K H X S+ 0 0 133 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.951 108.6 48.4 -71.9 -35.5 -4.2 46.4 4.5 116 128 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.855 110.2 52.2 -66.8 -43.7 -2.6 44.5 7.3 117 129 A E H X S+ 0 0 25 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.922 106.0 53.3 -61.9 -40.7 -0.4 47.5 8.2 118 130 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 109.9 49.3 -59.8 -40.5 -3.5 49.7 8.4 119 131 A Q H X S+ 0 0 74 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 110.9 48.7 -63.5 -48.4 -5.0 47.3 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.3 0.902 111.3 50.6 -58.9 -39.7 -1.9 47.1 13.0 121 133 A K H ><5S+ 0 0 93 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.898 107.5 52.3 -67.9 -39.5 -1.7 50.9 13.0 122 134 A K H 3<5S+ 0 0 186 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.883 111.9 47.0 -62.7 -33.2 -5.4 51.3 14.1 123 135 A E T 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.464 107.6-129.6 -86.4 -0.9 -4.7 48.9 17.0 124 136 A K T < 5 - 0 0 145 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.901 42.9-179.1 51.0 47.3 -1.5 50.8 17.9 125 137 A L > < - 0 0 44 -5,-2.4 3,-2.7 3,-0.1 -1,-0.2 -0.648 43.8 -56.7 -86.2 135.0 0.4 47.5 17.9 126 138 A N G > S+ 0 0 53 -2,-0.4 3,-2.4 1,-0.3 -30,-0.2 -0.175 135.0 27.0 48.4-108.5 4.1 47.3 18.8 127 139 A I G 3 S+ 0 0 42 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.832 127.6 50.8 -49.6 -35.7 6.0 49.6 16.3 128 140 A W G < 0 0 59 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.383 360.0 360.0 -86.3 3.9 2.8 51.7 16.0 129 141 A S < 0 0 98 -3,-2.4 -4,-0.1 -34,-0.2 -5,-0.1 -0.398 360.0 360.0 -83.4 360.0 2.3 52.0 19.8