==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-08 3ERO . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,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) . 7378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 35 27.1 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 . 1 0.8 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 1 1 2 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 0 0 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 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 78 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 163.6 2.5 -0.8 -8.1 2 8 A H - 0 0 154 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.964 360.0-128.9-135.8 135.2 3.2 -4.3 -6.9 3 9 A K E -A 63 0A 95 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.643 28.7-170.0 -83.8 138.9 4.2 -5.7 -3.5 4 10 A E E -A 62 0A 45 58,-2.5 58,-3.2 -2,-0.3 2,-0.0 -0.964 25.2 -97.1-127.5 151.5 7.3 -8.0 -3.5 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.258 45.2 155.1 -67.5 151.7 8.7 -10.2 -0.8 6 12 A A E -AB 60 21A 11 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.944 29.0-136.2-160.3 165.1 11.6 -9.3 1.5 7 13 A T E - B 0 20A 76 13,-1.5 13,-3.4 -2,-0.3 2,-0.2 -0.986 28.9-106.1-128.8 141.3 12.7 -10.4 5.0 8 14 A L E + B 0 19A 42 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.446 35.0 170.2 -61.4 132.4 13.9 -8.1 7.8 9 15 A I E - 0 0 80 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.736 68.2 -25.7 -98.9 -52.8 17.6 -8.1 8.5 10 16 A K E - B 0 18A 148 8,-1.8 8,-3.0 0, 0.0 -1,-0.2 -0.931 53.4-119.2-164.5 133.4 17.7 -5.2 11.0 11 17 A A E + B 0 17A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.424 31.0 177.3 -61.2 139.1 15.8 -2.1 12.0 12 18 A I E - 0 0 83 4,-1.4 2,-0.2 1,-0.5 5,-0.2 0.681 50.8 -43.2-112.0 -72.0 18.1 1.0 11.6 13 19 A D E > S- B 0 16A 21 3,-1.5 3,-0.5 33,-0.1 -1,-0.5 -0.718 78.4 -58.7-143.9-159.4 16.2 4.2 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.848 131.1 18.2 -59.7 -35.2 12.8 5.8 11.8 15 21 A D T 3 S+ 0 0 3 21,-0.1 15,-2.7 20,-0.1 2,-0.3 0.246 114.9 69.8-127.4 15.7 12.9 5.8 8.0 16 22 A T E < +BC 13 29A 11 -3,-0.5 -3,-1.5 13,-0.2 -4,-1.4 -0.989 50.2 170.8-132.9 144.7 15.7 3.2 7.1 17 23 A V E -BC 11 28A 1 11,-2.0 11,-3.1 -2,-0.3 2,-0.6 -0.993 31.0-126.9-151.4 138.5 15.6 -0.5 7.4 18 24 A K E +BC 10 27A 69 -8,-3.0 -9,-2.8 -2,-0.3 -8,-1.8 -0.822 38.6 170.4 -90.7 123.2 17.9 -3.4 6.3 19 25 A L E -BC 8 26A 0 7,-2.4 7,-2.4 -2,-0.6 2,-0.7 -0.954 37.7-121.4-127.8 150.1 15.9 -6.0 4.4 20 26 A M E -BC 7 25A 80 -13,-3.4 -13,-1.5 -2,-0.3 2,-0.4 -0.846 37.4-178.9 -87.7 120.5 16.9 -9.0 2.3 21 27 A Y E > -BC 6 24A 21 3,-2.8 3,-2.0 -2,-0.7 -15,-0.1 -0.987 68.2 -8.7-129.7 132.1 15.5 -8.4 -1.2 22 28 A K T 3 S- 0 0 167 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.855 131.6 -58.5 43.1 40.6 15.8 -10.9 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.528 117.3 107.4 77.1 5.6 18.2 -12.7 -1.6 24 30 A Q E < S-C 21 0A 127 -3,-2.0 -3,-2.8 -5,-0.0 -1,-0.2 -0.947 72.8-115.8-116.4 140.6 20.6 -9.7 -1.2 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.494 43.3 170.3 -71.2 133.0 21.0 -7.5 1.8 26 32 A M E -C 19 0A 42 -7,-2.4 -7,-2.4 -2,-0.2 2,-0.6 -0.998 35.8-127.7-142.2 144.9 20.0 -3.8 1.1 27 33 A T E -C 18 0A 30 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.815 30.7-155.5 -85.9 126.1 19.4 -0.7 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.5 -0.889 7.4-156.8-103.5 134.4 16.0 0.7 2.3 29 35 A R E -Cd 16 77A 21 47,-3.8 49,-1.3 -2,-0.4 -13,-0.2 -0.951 30.0-115.8-105.4 125.9 15.1 4.4 2.7 30 36 A L E > - d 0 78A 2 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.410 30.5-119.6 -63.1 128.2 11.3 4.9 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.2 49,-0.1 -2,-0.2 71,-0.1 -0.405 84.8 6.8 -64.6 143.7 9.7 6.9 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.8 1,-0.2 2,-0.3 0.432 107.4 92.8 74.0 7.3 8.0 10.2 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.877 50.6-160.0-129.1 161.5 8.8 10.6 4.5 34 40 A D E -H 98 0B 52 64,-1.9 64,-2.2 -2,-0.3 3,-0.0 -0.922 10.5-167.4-139.6 113.7 11.3 12.2 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.713 36.4 -98.7 -85.8 151.4 11.8 11.0 10.4 36 42 A P - 0 0 20 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.346 48.4-100.2 -61.6 147.3 13.8 13.0 12.9 37 43 A E > - 0 0 89 1,-0.1 3,-3.0 -24,-0.1 6,-0.3 -0.391 36.6-103.6 -67.0 155.3 17.4 11.7 13.2 38 50 A F T 3 S+ 0 0 136 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.832 123.4 55.6 -53.0 -33.7 17.9 9.5 16.3 39 51 A N T 3 S+ 0 0 133 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.264 100.3 74.9 -82.1 7.7 19.7 12.4 17.9 40 52 A E S X S- 0 0 103 -3,-3.0 3,-2.3 1,-0.1 2,-0.0 -0.732 99.3 -68.8-114.4 167.7 16.7 14.8 17.5 41 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.334 123.6 8.4 -58.8 131.9 13.4 15.3 19.2 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.3 -7,-0.1 -1,-0.3 0.438 99.0 115.3 69.9 1.3 11.0 12.3 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.4 -6,-0.3 -5,-0.2 0.960 76.3 42.6 -62.0 -55.9 14.0 10.6 16.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.869 114.8 52.4 -56.7 -41.2 14.2 7.7 19.3 45 57 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.903 109.5 48.1 -66.9 -40.1 10.4 7.4 19.1 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.942 111.8 49.9 -60.3 -46.9 10.3 7.2 15.4 47 59 A S H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 112.4 48.0 -56.6 -46.1 13.1 4.6 15.5 48 60 A A H X S+ 0 0 54 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.880 110.1 52.1 -63.2 -41.9 11.2 2.5 18.0 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 112.9 42.4 -61.5 -52.5 8.0 2.7 16.1 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.918 114.1 54.0 -57.9 -43.3 9.5 1.5 12.8 51 63 A K H X S+ 0 0 96 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.926 111.2 43.7 -61.2 -49.2 11.4 -1.2 14.7 52 64 A K H X S+ 0 0 140 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.915 112.9 52.9 -62.0 -42.8 8.3 -2.6 16.4 53 65 A M H X S+ 0 0 34 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.921 117.2 34.5 -64.6 -44.9 6.3 -2.5 13.3 54 66 A V H < S+ 0 0 2 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.825 117.7 52.0 -81.5 -34.4 8.8 -4.4 11.1 55 67 A E H < S+ 0 0 89 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.889 111.4 47.5 -66.2 -38.6 10.0 -6.8 13.9 56 68 A N H < S+ 0 0 102 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.698 90.6 106.6 -76.1 -18.0 6.5 -7.8 14.8 57 69 A A < - 0 0 10 -4,-0.7 3,-0.1 -5,-0.2 -3,-0.0 -0.278 55.8-159.0 -65.6 145.4 5.4 -8.4 11.2 58 70 A K S S+ 0 0 188 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.769 86.8 33.1 -87.9 -27.1 5.0 -12.0 10.0 59 71 A K - 0 0 118 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.993 68.6-165.8-136.5 120.9 5.4 -10.8 6.5 60 72 A E E -AE 6 82A 25 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.924 13.9-179.7-103.5 140.6 7.6 -7.9 5.2 61 73 A E E -AE 5 81A 25 20,-2.1 20,-2.3 -2,-0.4 2,-0.4 -0.967 16.7-148.0-135.3 152.9 7.1 -6.6 1.7 62 74 A V E -AE 4 80A 0 -58,-3.2 -58,-2.5 -2,-0.3 2,-0.5 -0.945 8.0-166.0-118.5 144.7 8.6 -3.9 -0.5 63 75 A E E -AE 3 79A 6 16,-2.4 16,-2.8 -2,-0.4 2,-0.2 -0.951 8.7-153.8-130.9 114.7 6.9 -1.9 -3.1 64 76 A F E - E 0 78A 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.501 11.9-134.4 -82.8 154.6 8.8 0.2 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.172 35.4 -90.0 -90.9-167.3 7.4 3.3 -7.2 66 78 A K S S+ 0 0 176 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.583 102.8 46.2 -82.3 -16.1 7.6 4.1 -10.9 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.154 105.4 -2.1-107.9-138.3 10.9 6.0 -10.8 68 80 A Q - 0 0 113 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.229 48.1-167.9 -64.4 135.6 14.3 5.6 -9.3 69 81 A R S S+ 0 0 125 1,-0.2 8,-2.0 -3,-0.1 2,-0.3 0.526 72.7 38.0-101.7 -9.1 14.7 2.5 -7.2 70 82 A T B S-F 76 0A 78 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.991 76.3-137.0-138.4 143.5 18.0 3.3 -5.5 71 83 A D > - 0 0 21 4,-2.7 3,-2.6 -2,-0.3 -2,-0.0 -0.383 42.4 -84.5 -91.9-178.0 19.2 6.7 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.673 129.9 54.3 -61.9 -16.7 22.7 8.2 -4.7 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.404 120.6-106.9 -93.6 -0.7 23.9 6.3 -1.6 74 86 A G S < S+ 0 0 51 -3,-2.6 2,-0.3 1,-0.3 -47,-0.3 0.589 72.5 145.0 83.7 7.6 22.7 2.9 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.659 53.7-117.1 -76.3 138.0 19.7 2.8 -0.6 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.8 -2,-0.3 2,-0.5 -0.420 22.1-144.0 -68.2 147.9 16.6 1.2 -2.1 77 89 A L E +d 29 0A 19 -8,-2.0 -12,-0.5 -49,-0.2 2,-0.3 -0.968 43.1 128.0-120.2 111.6 13.6 3.6 -2.3 78 90 A A E -dE 30 64A 0 -49,-1.3 -47,-2.2 -2,-0.5 2,-0.5 -0.960 61.9-102.1-152.0 165.8 10.4 1.8 -1.5 79 91 A Y E - E 0 63A 0 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.4 -0.877 42.1-148.3 -90.2 131.6 7.2 1.7 0.4 80 92 A I E - E 0 62A 2 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.870 10.7-163.0-110.2 132.5 7.6 -0.9 3.1 81 93 A Y E -GE 86 61A 15 -20,-2.3 -20,-2.1 -2,-0.4 2,-0.5 -0.961 8.6-162.6-118.7 134.9 4.6 -3.0 4.4 82 94 A A E > S-GE 85 60A 6 3,-2.9 3,-2.0 -2,-0.4 -22,-0.2 -0.978 85.6 -20.4-115.6 115.4 4.4 -5.0 7.6 83 95 A D T 3 S- 0 0 79 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.910 130.9 -50.3 47.7 46.8 1.6 -7.5 7.5 84 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.397 114.9 116.0 79.3 -3.9 -0.0 -5.5 4.7 85 97 A K E < -G 82 0A 146 -3,-2.0 -3,-2.9 4,-0.0 2,-0.4 -0.862 68.6-121.1-103.3 130.9 0.2 -2.1 6.6 86 98 A M E > -G 81 0A 8 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.535 13.7-159.3 -77.4 121.3 2.4 0.6 5.1 87 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.5 -2,-0.4 5,-0.3 0.917 92.4 56.8 -62.6 -44.1 5.2 1.7 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.919 111.8 41.3 -52.2 -49.7 5.6 5.0 5.6 89 101 A E H > S+ 0 0 63 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.894 112.2 54.7 -68.7 -41.8 1.9 5.9 6.1 90 102 A A H X S+ 0 0 21 -4,-2.1 4,-1.7 2,-0.2 6,-0.2 0.906 106.4 51.3 -61.2 -41.3 1.8 4.7 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.8 0.926 114.6 43.6 -60.1 -46.7 4.8 6.9 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.2 -5,-0.3 -2,-0.2 0.944 109.9 55.8 -67.2 -41.4 3.1 9.9 9.1 93 105 A R H 3<5S+ 0 0 62 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.7 47.8 -61.4 -28.7 -0.3 9.0 10.6 94 106 A Q T 3<5S- 0 0 73 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.309 115.0-112.5 -92.5 6.5 1.3 9.0 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.2 32,-2.4 2,-0.2 -3,-0.2 0.780 87.4 116.4 65.0 27.5 3.1 12.3 13.7 96 108 A L S - 0 0 152 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.810 34.9 -96.6 -97.7 140.0 10.1 13.8 -6.3 104 116 A K T 3 S+ 0 0 213 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.185 108.1 16.4 -50.2 134.6 8.2 13.7 -9.6 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -39,-0.3 1,-0.1 -1,-0.2 0.403 116.6 69.8 77.3 -5.0 7.5 10.1 -10.8 106 118 A N S < S+ 0 0 10 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.371 76.4 89.5-123.6 51.0 8.3 8.5 -7.4 107 119 A N > + 0 0 53 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.068 33.7 132.2-139.1 29.4 5.2 9.9 -5.7 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.886 82.5 41.3 -49.2 -43.9 2.3 7.4 -6.2 109 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.173 81.7 113.1 -95.9 18.9 1.3 7.4 -2.5 110 122 A E H <> S+ 0 0 33 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.941 78.0 43.1 -56.8 -50.7 1.7 11.2 -2.0 111 123 A Q H > S+ 0 0 130 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.898 111.8 53.9 -70.1 -36.0 -1.9 12.1 -1.4 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 113.0 45.4 -57.2 -43.7 -2.5 9.1 0.9 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.896 109.6 52.1 -72.4 -38.8 0.4 10.2 3.0 114 126 A R H X S+ 0 0 96 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.851 107.5 54.3 -66.0 -33.2 -0.6 13.9 3.0 115 127 A K H X S+ 0 0 133 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.937 109.1 48.3 -65.6 -39.5 -4.1 12.8 4.2 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.898 110.0 52.1 -65.1 -41.5 -2.4 10.9 7.1 117 129 A E H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 106.6 53.1 -61.8 -42.7 -0.3 14.0 7.9 118 130 A A H X S+ 0 0 56 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.900 110.9 47.3 -59.4 -42.6 -3.4 16.3 8.1 119 131 A Q H X S+ 0 0 72 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.937 112.2 48.2 -64.1 -48.5 -5.0 13.9 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.859 114.5 47.7 -58.1 -41.1 -1.9 13.6 12.8 121 133 A K H ><5S+ 0 0 75 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.883 109.3 51.6 -68.8 -39.5 -1.6 17.4 12.7 122 134 A K H 3<5S+ 0 0 187 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.900 112.3 48.0 -62.5 -39.3 -5.3 17.8 13.5 123 135 A E T 3<5S- 0 0 101 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.470 108.6-129.6 -76.9 -2.2 -4.7 15.5 16.5 124 136 A K T < 5 + 0 0 133 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.891 44.2 178.4 53.8 43.3 -1.6 17.4 17.5 125 137 A L > < - 0 0 44 -5,-2.6 3,-2.6 3,-0.1 2,-0.2 -0.647 44.1 -54.3 -87.9 130.6 0.4 14.2 17.6 126 138 A N G > S+ 0 0 53 -2,-0.4 3,-2.2 1,-0.3 -30,-0.2 -0.216 135.0 24.5 53.9-106.8 4.0 14.0 18.4 127 139 A I G 3 S+ 0 0 41 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.800 126.4 53.4 -62.9 -23.0 5.9 16.3 16.1 128 140 A W G < 0 0 54 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.312 360.0 360.0 -91.7 6.8 2.7 18.3 15.6 129 141 A S < 0 0 100 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.711 360.0 360.0 -84.1 360.0 2.4 18.7 19.4