==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-13 4K5V . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 70.5 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 . 32 24.8 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 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 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 69 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 165.9 2.4 -1.1 -8.1 2 8 A H - 0 0 154 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.986 360.0-127.9-137.5 136.3 3.2 -4.6 -6.8 3 9 A K E -A 63 0A 90 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.595 27.6-167.8 -82.1 140.3 4.3 -5.9 -3.4 4 10 A E E -A 62 0A 44 58,-2.7 58,-2.9 -2,-0.3 2,-0.0 -0.949 24.6 -97.3-127.5 153.6 7.3 -8.2 -3.4 5 11 A P E +A 61 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.300 45.0 155.4 -70.6 146.9 8.8 -10.4 -0.7 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.945 27.3-139.8-152.7 164.5 11.6 -9.4 1.7 7 13 A T E - B 0 20A 82 13,-1.6 13,-3.3 -2,-0.3 2,-0.2 -0.974 29.4-101.9-127.9 152.0 12.8 -10.5 5.1 8 14 A L E + B 0 19A 52 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.481 34.6 170.6 -68.0 133.7 14.1 -8.4 8.0 9 15 A I E - 0 0 77 9,-3.1 2,-0.3 1,-0.2 10,-0.2 0.762 69.8 -31.0 -99.7 -52.8 17.8 -8.3 8.6 10 16 A K E - B 0 18A 127 8,-1.8 8,-2.9 0, 0.0 -1,-0.2 -0.940 53.5-111.4-166.0 143.4 17.7 -5.5 11.1 11 17 A A E + B 0 17A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.415 32.9 171.8 -62.1 143.3 15.9 -2.3 12.2 12 18 A I - 0 0 84 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.590 53.6 -42.5-117.8 -70.7 18.0 0.8 11.6 13 19 A D S S- 0 0 22 3,-2.3 -1,-0.5 33,-0.1 3,-0.3 -0.708 74.5 -63.0-148.4-161.9 15.9 3.9 12.3 14 20 A G S S+ 0 0 1 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.861 130.4 19.0 -60.9 -40.3 12.5 5.4 11.6 15 21 A D S S+ 0 0 6 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.313 117.5 66.0-117.5 9.1 12.8 5.5 7.9 16 22 A T E + C 0 29A 10 -3,-0.3 -3,-2.3 13,-0.2 -4,-1.1 -0.999 52.5 169.2-129.7 141.9 15.6 3.0 7.1 17 23 A T E -BC 11 28A 2 11,-2.0 11,-3.0 -2,-0.4 2,-0.6 -0.997 33.8-122.7-145.6 142.9 15.7 -0.8 7.6 18 24 A K E +BC 10 27A 65 -8,-2.9 -9,-3.1 -2,-0.3 -8,-1.8 -0.774 42.3 170.4 -87.3 119.2 18.0 -3.5 6.5 19 25 A L E -BC 8 26A 0 7,-2.8 7,-2.5 -2,-0.6 2,-0.6 -0.929 37.4-122.8-127.1 152.0 16.1 -6.1 4.5 20 26 A M E +BC 7 25A 80 -13,-3.3 -13,-1.6 -2,-0.3 2,-0.4 -0.870 35.1 179.5 -91.6 124.9 16.9 -9.1 2.4 21 27 A Y E > -BC 6 24A 23 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.987 68.4 -8.6-134.1 128.2 15.4 -8.6 -1.1 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.857 131.7 -56.4 43.6 40.9 15.9 -11.2 -3.9 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.550 117.8 106.6 81.0 5.2 18.3 -12.9 -1.6 24 30 A Q E < S-C 21 0A 124 -3,-2.1 -3,-2.6 -5,-0.0 2,-0.2 -0.949 72.2-115.4-123.7 142.1 20.6 -9.9 -1.1 25 31 A P E +C 20 0A 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.514 44.4 166.7 -71.9 134.7 21.1 -7.7 1.9 26 32 A M E -C 19 0A 38 -7,-2.5 -7,-2.8 -2,-0.2 2,-0.6 -0.995 37.5-126.5-145.9 147.5 20.0 -4.1 1.2 27 33 A T E -C 18 0A 33 -2,-0.3 49,-2.5 47,-0.3 2,-0.5 -0.888 30.3-154.3 -91.3 130.0 19.3 -1.0 3.2 28 34 A F E -Cd 17 76A 0 -11,-3.0 -11,-2.0 -2,-0.6 2,-0.5 -0.899 5.9-157.0-107.6 130.0 15.8 0.4 2.3 29 35 A R E -Cd 16 77A 22 47,-3.7 49,-1.6 -2,-0.5 2,-0.3 -0.917 28.4-117.0-102.3 131.4 14.9 4.0 2.7 30 36 A A E > - d 0 78A 2 -15,-2.7 3,-1.0 -2,-0.5 49,-0.2 -0.459 31.7-118.4 -74.6 127.7 11.1 4.6 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.3 71,-0.1 -0.290 84.3 7.8 -61.3 143.2 9.6 6.7 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.465 107.4 91.1 71.1 12.8 7.9 10.0 0.6 33 39 A V E < -H 99 0B 0 -3,-1.0 2,-0.4 66,-0.3 66,-0.2 -0.889 51.6-158.4-135.0 164.8 8.8 10.5 4.3 34 40 A D E -H 98 0B 55 64,-1.8 64,-2.2 -2,-0.3 3,-0.1 -0.920 10.0-167.9-142.0 112.2 11.4 11.9 6.7 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.711 37.1 -97.5 -84.5 154.7 11.7 10.8 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.313 47.6-100.3 -64.4 147.6 13.9 12.8 12.7 37 43 A E > - 0 0 90 1,-0.1 3,-2.8 -24,-0.1 6,-0.3 -0.393 38.2-101.7 -65.8 158.9 17.4 11.4 13.1 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.825 123.6 56.2 -54.3 -30.1 17.9 9.4 16.2 39 51 A N T 3 S+ 0 0 142 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.489 97.9 76.3 -85.1 -1.0 19.6 12.3 17.8 40 52 A E S X S- 0 0 107 -3,-2.8 3,-2.3 1,-0.1 0, 0.0 -0.575 100.1 -70.2-103.6 171.4 16.7 14.8 17.3 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.342 123.2 9.4 -63.1 134.6 13.4 15.2 19.1 42 54 A Y T 3> S+ 0 0 45 -4,-0.1 4,-2.4 1,-0.1 -1,-0.3 0.398 96.5 113.5 69.9 0.4 11.1 12.2 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.8 -6,-0.3 -5,-0.2 0.944 78.3 45.7 -65.2 -48.1 14.0 10.3 16.6 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.905 114.7 49.0 -61.2 -40.2 14.1 7.6 19.2 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 111.3 48.9 -64.9 -41.9 10.3 7.3 19.1 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.954 113.8 46.9 -65.1 -44.6 10.3 7.1 15.3 47 59 A S H X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.921 112.8 49.3 -60.8 -46.3 13.1 4.4 15.4 48 60 A A H X S+ 0 0 55 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.883 109.4 52.3 -58.3 -39.9 11.2 2.5 18.1 49 61 A F H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 112.7 42.4 -64.6 -49.9 7.9 2.5 16.2 50 62 A T H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.914 112.0 56.2 -65.0 -40.8 9.4 1.2 12.9 51 63 A K H X S+ 0 0 96 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.922 108.4 47.0 -56.5 -45.3 11.4 -1.4 14.9 52 64 A K H X S+ 0 0 137 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.936 112.8 49.8 -65.7 -43.1 8.3 -2.8 16.5 53 65 A M H X S+ 0 0 29 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.934 117.5 38.2 -57.6 -52.0 6.4 -2.9 13.2 54 66 A V H < S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 117.7 47.8 -75.3 -36.2 9.2 -4.7 11.3 55 67 A E H < S+ 0 0 96 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.834 114.6 46.0 -72.4 -33.3 10.3 -7.1 14.1 56 68 A N H < S+ 0 0 98 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.670 91.3 107.3 -81.1 -20.0 6.7 -8.2 15.0 57 69 A A < - 0 0 17 -4,-0.9 3,-0.2 -5,-0.2 -3,-0.0 -0.387 53.1-162.1 -63.1 134.6 5.7 -8.7 11.3 58 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.802 86.2 30.3 -76.6 -28.4 5.2 -12.2 10.0 59 71 A K - 0 0 118 -52,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.986 67.6-170.5-137.7 116.3 5.5 -11.0 6.5 60 72 A I E -AE 6 82A 12 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.892 12.5-178.1-102.8 141.2 7.5 -7.9 5.2 61 73 A E E -AE 5 81A 31 20,-2.0 20,-3.4 -2,-0.4 2,-0.4 -0.988 15.6-148.7-133.5 154.7 7.0 -6.7 1.7 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.7 -2,-0.4 2,-0.5 -0.927 7.1-164.0-122.0 143.7 8.5 -4.0 -0.4 63 75 A E E -AE 3 79A 13 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.956 9.0-152.0-129.4 114.6 6.8 -2.1 -3.1 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.494 12.3-135.4 -80.3 156.8 8.7 -0.1 -5.6 65 77 A D - 0 0 4 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.149 35.4 -88.4 -95.9-164.5 7.3 2.9 -7.3 66 78 A K S S+ 0 0 162 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.529 104.2 48.5 -85.3 -8.9 7.5 3.8 -11.0 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.121 106.1 -4.1-111.5-145.0 10.8 5.7 -10.9 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.272 47.6-167.4 -54.3 135.4 14.2 5.2 -9.3 69 81 A R S S+ 0 0 123 1,-0.1 8,-2.3 -3,-0.1 2,-0.3 0.532 74.6 38.6-101.2 -11.9 14.5 2.0 -7.2 70 82 A T B S-F 76 0A 73 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.990 76.4-138.2-134.5 144.0 17.8 2.9 -5.6 71 83 A D > - 0 0 22 4,-2.6 3,-2.0 -2,-0.3 -2,-0.1 -0.283 41.7 -86.4 -90.7-174.2 19.1 6.3 -4.4 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.590 128.8 55.3 -70.8 -9.6 22.6 7.8 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.341 120.9-106.7 -99.8 1.3 23.7 6.0 -1.6 74 86 A G S < S+ 0 0 49 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.536 72.5 145.7 84.7 6.1 22.6 2.5 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.613 54.3-116.3 -75.5 136.2 19.6 2.4 -0.6 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.7 -2,-0.3 2,-0.6 -0.427 24.0-143.0 -64.3 144.2 16.4 0.7 -2.1 77 89 A L E +d 29 0A 20 -8,-2.3 -12,-0.4 -49,-0.2 2,-0.3 -0.958 43.6 128.7-115.5 112.4 13.5 3.2 -2.4 78 90 A A E -d 30 0A 0 -49,-1.6 -47,-2.3 -2,-0.6 2,-0.5 -0.974 63.8-100.5-151.9 165.9 10.2 1.6 -1.5 79 91 A Y E -E 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.861 45.3-148.0 -87.8 132.1 7.0 1.5 0.4 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.5 -0.896 12.5-164.3-114.7 120.8 7.6 -1.0 3.2 81 93 A Y E -EG 61 86A 17 -20,-3.4 -20,-2.0 -2,-0.5 2,-0.5 -0.886 11.5-164.6-109.8 140.5 4.8 -3.1 4.5 82 94 A A E > S-EG 60 85A 8 3,-2.9 3,-2.3 -2,-0.4 -22,-0.2 -0.968 84.8 -23.3-119.8 110.8 4.6 -5.1 7.7 83 95 A D T 3 S- 0 0 87 -24,-3.2 -1,-0.1 -2,-0.5 -23,-0.1 0.909 129.4 -50.1 49.0 45.7 1.7 -7.7 7.7 84 96 A G T 3 S+ 0 0 42 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.387 115.1 116.7 81.4 -2.9 0.1 -5.5 5.1 85 97 A K E < -G 82 0A 118 -3,-2.3 -3,-2.9 -32,-0.1 2,-0.5 -0.874 65.8-128.4-100.2 130.7 0.4 -2.2 7.0 86 98 A M E > -G 81 0A 5 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.628 10.4-156.8 -80.3 124.2 2.6 0.4 5.3 87 99 A T H > S+ 0 0 3 -7,-3.2 4,-2.6 -2,-0.5 5,-0.3 0.879 91.9 59.7 -63.2 -37.4 5.2 1.7 7.6 88 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.940 112.3 38.0 -56.4 -52.7 5.6 4.9 5.6 89 101 A E H > S+ 0 0 58 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.897 113.9 55.3 -70.3 -38.8 1.9 5.8 6.1 90 102 A A H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.908 108.1 48.9 -62.7 -37.9 1.8 4.5 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 6,-0.7 0.953 114.7 45.0 -65.8 -46.1 4.8 6.8 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.9 3,-2.1 -5,-0.3 -2,-0.2 0.935 110.2 54.0 -65.5 -42.0 3.1 9.8 9.1 93 105 A R H 3<5S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.9 49.3 -64.1 -27.4 -0.3 9.0 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.351 116.0-112.9 -91.8 4.5 1.3 8.9 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.3 -4,-0.2 -3,-0.2 0.778 87.8 115.5 70.8 27.7 3.1 12.3 13.7 96 108 A L S - 0 0 154 -2,-1.3 3,-2.0 3,-0.4 -36,-0.1 -0.774 34.2-101.8 -97.4 138.1 10.1 13.5 -6.4 104 116 A K T 3 S+ 0 0 210 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.259 109.2 23.7 -54.1 134.8 8.0 13.4 -9.7 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -39,-0.4 1,-0.0 -38,-0.3 0.185 115.6 63.9 87.9 -23.5 7.7 9.8 -10.8 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.385 77.3 94.0-117.0 57.9 8.1 8.1 -7.4 107 119 A N > + 0 0 56 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.076 31.8 130.2-138.4 31.4 5.0 9.6 -5.8 108 120 A T T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.875 82.8 39.4 -54.6 -43.1 2.2 7.1 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.182 81.6 112.3 -97.4 18.7 1.2 7.2 -2.5 110 122 A E H <> S+ 0 0 35 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.934 78.1 45.5 -57.7 -50.3 1.6 10.9 -2.0 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.907 111.2 53.0 -65.9 -35.1 -2.0 11.8 -1.5 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 112.9 45.2 -60.2 -46.0 -2.6 8.8 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 110.4 52.5 -69.3 -40.7 0.3 10.0 3.0 114 126 A R H X S+ 0 0 94 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.860 106.2 54.8 -59.8 -38.5 -0.7 13.7 3.0 115 127 A K H X S+ 0 0 132 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.944 109.9 47.7 -60.7 -41.6 -4.2 12.6 4.2 116 128 A A H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.885 109.5 51.6 -66.7 -39.2 -2.5 10.9 7.1 117 129 A E H X S+ 0 0 26 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.920 107.2 54.0 -67.2 -37.2 -0.3 13.8 7.9 118 130 A A H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.913 110.8 46.6 -60.1 -38.6 -3.4 16.1 8.0 119 131 A Q H X S+ 0 0 74 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.955 112.0 48.8 -72.2 -47.3 -5.0 13.8 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.4 0.866 112.9 49.2 -57.4 -38.5 -1.9 13.5 12.7 121 133 A K H ><5S+ 0 0 102 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.911 107.6 53.2 -70.3 -38.1 -1.6 17.3 12.6 122 134 A K H 3<5S+ 0 0 180 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.5 47.1 -60.9 -33.8 -5.2 17.8 13.5 123 135 A E T 3<5S- 0 0 99 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.504 108.5-130.4 -84.3 -4.6 -4.6 15.5 16.5 124 136 A K T < 5 - 0 0 139 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.883 42.3-179.4 55.8 41.4 -1.5 17.4 17.4 125 137 A L > < - 0 0 42 -5,-2.4 3,-3.1 3,-0.1 -1,-0.2 -0.614 43.8 -57.1 -81.8 133.8 0.5 14.2 17.6 126 138 A N G > S+ 0 0 53 -2,-0.4 3,-1.9 1,-0.3 -30,-0.1 -0.133 135.8 28.7 50.5-105.7 4.1 14.0 18.5 127 139 A I G 3 S+ 0 0 39 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.851 127.0 49.9 -51.4 -36.5 6.0 16.1 15.9 128 140 A W G < 0 0 50 -3,-3.1 -1,-0.3 -33,-0.1 -2,-0.3 0.340 360.0 360.0 -89.1 9.3 2.8 18.2 15.6 129 141 A S < 0 0 97 -3,-1.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.138 360.0 360.0 -85.4 360.0 2.4 18.6 19.3