==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-10 3MXP . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.9 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 . 31 24.0 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 . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.9 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 2 0 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 3 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 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 69 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.2 2.3 -0.7 -8.1 2 8 A H - 0 0 153 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.946 360.0-131.8-130.8 137.4 3.2 -4.2 -6.8 3 9 A K E -A 63 0A 100 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.682 28.0-169.7 -84.3 135.1 4.1 -5.6 -3.4 4 10 A E E -A 62 0A 49 58,-2.5 58,-2.4 -2,-0.4 -2,-0.0 -0.926 25.2 -97.8-124.3 153.1 7.2 -7.8 -3.4 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.282 45.6 155.1 -72.7 151.3 8.6 -10.1 -0.7 6 12 A A E -A 60 0A 12 54,-1.4 54,-0.6 15,-0.1 2,-0.3 -0.945 27.7-138.0-157.7 162.0 11.4 -9.1 1.7 7 13 A T E -D 20 0B 82 13,-1.6 13,-3.4 -2,-0.3 2,-0.2 -0.980 29.2-102.8-126.2 151.2 12.6 -10.1 5.1 8 14 A L E +D 19 0B 53 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.461 34.6 170.5 -67.0 128.2 13.9 -8.0 8.0 9 15 A I E - 0 0 78 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.761 69.2 -28.1 -93.0 -51.1 17.6 -7.9 8.5 10 16 A K E -D 18 0B 125 8,-2.0 8,-2.9 0, 0.0 -1,-0.3 -0.952 54.8-115.9-165.6 134.7 17.7 -5.1 11.1 11 17 A A E +D 17 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.390 32.7 174.3 -58.1 145.7 15.9 -1.9 12.1 12 18 A I - 0 0 69 4,-0.9 2,-0.2 1,-0.5 5,-0.2 0.561 50.0 -46.9-120.0 -68.2 18.0 1.2 11.7 13 19 A D S S- 0 0 24 3,-1.8 -1,-0.5 37,-0.1 3,-0.5 -0.748 74.4 -58.4-152.5-162.1 16.0 4.3 12.4 14 20 A G S S+ 0 0 1 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.876 129.7 18.0 -57.3 -43.4 12.7 6.0 11.6 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.240 117.4 63.1-121.0 13.2 13.0 6.1 7.9 16 22 A T E + E 0 29B 14 -3,-0.5 -3,-1.8 13,-0.2 -4,-0.9 -0.977 52.6 169.8-133.3 152.5 15.6 3.5 7.0 17 23 A V E -DE 11 28B 7 11,-1.7 11,-3.3 -2,-0.3 2,-0.6 -0.982 32.5-120.8-157.3 147.2 15.7 -0.2 7.5 18 24 A K E +DE 10 27B 68 -8,-2.9 -9,-2.9 -2,-0.3 -8,-2.0 -0.853 41.0 167.0 -99.7 121.3 17.9 -3.1 6.4 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.2 -2,-0.6 2,-0.6 -0.945 38.8-121.0-128.9 152.1 16.0 -5.8 4.5 20 26 A M E +DE 7 25B 79 -13,-3.4 -13,-1.6 -2,-0.3 2,-0.4 -0.867 35.9 179.3 -94.5 123.3 16.8 -8.8 2.4 21 27 A Y E > - E 0 24B 25 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.984 68.9 -8.3-131.2 126.2 15.3 -8.2 -1.1 22 28 A K T 3 S- 0 0 160 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.843 131.7 -57.5 47.1 35.6 15.7 -10.8 -3.9 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.525 116.9 108.8 85.2 8.5 18.1 -12.5 -1.6 24 30 A Q E < S-E 21 0B 125 -3,-2.0 -3,-2.6 -5,-0.0 -1,-0.2 -0.941 71.0-116.3-126.0 135.8 20.4 -9.5 -1.2 25 31 A P E +E 20 0B 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.504 44.7 166.2 -65.9 125.9 21.0 -7.3 1.9 26 32 A M E -E 19 0B 41 -7,-2.2 -7,-2.6 -2,-0.2 2,-0.5 -0.993 37.4-128.3-141.8 149.9 20.0 -3.7 1.2 27 33 A T E -E 18 0B 31 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.854 29.5-154.4 -90.0 126.6 19.3 -0.6 3.2 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-1.7 -2,-0.5 2,-0.5 -0.867 7.0-155.1-102.8 134.8 15.9 0.9 2.3 29 35 A R E -Ef 16 77B 21 47,-3.5 49,-1.5 -2,-0.4 2,-0.2 -0.971 30.2-116.4-102.8 128.3 15.0 4.6 2.6 30 36 A L E > - f 0 78B 5 -15,-2.6 3,-1.0 -2,-0.5 49,-0.2 -0.432 31.5-118.1 -67.6 125.7 11.2 5.1 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.362 85.0 5.5 -60.1 141.8 9.7 7.1 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.490 107.7 91.9 73.8 9.9 8.0 10.4 0.7 33 39 A V E < -H 99 0C 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.888 50.5-159.2-131.7 165.6 8.8 10.9 4.4 34 40 A D E -H 98 0C 54 64,-1.7 64,-2.1 -2,-0.3 3,-0.0 -0.918 10.2-168.7-143.2 115.6 11.4 12.4 6.7 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.698 37.0 -96.6 -91.8 156.1 11.8 11.2 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.386 47.8-100.6 -65.8 149.0 13.9 13.2 12.7 37 43 A E > - 0 0 92 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.297 36.9-104.3 -65.0 153.3 17.5 11.9 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.855 122.5 57.4 -48.9 -34.6 18.0 9.8 16.2 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.503 100.1 75.0 -76.8 -6.6 19.9 12.7 17.8 40 52 A E S X S- 0 0 95 -3,-2.4 3,-2.1 1,-0.1 2,-0.1 -0.558 99.2 -69.1-105.3 172.5 16.9 15.1 17.3 41 53 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.358 122.3 7.5 -64.4 136.3 13.5 15.6 19.0 42 54 A Y T 3> S+ 0 0 46 -4,-0.1 4,-2.7 -7,-0.1 -1,-0.3 0.372 98.6 113.5 64.5 -1.0 11.2 12.7 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.8 -6,-0.3 5,-0.2 0.953 77.6 45.1 -60.2 -51.0 14.1 10.8 16.6 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 114.5 49.1 -63.8 -34.7 14.2 8.1 19.3 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.893 111.6 48.8 -70.9 -40.2 10.4 7.8 19.2 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.940 112.7 48.6 -60.6 -47.0 10.4 7.6 15.4 47 59 A S H X S+ 0 0 17 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.941 112.9 48.1 -56.0 -45.2 13.1 4.9 15.5 48 60 A A H X S+ 0 0 39 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.909 112.2 48.5 -64.9 -42.5 11.2 3.0 18.2 49 61 A F H X S+ 0 0 62 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 113.6 45.7 -63.2 -48.0 8.0 3.1 16.3 50 62 A A H X S+ 0 0 8 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.858 113.6 50.6 -64.6 -37.5 9.5 2.0 13.0 51 63 A K H X S+ 0 0 83 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.936 110.1 48.9 -65.1 -50.1 11.5 -0.8 14.8 52 64 A K H X S+ 0 0 96 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.932 110.7 53.0 -54.4 -46.2 8.4 -2.2 16.6 53 65 A M H < S+ 0 0 29 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.920 116.6 34.0 -59.7 -48.1 6.5 -2.2 13.3 54 66 A V H < S+ 0 0 7 -4,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.825 117.4 53.5 -80.9 -31.3 9.0 -4.2 11.3 55 67 A E H < S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.860 111.6 45.8 -73.1 -34.0 10.1 -6.5 14.2 56 68 A N S < S+ 0 0 129 -4,-2.3 -1,-0.2 -5,-0.3 2,-0.2 0.586 91.1 107.7 -81.2 -12.9 6.6 -7.5 15.0 57 69 A A - 0 0 20 -4,-0.4 3,-0.2 -3,-0.3 -49,-0.1 -0.482 51.9-163.8 -74.6 137.8 5.6 -8.2 11.4 58 70 A K S S+ 0 0 198 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.730 86.3 34.3 -78.7 -29.5 5.1 -11.7 10.2 59 71 A K - 0 0 104 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.954 66.9-170.6-136.1 113.2 5.3 -10.4 6.6 60 72 A I E -AB 6 82A 11 -54,-0.6 -54,-1.4 -2,-0.4 2,-0.3 -0.868 12.1-174.1 -97.2 139.1 7.4 -7.6 5.2 61 73 A E E -AB 5 81A 31 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.976 15.3-146.9-131.9 151.3 6.8 -6.3 1.7 62 74 A V E -AB 4 80A 0 -58,-2.4 -58,-2.5 -2,-0.3 2,-0.5 -0.935 11.2-170.0-114.4 132.5 8.6 -3.8 -0.5 63 75 A E E -AB 3 79A 10 16,-2.6 16,-3.1 -2,-0.4 2,-0.2 -0.956 8.2-156.1-126.3 112.1 6.7 -1.7 -3.1 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.1 -0.506 11.8-135.8 -80.7 154.2 8.7 0.3 -5.6 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.175 37.1 -85.7 -90.4-165.6 7.2 3.4 -7.2 66 78 A K S S+ 0 0 164 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.644 103.8 45.4 -82.3 -17.8 7.4 4.2 -10.9 67 79 A G S S- 0 0 31 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.179 104.9 -3.7-105.0-142.2 10.8 6.0 -10.9 68 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.228 46.7-169.1 -59.2 135.7 14.2 5.6 -9.4 69 81 A R S S+ 0 0 125 1,-0.2 8,-2.3 -3,-0.1 2,-0.3 0.486 73.3 43.7-104.7 -11.8 14.5 2.5 -7.2 70 82 A T B S-G 76 0B 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.991 75.7-142.6-131.4 138.9 17.9 3.3 -5.7 71 83 A D > - 0 0 22 4,-2.5 3,-2.1 -2,-0.3 -2,-0.1 -0.329 42.1 -85.3 -92.7-175.9 19.1 6.7 -4.5 72 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.591 129.6 54.2 -68.0 -9.3 22.6 8.2 -4.9 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.201 120.1-107.7-102.5 6.3 23.7 6.4 -1.7 74 86 A G S < S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.552 71.7 145.5 72.8 5.3 22.6 3.0 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.625 54.6-115.1 -64.3 137.3 19.6 2.9 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.5 -2,-0.3 2,-0.6 -0.501 24.1-142.3 -66.6 146.4 16.5 1.2 -2.1 77 89 A L E +f 29 0B 20 -8,-2.3 -12,-0.4 -49,-0.2 2,-0.3 -0.941 44.5 124.9-113.4 114.5 13.6 3.7 -2.4 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.2 -2,-0.6 2,-0.5 -0.978 63.4-100.4-156.7 169.4 10.3 2.1 -1.6 79 91 A Y E -B 63 0A 0 -16,-3.1 -16,-2.6 -2,-0.3 2,-0.5 -0.876 42.8-149.7 -94.2 131.0 7.1 1.9 0.4 80 92 A I E -B 62 0A 2 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.907 9.4-161.3-107.7 130.2 7.5 -0.7 3.1 81 93 A Y E -BC 61 86A 16 -20,-3.0 -20,-2.1 -2,-0.5 2,-0.5 -0.889 8.4-163.1-116.1 140.2 4.6 -2.7 4.4 82 94 A A E > S-BC 60 85A 5 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.980 83.9 -23.9-119.7 109.4 4.4 -4.7 7.7 83 95 A D T 3 S- 0 0 81 -24,-3.0 -23,-0.1 -2,-0.5 -1,-0.1 0.888 129.6 -49.4 52.8 41.0 1.5 -7.2 7.7 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.340 115.9 112.9 88.8 -7.8 -0.2 -5.1 5.1 85 97 A K E < -C 82 0A 138 -3,-1.9 -3,-2.9 4,-0.0 2,-0.4 -0.850 69.7-121.0-101.6 131.4 0.1 -1.7 6.8 86 98 A M E > -C 81 0A 5 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.505 13.0-157.5 -76.3 123.8 2.4 0.9 5.3 87 99 A V H > S+ 0 0 4 -7,-3.4 4,-2.4 -2,-0.4 5,-0.2 0.907 93.7 56.1 -64.4 -42.5 5.2 2.0 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.951 112.5 42.1 -54.5 -52.3 5.7 5.2 5.6 89 101 A E H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.907 111.5 54.0 -60.9 -45.1 2.0 6.1 6.2 90 102 A A H X S+ 0 0 16 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.901 107.4 50.6 -61.9 -38.2 1.9 5.0 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 6,-0.8 0.938 113.6 45.8 -63.2 -49.6 4.9 7.2 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.933 110.1 53.6 -61.2 -44.6 3.2 10.2 9.1 93 105 A R H 3<5S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.7 50.0 -62.9 -29.0 -0.2 9.4 10.7 94 106 A Q T 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.377 115.1-113.9 -87.4 4.6 1.4 9.4 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.4 2,-0.2 -3,-0.2 0.803 87.8 116.2 65.5 28.4 3.3 12.7 13.7 96 108 A L S - 0 0 151 -2,-1.1 3,-2.0 3,-0.4 -3,-0.0 -0.764 35.7 -95.0-100.2 141.3 10.1 13.9 -6.4 104 116 A K T 3 S+ 0 0 210 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.220 108.9 15.6 -54.6 136.5 8.1 13.8 -9.7 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -38,-0.4 1,-0.1 -1,-0.3 0.452 115.8 69.6 75.8 -3.2 7.3 10.2 -10.8 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.377 76.6 91.8-123.8 50.5 8.1 8.5 -7.4 107 119 A N > + 0 0 54 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.093 34.6 130.0-135.4 30.5 5.1 10.1 -5.8 108 120 A T T 3 S+ 0 0 69 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.882 82.4 39.2 -53.2 -46.2 2.2 7.6 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.170 82.6 112.1 -94.1 20.4 1.2 7.6 -2.5 110 122 A E H <> S+ 0 0 37 -3,-1.9 4,-3.1 2,-0.2 5,-0.2 0.955 78.5 44.8 -57.4 -52.2 1.7 11.4 -2.0 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.927 111.8 53.4 -66.5 -35.3 -2.0 12.3 -1.5 112 124 A L H > S+ 0 0 73 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.928 113.2 44.1 -58.1 -47.9 -2.5 9.3 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.901 110.4 53.1 -69.0 -37.4 0.4 10.4 3.0 114 126 A R H X S+ 0 0 93 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.885 106.6 54.5 -63.8 -30.5 -0.6 14.1 3.0 115 127 A K H X S+ 0 0 131 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.936 109.1 47.6 -70.0 -36.7 -4.0 13.1 4.2 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.890 109.7 52.7 -68.6 -40.4 -2.4 11.3 7.1 117 129 A E H X S+ 0 0 26 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.936 107.0 53.2 -58.9 -38.9 -0.2 14.2 7.9 118 130 A A H X S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 110.3 47.4 -65.6 -40.3 -3.3 16.5 8.0 119 131 A Q H X S+ 0 0 66 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.939 111.9 49.5 -65.8 -46.5 -4.9 14.1 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -1,-0.2 0.879 112.2 48.8 -56.3 -42.1 -1.8 14.0 12.6 121 133 A K H ><5S+ 0 0 103 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.892 107.8 55.0 -64.1 -41.2 -1.5 17.8 12.6 122 134 A K H 3<5S+ 0 0 161 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.922 111.0 43.8 -62.2 -44.1 -5.2 18.1 13.5 123 135 A E T 3<5S- 0 0 101 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.400 110.1-125.7 -82.5 7.0 -4.7 15.9 16.6 124 136 A K T < 5 - 0 0 140 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.903 43.4-178.0 52.4 47.4 -1.5 17.8 17.4 125 137 A L > < - 0 0 38 -5,-2.4 3,-2.9 3,-0.1 2,-0.2 -0.633 43.6 -57.8 -85.6 131.9 0.6 14.6 17.6 126 138 A N G > S+ 0 0 52 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.156 135.5 28.4 50.4-104.1 4.3 14.4 18.5 127 139 A I G 3 S+ 0 0 44 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.858 128.5 47.3 -56.6 -33.5 6.0 16.6 15.9 128 140 A W G < 0 0 50 -3,-2.9 -1,-0.3 -33,-0.1 -2,-0.2 0.256 360.0 360.0 -92.5 9.7 2.8 18.7 15.6 129 141 A S < 0 0 97 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 -0.386 360.0 360.0 -80.7 360.0 2.3 19.0 19.4