==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-11 3SK4 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 7 5.4 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 1 2 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 77 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 158.7 2.6 -13.8 -8.3 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.983 360.0-131.6-132.0 134.1 3.5 -17.2 -7.0 3 9 A K E -A 63 0A 89 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.628 27.0-170.4 -82.3 139.9 4.4 -18.6 -3.7 4 10 A E E -A 62 0A 41 58,-2.3 58,-2.8 -2,-0.3 2,-0.1 -0.934 24.4 -97.3-128.2 154.6 7.4 -20.9 -3.6 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.360 44.6 153.5 -73.8 149.8 8.8 -23.1 -0.8 6 12 A A E -AB 60 21A 12 54,-1.7 54,-0.7 15,-0.1 2,-0.3 -0.953 29.0-134.8-156.6 170.4 11.6 -22.3 1.5 7 13 A T E - B 0 20A 80 13,-1.4 13,-2.8 -2,-0.3 2,-0.2 -0.981 28.1-107.3-130.4 145.3 12.7 -23.2 5.0 8 14 A L E + B 0 19A 48 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.487 33.7 170.9 -67.1 135.2 14.0 -21.1 7.8 9 15 A I E S- 0 0 75 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.766 70.7 -17.4-100.1 -52.3 17.7 -21.2 8.4 10 16 A K E - B 0 18A 137 8,-2.0 8,-3.1 0, 0.0 -1,-0.3 -0.969 57.0-125.6-156.1 137.2 17.9 -18.3 10.9 11 17 A A E + B 0 17A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.479 30.6 172.0 -71.2 143.4 15.8 -15.4 12.0 12 18 A I - 0 0 82 4,-1.0 2,-0.2 1,-0.5 5,-0.2 0.578 49.5 -55.5-118.8 -72.4 17.9 -12.2 11.7 13 19 A D - 0 0 37 3,-2.2 -1,-0.5 37,-0.1 24,-0.1 -0.773 63.1 -67.0-152.2-156.9 15.7 -9.2 12.3 14 20 A G S S+ 0 0 0 22,-0.2 16,-0.1 -2,-0.2 77,-0.1 0.881 128.9 41.5 -69.1 -37.4 12.5 -7.4 11.2 15 21 A N S S+ 0 0 8 21,-0.1 15,-2.4 1,-0.1 2,-0.3 0.760 119.8 27.8 -79.6 -29.4 14.0 -6.5 7.9 16 22 A T E - C 0 29A 13 13,-0.2 -3,-2.2 2,-0.0 -4,-1.0 -0.941 51.7-174.0-143.9 153.2 15.8 -9.7 6.9 17 23 A E E -BC 11 28A 0 11,-1.8 11,-3.2 -2,-0.3 2,-0.7 -0.994 27.4-124.6-141.8 152.4 15.8 -13.5 7.4 18 24 A K E +BC 10 27A 71 -8,-3.1 -9,-2.8 -2,-0.3 -8,-2.0 -0.864 42.6 168.3 -99.2 116.8 18.1 -16.4 6.3 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.5 -2,-0.7 2,-0.6 -0.933 38.2-121.9-126.2 152.8 16.1 -18.9 4.4 20 26 A M E +BC 7 25A 80 -13,-2.8 -13,-1.4 -2,-0.3 2,-0.4 -0.842 36.0 179.1 -91.9 122.1 16.9 -21.9 2.2 21 27 A Y E > -BC 6 24A 17 3,-2.7 3,-2.2 -2,-0.6 -15,-0.1 -0.988 68.6 -8.2-133.4 128.2 15.4 -21.4 -1.2 22 28 A K T 3 S- 0 0 153 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.845 131.6 -58.5 48.8 35.9 15.8 -23.9 -4.1 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.577 117.1 105.8 82.5 3.7 18.2 -25.6 -1.7 24 30 A Q E < S-C 21 0A 127 -3,-2.2 -3,-2.7 -5,-0.0 -1,-0.2 -0.961 73.2-113.5-118.8 139.0 20.6 -22.7 -1.3 25 31 A P E +C 20 0A 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.482 43.5 170.5 -67.8 133.4 21.0 -20.5 1.8 26 32 A M E -C 19 0A 40 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.5 -0.998 35.5-127.7-138.4 150.4 20.0 -16.8 1.1 27 33 A T E -C 18 0A 36 -2,-0.3 49,-2.6 47,-0.3 2,-0.5 -0.812 31.2-154.1 -87.6 126.7 19.5 -13.7 3.1 28 34 A F E -Cd 17 76A 1 -11,-3.2 -11,-1.8 -2,-0.5 2,-0.5 -0.917 8.5-157.1-102.1 133.0 16.0 -12.2 2.2 29 35 A R E -Cd 16 77A 18 47,-3.8 49,-1.2 -2,-0.5 -13,-0.2 -0.951 29.8-118.1-103.5 121.8 15.2 -8.6 2.6 30 36 A L E > - d 0 78A 3 -15,-2.4 3,-0.9 -2,-0.5 49,-0.2 -0.422 30.1-117.4 -62.1 129.2 11.4 -8.1 2.9 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 1,-0.2 71,-0.1 -0.312 85.4 5.3 -64.9 141.6 9.8 -6.1 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.8 74,-0.2 2,-0.3 0.430 106.4 95.3 71.7 12.4 8.1 -2.7 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.865 46.5-166.0-134.2 159.1 8.9 -2.4 4.5 34 40 A D E -H 98 0B 56 64,-1.6 64,-2.2 -2,-0.3 3,-0.0 -0.906 11.1-168.2-140.3 120.2 11.4 -0.8 6.9 35 41 A T - 0 0 4 -2,-0.3 62,-0.2 62,-0.2 2,-0.1 -0.642 36.9 -95.1 -95.2 158.8 11.6 -1.8 10.5 36 42 A P - 0 0 20 0, 0.0 -22,-0.2 0, 0.0 -21,-0.1 -0.529 47.5-105.5 -67.3 148.5 13.5 0.2 13.1 37 43 A E > - 0 0 94 -2,-0.1 3,-2.2 1,-0.1 6,-0.4 -0.218 37.0 -97.0 -68.9 162.3 17.1 -1.2 13.6 38 50 A F T 3 S+ 0 0 138 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.871 125.7 51.0 -53.2 -42.9 17.8 -3.1 16.9 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.641 100.5 84.0 -63.5 -18.9 19.3 0.0 18.6 40 52 A E S X S- 0 0 102 -3,-2.2 3,-2.0 1,-0.1 2,-0.0 -0.468 98.1 -79.2 -91.5 160.6 16.2 2.1 17.6 41 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.338 119.7 9.0 -55.5 132.6 12.8 2.3 19.4 42 54 A Y T 3> S+ 0 0 43 -4,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.371 96.6 114.9 69.7 -4.8 10.7 -0.8 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.4 -5,-0.2 0.937 77.8 44.9 -55.5 -52.1 13.7 -2.4 16.9 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.909 113.9 51.2 -61.3 -40.1 13.9 -5.3 19.4 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 108.7 50.8 -65.1 -36.9 10.1 -5.7 19.3 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.947 112.4 46.6 -66.7 -43.6 10.1 -5.9 15.5 47 59 A S H X S+ 0 0 18 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.930 113.5 48.2 -62.8 -45.0 12.9 -8.6 15.6 48 60 A A H X S+ 0 0 61 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.912 111.4 50.1 -61.0 -44.2 11.1 -10.6 18.2 49 61 A F H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 114.6 44.1 -60.4 -45.7 7.8 -10.4 16.4 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.924 112.4 52.2 -61.9 -49.9 9.4 -11.6 13.1 51 63 A K H X S+ 0 0 98 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.904 112.3 45.3 -55.5 -52.0 11.4 -14.4 14.9 52 64 A K H X S+ 0 0 139 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.909 112.1 52.0 -57.3 -45.0 8.3 -15.8 16.6 53 65 A M H X S+ 0 0 34 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.925 118.3 34.7 -62.0 -42.7 6.2 -15.6 13.4 54 66 A V H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.6 51.3 -90.7 -27.5 8.8 -17.5 11.2 55 67 A E H < S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.832 112.1 47.1 -74.1 -34.4 10.1 -19.9 13.8 56 68 A N H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.631 90.9 107.7 -78.6 -16.1 6.6 -21.0 14.8 57 69 A A < - 0 0 18 -4,-0.6 3,-0.1 -5,-0.2 -3,-0.0 -0.417 56.3-158.0 -70.9 137.9 5.5 -21.5 11.2 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.834 85.5 32.0 -78.9 -29.7 5.0 -25.0 9.9 59 71 A K - 0 0 117 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.986 66.0-166.9-136.5 124.3 5.4 -23.7 6.3 60 72 A I E -AE 6 82A 12 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.922 13.3-178.9-104.2 137.6 7.5 -20.8 5.0 61 73 A E E -AE 5 81A 30 20,-2.3 20,-2.8 -2,-0.4 2,-0.4 -0.971 15.4-148.4-133.3 150.8 7.0 -19.5 1.5 62 74 A V E -AE 4 80A 0 -58,-2.8 -58,-2.3 -2,-0.3 2,-0.5 -0.934 7.4-164.8-119.0 144.2 8.6 -16.8 -0.6 63 75 A E E -AE 3 79A 8 16,-2.3 16,-2.8 -2,-0.4 -60,-0.2 -0.957 8.0-153.6-131.3 112.1 6.9 -14.8 -3.2 64 76 A F E - E 0 78A 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.484 12.9-135.3 -79.5 155.0 8.9 -12.7 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.219 35.1 -89.5 -92.8-170.5 7.5 -9.7 -7.3 66 78 A K S S+ 0 0 152 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.576 103.0 52.1 -77.1 -19.9 7.7 -8.8 -11.0 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.137 105.1 -10.3 -97.7-144.4 11.0 -6.9 -10.8 68 80 A Q - 0 0 115 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.234 48.0-162.1 -62.5 137.3 14.4 -7.4 -9.5 69 81 A R S S+ 0 0 121 1,-0.1 8,-2.0 -3,-0.1 2,-0.3 0.543 73.8 39.1 -98.2 -11.6 14.7 -10.5 -7.3 70 82 A T B S-F 76 0A 74 6,-0.3 6,-0.3 -42,-0.1 -1,-0.1 -0.992 75.8-136.6-135.1 142.9 18.0 -9.6 -5.6 71 83 A D > - 0 0 20 4,-2.9 3,-2.5 -2,-0.3 -2,-0.0 -0.336 42.1 -84.4 -89.1-173.0 19.2 -6.3 -4.3 72 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.610 129.1 53.8 -71.2 -12.1 22.7 -4.7 -4.7 73 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.296 121.4-104.3 -94.9 0.4 23.9 -6.7 -1.6 74 86 A G S < S+ 0 0 52 -3,-2.5 2,-0.3 1,-0.3 -47,-0.3 0.581 73.7 145.2 83.1 8.4 22.8 -10.1 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.9 -47,-0.1 -1,-0.3 -0.661 53.1-118.7 -77.8 135.1 19.7 -10.2 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.6 -47,-3.8 -2,-0.3 2,-0.6 -0.455 22.5-143.4 -67.0 142.1 16.7 -11.8 -2.2 77 89 A L E +d 29 0A 19 -8,-2.0 -12,-0.5 -49,-0.2 2,-0.3 -0.960 43.0 126.6-115.1 113.6 13.7 -9.4 -2.4 78 90 A A E -dE 30 64A 0 -49,-1.2 -47,-2.3 -2,-0.6 2,-0.5 -0.965 61.9-100.7-153.4 165.2 10.4 -11.1 -1.6 79 91 A Y E - E 0 63A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.863 42.1-148.5 -86.3 128.6 7.2 -11.2 0.3 80 92 A I E - E 0 62A 0 -2,-0.5 7,-2.8 -18,-0.2 8,-0.6 -0.857 10.2-162.2-106.2 136.3 7.6 -13.9 3.0 81 93 A Y E -GE 86 61A 17 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.6 -0.951 8.3-162.9-118.9 138.5 4.6 -16.0 4.2 82 94 A A E > S-GE 85 60A 5 3,-2.8 3,-1.6 -2,-0.4 -22,-0.2 -0.953 84.3 -23.0-121.1 108.3 4.4 -18.0 7.4 83 95 A D T 3 S- 0 0 78 -24,-3.1 -1,-0.2 -2,-0.6 -23,-0.1 0.925 130.2 -49.3 52.2 48.5 1.5 -20.5 7.3 84 96 A G T 3 S+ 0 0 43 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.323 115.9 115.7 78.5 -8.5 -0.1 -18.4 4.6 85 97 A K E < -G 82 0A 147 -3,-1.6 -3,-2.8 4,-0.0 2,-0.4 -0.850 68.5-122.4 -98.9 122.1 0.2 -15.1 6.5 86 98 A M E > -G 81 0A 7 -2,-0.5 4,-2.3 -5,-0.3 -5,-0.3 -0.477 12.6-158.6 -65.4 121.9 2.5 -12.4 5.0 87 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.3 -2,-0.4 5,-0.2 0.890 93.1 56.2 -62.8 -42.9 5.2 -11.4 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.942 112.0 41.6 -53.9 -49.4 5.6 -8.0 5.5 89 101 A E H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.908 112.7 54.5 -69.0 -40.9 1.9 -7.1 6.0 90 102 A A H X S+ 0 0 24 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.875 106.0 50.6 -63.0 -47.1 1.9 -8.4 9.6 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 6,-0.7 0.926 115.1 44.4 -53.0 -51.6 4.8 -6.2 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 -2,-0.2 0.931 109.9 54.8 -60.3 -38.6 3.1 -3.1 9.1 93 105 A R H 3<5S+ 0 0 62 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.6 49.4 -71.7 -25.1 -0.3 -4.0 10.6 94 106 A Q T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.339 114.8-113.0 -91.9 4.0 1.2 -4.1 14.1 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.6 -4,-0.2 -3,-0.2 0.772 88.0 116.6 69.2 26.3 3.0 -0.8 13.8 96 108 A L S - 0 0 153 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.786 33.8 -98.6 -97.5 141.1 10.2 0.9 -6.3 104 116 A K T 3 S+ 0 0 209 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.260 108.3 19.8 -55.3 129.9 8.3 0.8 -9.6 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -1,-0.3 -3,-0.0 -38,-0.2 0.382 117.3 66.0 85.6 -6.6 7.8 -2.8 -10.9 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.2 -0.383 77.6 90.5-127.6 52.5 8.4 -4.4 -7.5 107 119 A N > + 0 0 55 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.049 34.0 133.1-138.5 27.2 5.3 -3.0 -5.7 108 120 A T T 3 S+ 0 0 52 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.861 81.8 39.2 -48.4 -43.3 2.4 -5.4 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.223 81.4 113.1 -99.9 19.1 1.3 -5.4 -2.6 110 122 A E H <> S+ 0 0 37 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.952 79.0 45.1 -55.3 -51.0 1.8 -1.7 -2.0 111 123 A Q H > S+ 0 0 129 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.894 111.3 53.3 -66.1 -38.7 -1.8 -0.8 -1.5 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.903 113.2 43.9 -56.5 -46.4 -2.4 -3.9 0.8 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.852 109.9 55.1 -71.1 -33.1 0.4 -2.8 3.0 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.910 106.5 52.1 -68.6 -33.8 -0.6 0.9 3.0 115 127 A K H X S+ 0 0 132 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.928 109.2 50.4 -64.2 -42.5 -4.1 -0.1 4.2 116 128 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.896 110.0 49.9 -60.7 -40.8 -2.4 -2.1 7.0 117 129 A E H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 107.4 53.8 -66.9 -41.2 -0.3 1.0 7.9 118 130 A A H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.924 110.8 47.4 -55.7 -42.0 -3.4 3.2 8.0 119 131 A Q H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.6 48.9 -68.8 -45.2 -5.0 0.7 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.861 113.5 47.8 -59.3 -40.8 -2.0 0.5 12.7 121 133 A K H ><5S+ 0 0 97 -4,-2.6 3,-1.7 3,-0.2 -2,-0.2 0.924 109.7 51.6 -66.9 -41.6 -1.7 4.3 12.7 122 134 A K H 3<5S+ 0 0 172 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.4 47.7 -62.4 -38.2 -5.5 4.7 13.5 123 135 A E T 3<5S- 0 0 98 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.365 108.5-128.7 -82.6 0.6 -5.0 2.3 16.4 124 136 A K T < 5 + 0 0 143 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.845 44.3 178.8 57.0 37.6 -1.9 4.2 17.6 125 137 A L > < - 0 0 43 -5,-2.6 3,-2.9 3,-0.1 2,-0.3 -0.608 44.5 -56.5 -83.0 128.0 0.1 0.9 17.7 126 138 A N G > S+ 0 0 49 -2,-0.4 3,-1.9 1,-0.3 -30,-0.2 -0.231 135.2 25.4 58.8-107.1 3.8 0.7 18.6 127 139 A I G 3 S+ 0 0 39 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.802 126.8 52.1 -60.9 -25.6 5.6 3.1 16.3 128 140 A W G < 0 0 52 -3,-2.9 -1,-0.3 -33,-0.1 -2,-0.2 0.277 360.0 360.0 -93.3 10.4 2.4 5.1 15.9 129 141 A S < 0 0 99 -3,-1.9 -4,-0.1 -34,-0.1 -5,-0.1 -0.581 360.0 360.0 -84.7 360.0 1.8 5.5 19.6