==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-13 4J1M . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,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) . 7174.0 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 . 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 . 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 . 11 8.5 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 85 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 155.5 2.4 -0.7 -8.3 2 8 A H - 0 0 111 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.991 360.0-119.7-142.7 151.6 3.0 -4.1 -6.8 3 9 A K E -A 63 0A 83 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.615 27.1-172.3 -85.3 142.9 4.2 -5.7 -3.6 4 10 A E E -A 62 0A 21 58,-2.3 58,-2.9 -2,-0.3 2,-0.0 -0.966 27.8 -98.5-130.5 152.6 7.2 -8.0 -3.6 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.291 42.9 158.0 -68.9 155.2 8.5 -10.1 -0.8 6 12 A A E -AB 60 21A 11 54,-1.5 54,-0.7 15,-0.1 2,-0.4 -0.954 26.8-137.7-160.5 165.1 11.4 -9.3 1.5 7 13 A T E - B 0 20A 83 13,-1.5 13,-3.2 -2,-0.3 2,-0.2 -0.963 30.3-103.2-128.2 148.8 12.6 -10.4 4.9 8 14 A L E + B 0 19A 50 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.485 34.6 170.5 -67.6 136.5 14.0 -8.2 7.7 9 15 A I E - 0 0 69 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.733 69.6 -20.8-103.1 -52.6 17.7 -8.2 8.3 10 16 A K E - B 0 18A 141 8,-2.1 8,-3.5 44,-0.0 -1,-0.3 -0.951 53.9-122.3-159.7 137.8 17.9 -5.3 10.8 11 17 A A E + B 0 17A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.522 30.9 176.2 -70.7 135.4 16.0 -2.2 11.9 12 18 A I - 0 0 84 4,-1.3 2,-0.2 1,-0.5 5,-0.2 0.666 50.8 -44.8-107.9 -70.4 18.1 0.9 11.4 13 19 A D S S- 0 0 22 3,-1.9 -1,-0.5 33,-0.1 3,-0.3 -0.705 77.1 -58.1-145.8-159.6 16.2 4.0 12.3 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 -2,-0.2 23,-0.1 0.862 132.2 18.0 -56.9 -36.4 12.7 5.7 11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.287 115.4 68.0-128.1 15.4 13.0 5.7 8.0 16 22 A T E + C 0 29A 12 -3,-0.3 -3,-1.9 13,-0.2 -4,-1.3 -0.992 50.9 169.7-134.6 139.8 15.7 3.2 7.0 17 23 A V E -BC 11 28A 3 11,-1.9 11,-3.3 -2,-0.4 2,-0.6 -0.992 31.5-124.9-146.7 146.3 15.7 -0.6 7.4 18 24 A K E +BC 10 27A 80 -8,-3.5 -9,-2.9 -2,-0.3 -8,-2.1 -0.839 38.7 171.2 -98.1 122.0 17.9 -3.4 6.2 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.6 -2,-0.6 2,-0.6 -0.915 37.6-121.7-126.4 154.3 16.0 -6.0 4.2 20 26 A M E +BC 7 25A 81 -13,-3.2 -13,-1.5 -2,-0.3 2,-0.4 -0.899 37.8 179.2 -94.1 118.7 16.8 -9.1 2.2 21 27 A Y E > -BC 6 24A 22 3,-2.8 3,-2.0 -2,-0.6 -15,-0.1 -0.988 67.6 -9.1-128.6 128.7 15.3 -8.4 -1.3 22 28 A K T 3 S- 0 0 146 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.813 131.5 -57.1 46.9 35.6 15.6 -10.9 -4.1 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.475 118.3 103.1 84.2 5.6 18.1 -12.7 -1.9 24 30 A Q E < S-C 21 0A 125 -3,-2.0 -3,-2.8 -5,-0.0 2,-0.2 -0.938 73.8-113.1-125.2 138.4 20.5 -9.8 -1.4 25 31 A P E +C 20 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.509 43.3 168.4 -69.5 135.6 20.9 -7.5 1.6 26 32 A M E -C 19 0A 45 -7,-2.6 -7,-2.7 -2,-0.2 2,-0.5 -0.994 35.5-127.6-144.5 145.4 19.9 -3.9 0.9 27 33 A T E -C 18 0A 48 -2,-0.3 49,-2.8 47,-0.3 2,-0.4 -0.809 30.8-154.9 -86.4 126.7 19.2 -0.8 3.0 28 34 A F E -Cd 17 76A 0 -11,-3.3 -11,-1.9 -2,-0.5 2,-0.5 -0.882 8.0-156.8-105.8 135.5 15.8 0.7 2.2 29 35 A R E -Cd 16 77A 20 47,-3.3 49,-1.4 -2,-0.4 2,-0.3 -0.941 28.9-117.4-104.5 126.8 14.9 4.3 2.6 30 36 A L E > - d 0 78A 5 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.459 31.5-119.0 -68.9 130.7 11.2 4.9 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.350 82.9 6.2 -64.7 146.0 9.7 6.9 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.475 108.1 89.4 70.5 9.3 7.9 10.3 0.7 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.902 52.6-156.3-134.9 164.5 8.7 10.6 4.5 34 40 A D E -H 98 0B 51 64,-1.9 64,-2.1 -2,-0.3 3,-0.0 -0.914 8.1-169.4-141.8 116.4 11.2 12.0 6.9 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.691 36.9 -98.3 -90.8 150.6 11.7 10.8 10.4 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.357 46.1 -99.4 -56.8 152.3 14.0 12.8 12.8 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.316 38.5-103.3 -69.9 156.5 17.5 11.4 13.3 38 50 A F T 3 S+ 0 0 129 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.829 123.3 53.8 -53.1 -32.9 18.0 9.3 16.3 39 51 A N T 3 S+ 0 0 136 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.483 98.7 79.0 -79.3 -5.7 19.8 12.3 18.0 40 52 A E S X S- 0 0 96 -3,-2.3 3,-2.1 1,-0.1 0, 0.0 -0.573 100.1 -75.1-102.2 163.1 16.9 14.7 17.4 41 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.362 121.5 14.2 -60.0 136.1 13.6 15.1 19.3 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.3 -3,-0.1 -1,-0.3 0.292 96.9 111.9 76.1 -5.7 11.2 12.2 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.3 -6,-0.3 5,-0.2 0.898 75.6 45.9 -55.1 -54.3 14.1 10.3 16.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.934 113.4 51.0 -59.5 -43.4 14.2 7.5 19.3 45 57 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.881 110.5 48.3 -63.1 -38.0 10.5 7.1 19.2 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 112.0 49.1 -65.9 -44.8 10.5 6.9 15.4 47 59 A S H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 113.7 47.0 -59.9 -39.3 13.3 4.3 15.5 48 60 A A H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.868 110.8 51.9 -72.9 -34.9 11.4 2.3 18.0 49 61 A F H X S+ 0 0 58 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.937 114.5 41.4 -66.7 -52.5 8.1 2.5 16.2 50 62 A T H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.928 113.5 54.0 -59.9 -44.8 9.6 1.3 12.9 51 63 A K H X S+ 0 0 96 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.930 111.7 44.9 -55.5 -50.9 11.7 -1.4 14.7 52 64 A K H X S+ 0 0 138 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.945 112.6 51.4 -61.7 -44.8 8.6 -2.8 16.4 53 65 A M H X S+ 0 0 32 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.915 116.5 38.0 -62.6 -43.1 6.6 -2.7 13.3 54 66 A V H < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.5 51.1 -75.8 -35.0 9.1 -4.5 11.1 55 67 A E H < S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.806 112.4 46.6 -72.5 -32.8 10.3 -7.0 13.8 56 68 A N H < S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.596 89.3 108.5 -84.7 -12.9 6.7 -8.1 14.7 57 69 A A < - 0 0 19 -4,-0.6 3,-0.2 -5,-0.2 -3,-0.0 -0.439 54.1-159.7 -68.7 137.9 5.5 -8.5 11.1 58 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.813 86.6 30.1 -72.2 -34.0 4.9 -12.0 9.8 59 71 A K - 0 0 116 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.984 66.2-169.2-139.0 117.3 5.3 -10.7 6.3 60 72 A I E -AE 6 82A 11 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.889 13.9-173.5-100.6 138.6 7.3 -7.7 5.0 61 73 A E E -AE 5 81A 28 20,-1.9 20,-2.8 -2,-0.4 2,-0.4 -0.977 15.7-143.7-132.2 151.6 6.8 -6.5 1.5 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.3 -2,-0.3 2,-0.4 -0.926 11.0-172.4-107.5 137.0 8.5 -4.0 -0.8 63 75 A E E -AE 3 79A 8 16,-2.3 16,-2.8 -2,-0.4 -60,-0.2 -0.945 9.2-160.0-130.2 109.6 6.6 -1.8 -3.3 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.507 14.4-134.0 -81.6 155.2 8.8 0.3 -5.6 65 77 A D - 0 0 6 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.109 36.2 -84.9 -89.3-161.0 7.2 3.3 -7.3 66 78 A K S S+ 0 0 153 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.661 103.2 45.5 -86.3 -17.8 7.5 4.2 -10.9 67 79 A G S S- 0 0 32 38,-0.5 39,-0.1 1,-0.3 38,-0.1 0.207 104.8 -0.8 -99.3-138.6 10.8 6.1 -10.9 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.195 48.4-167.0 -61.4 135.1 14.2 5.6 -9.5 69 81 A R S S+ 0 0 117 1,-0.2 8,-2.7 -3,-0.1 2,-0.4 0.582 73.4 39.0-102.4 -15.6 14.6 2.5 -7.3 70 82 A T B S-F 76 0A 77 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.991 76.8-137.7-132.3 141.2 17.9 3.3 -5.6 71 83 A D > - 0 0 23 4,-2.8 3,-1.9 -2,-0.4 -2,-0.1 -0.249 40.9 -85.9 -90.7-177.6 19.1 6.7 -4.4 72 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.623 128.4 55.1 -66.8 -10.1 22.5 8.3 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.229 120.8-105.6-103.5 5.5 23.7 6.5 -1.6 74 86 A G S < S+ 0 0 55 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.551 74.2 142.4 81.2 9.3 22.7 3.1 -2.9 75 87 A R - 0 0 66 -49,-0.1 -4,-2.8 -47,-0.1 -1,-0.3 -0.635 55.1-116.6 -81.0 140.5 19.6 2.8 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.8 -47,-3.3 -2,-0.3 2,-0.6 -0.480 23.4-142.3 -72.2 143.8 16.5 1.2 -2.1 77 89 A L E +d 29 0A 20 -8,-2.7 -12,-0.4 -49,-0.2 2,-0.3 -0.957 43.2 128.3-112.7 115.9 13.5 3.6 -2.4 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.972 62.2-104.2-154.1 163.6 10.3 1.9 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.863 42.7-153.6 -90.3 127.7 7.0 1.8 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.918 7.2-160.4-110.3 135.1 7.5 -0.9 2.9 81 93 A Y E -EG 61 86A 17 -20,-2.8 -20,-1.9 -2,-0.4 2,-0.5 -0.923 8.4-160.3-118.2 142.6 4.5 -2.9 4.3 82 94 A A E > S-EG 60 85A 7 3,-3.1 3,-1.9 -2,-0.4 -22,-0.2 -0.983 84.9 -22.9-122.9 112.1 4.3 -4.9 7.5 83 95 A D T 3 S- 0 0 87 -24,-2.9 -23,-0.1 -2,-0.5 -1,-0.1 0.860 129.8 -50.4 45.3 42.4 1.4 -7.4 7.5 84 96 A G T 3 S+ 0 0 50 -25,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.388 115.0 114.0 86.9 -7.4 -0.2 -5.2 4.8 85 97 A K E < S-G 82 0A 77 -3,-1.9 -3,-3.1 4,-0.0 2,-0.5 -0.875 70.2-122.0 -93.9 135.0 0.1 -1.9 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.6 -5,-0.3 -5,-0.3 -0.574 12.8-154.7 -78.4 124.5 2.4 0.7 5.1 87 99 A V H > S+ 0 0 2 -7,-3.0 4,-2.5 -2,-0.5 5,-0.3 0.917 95.1 57.7 -65.6 -37.6 5.1 1.6 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.924 111.5 41.9 -56.9 -50.2 5.5 5.0 5.7 89 101 A E H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 111.0 55.7 -62.3 -46.2 1.8 5.7 6.3 90 102 A A H X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.910 106.4 51.0 -57.4 -42.2 1.9 4.4 9.9 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.8 0.907 112.4 46.2 -59.6 -46.3 4.7 6.8 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.8 -5,-0.3 -2,-0.2 0.913 107.5 55.6 -66.7 -40.6 2.9 9.7 9.5 93 105 A E H 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.6 51.0 -58.7 -26.8 -0.4 8.8 11.2 94 106 A Q T 3<5S- 0 0 79 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.425 113.4-117.1 -92.3 -0.3 1.6 8.8 14.4 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.3 2,-0.2 -3,-0.2 0.760 85.9 115.7 66.1 25.2 3.2 12.2 13.9 96 108 A L S - 0 0 153 -2,-1.1 3,-1.9 3,-0.4 -3,-0.0 -0.814 35.0-100.7 -99.9 139.4 10.2 13.9 -6.2 104 116 A K T 3 S+ 0 0 210 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.220 107.2 26.2 -54.3 142.8 8.2 13.8 -9.4 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -38,-0.5 1,-0.0 -1,-0.2 0.322 116.6 60.3 84.9 -16.3 7.9 10.2 -10.7 106 118 A N S < S+ 0 0 13 -3,-1.9 -3,-0.4 -40,-0.2 -74,-0.1 -0.453 77.1 97.6-126.7 62.1 8.1 8.5 -7.3 107 119 A N > + 0 0 57 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.047 33.0 128.9-134.4 30.1 5.1 10.1 -5.8 108 120 A T T 3 S+ 0 0 53 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.891 80.8 38.3 -59.4 -42.1 2.3 7.6 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.183 82.6 113.9 -98.1 21.5 1.2 7.6 -2.6 110 122 A E H <> S+ 0 0 36 -3,-1.8 4,-3.2 1,-0.2 5,-0.2 0.935 78.0 44.6 -53.8 -54.4 1.7 11.4 -1.9 111 123 A Q H > S+ 0 0 127 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.926 111.0 54.6 -68.1 -33.3 -1.9 12.3 -1.4 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 112.8 43.7 -56.2 -47.5 -2.5 9.2 0.8 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.883 111.3 53.5 -71.9 -36.8 0.3 10.3 3.1 114 126 A R H X S+ 0 0 90 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.904 106.4 52.9 -63.6 -35.0 -0.7 13.9 3.1 115 127 A K H X S+ 0 0 157 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.926 110.1 48.1 -65.9 -43.7 -4.1 13.0 4.2 116 128 A A H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.882 110.3 52.3 -60.2 -41.0 -2.6 11.0 7.1 117 129 A E H X S+ 0 0 20 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.914 105.4 54.8 -64.2 -41.7 -0.3 14.0 8.0 118 130 A A H X S+ 0 0 55 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.926 110.1 46.3 -58.1 -41.4 -3.3 16.4 8.1 119 131 A Q H X S+ 0 0 82 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.942 112.1 49.9 -69.3 -43.1 -5.0 14.1 10.6 120 132 A A H <>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 4,-0.2 0.878 109.3 52.8 -56.2 -38.8 -1.9 13.7 12.8 121 133 A K H <5S+ 0 0 85 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.805 108.0 50.8 -71.1 -28.4 -1.5 17.5 12.8 122 134 A K H <5S+ 0 0 149 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.851 108.7 49.8 -80.3 -33.9 -5.0 17.9 14.0 123 135 A E T <5S- 0 0 103 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.497 108.7-132.0 -75.3 -4.3 -4.5 15.5 16.8 124 136 A K T 5 - 0 0 132 -3,-0.3 2,-0.4 -4,-0.2 -3,-0.2 0.874 41.0-177.4 55.1 43.8 -1.4 17.5 17.5 125 137 A L > < - 0 0 46 -5,-2.2 3,-3.2 3,-0.2 -1,-0.2 -0.620 41.4 -58.7 -87.1 135.6 0.6 14.3 17.8 126 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.5 1,-0.3 -30,-0.2 -0.137 135.5 29.5 46.2-106.0 4.2 14.0 18.7 127 139 A I G 3 S+ 0 0 39 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.822 127.7 47.9 -47.7 -32.6 6.1 16.0 16.0 128 140 A W G < 0 0 49 -3,-3.2 -1,-0.3 -33,-0.1 -2,-0.2 0.371 360.0 360.0 -93.8 7.4 2.9 18.2 15.8 129 141 A S < 0 0 104 -3,-2.5 -4,-0.1 -34,-0.1 -5,-0.1 -0.111 360.0 360.0 -87.2 360.0 2.5 18.7 19.6