==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-10 3P75 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,A.HEROUX,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7421.0 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 . 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 . 29 22.5 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 0 2 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 1 0 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,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.9 1.6 -1.8 -7.4 2 8 A H - 0 0 107 62,-0.4 2,-0.5 63,-0.1 62,-0.4 -0.971 360.0-125.3-133.6 146.5 2.4 -5.2 -5.9 3 9 A K - 0 0 90 -2,-0.3 60,-0.2 60,-0.1 77,-0.1 -0.769 23.4-165.6 -93.2 129.4 3.6 -6.4 -2.5 4 10 A E E -A 62 0A 27 58,-3.1 58,-3.3 -2,-0.5 -2,-0.0 -0.945 23.9-113.6-114.5 133.9 6.7 -8.6 -2.3 5 11 A P E +A 61 0A 98 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.308 41.5 163.9 -66.9 142.8 7.7 -10.6 0.8 6 12 A A E -A 60 0A 10 54,-2.0 54,-0.8 15,-0.1 2,-0.3 -0.962 25.7-132.6-149.1 163.8 10.8 -9.6 2.6 7 13 A T E -B 20 0A 86 13,-2.1 13,-3.8 -2,-0.3 2,-0.2 -0.907 27.0-102.5-124.4 151.1 12.3 -10.4 6.1 8 14 A L E +B 19 0A 53 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.478 35.8 165.2 -71.5 137.3 13.8 -8.1 8.7 9 15 A I E - 0 0 69 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.715 69.1 -25.7-103.4 -55.7 17.5 -7.9 9.2 10 16 A K E -B 18 0A 139 8,-1.8 8,-3.4 0, 0.0 -1,-0.3 -0.986 51.7-120.4-159.0 139.8 17.8 -4.7 11.3 11 17 A A E +B 17 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.547 28.8 177.3 -69.2 142.2 16.0 -1.5 12.1 12 18 A I E - 0 0 85 4,-1.4 2,-0.2 1,-0.5 5,-0.2 0.697 52.7 -45.4-113.5 -62.7 18.1 1.6 11.3 13 19 A D E > S-B 16 0A 18 3,-2.0 3,-0.9 33,-0.1 -1,-0.5 -0.809 77.1 -57.7-153.5-162.6 16.2 4.7 12.0 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.837 131.6 18.6 -54.8 -38.6 12.7 6.3 11.4 15 21 A D T 3 S+ 0 0 8 20,-0.1 15,-3.0 21,-0.1 2,-0.4 0.165 115.7 70.3-125.0 16.9 12.7 6.0 7.6 16 22 A T E < +BC 13 29A 10 -3,-0.9 -3,-2.0 13,-0.2 -4,-1.4 -1.000 50.8 167.3-142.5 132.4 15.4 3.4 6.9 17 23 A V E -BC 11 28A 1 11,-2.0 11,-3.0 -2,-0.4 2,-0.6 -0.997 30.7-128.0-149.9 144.5 15.4 -0.3 7.5 18 24 A K E +BC 10 27A 73 -8,-3.4 -9,-2.7 -2,-0.3 -8,-1.8 -0.877 36.0 172.9-103.4 121.7 17.6 -3.3 6.5 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.8 -2,-0.6 2,-0.6 -0.880 37.3-119.3-122.1 155.2 15.6 -6.2 5.0 20 26 A M E +BC 7 25A 76 -13,-3.8 -13,-2.1 -2,-0.3 2,-0.4 -0.897 39.2 179.1 -91.6 125.1 16.4 -9.4 3.3 21 27 A Y E > - C 0 24A 27 3,-2.7 3,-1.1 -2,-0.6 -15,-0.1 -0.983 66.1 -12.4-134.3 118.5 14.8 -9.2 -0.2 22 28 A K T 3 S- 0 0 161 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.882 130.4 -54.6 54.1 40.2 15.0 -11.9 -2.8 23 29 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.623 119.0 104.7 72.6 16.0 17.7 -13.6 -0.6 24 30 A Q E < S-C 21 0A 127 -3,-1.1 -3,-2.7 2,-0.0 2,-0.2 -0.988 75.2-114.9-127.4 138.3 19.9 -10.5 -0.4 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.480 44.3 171.6 -62.9 131.1 20.5 -8.0 2.3 26 32 A M E -C 19 0A 43 -7,-2.8 -7,-2.9 -2,-0.2 2,-0.3 -0.983 30.7-135.8-145.9 129.6 19.2 -4.6 1.2 27 33 A T E -C 18 0A 43 -2,-0.3 49,-2.3 -9,-0.2 2,-0.4 -0.694 25.0-155.1 -78.9 138.0 18.7 -1.3 3.0 28 34 A F E -Cd 17 76A 0 -11,-3.0 -11,-2.0 -2,-0.3 2,-0.5 -0.974 8.3-155.2-117.4 135.3 15.4 0.3 2.2 29 35 A R E -Cd 16 77A 23 47,-3.0 49,-1.5 -2,-0.4 2,-0.3 -0.900 33.0-113.0-105.0 127.6 14.6 4.1 2.4 30 36 A L E > - d 0 78A 3 -15,-3.0 3,-0.9 -2,-0.5 49,-0.2 -0.496 32.3-117.8 -64.0 129.5 10.9 4.7 2.9 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.293 84.3 1.3 -64.9 138.9 9.2 6.4 -0.0 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.5 74,-0.1 2,-0.3 0.409 109.5 90.3 74.4 9.4 7.6 9.8 0.4 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.907 50.7-161.1-136.1 158.7 8.5 10.5 4.0 34 40 A D E -H 98 0B 50 64,-1.9 64,-1.9 -2,-0.3 3,-0.1 -0.918 8.3-164.9-141.1 111.6 11.2 12.0 6.2 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.707 40.5 -92.4 -82.5 149.0 11.5 11.1 9.9 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -1,-0.1 -0.213 49.8 -94.8 -52.9 145.7 13.7 13.5 11.9 37 43 A E > - 0 0 92 1,-0.1 3,-2.6 -24,-0.1 6,-0.3 -0.363 36.8-109.7 -53.7 151.2 17.3 12.4 12.2 38 50 A F T 3 S+ 0 0 125 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.827 120.7 55.6 -52.8 -36.8 18.0 10.4 15.4 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 3,-0.1 2,-0.3 0.322 100.4 77.6 -81.6 6.2 20.0 13.4 16.7 40 52 A E S X S- 0 0 107 -3,-2.6 3,-2.4 1,-0.1 0, 0.0 -0.779 100.4 -74.8-109.6 164.0 17.0 15.7 16.2 41 53 A K T 3 S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.268 121.7 12.7 -58.1 132.9 13.8 16.2 18.3 42 54 A Y T 3> S+ 0 0 48 -4,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.323 97.0 111.0 77.1 -4.6 11.4 13.3 17.7 43 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.8 -6,-0.3 -5,-0.2 0.921 78.6 44.8 -62.9 -48.4 14.2 11.3 16.0 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.892 114.0 50.9 -61.5 -40.0 14.5 8.8 18.8 45 57 A E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.922 111.9 47.3 -65.7 -43.4 10.7 8.5 18.9 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.936 112.3 49.2 -61.6 -47.6 10.6 7.9 15.1 47 59 A S H X S+ 0 0 18 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.937 112.8 47.4 -56.9 -48.4 13.3 5.3 15.3 48 60 A A H X S+ 0 0 56 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.813 110.3 53.0 -61.4 -39.0 11.6 3.5 18.1 49 61 A F H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.959 113.2 41.9 -65.4 -46.4 8.2 3.6 16.3 50 62 A T H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.930 114.4 52.4 -66.7 -41.3 9.6 2.0 13.1 51 63 A K H X S+ 0 0 96 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.919 111.0 46.7 -58.9 -47.8 11.7 -0.5 15.0 52 64 A K H X S+ 0 0 148 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.919 112.4 51.4 -61.9 -42.8 8.6 -1.6 17.0 53 65 A M H X S+ 0 0 33 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.941 116.7 37.4 -65.4 -44.4 6.6 -1.9 13.9 54 66 A V H < S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.779 115.6 51.7 -78.1 -30.9 9.1 -4.0 11.9 55 67 A E H < S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.796 112.6 46.3 -76.9 -23.4 10.2 -6.2 14.9 56 68 A N H < S+ 0 0 113 -4,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.541 88.2 109.7 -97.7 -3.6 6.7 -7.1 15.8 57 69 A A < - 0 0 20 -4,-0.6 3,-0.2 1,-0.2 -3,-0.0 -0.485 51.1-163.4 -75.2 129.3 5.5 -7.9 12.3 58 70 A K S S+ 0 0 202 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.783 86.5 29.5 -70.7 -34.0 4.8 -11.5 11.4 59 71 A K - 0 0 112 -3,-0.1 24,-3.0 -52,-0.0 2,-0.4 -0.985 66.7-169.0-135.0 127.5 5.0 -10.5 7.8 60 72 A I E -AE 6 82A 9 -54,-0.8 -54,-2.0 -2,-0.4 2,-0.4 -0.924 9.9-170.1-112.1 134.6 6.9 -7.7 6.0 61 73 A E E -AE 5 81A 27 20,-1.9 20,-2.4 -2,-0.4 2,-0.4 -0.976 12.4-148.2-124.4 145.6 6.2 -6.7 2.5 62 74 A V E -AE 4 80A 0 -58,-3.3 -58,-3.1 -2,-0.4 2,-0.4 -0.906 11.9-170.1-108.6 132.5 8.1 -4.4 0.1 63 75 A E E - E 0 79A 7 16,-2.3 16,-3.0 -2,-0.4 -60,-0.1 -0.920 6.2-159.0-128.6 105.8 6.1 -2.4 -2.5 64 76 A F E - E 0 78A 12 -2,-0.4 -62,-0.4 -62,-0.4 14,-0.2 -0.449 14.4-132.6 -73.8 152.4 8.1 -0.6 -5.2 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.204 32.5 -93.0 -91.9-169.3 6.5 2.3 -7.1 66 78 A K S S+ 0 0 172 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.550 103.9 57.8 -89.4 -6.5 6.5 2.8 -10.8 67 79 A G S S- 0 0 24 38,-0.3 39,-0.0 1,-0.3 37,-0.0 0.139 106.0 -15.2-101.4-144.2 9.6 5.0 -10.9 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.279 48.0-159.8 -68.4 138.8 13.2 4.5 -9.7 69 81 A R S S+ 0 0 113 1,-0.1 8,-2.7 -3,-0.1 2,-0.4 0.626 71.9 40.7 -91.9 -21.3 13.7 1.5 -7.4 70 82 A T B S-F 76 0A 66 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.985 71.6-135.7-131.9 147.6 17.0 2.5 -5.8 71 83 A D > - 0 0 23 4,-2.6 3,-1.7 -2,-0.4 -2,-0.1 -0.170 43.9 -85.3 -91.5-176.1 18.5 5.8 -4.6 72 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.630 128.3 53.2 -69.6 -13.5 22.0 7.2 -5.2 73 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.352 121.9-103.0 -98.7 4.7 23.3 5.3 -2.3 74 86 A G S < S+ 0 0 48 -3,-1.7 2,-0.3 1,-0.3 -47,-0.2 0.452 74.0 142.6 86.1 9.3 22.0 2.0 -3.5 75 87 A R - 0 0 65 -49,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.581 54.9-114.6 -82.5 141.0 19.0 1.8 -1.1 76 88 A G E -dF 28 70A 0 -49,-2.3 -47,-3.0 -2,-0.3 2,-0.6 -0.361 23.5-142.1 -67.2 143.5 15.7 0.4 -2.3 77 89 A L E +d 29 0A 21 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.949 44.1 129.6-112.3 114.1 12.9 3.0 -2.4 78 90 A A E -dE 30 64A 0 -49,-1.5 -47,-2.3 -2,-0.6 2,-0.4 -0.975 61.7-100.8-152.1 166.5 9.6 1.5 -1.4 79 91 A Y E - E 0 63A 0 -16,-3.0 -16,-2.3 -2,-0.3 2,-0.4 -0.813 42.6-150.8 -89.6 133.8 6.5 1.5 0.7 80 92 A I E - E 0 62A 1 -2,-0.4 7,-3.4 -18,-0.2 8,-0.6 -0.931 8.9-162.6-116.1 128.3 7.0 -1.0 3.6 81 93 A Y E -GE 86 61A 17 -20,-2.4 -20,-1.9 -2,-0.4 2,-0.5 -0.936 8.0-161.7-112.2 139.1 4.1 -2.9 5.2 82 94 A A E > S-GE 85 60A 6 3,-2.7 3,-2.0 -2,-0.4 -22,-0.2 -0.984 84.5 -22.9-122.5 110.8 4.1 -4.6 8.5 83 95 A D T 3 S- 0 0 70 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.877 130.0 -49.1 48.3 44.8 1.3 -7.1 8.8 84 96 A G T 3 S+ 0 0 51 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.439 115.3 114.8 84.8 -2.3 -0.6 -5.2 6.1 85 97 A K E < -G 82 0A 143 -3,-2.0 -3,-2.7 4,-0.0 2,-0.3 -0.916 68.9-123.5-103.6 127.3 -0.1 -1.7 7.7 86 98 A M E > -G 81 0A 11 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.483 13.1-157.4 -77.0 119.8 2.0 0.7 5.7 87 99 A V H > S+ 0 0 1 -7,-3.4 4,-2.6 -2,-0.3 5,-0.3 0.914 92.6 56.9 -61.5 -42.5 4.9 2.0 7.9 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.908 112.0 41.3 -52.9 -49.7 5.2 5.1 5.7 89 101 A E H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.892 111.9 56.1 -65.9 -42.3 1.6 6.1 6.4 90 102 A A H X S+ 0 0 21 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.919 108.0 47.0 -60.6 -45.9 1.8 5.1 10.1 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-0.8 0.923 113.9 48.6 -56.6 -51.9 4.7 7.4 10.8 92 104 A D H ><5S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.3 -2,-0.2 0.936 109.0 52.4 -50.9 -51.9 3.0 10.2 8.9 93 105 A R H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.1 49.0 -65.2 -24.8 -0.3 9.7 10.8 94 106 A Q T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.345 114.4-115.4 -93.3 5.4 1.5 9.9 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.3 2,-0.2 -3,-0.2 0.804 85.8 117.5 61.0 34.1 3.4 13.1 13.3 96 108 A L S - 0 0 153 -2,-0.9 3,-0.9 3,-0.4 -36,-0.1 -0.885 37.2-120.4-115.1 152.2 9.1 12.8 -7.1 104 116 A K T 3 S+ 0 0 197 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.821 108.7 49.3 -62.6 -41.2 7.0 12.3 -10.2 105 117 A G T 3 S+ 0 0 44 1,-0.2 -39,-0.5 2,-0.1 2,-0.4 0.853 117.8 38.4 -59.4 -36.3 8.0 8.7 -10.9 106 118 A N S < S+ 0 0 11 -3,-0.9 -3,-0.4 -40,-0.2 -1,-0.2 -0.564 79.7 103.8-127.7 60.8 7.4 7.5 -7.4 107 119 A N > + 0 0 59 -3,-0.5 3,-2.0 -2,-0.4 4,-0.3 0.078 28.8 128.6-134.6 24.5 4.3 9.2 -5.9 108 120 A T T 3 S+ 0 0 65 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.882 84.6 36.3 -53.1 -43.3 1.5 6.6 -6.1 109 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.120 83.0 113.7 -99.2 21.8 0.6 7.0 -2.4 110 122 A E H <> S+ 0 0 47 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.911 77.0 46.9 -58.8 -51.1 1.2 10.8 -2.1 111 123 A Q H > S+ 0 0 176 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.911 112.4 51.4 -61.7 -43.0 -2.5 11.8 -1.6 112 124 A L H > S+ 0 0 63 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.891 112.1 46.0 -57.2 -46.1 -2.9 9.1 1.1 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.895 111.4 50.9 -69.4 -36.8 0.2 10.3 3.0 114 126 A R H X S+ 0 0 108 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.850 108.1 54.3 -63.9 -39.2 -0.7 13.9 2.8 115 127 A K H X S+ 0 0 151 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.936 109.9 46.8 -54.4 -50.5 -4.1 12.9 4.2 116 128 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.936 111.4 51.3 -57.0 -46.8 -2.4 11.2 7.1 117 129 A E H X S+ 0 0 18 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.869 106.0 55.0 -60.5 -42.3 -0.1 14.3 7.7 118 130 A A H X S+ 0 0 51 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.886 108.6 48.4 -61.3 -34.3 -3.1 16.6 7.7 119 131 A Q H X S+ 0 0 71 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.944 111.9 48.0 -71.9 -45.1 -4.7 14.5 10.5 120 132 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.6 0.894 113.1 49.9 -58.2 -42.3 -1.5 14.5 12.6 121 133 A K H ><5S+ 0 0 95 -4,-2.7 3,-0.7 2,-0.2 -2,-0.2 0.901 108.5 52.0 -61.4 -46.7 -1.3 18.2 12.0 122 134 A K H 3<5S+ 0 0 149 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.8 45.2 -56.7 -38.0 -4.9 18.7 13.1 123 135 A E H 3<5S- 0 0 94 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.556 107.5-128.6 -88.7 -2.1 -4.1 16.8 16.3 124 136 A K T <<5 - 0 0 146 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.912 43.6-179.1 54.1 46.1 -0.9 18.7 16.8 125 137 A L > < - 0 0 42 -5,-2.4 3,-3.1 3,-0.1 -1,-0.2 -0.637 44.0 -56.0 -82.7 134.7 1.0 15.4 17.2 126 138 A N G > S+ 0 0 45 -2,-0.4 3,-1.9 1,-0.3 -30,-0.1 -0.139 136.1 28.9 49.1-103.4 4.7 15.2 17.9 127 139 A I G 3 S+ 0 0 43 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.816 123.6 53.8 -55.4 -33.3 6.4 17.1 15.1 128 140 A W G < 0 0 63 -3,-3.1 -1,-0.3 -33,-0.1 -2,-0.2 0.263 360.0 360.0 -91.3 13.2 3.3 19.3 14.8 129 141 A S < 0 0 108 -3,-1.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.501 360.0 360.0 -63.6 360.0 3.3 20.3 18.5