==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-08 3ERQ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7249.0 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 . 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 . 8 6.2 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 68 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.2 2.1 -0.9 -7.8 2 8 A H - 0 0 135 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.998 360.0-120.2-138.9 146.9 2.7 -4.4 -6.5 3 9 A K E -A 63 0A 97 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.551 27.6-168.4 -80.2 132.3 3.8 -6.0 -3.2 4 10 A E E -A 62 0A 24 58,-2.5 58,-3.5 -2,-0.3 -2,-0.0 -0.972 24.5-105.4-124.9 143.5 6.9 -8.2 -3.2 5 11 A P E +A 61 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.181 43.6 157.1 -63.2 150.9 8.2 -10.5 -0.5 6 12 A A E -A 60 0A 14 54,-1.2 54,-0.6 15,-0.1 2,-0.4 -0.940 30.2-132.0-165.5 156.8 11.2 -9.7 1.7 7 13 A T E -B 20 0A 87 13,-1.8 13,-2.9 -2,-0.3 52,-0.0 -0.964 30.0-106.7-119.0 136.7 12.5 -10.7 5.1 8 14 A L E +B 19 0A 50 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.308 34.9 170.7 -49.7 131.9 13.8 -8.4 7.8 9 15 A I E - 0 0 69 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.671 69.7 -24.0-100.8 -52.5 17.5 -8.4 8.3 10 16 A K E -B 18 0A 142 8,-2.5 8,-3.3 44,-0.0 -1,-0.2 -0.962 50.9-123.9-161.5 137.1 17.6 -5.4 10.7 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.592 31.1 177.6 -67.3 138.2 15.6 -2.4 11.8 12 18 A I - 0 0 85 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.747 51.3 -42.0-113.6 -62.4 17.9 0.6 11.4 13 19 A D S S- 0 0 22 3,-1.9 -1,-0.5 33,-0.1 3,-0.5 -0.778 80.4 -56.6-147.4-159.8 16.0 3.8 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 -2,-0.2 23,-0.1 0.860 131.5 16.7 -51.8 -40.2 12.6 5.4 11.9 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.231 113.0 70.3-128.9 17.8 12.8 5.3 8.0 16 22 A T E + C 0 29A 11 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.5 -0.997 50.6 175.8-137.3 135.2 15.5 2.8 7.0 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.3 -2,-0.4 2,-0.5 -1.000 24.7-135.5-142.6 127.6 15.3 -0.9 7.3 18 24 A K E +BC 10 27A 81 -8,-3.3 -9,-2.7 -2,-0.4 -8,-2.5 -0.798 37.2 164.7 -88.7 128.2 17.7 -3.5 6.1 19 25 A K E -BC 8 26A 0 7,-3.0 7,-2.8 -2,-0.5 2,-0.6 -0.884 42.2-113.0-133.4 166.4 16.1 -6.5 4.4 20 26 A M E +BC 7 25A 77 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.4 -0.933 38.4 178.7 -97.6 125.6 16.8 -9.4 2.3 21 27 A Y E > - C 0 24A 23 3,-2.6 3,-1.7 -2,-0.6 -15,-0.1 -0.988 67.4 -13.3-134.1 122.9 15.1 -8.9 -1.1 22 28 A K T 3 S- 0 0 155 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.931 131.5 -51.6 46.4 47.5 15.3 -11.4 -3.9 23 29 A G T 3 S+ 0 0 48 1,-0.1 -1,-0.3 -3,-0.1 -17,-0.0 0.282 118.4 103.2 86.6 -9.0 18.2 -13.1 -2.1 24 30 A Q E < S-C 21 0A 129 -3,-1.7 -3,-2.6 2,-0.0 -1,-0.1 -0.884 74.9-114.2-118.6 135.0 20.3 -10.0 -1.5 25 31 A P E +C 20 0A 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.446 45.3 173.7 -59.8 132.1 20.9 -7.8 1.6 26 32 A M E -C 19 0A 36 -7,-2.8 -7,-3.0 -2,-0.1 2,-0.6 -0.940 30.3-137.2-151.9 126.0 19.4 -4.4 0.8 27 33 A T E -C 18 0A 47 -2,-0.3 49,-2.3 47,-0.3 2,-0.5 -0.743 25.3-152.5 -86.5 120.4 18.9 -1.3 2.9 28 34 A F E -Cd 17 76A 0 -11,-3.3 -11,-2.1 -2,-0.6 2,-0.5 -0.828 8.2-158.3 -98.8 132.1 15.5 0.3 2.2 29 35 A R E -Cd 16 77A 21 47,-3.6 49,-1.4 -2,-0.5 2,-0.3 -0.934 30.7-116.2-103.8 128.7 14.7 4.0 2.6 30 36 A L E > - d 0 78A 1 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.474 30.0-120.7 -72.4 126.4 11.0 4.6 3.1 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.3 -1,-0.1 -0.352 83.8 5.4 -62.7 140.8 9.4 6.6 0.3 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.467 107.4 94.1 74.5 8.3 7.7 9.9 1.0 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.895 50.6-160.4-132.4 157.8 8.6 10.2 4.7 34 40 A D E -H 98 0B 50 64,-1.9 64,-2.0 -2,-0.3 3,-0.0 -0.893 10.0-171.2-137.8 108.9 11.2 11.8 6.9 35 41 A T - 0 0 0 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.667 37.0 -99.7 -85.4 153.3 11.7 10.5 10.5 36 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 11,-0.1 -0.378 45.6 -96.5 -65.3 154.9 14.0 12.5 12.8 37 43 A E > - 0 0 90 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.309 39.6-103.2 -65.4 158.2 17.5 11.2 13.2 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.848 123.0 53.0 -55.2 -33.8 18.0 9.1 16.3 39 51 A N T 3 S+ 0 0 138 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.459 98.7 80.4 -84.3 -2.9 19.8 12.0 18.0 40 52 A E S X S- 0 0 98 -3,-2.4 3,-1.9 1,-0.1 2,-0.1 -0.564 100.5 -72.6 -97.8 168.6 16.9 14.4 17.4 41 53 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.416 122.3 9.7 -63.1 129.1 13.7 14.8 19.3 42 54 A Y T 3> S+ 0 0 45 -2,-0.1 4,-2.8 -4,-0.1 -1,-0.3 0.290 96.7 113.9 77.7 -4.9 11.3 11.8 18.5 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-3.1 -6,-0.3 5,-0.2 0.959 76.8 46.0 -55.5 -53.4 14.2 10.0 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 115.0 47.7 -63.9 -36.0 14.4 7.2 19.3 45 57 A E H > S+ 0 0 87 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.890 111.5 50.7 -68.7 -37.8 10.6 6.9 19.3 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.968 112.4 46.6 -62.3 -49.7 10.6 6.9 15.4 47 59 A S H X S+ 0 0 14 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.900 115.2 46.4 -55.2 -46.4 13.2 4.1 15.4 48 60 A A H X S+ 0 0 55 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.888 110.0 53.4 -69.8 -38.9 11.4 2.1 18.0 49 61 A F H X S+ 0 0 60 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.945 114.2 41.2 -57.8 -48.1 8.0 2.5 16.3 50 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.901 114.7 53.6 -68.0 -39.7 9.4 1.2 13.0 51 63 A K H X S+ 0 0 105 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.929 110.6 43.5 -61.0 -52.4 11.4 -1.5 14.8 52 64 A K H X S+ 0 0 139 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.904 114.8 53.5 -59.0 -40.8 8.5 -3.0 16.7 53 65 A M H X S+ 0 0 31 -4,-1.8 4,-0.5 -5,-0.3 -2,-0.2 0.929 116.0 34.5 -66.8 -45.2 6.4 -2.7 13.5 54 66 A V H < S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.860 118.6 53.1 -77.9 -31.1 8.8 -4.7 11.2 55 67 A E H < S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.838 109.9 46.8 -73.3 -32.2 9.9 -7.0 14.0 56 68 A N H < S+ 0 0 114 -4,-2.4 2,-0.2 -5,-0.2 -1,-0.2 0.565 89.6 105.5 -82.6 -14.0 6.4 -8.1 15.0 57 69 A A < - 0 0 17 -4,-0.5 3,-0.2 -3,-0.3 -3,-0.0 -0.503 53.2-163.2 -72.0 136.8 5.2 -8.7 11.4 58 70 A K S S+ 0 0 185 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.843 85.9 35.6 -81.8 -30.0 4.9 -12.2 10.2 59 71 A K - 0 0 104 -3,-0.1 24,-2.9 -52,-0.0 2,-0.5 -0.968 69.7-168.8-131.0 114.3 4.9 -11.1 6.6 60 72 A I E -AE 6 82A 12 -54,-0.6 -54,-1.2 -2,-0.5 2,-0.4 -0.900 9.9-171.6-100.7 129.4 7.0 -8.1 5.3 61 73 A E E -AE 5 81A 25 20,-2.3 20,-2.6 -2,-0.5 2,-0.4 -0.949 12.2-150.7-123.3 145.8 6.3 -6.8 1.8 62 74 A V E -AE 4 80A 0 -58,-3.5 -58,-2.5 -2,-0.4 2,-0.5 -0.938 9.1-167.0-113.9 135.0 8.1 -4.2 -0.3 63 75 A E E -AE 3 79A 9 16,-2.8 16,-2.9 -2,-0.4 -60,-0.2 -0.924 6.0-156.5-127.9 104.2 6.4 -2.1 -2.8 64 76 A F E - E 0 78A 9 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.452 13.1-138.4 -69.4 147.8 8.3 -0.1 -5.4 65 77 A D - 0 0 11 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.085 32.5 -92.7 -86.7-161.7 6.8 3.0 -7.0 66 78 A K S S+ 0 0 172 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.777 103.1 60.4 -92.7 -24.7 7.0 3.9 -10.8 67 79 A G S S- 0 0 25 38,-1.1 39,-0.1 1,-0.2 2,-0.0 0.345 107.8 -21.2 -76.8-147.7 10.1 6.2 -10.6 68 80 A Q - 0 0 114 1,-0.1 -3,-0.2 -4,-0.0 -1,-0.2 -0.318 46.8-157.9 -70.6 147.5 13.6 5.2 -9.5 69 81 A R S S+ 0 0 114 -3,-0.1 8,-2.6 1,-0.1 2,-0.4 0.608 75.2 42.2-100.3 -22.0 14.1 2.1 -7.2 70 82 A T B S-F 76 0A 74 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.965 75.1-136.7-124.6 144.3 17.4 2.9 -5.6 71 83 A D > - 0 0 22 4,-2.5 3,-2.3 -2,-0.4 -2,-0.1 -0.326 41.2 -87.5 -86.5-177.7 18.7 6.3 -4.3 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.595 129.6 55.9 -71.3 -9.1 22.2 7.8 -4.8 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.304 122.3-106.1 -98.3 6.6 23.4 5.9 -1.8 74 86 A G S < S+ 0 0 54 -3,-2.3 2,-0.4 1,-0.3 -47,-0.3 0.690 71.8 146.5 78.2 18.2 22.2 2.6 -3.2 75 87 A R - 0 0 68 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.722 52.8-116.5 -89.4 137.0 19.2 2.3 -0.9 76 88 A G E -dF 28 70A 0 -49,-2.3 -47,-3.6 -2,-0.4 2,-0.6 -0.420 24.5-144.2 -63.5 144.5 16.0 0.7 -2.1 77 89 A L E +d 29 0A 19 -8,-2.6 -12,-0.5 -49,-0.2 2,-0.3 -0.943 40.2 136.9-119.9 110.6 13.2 3.1 -2.2 78 90 A A E -dE 30 64A 0 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.944 58.9-110.4-146.7 158.4 9.9 1.5 -1.3 79 91 A Y E - E 0 63A 0 -16,-2.9 -16,-2.8 -2,-0.3 2,-0.4 -0.873 44.5-148.8 -85.4 134.5 6.6 1.6 0.5 80 92 A I E - E 0 62A 1 -2,-0.5 7,-2.5 -18,-0.2 8,-0.7 -0.908 10.7-161.7-114.4 136.8 7.0 -1.1 3.2 81 93 A Y E -GE 86 61A 13 -20,-2.6 -20,-2.3 -2,-0.4 2,-0.6 -0.951 9.6-162.4-123.0 134.4 4.1 -3.2 4.7 82 94 A A E > S-GE 85 60A 7 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.961 86.9 -24.6-116.1 109.0 4.0 -5.2 7.9 83 95 A D T 3 S- 0 0 74 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.907 130.1 -47.6 46.9 47.4 1.1 -7.7 7.7 84 96 A G T 3 S+ 0 0 47 -25,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.366 115.3 116.5 84.7 -6.9 -0.6 -5.5 5.1 85 97 A K E < -G 82 0A 142 -3,-1.8 -3,-3.0 4,-0.0 2,-0.5 -0.876 67.1-126.7 -96.5 123.9 -0.2 -2.3 7.1 86 98 A M E > -G 81 0A 10 -2,-0.6 4,-1.9 -5,-0.3 -5,-0.3 -0.525 13.5-160.7 -72.2 116.7 2.0 0.3 5.5 87 99 A V H > S+ 0 0 1 -7,-2.5 4,-2.8 -2,-0.5 5,-0.3 0.902 90.2 57.1 -59.4 -48.9 4.8 1.5 7.8 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.952 112.6 40.4 -48.0 -55.2 5.4 4.7 5.8 89 101 A E H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 113.1 56.6 -63.4 -35.3 1.7 5.7 6.3 90 102 A A H X S+ 0 0 22 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.877 104.6 49.8 -70.8 -37.9 1.7 4.5 9.9 91 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 6,-0.9 0.881 113.1 47.8 -61.9 -44.0 4.7 6.7 11.0 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.6 -5,-0.3 -2,-0.2 0.902 107.6 55.5 -65.7 -38.3 3.0 9.7 9.5 93 105 A R H 3<5S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.8 46.9 -65.0 -30.1 -0.3 8.9 11.1 94 106 A Q T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.367 114.7-115.5 -95.6 6.6 1.4 8.9 14.5 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.5 2,-0.2 -3,-0.2 0.832 86.0 117.5 64.7 30.1 3.2 12.1 13.9 96 108 A L S - 0 0 154 -2,-1.2 3,-1.3 3,-0.4 -36,-0.1 -0.697 38.0-114.7 -99.6 156.4 9.7 13.5 -6.2 104 116 A K T 3 S+ 0 0 186 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.811 110.7 53.6 -61.1 -36.1 7.8 13.3 -9.5 105 117 A G T 3 S+ 0 0 41 1,-0.2 -38,-1.1 -39,-0.1 -39,-0.4 0.797 115.5 37.6 -64.0 -25.3 8.8 9.7 -10.3 106 118 A N S < S+ 0 0 10 -3,-1.3 -3,-0.4 -40,-0.2 -1,-0.2 -0.616 74.6 105.6-142.2 62.0 7.7 8.3 -7.1 107 119 A N > + 0 0 52 -3,-0.4 3,-2.5 -2,-0.3 4,-0.3 0.211 25.8 129.2-136.8 22.9 4.5 9.6 -5.5 108 120 A T T 3 S+ 0 0 77 1,-0.3 3,-0.5 -3,-0.1 4,-0.3 0.902 85.4 39.0 -46.3 -50.7 1.6 7.2 -5.9 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.176 82.2 114.5 -92.9 21.8 0.7 7.3 -2.2 110 122 A E H <> S+ 0 0 28 -3,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 78.2 42.8 -56.6 -47.7 1.3 11.0 -1.7 111 123 A Q H > S+ 0 0 131 -3,-0.5 4,-2.9 -4,-0.3 -1,-0.2 0.915 110.2 57.4 -72.5 -37.4 -2.3 11.9 -0.9 112 124 A L H > S+ 0 0 69 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.958 111.7 41.7 -49.6 -54.6 -2.8 9.0 1.4 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.821 112.4 53.2 -68.3 -34.2 0.1 10.0 3.5 114 126 A R H X S+ 0 0 99 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.905 106.2 54.8 -67.2 -36.4 -0.8 13.7 3.5 115 127 A K H X S+ 0 0 151 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.967 110.5 46.0 -55.3 -50.8 -4.3 12.6 4.6 116 128 A A H X S+ 0 0 6 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.863 110.9 51.6 -60.3 -41.6 -2.5 10.9 7.6 117 129 A E H X S+ 0 0 22 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.896 105.9 55.7 -66.2 -36.6 -0.3 13.9 8.3 118 130 A A H X S+ 0 0 37 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.970 111.8 43.1 -57.5 -47.6 -3.4 16.1 8.3 119 131 A Q H X S+ 0 0 84 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.897 113.6 51.2 -68.8 -39.3 -4.9 13.8 11.0 120 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 -1,-0.2 0.887 114.0 43.9 -58.2 -44.9 -1.6 13.6 12.9 121 133 A K H ><5S+ 0 0 85 -4,-2.8 3,-2.7 1,-0.2 -2,-0.2 0.959 107.1 61.3 -66.9 -47.5 -1.3 17.4 12.9 122 134 A K H 3<5S+ 0 0 140 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.839 110.7 40.5 -40.8 -43.6 -5.0 17.7 13.8 123 135 A E T 3<5S- 0 0 91 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.354 107.7-121.2 -95.5 5.7 -4.3 15.8 17.1 124 136 A K T < 5 - 0 0 123 -3,-2.7 2,-0.3 -4,-0.2 -3,-0.2 0.905 46.3-175.2 53.1 44.9 -0.9 17.5 17.9 125 137 A L > < - 0 0 39 -5,-2.2 3,-3.2 3,-0.1 -1,-0.2 -0.549 45.4 -60.6 -79.1 135.0 0.7 14.0 17.8 126 138 A N G > S+ 0 0 54 1,-0.3 3,-2.2 -2,-0.3 -30,-0.2 -0.005 136.7 32.3 32.2 -97.5 4.4 13.7 18.8 127 139 A I G 3 S+ 0 0 39 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.796 120.0 55.2 -55.1 -29.7 6.2 16.0 16.3 128 140 A W G < 0 0 48 -3,-3.2 -1,-0.3 -33,-0.2 -2,-0.2 0.219 360.0 360.0 -92.2 17.5 3.2 18.3 16.1 129 141 A S < 0 0 103 -3,-2.2 -4,-0.1 -4,-0.2 -5,-0.1 0.112 360.0 360.0-124.2 360.0 3.1 19.0 19.9