==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-12 4DU9 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,I.CLARK,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 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 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 84 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.3 2.4 -0.7 -8.2 2 8 A H - 0 0 114 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.995 360.0-121.4-142.5 144.6 3.0 -4.1 -6.7 3 9 A K E -A 63 0A 87 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.603 28.1-168.4 -77.8 138.1 4.2 -5.5 -3.4 4 10 A E E -A 62 0A 22 58,-2.2 58,-2.5 -2,-0.3 2,-0.0 -0.930 27.9 -95.3-121.8 155.6 7.3 -7.8 -3.6 5 11 A P E +A 61 0A 107 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.311 45.7 157.7 -71.5 151.1 8.7 -10.0 -0.8 6 12 A A E -AB 60 21A 9 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.952 26.4-141.2-154.8 166.1 11.5 -9.1 1.5 7 13 A T E - B 0 20A 82 13,-1.3 13,-3.1 -2,-0.3 2,-0.2 -0.974 30.2-103.0-128.6 149.9 12.6 -10.3 5.0 8 14 A L E + B 0 19A 50 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.491 35.1 171.8 -67.2 131.0 13.9 -8.1 7.8 9 15 A I E - 0 0 77 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.764 69.1 -25.6 -97.3 -47.7 17.6 -8.2 8.3 10 16 A K E - B 0 18A 145 8,-1.8 8,-3.0 0, 0.0 -1,-0.3 -0.955 55.0-116.4-165.0 140.7 17.8 -5.4 10.9 11 17 A A E + B 0 17A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.458 32.0 174.7 -66.8 142.5 15.9 -2.2 12.0 12 18 A I - 0 0 85 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.606 50.9 -45.0-113.5 -70.8 18.1 0.9 11.5 13 19 A D S S- 0 0 21 3,-1.9 -1,-0.5 33,-0.1 3,-0.4 -0.708 75.8 -59.6-146.5-159.2 16.1 4.1 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.831 130.9 18.1 -60.2 -38.4 12.7 5.7 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.285 115.7 67.3-124.0 14.0 12.9 5.8 8.0 16 22 A T E + C 0 29A 12 -3,-0.4 -3,-1.9 13,-0.2 -4,-1.2 -0.994 51.4 170.8-131.7 143.4 15.6 3.3 7.1 17 23 A V E -BC 11 28A 2 11,-1.9 11,-3.2 -2,-0.4 2,-0.6 -0.993 31.8-125.1-147.5 146.8 15.6 -0.5 7.4 18 24 A K E +BC 10 27A 67 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.8 -0.842 39.8 171.7 -98.0 118.2 17.9 -3.3 6.2 19 25 A L E -BC 8 26A 2 7,-2.6 7,-2.5 -2,-0.6 2,-0.7 -0.910 37.1-122.3-122.7 151.5 15.9 -5.9 4.3 20 26 A M E +BC 7 25A 81 -13,-3.1 -13,-1.3 -2,-0.3 2,-0.4 -0.888 36.2 180.0 -90.2 123.6 16.8 -8.9 2.2 21 27 A Y E > -BC 6 24A 17 3,-2.7 3,-2.2 -2,-0.7 -15,-0.1 -0.977 68.5 -9.7-132.5 121.1 15.3 -8.3 -1.2 22 28 A K T 3 S- 0 0 152 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.830 131.0 -56.9 52.3 37.6 15.7 -10.8 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.471 117.5 106.1 81.4 5.7 18.1 -12.6 -1.8 24 30 A Q E < S-C 21 0A 125 -3,-2.2 -3,-2.7 -5,-0.0 2,-0.2 -0.922 72.3-115.6-122.6 141.6 20.5 -9.6 -1.3 25 31 A P E +C 20 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.511 43.5 166.4 -72.3 134.8 21.0 -7.4 1.7 26 32 A M E -C 19 0A 44 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.5 -0.989 37.1-128.0-147.5 145.4 20.0 -3.8 1.0 27 33 A T E -C 18 0A 32 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.774 30.7-155.1 -86.8 126.1 19.3 -0.7 3.1 28 34 A F E -Cd 17 76A 4 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.5 -0.873 7.2-154.3-101.4 138.0 15.9 0.8 2.2 29 35 A R E -Cd 16 77A 21 47,-3.6 49,-1.4 -2,-0.4 -13,-0.2 -0.970 29.5-117.0-105.3 126.0 14.9 4.4 2.6 30 36 A L E > - d 0 78A 5 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.412 32.8-117.2 -68.2 121.9 11.2 4.9 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 1,-0.2 -1,-0.1 -0.384 84.5 6.1 -57.2 144.0 9.7 7.0 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.475 108.2 92.2 68.4 16.3 8.0 10.3 0.7 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.858 51.0-160.1-137.0 162.4 8.8 10.7 4.5 34 40 A D E -H 98 0B 54 64,-1.6 64,-2.2 -2,-0.3 3,-0.1 -0.898 9.2-169.3-143.7 114.6 11.4 12.1 6.9 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.719 37.1 -96.3 -89.6 159.2 11.8 10.9 10.4 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.293 46.9 -99.6 -69.2 152.2 14.0 12.9 12.9 37 43 A E > - 0 0 89 1,-0.1 3,-2.2 -24,-0.1 6,-0.2 -0.402 37.4-104.6 -65.0 156.7 17.5 11.5 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.809 123.3 55.1 -52.8 -32.4 18.0 9.4 16.3 39 51 A N T 3 S+ 0 0 140 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.479 100.2 77.1 -82.8 0.1 19.8 12.4 18.0 40 52 A E S X S- 0 0 97 -3,-2.2 3,-2.3 1,-0.1 2,-0.0 -0.558 100.5 -70.7-106.8 165.2 16.9 14.8 17.4 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.389 122.2 8.8 -60.9 134.7 13.6 15.2 19.1 42 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.396 97.4 115.1 70.0 1.9 11.3 12.2 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 -5,-0.2 0.941 76.8 44.4 -65.3 -48.3 14.1 10.4 16.7 44 56 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.862 114.0 51.2 -63.8 -34.8 14.3 7.6 19.2 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.4 48.7 -67.9 -39.1 10.5 7.3 19.2 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.918 111.5 49.2 -62.7 -48.2 10.4 7.1 15.4 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 112.4 48.8 -56.4 -51.6 13.2 4.4 15.5 48 60 A A H X S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.853 110.3 51.6 -55.4 -39.0 11.3 2.5 18.1 49 61 A F H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 113.6 41.8 -68.3 -45.3 8.0 2.7 16.1 50 62 A T H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.912 113.7 53.7 -67.2 -41.9 9.5 1.4 12.9 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.916 111.4 45.7 -57.2 -48.7 11.5 -1.3 14.7 52 64 A K H X S+ 0 0 138 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.954 113.3 50.3 -62.2 -43.6 8.4 -2.6 16.4 53 65 A M H X S+ 0 0 33 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.911 118.0 36.3 -64.6 -43.1 6.4 -2.5 13.2 54 66 A V H < S+ 0 0 7 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.858 117.9 49.4 -82.7 -30.5 9.0 -4.4 11.1 55 67 A E H < S+ 0 0 96 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.814 112.5 48.3 -75.0 -33.8 10.2 -6.9 13.8 56 68 A N H < S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.621 90.2 109.4 -78.6 -12.7 6.6 -7.9 14.8 57 69 A A < - 0 0 19 -4,-0.5 3,-0.2 -3,-0.3 -49,-0.1 -0.398 53.5-161.8 -75.8 135.2 5.6 -8.4 11.2 58 70 A K S S+ 0 0 192 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.850 87.0 27.9 -74.8 -32.4 4.9 -11.9 9.9 59 71 A K - 0 0 115 -52,-0.1 24,-2.9 -3,-0.0 2,-0.4 -0.980 66.9-169.2-136.4 119.6 5.3 -10.6 6.3 60 72 A I E -AE 6 82A 13 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.895 11.6-176.4-102.9 142.8 7.3 -7.6 5.1 61 73 A E E -AE 5 81A 29 20,-2.1 20,-2.7 -2,-0.4 2,-0.4 -0.978 15.3-148.3-132.9 154.1 6.9 -6.4 1.5 62 74 A A E -AE 4 80A 1 -58,-2.5 -58,-2.2 -2,-0.3 2,-0.5 -0.945 9.3-165.0-122.9 132.9 8.6 -3.7 -0.5 63 75 A E E -AE 3 79A 6 16,-2.5 16,-3.0 -2,-0.4 2,-0.2 -0.960 8.2-153.4-121.0 117.1 6.8 -1.8 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.530 12.3-133.3 -84.8 157.9 8.8 0.3 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.124 34.0 -89.8 -93.2-166.6 7.4 3.3 -7.3 66 78 A K S S+ 0 0 174 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.595 104.0 51.8 -81.4 -15.1 7.5 4.2 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.201 105.8 -12.0-106.6-147.9 10.8 6.1 -10.8 68 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.287 46.9-163.6 -63.0 142.5 14.3 5.5 -9.5 69 81 A R S S+ 0 0 110 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.567 74.1 43.5-104.0 -14.3 14.5 2.5 -7.3 70 82 A T B S-F 76 0A 66 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.975 75.1-139.8-127.0 142.2 17.9 3.3 -5.7 71 83 A D > - 0 0 22 4,-2.7 3,-2.1 -2,-0.3 -2,-0.1 -0.333 40.8 -87.6 -90.7-177.5 19.1 6.7 -4.3 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.594 128.0 55.3 -66.0 -12.3 22.5 8.2 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.274 121.2-106.2 -99.4 6.5 23.7 6.4 -1.5 74 86 A G S < S+ 0 0 48 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.583 73.4 144.3 76.9 12.4 22.7 3.0 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.673 54.2-116.3 -81.9 141.6 19.6 2.8 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.4 -47,-3.6 -2,-0.3 2,-0.6 -0.466 23.4-142.7 -71.4 144.0 16.5 1.2 -2.1 77 89 A L E +d 29 0A 18 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.938 42.9 129.1-113.9 114.6 13.5 3.6 -2.3 78 90 A A E -d 30 0A 2 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.974 61.5-105.7-152.6 165.9 10.2 1.9 -1.5 79 91 A Y E -E 63 0A 0 -16,-3.0 -16,-2.5 -2,-0.3 2,-0.4 -0.867 43.1-150.2 -91.9 129.7 7.0 1.9 0.3 80 92 A A E -E 62 0A 5 -2,-0.5 7,-2.9 -18,-0.2 8,-0.7 -0.855 9.3-161.5-107.5 140.7 7.4 -0.8 3.0 81 93 A Y E -EG 61 86A 17 -20,-2.7 -20,-2.1 -2,-0.4 2,-0.5 -0.957 8.6-161.2-122.5 140.2 4.5 -2.9 4.4 82 94 A A E > S-EG 60 85A 8 3,-2.9 3,-2.1 -2,-0.4 -22,-0.2 -0.975 85.6 -21.8-123.0 115.0 4.2 -4.9 7.5 83 95 A D T 3 S- 0 0 87 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.901 130.3 -51.2 44.7 45.4 1.4 -7.5 7.5 84 96 A G T 3 S+ 0 0 47 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.362 114.6 116.5 80.7 -3.8 -0.1 -5.3 4.8 85 97 A K E < -G 82 0A 143 -3,-2.1 -3,-2.9 4,-0.0 2,-0.4 -0.859 69.1-120.9 -95.2 131.9 0.0 -2.0 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.508 14.6-158.0 -74.6 123.7 2.3 0.7 5.1 87 99 A V H > S+ 0 0 2 -7,-2.9 4,-2.5 -2,-0.4 5,-0.3 0.905 92.2 55.8 -64.2 -43.7 5.1 1.7 7.5 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.947 112.0 42.5 -55.5 -47.8 5.5 5.1 5.6 89 101 A E H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 112.6 53.8 -67.4 -42.3 1.9 6.0 6.1 90 102 A A H X S+ 0 0 18 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.905 106.3 51.0 -62.4 -39.6 1.8 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 6,-0.7 0.938 114.2 45.4 -62.0 -47.3 4.8 6.9 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.926 109.5 53.6 -60.5 -44.1 3.1 10.0 9.2 93 105 A R H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 109.3 51.0 -65.9 -26.9 -0.3 9.2 10.8 94 106 A Q T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.361 114.7-112.5 -91.0 5.8 1.4 9.0 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.3 2,-0.2 -3,-0.2 0.755 89.0 113.4 72.5 20.7 3.2 12.4 13.9 96 108 A L S - 0 0 151 -2,-1.3 3,-1.8 3,-0.4 -3,-0.0 -0.786 34.4 -95.6 -98.0 147.4 10.1 13.9 -6.2 104 116 A K T 3 S+ 0 0 212 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.189 107.0 13.4 -60.0 140.0 8.2 13.9 -9.5 105 117 A G T 3 S+ 0 0 37 1,-0.1 -1,-0.3 -38,-0.1 -39,-0.2 0.464 115.9 71.6 65.8 -1.9 7.4 10.4 -10.7 106 118 A N S < S+ 0 0 13 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.401 76.7 90.4-116.4 57.5 8.2 8.6 -7.5 107 119 A N > + 0 0 53 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.083 33.4 132.8-137.7 34.3 5.1 10.0 -5.8 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.855 81.9 39.2 -55.7 -43.2 2.3 7.6 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.136 81.0 113.5 -94.1 19.1 1.2 7.6 -2.6 110 122 A E H <> S+ 0 0 37 -3,-1.9 4,-3.2 1,-0.2 5,-0.2 0.952 77.5 45.2 -57.3 -49.0 1.7 11.3 -1.9 111 123 A Q H > S+ 0 0 126 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.913 110.4 54.6 -68.7 -35.9 -1.9 12.3 -1.4 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 112.9 43.6 -57.2 -45.9 -2.6 9.2 0.9 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 110.6 54.5 -70.1 -37.5 0.4 10.3 3.1 114 126 A R H X S+ 0 0 92 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.897 106.2 52.6 -61.2 -31.6 -0.7 14.0 3.1 115 127 A K H X S+ 0 0 150 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 110.2 48.9 -70.7 -36.4 -4.1 13.0 4.3 116 128 A A H X S+ 0 0 7 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.878 110.1 50.9 -68.6 -43.0 -2.4 11.1 7.1 117 129 A E H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.918 106.2 55.0 -59.2 -41.1 -0.3 14.1 8.0 118 130 A A H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 109.6 47.1 -60.0 -40.2 -3.3 16.3 8.1 119 131 A Q H X S+ 0 0 66 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.896 111.4 49.8 -71.5 -37.2 -4.9 14.0 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.888 111.6 50.5 -66.4 -35.3 -1.8 13.8 12.8 121 133 A K H ><5S+ 0 0 86 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.928 108.8 50.0 -63.6 -45.3 -1.6 17.6 12.7 122 134 A K H 3<5S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.887 113.6 46.6 -59.0 -41.5 -5.3 17.9 13.7 123 135 A E T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.420 107.2-133.2 -83.2 0.4 -4.5 15.5 16.6 124 136 A K T < 5 - 0 0 142 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.852 40.0-177.0 52.9 42.7 -1.4 17.5 17.4 125 137 A L > < - 0 0 42 -5,-2.5 3,-2.9 3,-0.1 -1,-0.2 -0.552 41.8 -56.9 -83.3 130.6 0.6 14.2 17.6 126 138 A N G > S+ 0 0 52 -2,-0.3 3,-2.3 1,-0.3 -30,-0.1 -0.179 135.9 28.9 54.7-108.4 4.2 14.0 18.6 127 139 A I G 3 S+ 0 0 38 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.849 125.9 51.8 -48.9 -36.9 6.1 16.2 16.0 128 140 A W G < 0 0 54 -3,-2.9 -1,-0.3 -33,-0.1 -2,-0.2 0.285 360.0 360.0 -88.3 9.3 2.9 18.3 15.8 129 141 A S < 0 0 106 -3,-2.3 -4,-0.1 -4,-0.2 -5,-0.1 -0.140 360.0 360.0 -87.7 360.0 2.6 18.8 19.6