==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-13 4KY5 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,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) . 7277.0 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 . 34 26.4 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 . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.9 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 0 2 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 87 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.6 2.6 -0.5 -8.4 2 8 A H - 0 0 113 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.985 360.0-120.7-139.6 149.3 3.1 -3.9 -7.0 3 9 A K E -A 63 0A 85 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.651 27.0-170.2 -83.3 139.6 4.3 -5.5 -3.8 4 10 A E E -A 62 0A 22 58,-2.5 58,-2.7 -2,-0.3 2,-0.0 -0.939 27.6 -97.4-126.6 156.1 7.4 -7.8 -3.8 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.291 44.9 157.4 -76.2 153.0 8.7 -10.0 -1.0 6 12 A A E -AB 60 21A 11 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.955 26.2-138.8-156.2 163.9 11.5 -9.1 1.4 7 13 A T E - B 0 20A 82 13,-1.4 13,-3.1 -2,-0.3 2,-0.3 -0.981 27.7-104.7-126.2 152.8 12.7 -10.1 4.8 8 14 A L E + B 0 19A 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.503 34.7 169.8 -70.2 131.4 14.0 -8.1 7.7 9 15 A I E - 0 0 78 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.746 69.4 -21.9-100.6 -53.1 17.8 -8.2 8.2 10 16 A K E - B 0 18A 145 8,-1.9 8,-3.1 0, 0.0 -1,-0.3 -0.984 58.3-118.8-157.9 140.2 18.1 -5.4 10.8 11 17 A A E + B 0 17A 22 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.439 30.6 173.7 -66.6 148.0 16.2 -2.4 12.0 12 18 A I E - 0 0 88 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.551 50.5 -45.3-119.2 -68.5 18.1 0.9 11.6 13 19 A D E > S- B 0 16A 22 3,-2.2 3,-0.6 33,-0.1 -1,-0.5 -0.740 74.7 -59.6-151.1-163.6 16.0 4.0 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.798 131.2 18.8 -59.2 -32.2 12.6 5.5 11.8 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.238 119.7 57.8-127.9 13.3 12.9 5.7 8.0 16 22 A T E < +BC 13 29A 13 -3,-0.6 -3,-2.2 13,-0.2 -4,-1.1 -0.999 50.4 155.2-136.3 148.2 15.6 3.2 7.1 17 23 A D E -BC 11 28A 6 11,-1.7 11,-3.2 -2,-0.3 2,-0.6 -0.973 41.2-103.8-160.1 173.4 16.3 -0.5 7.7 18 24 A K E +BC 10 27A 70 -8,-3.1 -9,-2.9 -2,-0.3 -8,-1.9 -0.912 42.7 171.7-104.2 118.5 18.2 -3.4 6.2 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.5 -2,-0.6 2,-0.7 -0.884 35.6-121.3-122.1 156.9 16.1 -5.9 4.2 20 26 A M E +BC 7 25A 79 -13,-3.1 -13,-1.4 -2,-0.3 2,-0.4 -0.895 35.9 178.9 -96.0 119.1 16.9 -8.9 2.0 21 27 A Y E > -BC 6 24A 21 3,-2.6 3,-2.0 -2,-0.7 -15,-0.1 -0.986 69.3 -9.3-126.3 127.5 15.4 -8.2 -1.4 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.854 131.5 -57.5 47.2 37.4 15.8 -10.7 -4.3 23 29 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.512 117.6 105.5 77.2 11.7 18.2 -12.5 -2.0 24 30 A Q E < S-C 21 0A 127 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.2 -0.951 72.7-114.9-123.4 144.4 20.6 -9.6 -1.4 25 31 A P E +C 20 0A 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.507 43.0 167.1 -75.6 135.5 21.1 -7.3 1.6 26 32 A M E -C 19 0A 42 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.5 -0.998 36.5-125.6-144.3 144.8 20.1 -3.7 0.9 27 33 A T E -C 18 0A 30 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.789 32.1-155.3 -82.7 132.4 19.4 -0.6 3.1 28 34 A F E -Cd 17 76A 1 -11,-3.2 -11,-1.7 -2,-0.5 2,-0.5 -0.894 8.5-157.8-108.9 142.3 16.0 0.8 2.3 29 35 A R E -Cd 16 77A 20 47,-3.3 49,-1.5 -2,-0.4 -13,-0.2 -0.965 28.9-114.5-113.6 132.4 14.9 4.4 2.7 30 36 A L E > - d 0 78A 8 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.415 31.7-119.4 -71.8 127.9 11.2 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.2 -1,-0.1 -0.395 84.5 5.7 -60.9 143.2 9.7 7.0 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.496 108.2 90.3 69.4 12.4 8.0 10.3 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.896 51.7-158.1-135.1 163.8 8.7 10.7 4.6 34 40 A D E -H 98 0B 54 64,-1.7 64,-2.3 -2,-0.3 3,-0.0 -0.926 9.5-168.8-142.4 116.6 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 -0.715 36.9 -97.8 -90.6 157.4 11.6 10.8 10.5 36 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.359 46.3-101.0 -65.1 153.2 13.8 12.7 13.0 37 43 A E > - 0 0 89 1,-0.1 3,-2.5 -24,-0.1 6,-0.3 -0.369 37.3-102.4 -69.3 160.0 17.4 11.3 13.4 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.835 123.1 54.4 -54.2 -35.5 17.9 9.2 16.5 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.420 100.5 79.5 -78.1 1.1 19.7 12.1 18.3 40 52 A E S X S- 0 0 98 -3,-2.5 3,-2.2 1,-0.1 2,-0.0 -0.657 98.7 -73.7-107.3 163.4 16.7 14.5 17.7 41 53 A K T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.316 121.5 9.2 -55.4 132.6 13.3 14.9 19.4 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.339 98.2 113.8 71.9 -2.4 11.0 12.0 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 -29,-0.2 0.917 77.2 43.8 -62.0 -49.1 13.9 10.2 16.9 44 56 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.893 114.6 50.7 -62.4 -34.3 14.0 7.4 19.4 45 57 A E H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.2 47.8 -72.3 -39.1 10.2 7.1 19.3 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.942 112.7 50.0 -64.6 -43.4 10.3 6.9 15.4 47 59 A S H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 112.7 46.1 -60.1 -44.1 13.0 4.3 15.5 48 60 A A H X S+ 0 0 61 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.886 111.0 53.0 -66.6 -36.7 11.1 2.2 18.0 49 61 A F H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.953 114.4 40.0 -65.7 -50.3 7.9 2.5 16.1 50 62 A T H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.919 114.0 54.8 -66.4 -39.2 9.4 1.3 12.8 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.942 112.1 43.0 -60.0 -48.1 11.5 -1.4 14.6 52 64 A K H X S+ 0 0 140 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 113.6 50.8 -63.8 -45.5 8.4 -2.9 16.2 53 65 A M H X S+ 0 0 34 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.925 117.8 37.7 -63.7 -41.8 6.2 -2.7 13.1 54 66 A V H >< S+ 0 0 3 -4,-2.6 3,-0.6 2,-0.2 -2,-0.2 0.912 117.9 48.6 -78.5 -38.3 8.8 -4.4 10.9 55 67 A E H 3< S+ 0 0 86 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.829 111.9 49.2 -73.4 -29.2 10.1 -7.0 13.4 56 68 A N H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.612 89.0 108.2 -84.4 -11.1 6.6 -8.1 14.5 57 69 A A << - 0 0 19 -3,-0.6 3,-0.2 -4,-0.5 -3,-0.0 -0.438 57.6-155.5 -70.9 137.4 5.4 -8.6 10.9 58 70 A K S S+ 0 0 197 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.830 88.7 27.7 -70.6 -33.9 4.8 -12.1 9.6 59 71 A K - 0 0 115 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.980 66.9-166.3-136.9 124.1 5.4 -10.7 6.0 60 72 A I E -AE 6 82A 13 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.4 -0.877 13.3-174.7-102.8 140.5 7.4 -7.7 4.8 61 73 A E E -AE 5 81A 31 20,-2.4 20,-3.0 -2,-0.4 2,-0.4 -0.975 15.0-147.4-134.8 150.7 6.9 -6.4 1.3 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.5 -2,-0.4 2,-0.5 -0.923 9.3-168.3-110.5 137.3 8.6 -3.7 -0.7 63 75 A E E -AE 3 79A 8 16,-2.3 16,-2.8 -2,-0.4 -60,-0.2 -0.951 8.6-156.2-129.9 111.0 6.8 -1.6 -3.3 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.466 14.1-131.4 -77.5 154.7 8.9 0.5 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.166 36.0 -86.9 -90.0-163.9 7.3 3.6 -7.3 66 78 A K S S+ 0 0 153 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.592 105.0 42.7 -83.0 -19.2 7.5 4.4 -11.0 67 79 A G S S+ 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.171 105.3 1.7-101.8-141.8 10.8 6.2 -10.9 68 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.248 47.1-167.8 -51.8 132.2 14.2 5.8 -9.3 69 81 A R S S+ 0 0 115 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.596 72.7 36.2-101.7 -14.7 14.6 2.7 -7.2 70 82 A T B S-F 76 0A 69 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.959 76.0-135.8-134.3 149.4 17.9 3.5 -5.5 71 83 A D > - 0 0 24 4,-2.3 3,-2.3 -2,-0.3 -2,-0.1 -0.399 42.1 -84.5 -94.1-175.8 19.1 6.9 -4.2 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.659 129.5 54.5 -65.0 -16.8 22.6 8.5 -4.6 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.318 120.5-106.5 -95.0 3.9 23.7 6.5 -1.5 74 86 A G S < S+ 0 0 49 -3,-2.3 2,-0.3 1,-0.3 -47,-0.3 0.585 72.9 143.3 81.8 9.7 22.7 3.1 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.3 -47,-0.1 -1,-0.3 -0.636 54.8-116.0 -82.1 140.1 19.6 2.8 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.7 -47,-3.3 -2,-0.3 2,-0.6 -0.521 23.2-143.0 -68.0 144.4 16.5 1.3 -2.1 77 89 A L E +d 29 0A 20 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.942 42.8 131.4-115.1 115.1 13.6 3.7 -2.3 78 90 A A E -d 30 0A 0 -49,-1.5 -47,-2.3 -2,-0.6 2,-0.5 -0.966 61.2-106.1-151.9 164.5 10.3 2.0 -1.5 79 91 A Y E -E 63 0A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.5 -0.878 43.2-149.2 -91.4 128.9 7.0 1.9 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.898 9.6-160.7-107.1 132.3 7.4 -0.9 3.0 81 93 A Y E -EG 61 86A 17 -20,-3.0 -20,-2.4 -2,-0.5 2,-0.6 -0.932 8.2-163.2-115.8 139.5 4.5 -3.0 4.1 82 94 A A E > S-EG 60 85A 5 3,-2.6 3,-2.2 -2,-0.4 -22,-0.2 -0.976 84.7 -23.5-120.6 110.8 4.2 -5.0 7.3 83 95 A D T 3 S- 0 0 66 -24,-3.1 -1,-0.1 -2,-0.6 -23,-0.1 0.900 129.5 -50.1 48.7 44.4 1.4 -7.6 7.1 84 96 A G T 3 S+ 0 0 45 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.325 114.7 116.0 84.6 -8.3 -0.2 -5.4 4.5 85 97 A K E < -G 82 0A 150 -3,-2.2 -3,-2.6 4,-0.0 2,-0.4 -0.829 68.7-121.9 -96.8 131.3 0.0 -2.1 6.5 86 98 A M E > -G 81 0A 8 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.522 13.7-157.5 -76.1 123.7 2.2 0.6 5.0 87 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.5 -2,-0.4 5,-0.2 0.901 92.3 56.7 -64.9 -41.4 5.0 1.6 7.3 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.933 111.4 42.3 -58.1 -48.7 5.4 5.0 5.6 89 101 A E H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 111.3 54.9 -62.6 -42.6 1.8 5.9 6.2 90 102 A A H X S+ 0 0 25 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.888 107.0 50.1 -65.0 -38.3 1.7 4.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 6,-0.7 0.928 113.7 45.7 -60.0 -49.6 4.7 6.8 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 -2,-0.2 0.940 109.9 54.2 -62.3 -43.3 3.0 9.9 9.2 93 105 A R H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.791 109.3 49.1 -62.0 -30.4 -0.4 9.0 10.8 94 106 A Q T 3<5S- 0 0 77 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.352 115.2-113.6 -87.9 3.1 1.3 8.9 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.4 -4,-0.2 -3,-0.2 0.779 86.8 116.4 69.0 26.0 3.1 12.1 13.9 96 108 A L S - 0 0 149 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.771 34.3-101.9 -98.5 141.4 10.1 14.1 -6.1 104 116 A K T 3 S+ 0 0 197 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.275 107.4 25.8 -63.1 142.3 8.1 14.1 -9.3 105 117 A G T 3 S+ 0 0 42 -38,-0.1 -1,-0.2 1,-0.1 -38,-0.2 0.429 116.3 63.1 81.8 -9.7 7.7 10.6 -10.7 106 118 A N S < S+ 0 0 10 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.406 77.1 93.4-130.6 61.6 8.2 8.8 -7.4 107 119 A N > + 0 0 56 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.049 32.5 132.5-139.0 30.8 5.1 10.2 -5.7 108 120 A T T 3 S+ 0 0 51 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.878 81.8 38.6 -56.4 -42.2 2.3 7.7 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.190 81.6 113.8 -96.9 20.5 1.2 7.7 -2.5 110 122 A E H <> S+ 0 0 39 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.930 78.2 44.6 -57.5 -50.3 1.7 11.4 -1.8 111 123 A Q H > S+ 0 0 126 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.906 110.5 54.4 -66.7 -34.9 -2.0 12.3 -1.3 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 113.3 44.6 -58.6 -44.1 -2.6 9.2 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 109.5 53.5 -73.0 -36.2 0.3 10.3 3.1 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.889 106.6 54.0 -64.7 -33.3 -0.7 14.0 3.2 115 127 A K H X S+ 0 0 131 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.940 109.3 48.4 -65.4 -39.9 -4.2 12.9 4.4 116 128 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.896 110.3 51.7 -63.5 -41.6 -2.5 11.0 7.3 117 129 A E H X S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.922 106.7 52.4 -62.9 -38.9 -0.4 14.0 8.1 118 130 A A H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 111.0 48.7 -62.4 -41.3 -3.4 16.3 8.3 119 131 A Q H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.937 111.7 48.4 -64.8 -47.5 -5.0 13.8 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.3 0.909 113.2 47.9 -59.3 -38.1 -1.9 13.6 12.9 121 133 A K H ><5S+ 0 0 122 -4,-2.7 3,-1.4 2,-0.2 -2,-0.2 0.920 108.6 53.1 -71.2 -40.9 -1.6 17.4 13.0 122 134 A K H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.900 112.2 47.7 -57.2 -43.2 -5.4 17.7 13.9 123 135 A E T 3<5S- 0 0 99 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.476 107.4-129.5 -77.7 -3.6 -4.7 15.3 16.8 124 136 A K T < 5 + 0 0 140 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.829 43.9 178.8 56.0 41.9 -1.6 17.2 17.9 125 137 A L > < - 0 0 42 -5,-2.3 3,-2.6 3,-0.1 -1,-0.2 -0.613 44.4 -58.2 -86.9 130.5 0.4 13.9 17.9 126 138 A N G > S+ 0 0 51 -2,-0.4 3,-2.5 1,-0.3 -30,-0.2 -0.193 135.0 27.3 55.5-112.3 4.1 13.7 18.7 127 139 A I G 3 S+ 0 0 43 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.862 127.4 51.2 -49.6 -32.7 6.0 16.0 16.2 128 140 A W G < 0 0 52 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.2 0.261 360.0 360.0 -89.5 6.6 2.8 18.1 16.0 129 141 A S < 0 0 102 -3,-2.5 -4,-0.1 -34,-0.1 -5,-0.1 -0.368 360.0 360.0 -80.1 360.0 2.4 18.4 19.8