==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-97 3NUC . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.WYNN,P.C.HARKINS,F.M.RICHARDS,R.O.FOX . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 23.7 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 2 0 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 97 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 172.9 0.8 36.7 21.0 2 8 A H - 0 0 131 68,-0.5 68,-0.5 69,-0.0 2,-0.2 -0.992 360.0-132.8-146.4 129.4 4.1 38.1 19.9 3 9 A K E -A 69 0A 79 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.583 22.0-171.1 -82.4 146.2 6.6 36.9 17.3 4 10 A E E -A 68 0A 38 64,-2.1 64,-3.1 -2,-0.2 -2,-0.0 -0.998 26.5-106.3-137.2 142.2 10.3 36.8 18.1 5 11 A P E +A 67 0A 93 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.287 39.1 171.4 -68.3 149.1 13.3 36.1 15.9 6 12 A A E -A 66 0A 11 60,-1.8 60,-0.6 15,-0.1 2,-0.4 -0.935 25.6-130.7-149.5 162.1 15.2 32.7 16.1 7 13 A T E -B 20 0A 96 13,-1.8 13,-3.1 -2,-0.3 2,-0.1 -0.988 25.2-116.4-125.1 127.8 17.9 31.2 14.0 8 14 A L E +B 19 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.362 34.5 169.6 -61.9 132.1 17.7 27.6 12.6 9 15 A I E - 0 0 74 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.740 67.4 -16.4-105.3 -53.5 20.4 25.4 14.0 10 16 A K E -B 18 0A 107 8,-1.7 8,-2.9 0, 0.0 2,-0.4 -0.951 53.5-131.6-160.4 131.9 19.1 22.0 12.8 11 17 A A E +B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.664 26.7 175.5 -80.7 131.7 15.9 20.4 11.5 12 18 A I - 0 0 56 4,-1.5 2,-0.2 1,-0.4 5,-0.2 0.840 54.5 -39.3-103.8 -58.1 15.2 17.1 13.4 13 19 A D S S- 0 0 11 3,-2.2 -1,-0.4 39,-0.1 3,-0.2 -0.826 80.9 -58.3-152.5-165.1 11.9 15.8 12.2 14 20 A G S S+ 0 0 0 22,-0.3 83,-0.1 35,-0.3 23,-0.1 0.816 130.4 16.3 -56.4 -37.2 8.4 17.0 11.2 15 21 A D S S+ 0 0 7 21,-0.1 15,-2.4 20,-0.1 2,-0.4 0.410 116.5 66.1-121.5 4.6 7.6 18.7 14.5 16 22 A T E + C 0 29A 14 -3,-0.2 -3,-2.2 13,-0.2 -4,-1.5 -0.981 51.4 152.3-132.4 137.1 10.9 19.1 16.3 17 23 A X E -BC 11 28A 0 11,-1.7 11,-3.0 -2,-0.4 2,-0.5 -0.939 40.4-110.0-151.2 172.2 14.0 21.3 15.5 18 24 A K E +BC 10 27A 63 -8,-2.9 -9,-2.7 -2,-0.3 -8,-1.7 -0.947 38.0 179.0-113.0 128.9 16.9 23.0 17.2 19 25 A L E -BC 8 26A 0 7,-3.1 7,-2.3 -2,-0.5 2,-0.8 -0.921 34.1-122.5-130.4 154.1 16.9 26.8 17.2 20 26 A M E +BC 7 25A 72 -13,-3.1 -13,-1.8 -2,-0.3 2,-0.5 -0.867 41.8 179.9 -92.9 112.5 19.1 29.6 18.5 21 27 A Y E > - C 0 24A 28 3,-3.4 3,-2.2 -2,-0.8 -15,-0.1 -0.979 59.7 -18.8-124.9 124.1 16.8 31.5 20.7 22 28 A K T 3 S- 0 0 108 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.843 130.6 -47.9 53.8 38.4 17.7 34.7 22.7 23 29 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.168 124.2 93.6 91.6 -19.4 21.3 33.7 22.4 24 30 A Q E < S-C 21 0A 89 -3,-2.2 -3,-3.4 2,-0.0 2,-0.2 -0.870 70.7-124.6-117.1 144.2 20.9 30.1 23.5 25 31 A P E +C 20 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.578 42.1 152.8 -79.0 139.4 20.4 26.8 21.5 26 32 A M E -C 19 0A 40 -7,-2.3 -7,-3.1 -2,-0.2 2,-0.3 -0.985 43.5-103.8-161.5 157.5 17.4 24.8 22.4 27 33 A T E -C 18 0A 44 -2,-0.3 55,-2.8 -9,-0.2 2,-0.3 -0.699 32.5-157.7 -90.7 139.9 15.0 22.3 20.9 28 34 A F E -Cd 17 82A 0 -11,-3.0 -11,-1.7 -2,-0.3 2,-0.4 -0.893 5.2-158.4-115.8 148.7 11.5 23.4 19.9 29 35 A R E -Cd 16 83A 15 53,-3.1 55,-1.4 -2,-0.3 -13,-0.2 -0.997 29.5-111.5-128.3 130.5 8.3 21.4 19.5 30 36 A L E > - d 0 84A 2 -15,-2.4 3,-0.8 -2,-0.4 55,-0.2 -0.429 33.7-120.2 -65.1 129.2 5.4 22.7 17.4 31 37 A L T 3 S+ 0 0 11 53,-2.6 55,-0.1 1,-0.2 -1,-0.1 -0.381 84.0 4.8 -69.7 148.6 2.3 23.6 19.4 32 38 A L T 3 S+ 0 0 3 75,-0.5 74,-1.2 80,-0.2 2,-0.3 0.485 110.9 84.3 58.4 13.4 -1.0 21.8 18.7 33 39 A V E < -H 105 0B 0 -3,-0.8 2,-0.4 72,-0.3 72,-0.2 -0.916 54.0-155.8-140.5 164.3 0.2 19.3 16.1 34 40 A D E -H 104 0B 22 70,-1.8 70,-1.7 -2,-0.3 3,-0.1 -0.922 5.7-165.5-143.9 115.0 1.8 15.9 15.8 35 41 A T - 0 0 2 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.672 44.2 -84.6 -91.0 155.2 3.8 14.7 12.8 36 42 A P - 0 0 4 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.244 48.7-101.3 -62.6 150.0 4.4 11.0 12.6 37 43 A E + 0 0 44 1,-0.1 9,-2.9 6,-0.1 12,-0.2 -0.358 40.5 164.2 -71.8 145.8 7.4 9.4 14.4 38 44 A T S S+ 0 0 28 7,-0.2 7,-0.2 11,-0.1 -1,-0.1 0.233 76.8 41.3-140.0 3.0 10.6 8.4 12.7 39 45 A K S S+ 0 0 124 5,-0.3 6,-0.1 1,-0.1 5,-0.1 0.786 83.5 82.2-118.7 -63.1 12.8 8.0 15.9 40 46 A H >> - 0 0 101 1,-0.1 4,-2.6 4,-0.1 3,-1.6 -0.357 61.7-146.3 -60.0 120.8 11.2 6.3 18.9 41 47 A P T 34 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.727 96.6 64.6 -56.1 -30.3 11.3 2.5 18.7 42 48 A K T 34 S+ 0 0 155 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.832 117.9 25.2 -64.2 -34.7 8.0 2.2 20.6 43 49 A K T <4 S- 0 0 83 -3,-1.6 -1,-0.2 1,-0.1 -6,-0.1 0.656 99.1-161.2-101.8 -21.0 6.2 4.0 17.7 44 50 A G < - 0 0 28 -4,-2.6 2,-0.9 1,-0.1 -5,-0.3 -0.175 50.3 -34.4 67.1-170.6 8.7 3.0 15.0 45 51 A V S S- 0 0 104 -7,-0.2 -7,-0.2 -6,-0.1 2,-0.1 -0.798 74.6-153.7 -85.8 106.6 8.8 4.8 11.7 46 52 A E > - 0 0 64 -9,-2.9 3,-2.2 -2,-0.9 -2,-0.1 -0.471 28.1 -82.2 -82.6 155.8 5.2 5.8 11.1 47 53 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.313 117.3 12.5 -57.5 133.3 3.6 6.4 7.7 48 54 A Y T 3> S+ 0 0 48 -3,-0.1 4,-3.0 -13,-0.1 -1,-0.3 0.336 93.4 116.6 77.5 -1.2 4.3 9.9 6.4 49 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.2 -35,-0.3 0.961 79.4 41.9 -59.3 -55.3 6.9 10.4 9.1 50 56 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.805 115.0 52.8 -61.3 -32.7 9.7 10.8 6.6 51 57 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 108.8 47.8 -70.0 -45.0 7.4 12.9 4.4 52 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.923 111.3 52.2 -62.4 -43.1 6.6 15.3 7.2 53 59 A S H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.913 110.7 47.0 -59.1 -45.8 10.3 15.6 8.1 54 60 A A H X S+ 0 0 39 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.900 111.0 51.3 -64.2 -41.7 11.2 16.5 4.6 55 61 A F H X S+ 0 0 62 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.960 114.9 42.2 -60.0 -51.8 8.5 19.1 4.2 56 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.919 113.5 52.4 -60.8 -48.0 9.5 20.8 7.4 57 63 A K H X S+ 0 0 83 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.954 111.9 46.0 -54.4 -52.5 13.2 20.6 6.7 58 64 A K H X S+ 0 0 100 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.947 113.6 50.2 -56.2 -50.0 12.7 22.2 3.3 59 65 A M H < S+ 0 0 40 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.867 116.8 37.5 -59.7 -43.6 10.5 24.9 4.7 60 66 A V H >< S+ 0 0 2 -4,-2.9 3,-0.6 2,-0.2 -1,-0.2 0.859 114.5 52.9 -82.5 -31.2 12.8 26.0 7.5 61 67 A E H 3< S+ 0 0 90 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.843 110.6 47.4 -71.9 -31.4 16.1 25.6 5.7 62 68 A N T 3< S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.472 89.1 110.7 -89.2 -0.7 15.0 27.8 2.8 63 69 A A < - 0 0 24 -3,-0.6 3,-0.1 -4,-0.3 -3,-0.0 -0.432 56.6-154.7 -78.7 146.0 13.5 30.6 4.8 64 70 A K S S+ 0 0 166 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.797 86.2 27.5 -81.7 -34.2 15.1 34.0 5.1 65 71 A K - 0 0 132 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.989 61.1-168.3-137.3 137.7 13.5 34.5 8.5 66 72 A I E -AE 6 88A 15 -60,-0.6 -60,-1.8 -2,-0.4 2,-0.3 -0.956 11.9-176.4-122.2 136.6 12.3 32.3 11.3 67 73 A E E -AE 5 87A 53 20,-1.9 20,-2.8 -2,-0.4 2,-0.4 -0.988 13.5-149.0-133.8 143.0 10.1 33.5 14.2 68 74 A V E -AE 4 86A 0 -64,-3.1 -64,-2.1 -2,-0.3 2,-0.4 -0.884 7.8-167.4-111.9 142.9 8.8 31.8 17.3 69 75 A E E -AE 3 85A 11 16,-2.0 16,-2.3 -2,-0.4 -66,-0.2 -0.928 8.9-154.9-134.8 104.6 5.5 32.7 18.9 70 76 A F E - E 0 84A 19 -68,-0.5 -68,-0.5 -2,-0.4 14,-0.2 -0.429 16.1-129.8 -74.5 154.6 4.9 31.4 22.4 71 77 A D - 0 0 1 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.179 33.7 -88.8 -90.5-165.9 1.3 30.9 23.5 72 78 A K S S+ 0 0 123 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.570 104.7 51.4 -85.4 -9.0 -0.2 32.2 26.8 73 79 A G S S- 0 0 15 1,-0.3 37,-0.0 36,-0.1 2,-0.0 0.132 108.2 -13.8-102.9-143.0 0.5 29.2 28.9 74 80 A Q - 0 0 115 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.330 49.5-154.5 -62.5 141.6 3.7 27.2 29.6 75 81 A R S S+ 0 0 123 -3,-0.1 8,-2.7 -5,-0.1 2,-0.3 0.512 74.3 38.0 -96.1 -6.5 6.5 27.9 27.2 76 82 A T B S-F 82 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.962 73.2-132.4-141.1 154.3 8.3 24.5 27.6 77 83 A D > - 0 0 33 4,-2.0 3,-2.2 -2,-0.3 -2,-0.0 -0.383 45.3 -82.2 -96.3-176.7 7.2 20.9 28.0 78 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.693 128.7 56.1 -60.6 -19.2 8.4 18.3 30.5 79 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.293 120.5-106.8 -94.9 6.9 11.5 17.5 28.2 80 86 A G S < S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -53,-0.2 0.666 71.4 146.1 77.5 15.2 12.6 21.1 28.3 81 87 A R - 0 0 64 -55,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.665 53.4-114.4 -86.1 138.3 11.5 21.7 24.7 82 88 A G E -dF 28 76A 0 -55,-2.8 -53,-3.1 -2,-0.3 2,-0.6 -0.494 25.7-144.4 -69.7 141.4 10.2 25.2 23.8 83 89 A L E +d 29 0A 24 -8,-2.7 -12,-0.5 -55,-0.2 2,-0.3 -0.935 40.9 128.5-112.2 112.7 6.5 25.1 22.8 84 90 A A E -dE 30 70A 0 -55,-1.4 -53,-2.6 -2,-0.6 2,-0.5 -0.917 62.2-102.7-154.3 174.4 5.6 27.6 20.0 85 91 A Y E - E 0 69A 0 -16,-2.3 -16,-2.0 -2,-0.3 2,-0.5 -0.907 45.1-152.4 -98.7 126.3 4.0 28.4 16.7 86 92 A I E - E 0 68A 1 -2,-0.5 7,-2.7 -18,-0.2 8,-0.5 -0.946 7.0-158.3-111.3 133.6 7.0 28.7 14.3 87 93 A Y E -GE 92 67A 18 -20,-2.8 -20,-1.9 -2,-0.5 2,-0.6 -0.913 7.6-162.5-113.1 134.3 6.9 30.9 11.2 88 94 A A E > S-GE 91 66A 3 3,-2.9 3,-2.1 -2,-0.4 -22,-0.2 -0.966 85.9 -23.9-115.4 107.9 9.1 30.6 8.1 89 95 A D T 3 S- 0 0 47 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.891 130.2 -47.7 53.3 45.1 8.9 33.9 6.2 90 96 A G T 3 S+ 0 0 48 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.378 115.3 117.6 81.6 -5.8 5.6 34.6 7.8 91 97 A K E < -G 88 0A 124 -3,-2.1 -3,-2.9 4,-0.0 2,-0.6 -0.853 66.6-126.3 -99.4 125.9 4.2 31.2 7.1 92 98 A M E > -G 87 0A 19 -2,-0.5 4,-2.6 -5,-0.2 -5,-0.3 -0.561 12.9-159.1 -71.3 115.5 3.2 29.1 10.1 93 99 A V H > S+ 0 0 0 -7,-2.7 4,-2.2 -2,-0.6 5,-0.2 0.881 90.8 59.6 -59.8 -40.3 4.9 25.7 9.8 94 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.912 111.8 39.1 -53.6 -49.2 2.3 24.2 12.2 95 101 A E H > S+ 0 0 44 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.927 110.6 58.7 -68.0 -48.5 -0.6 25.1 9.8 96 102 A A H X S+ 0 0 16 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.883 108.7 45.9 -48.1 -46.4 1.4 24.3 6.6 97 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.6 0.888 113.4 48.0 -66.4 -43.4 1.8 20.7 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 5,-0.2 0.938 108.7 54.6 -64.8 -43.1 -1.8 20.2 8.9 99 105 A R H 3<5S+ 0 0 69 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.7 48.9 -60.8 -32.1 -3.0 21.7 5.6 100 106 A Q T 3<5S- 0 0 79 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.398 116.0-112.7 -87.0 -1.8 -1.0 19.1 3.6 101 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.6 -4,-0.3 -3,-0.2 0.836 86.0 119.1 73.1 29.3 -2.2 16.2 5.7 102 108 A L S - 0 0 153 -2,-1.2 3,-1.9 3,-0.5 -36,-0.1 -0.945 32.6 -97.5-112.5 116.7 -3.7 21.7 26.3 110 116 A K T 3 S+ 0 0 167 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.408 102.5 22.5 -69.6 148.8 -5.4 24.9 27.6 111 117 A P T 3 S+ 0 0 60 0, 0.0 2,-1.7 0, 0.0 -39,-0.5 -0.901 112.2 73.6 -90.9 19.6 -4.6 27.7 27.7 112 118 A N S < S+ 0 0 7 -3,-1.9 -3,-0.5 1,-0.2 -80,-0.2 -0.420 74.9 92.8 -85.8 62.3 -2.0 27.0 24.9 113 119 A N > + 0 0 25 -2,-1.7 3,-2.1 -5,-0.1 4,-0.3 0.177 32.4 129.9-142.5 25.9 -4.7 26.8 22.3 114 120 A T T 3 S+ 0 0 57 -3,-0.4 3,-0.3 1,-0.3 4,-0.2 0.830 84.7 36.8 -50.9 -40.7 -5.0 30.2 20.8 115 121 A H T 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.181 83.4 112.2-101.1 18.0 -4.7 28.9 17.2 116 122 A E H <> S+ 0 0 33 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.891 77.6 46.5 -56.9 -47.5 -6.7 25.7 17.7 117 123 A Q H > S+ 0 0 132 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.910 111.7 51.5 -65.2 -40.0 -9.7 26.7 15.5 118 124 A H H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.947 113.2 45.0 -60.1 -49.3 -7.5 27.9 12.7 119 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.870 111.3 53.7 -63.8 -36.4 -5.5 24.7 12.6 120 126 A R H X S+ 0 0 87 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.895 104.9 53.7 -67.8 -34.9 -8.7 22.6 12.9 121 127 A K H X S+ 0 0 140 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.914 110.6 47.3 -66.7 -36.2 -10.2 24.4 9.9 122 128 A S H X S+ 0 0 8 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.841 109.8 52.9 -72.4 -33.6 -7.0 23.5 7.9 123 129 A E H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 107.6 51.3 -67.5 -40.0 -7.1 19.9 9.1 124 130 A A H X S+ 0 0 32 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.875 110.0 49.8 -63.6 -39.3 -10.8 19.5 8.0 125 131 A Q H X S+ 0 0 66 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.907 110.6 49.1 -66.3 -42.9 -9.9 20.8 4.5 126 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.874 112.7 49.9 -62.9 -38.7 -6.9 18.4 4.2 127 133 A K H ><5S+ 0 0 77 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.951 109.5 48.2 -65.3 -51.3 -9.3 15.6 5.3 128 134 A K H 3<5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 113.1 49.5 -63.3 -21.9 -12.0 16.5 2.8 129 135 A E T 3<5S- 0 0 85 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.391 110.0-131.4 -93.1 0.5 -9.3 16.6 0.2 130 136 A K T < 5 - 0 0 132 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.857 39.4-177.9 52.0 45.8 -8.1 13.2 1.5 131 137 A L > < - 0 0 47 -5,-2.8 3,-3.1 3,-0.2 -1,-0.2 -0.600 43.9 -61.9 -83.9 132.3 -4.5 14.3 1.7 132 138 A N G > S+ 0 0 49 -2,-0.3 3,-2.5 1,-0.3 -30,-0.2 -0.083 135.3 31.9 40.1-102.1 -1.7 12.0 2.8 133 139 A I G 3 S+ 0 0 42 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.778 128.3 45.8 -51.2 -28.7 -2.5 11.0 6.4 134 140 A W G < 0 0 75 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.341 360.0 360.0 -98.8 5.0 -6.2 11.3 5.3 135 141 A S < 0 0 106 -3,-2.5 -2,-0.2 -34,-0.2 -1,-0.2 0.887 360.0 360.0 -81.5 360.0 -6.0 9.4 2.0