==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-96 1SNP . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.TRUCKSES,J.R.SOMOZA,J.L.MARKLEY . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 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 26.2 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 . 4 3.1 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 . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.5 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 . 2 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 6 A K 0 0 247 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 23.1 -15.6 -24.2 2 7 A L - 0 0 35 63,-0.1 2,-0.4 1,-0.0 65,-0.1 -0.530 360.0-148.9 -79.7 152.1 25.7 -13.0 -23.0 3 8 A H - 0 0 135 63,-0.3 63,-0.5 -2,-0.2 2,-0.4 -0.950 6.5-134.1-125.8 138.9 29.1 -14.3 -21.8 4 9 A K E -A 65 0A 74 -2,-0.4 61,-0.2 61,-0.2 78,-0.1 -0.744 21.9-167.6 -90.9 140.0 31.5 -12.9 -19.1 5 10 A E E -A 64 0A 37 59,-2.8 59,-3.1 -2,-0.4 2,-0.0 -0.976 23.5-111.2-127.8 139.6 35.2 -12.7 -20.0 6 11 A P E +A 63 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.364 37.1 173.4 -69.9 151.7 38.0 -12.1 -17.6 7 12 A A E -A 62 0A 11 55,-1.6 55,-0.7 15,-0.1 2,-0.4 -0.884 25.1-130.5-145.2 167.8 39.9 -8.8 -17.8 8 13 A T E -B 21 0A 95 13,-1.4 13,-2.5 -2,-0.3 2,-0.1 -0.997 28.3-113.1-128.7 130.2 42.6 -7.3 -15.6 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.432 38.9 165.6 -63.9 136.1 42.4 -3.8 -14.3 10 15 A I E - 0 0 63 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.643 67.2 -19.4-111.7 -61.3 45.0 -1.4 -15.7 11 16 A K E -B 19 0A 119 8,-1.7 8,-3.3 0, 0.0 2,-0.6 -0.990 51.2-135.8-155.4 135.7 43.6 2.0 -14.8 12 17 A A E -B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.842 22.4-176.8 -91.7 122.9 40.3 3.4 -13.7 13 18 A I - 0 0 74 4,-1.5 -1,-0.2 -2,-0.6 2,-0.2 0.938 53.9 -43.2 -83.3 -75.5 39.8 6.7 -15.6 14 19 A D S S- 0 0 22 3,-1.5 3,-0.3 38,-0.0 -1,-0.2 -0.536 79.8 -55.6-136.9-155.0 36.5 8.1 -14.3 15 20 A G S S+ 0 0 0 22,-0.3 78,-0.1 1,-0.2 23,-0.1 0.886 130.9 21.2 -59.2 -42.5 33.0 7.1 -13.4 16 21 A D S S+ 0 0 7 1,-0.1 15,-2.9 20,-0.1 2,-0.4 0.338 114.0 71.9-112.5 11.4 32.0 5.5 -16.7 17 22 A T E + C 0 30A 11 -3,-0.3 -4,-1.5 13,-0.2 -3,-1.5 -0.990 51.7 173.9-134.6 126.7 35.4 4.7 -18.3 18 23 A V E -BC 12 29A 1 11,-2.0 11,-3.4 -2,-0.4 2,-0.6 -0.965 25.3-135.5-132.3 144.0 37.9 2.0 -17.2 19 24 A K E +BC 11 28A 54 -8,-3.3 -9,-2.4 -2,-0.3 -8,-1.7 -0.892 34.4 172.9-103.3 121.0 41.1 0.8 -18.8 20 25 A L E -BC 9 27A 0 7,-3.1 7,-2.5 -2,-0.6 2,-0.8 -0.886 39.6-122.3-131.7 155.7 41.5 -3.0 -18.9 21 26 A M E +BC 8 26A 69 -13,-2.5 -13,-1.4 -2,-0.3 2,-0.5 -0.886 40.9 177.9 -94.4 113.7 43.8 -5.7 -20.4 22 27 A Y E > - C 0 25A 34 3,-2.8 3,-0.6 -2,-0.8 -15,-0.1 -0.989 63.7 -14.4-126.2 119.0 41.3 -7.7 -22.5 23 28 A K T 3 S- 0 0 173 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.880 130.4 -48.9 57.0 43.1 42.6 -10.7 -24.5 24 29 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.704 123.4 85.0 73.9 23.1 46.3 -9.7 -24.1 25 30 A Q E < S-C 22 0A 134 -3,-0.6 -3,-2.8 -5,-0.0 2,-0.1 -0.986 79.1-109.0-155.6 137.4 45.9 -6.0 -25.1 26 31 A P E +C 21 0A 61 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.467 41.6 171.2 -68.0 144.5 44.9 -2.8 -23.3 27 32 A M E -C 20 0A 43 -7,-2.5 -7,-3.1 -2,-0.1 2,-0.5 -0.991 30.7-126.2-155.6 144.1 41.5 -1.3 -24.1 28 33 A T E -C 19 0A 48 48,-0.3 50,-2.7 -2,-0.3 2,-0.4 -0.824 26.6-158.2 -95.5 131.6 39.3 1.5 -22.7 29 34 A F E -Cd 18 78A 0 -11,-3.4 -11,-2.0 -2,-0.5 2,-0.5 -0.888 10.1-153.8-114.9 141.0 35.8 0.5 -21.8 30 35 A R E -Cd 17 79A 38 48,-3.3 50,-1.4 -2,-0.4 2,-0.3 -0.958 32.6-115.9-109.1 125.9 32.8 2.7 -21.5 31 36 A L E > - d 0 80A 1 -15,-2.9 3,-0.9 -2,-0.5 50,-0.2 -0.535 34.2-115.4 -65.9 127.1 30.2 1.3 -19.1 32 37 A L T 3 S+ 0 0 7 48,-2.5 50,-0.1 -2,-0.3 -1,-0.1 -0.341 83.8 1.5 -67.3 145.2 27.0 0.4 -20.9 33 38 A L T 3 S+ 0 0 10 70,-0.2 69,-1.8 1,-0.1 2,-0.4 0.538 102.0 104.9 56.9 20.1 23.7 2.3 -20.1 34 39 A V E < -H 101 0B 0 -3,-0.9 2,-0.5 67,-0.3 67,-0.2 -0.967 48.2-163.2-130.8 146.8 25.0 4.7 -17.5 35 40 A D E -H 100 0B 69 65,-2.1 65,-1.6 -2,-0.4 -3,-0.0 -0.937 17.9-172.1-125.8 100.6 25.7 8.4 -17.5 36 41 A T - 0 0 10 -2,-0.5 2,-0.2 63,-0.2 63,-0.2 -0.531 35.5 -92.8 -90.6 159.9 27.9 9.5 -14.6 37 42 A P - 0 0 13 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.564 45.8-115.6 -72.4 136.5 28.7 13.1 -13.7 38 43 A E 0 0 95 -2,-0.2 4,-3.1 1,-0.1 7,-0.3 -0.528 360.0 360.0 -74.4 136.1 32.0 14.2 -15.4 39 44 A T 0 0 67 6,-0.3 -1,-0.1 2,-0.3 4,-0.1 -0.650 360.0 360.0 -76.7 360.0 34.8 15.1 -13.0 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 51 A V 0 0 139 0, 0.0 -2,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 110.1 34.2 18.7 -12.2 42 52 A E > - 0 0 107 -4,-3.1 3,-2.2 1,-0.1 2,-0.1 -0.557 360.0 -77.4 -92.0 161.3 30.4 18.3 -12.1 43 53 A K T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.2 -5,-0.0 -0.422 123.2 7.0 -58.5 127.2 28.4 17.8 -8.9 44 54 A Y T 3> S+ 0 0 40 -2,-0.1 4,-2.2 -3,-0.1 -1,-0.3 0.346 95.8 116.2 77.0 -4.0 28.9 14.2 -7.9 45 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.4 -7,-0.3 -6,-0.3 0.949 77.9 46.6 -59.7 -49.8 31.6 13.6 -10.6 46 56 A P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.810 112.6 51.6 -61.0 -33.0 34.3 13.0 -8.0 47 57 A E H > S+ 0 0 81 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.848 110.0 46.9 -73.0 -38.3 32.0 10.7 -6.1 48 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.912 113.5 49.8 -70.5 -40.5 31.2 8.6 -9.1 49 59 A S H X S+ 0 0 21 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.953 112.7 46.4 -60.6 -50.2 34.8 8.3 -10.1 50 60 A A H X S+ 0 0 54 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.890 111.6 51.4 -60.0 -43.0 35.9 7.3 -6.6 51 61 A F H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.922 112.8 44.5 -61.9 -48.5 33.1 4.7 -6.3 52 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.945 115.4 48.7 -62.1 -46.0 34.0 3.1 -9.7 53 63 A K H X S+ 0 0 103 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.931 112.4 47.0 -57.9 -51.4 37.8 3.2 -8.9 54 64 A K H X S+ 0 0 89 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.934 111.1 53.0 -58.7 -45.2 37.3 1.7 -5.4 55 65 A M H < S+ 0 0 30 -4,-2.3 4,-0.2 -5,-0.2 -1,-0.2 0.900 115.7 38.0 -61.0 -42.3 35.0 -1.0 -6.8 56 66 A V H < S+ 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 3,-0.2 0.760 114.0 53.3 -84.7 -23.9 37.5 -2.2 -9.5 57 67 A E H < S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.904 110.3 46.2 -76.8 -37.5 40.7 -1.8 -7.5 58 68 A N S < S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.477 91.5 110.2 -82.2 -3.0 39.5 -3.9 -4.6 59 69 A A - 0 0 20 -4,-0.2 3,-0.1 -3,-0.2 -3,-0.0 -0.439 54.5-160.1 -76.8 143.9 38.2 -6.7 -6.8 60 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.733 85.3 30.9 -87.7 -32.9 39.8 -10.1 -7.1 61 71 A K - 0 0 139 -53,-0.0 24,-3.0 -55,-0.0 2,-0.4 -0.992 64.8-168.5-132.7 129.8 38.1 -10.7 -10.4 62 72 A I E -AE 7 84A 12 -55,-0.7 -55,-1.6 -2,-0.4 2,-0.4 -0.912 12.7-176.1-112.0 138.3 37.1 -8.3 -13.1 63 73 A E E -AE 6 83A 53 20,-2.3 20,-2.9 -2,-0.4 2,-0.4 -0.978 12.3-152.4-135.1 145.8 34.9 -9.6 -15.9 64 74 A V E -AE 5 82A 0 -59,-3.1 -59,-2.8 -2,-0.4 2,-0.4 -0.935 7.1-168.2-116.8 145.6 33.6 -7.9 -19.0 65 75 A E E -AE 4 81A 7 16,-1.7 16,-2.4 -2,-0.4 -61,-0.2 -0.943 9.8-151.0-138.3 110.6 30.3 -8.8 -20.8 66 76 A F E - E 0 80A 20 -63,-0.5 -63,-0.3 -2,-0.4 14,-0.2 -0.487 16.2-133.2 -78.1 151.5 29.5 -7.4 -24.2 67 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.333 29.9 -95.4 -91.9-173.4 25.9 -6.9 -25.1 68 78 A K S S+ 0 0 123 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.615 100.7 64.3 -81.6 -14.8 24.3 -8.0 -28.4 69 79 A G S S- 0 0 18 1,-0.2 38,-0.2 38,-0.1 2,-0.1 0.161 107.2 -26.6 -88.6-151.3 24.6 -4.7 -30.2 70 80 A Q - 0 0 96 36,-1.1 -1,-0.2 35,-0.2 -3,-0.2 -0.402 52.1-153.2 -63.3 130.8 27.7 -2.8 -31.4 71 81 A R S S+ 0 0 128 -2,-0.1 8,-2.1 -3,-0.1 2,-0.3 0.467 71.1 35.9 -87.5 -6.5 30.8 -3.5 -29.2 72 82 A T B S-F 78 0A 70 6,-0.3 6,-0.2 -43,-0.1 2,-0.1 -0.987 70.9-133.3-144.8 153.1 32.7 -0.3 -29.6 73 83 A D > - 0 0 20 4,-1.9 3,-2.3 -2,-0.3 -2,-0.0 -0.423 43.2 -86.3 -96.8-178.5 31.9 3.4 -29.9 74 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.772 128.0 55.2 -59.9 -24.1 33.3 6.0 -32.4 75 85 A Y T 3 S- 0 0 180 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.338 120.8-106.7 -90.7 5.3 36.2 6.7 -30.1 76 86 A G S < S+ 0 0 50 -3,-2.3 2,-0.4 1,-0.3 -48,-0.3 0.655 70.5 145.3 80.3 15.1 37.2 3.0 -30.1 77 87 A R - 0 0 71 -50,-0.1 -4,-1.9 -48,-0.1 -1,-0.3 -0.715 52.1-118.1 -88.5 134.2 36.0 2.3 -26.5 78 88 A G E -dF 29 72A 0 -50,-2.7 -48,-3.3 -2,-0.4 2,-0.6 -0.401 21.7-141.2 -66.0 147.8 34.6 -1.1 -25.8 79 89 A L E +d 30 0A 10 -8,-2.1 -12,-0.6 -50,-0.2 2,-0.3 -0.948 44.5 129.8-115.4 108.6 30.9 -1.0 -24.7 80 90 A A E -dE 31 66A 0 -50,-1.4 -48,-2.5 -2,-0.6 2,-0.5 -0.914 60.9-102.6-151.0 174.2 30.3 -3.5 -21.9 81 91 A Y E - E 0 65A 0 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.5 -0.887 41.7-147.6 -99.1 128.6 28.8 -4.4 -18.5 82 92 A I E - E 0 64A 1 -2,-0.5 7,-2.8 -18,-0.2 8,-0.6 -0.907 9.7-160.8-106.1 133.0 31.7 -4.6 -16.0 83 93 A Y E -GE 88 63A 18 -20,-2.9 -20,-2.3 -2,-0.5 2,-0.6 -0.940 7.2-165.1-115.0 134.3 31.6 -7.0 -13.1 84 94 A A E > S-GE 87 62A 6 3,-2.7 3,-2.4 -2,-0.4 -22,-0.2 -0.979 83.6 -24.2-117.1 109.4 33.8 -6.8 -10.0 85 95 A D T 3 S- 0 0 75 -24,-3.0 -1,-0.2 -2,-0.6 -23,-0.1 0.911 128.6 -49.8 51.9 46.6 33.7 -10.0 -8.0 86 96 A G T 3 S+ 0 0 49 -25,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.226 115.2 114.7 82.2 -16.9 30.4 -10.8 -9.6 87 97 A K E < -G 84 0A 156 -3,-2.4 -3,-2.7 1,-0.0 2,-0.4 -0.791 68.5-125.0 -93.5 125.6 28.8 -7.4 -8.8 88 98 A M E > -G 83 0A 17 -2,-0.6 4,-2.5 -5,-0.2 -5,-0.3 -0.527 13.0-158.3 -72.0 119.1 27.9 -5.3 -11.8 89 99 A V H > S+ 0 0 1 -7,-2.8 4,-2.5 -2,-0.4 5,-0.2 0.877 91.3 59.2 -63.1 -38.6 29.5 -1.9 -11.6 90 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.943 112.3 38.5 -55.3 -51.5 27.0 -0.4 -14.0 91 101 A E H > S+ 0 0 46 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.906 112.4 58.0 -67.5 -42.2 24.1 -1.4 -11.7 92 102 A A H X S+ 0 0 17 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.884 106.8 47.9 -55.8 -44.2 26.0 -0.5 -8.5 93 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.4 0.908 114.9 45.5 -63.2 -45.7 26.6 3.1 -9.7 94 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 5,-0.3 0.932 110.6 52.7 -64.1 -46.3 22.9 3.5 -10.6 95 105 A R H 3<5S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.5 52.0 -60.4 -32.0 21.6 1.9 -7.4 96 106 A Q T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.375 116.3-112.7 -86.4 1.7 23.8 4.3 -5.4 97 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 2,-0.2 -3,-0.2 0.778 85.5 118.5 72.0 24.5 22.4 7.4 -7.2 98 108 A L S -I 108 0C 89 3,-0.6 3,-1.6 1,-0.1 -35,-0.2 -0.972 61.6 -31.6-124.7 119.9 22.8 2.5 -27.9 106 116 A K T 3 S- 0 0 102 -2,-0.5 -36,-1.1 1,-0.3 -1,-0.1 0.767 122.5 -44.2 45.8 41.2 22.7 0.4 -31.1 107 117 A G T 3 S+ 0 0 30 -38,-0.2 2,-1.2 1,-0.2 -39,-0.3 0.599 98.2 132.2 85.6 10.7 20.8 -2.5 -29.7 108 118 A N B < +I 105 0C 0 -3,-1.6 -3,-0.6 -40,-0.2 -1,-0.2 -0.750 27.5 117.3 -97.0 86.4 22.7 -2.9 -26.4 109 119 A N > + 0 0 57 -2,-1.2 3,-2.1 -5,-0.1 4,-0.4 0.363 20.7 118.9-136.2 9.1 19.7 -3.1 -24.0 110 120 A T T 3 S+ 0 0 63 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.856 90.6 31.9 -45.1 -48.3 19.9 -6.5 -22.3 111 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.229 86.2 107.7 -99.4 17.0 20.2 -5.0 -18.8 112 122 A E H <> S+ 0 0 49 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 80.4 48.4 -60.2 -43.0 18.1 -1.8 -19.4 113 123 A Q H > S+ 0 0 115 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.931 110.0 51.5 -63.9 -46.1 15.2 -3.0 -17.3 114 124 A L H > S+ 0 0 81 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.944 113.3 44.9 -54.7 -49.3 17.4 -4.1 -14.4 115 125 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.810 108.8 56.6 -67.5 -32.0 19.1 -0.7 -14.3 116 126 A R H X S+ 0 0 81 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.893 106.6 50.6 -66.2 -38.3 15.8 1.2 -14.7 117 127 A K H X S+ 0 0 133 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.954 111.3 47.1 -63.5 -50.8 14.5 -0.6 -11.5 118 128 A S H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.859 110.4 52.6 -59.3 -39.3 17.5 0.3 -9.5 119 129 A E H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.849 107.2 52.5 -64.8 -38.0 17.4 3.9 -10.7 120 130 A A H X S+ 0 0 54 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.953 111.8 46.2 -63.0 -47.9 13.8 4.2 -9.6 121 131 A Q H X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.933 111.9 49.5 -62.0 -46.4 14.7 2.9 -6.1 122 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.841 113.2 48.5 -61.5 -34.1 17.7 5.3 -5.8 123 133 A K H ><5S+ 0 0 88 -4,-1.9 3,-1.5 3,-0.2 -1,-0.2 0.880 108.4 53.6 -71.7 -39.9 15.4 8.1 -6.9 124 134 A K H 3<5S+ 0 0 150 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.797 110.1 47.9 -64.3 -30.3 12.8 7.0 -4.3 125 135 A E T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.270 108.6-127.6 -93.4 9.8 15.6 7.1 -1.7 126 136 A K T < 5 - 0 0 149 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.849 44.4-178.0 45.7 41.8 16.6 10.6 -2.9 127 137 A L > < - 0 0 41 -5,-2.7 3,-3.3 -6,-0.1 -1,-0.2 -0.557 43.0 -60.7 -78.8 132.4 20.2 9.3 -3.1 128 138 A N G > S+ 0 0 44 1,-0.3 3,-2.5 -2,-0.3 -30,-0.2 -0.032 135.8 30.4 38.9-101.5 23.1 11.5 -4.2 129 139 A I G 3 S+ 0 0 47 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.785 126.2 50.9 -53.9 -28.4 22.3 12.8 -7.7 130 140 A W G < 0 0 54 -3,-3.3 -1,-0.3 -33,-0.2 -2,-0.2 0.124 360.0 360.0 -96.4 13.6 18.6 12.5 -6.6 131 141 A S < 0 0 94 -3,-2.5 -4,-0.1 -4,-0.2 -5,-0.0 -0.860 360.0 360.0 -90.6 360.0 18.9 14.4 -3.4