==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-01 1II3 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 23.5 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 . 9 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 19.9 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 6 A K 0 0 256 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.9 9.0 49.8 -9.1 2 7 A L - 0 0 47 68,-0.1 2,-0.4 1,-0.0 70,-0.1 -0.145 360.0-161.1 -54.5 153.0 11.6 47.4 -7.6 3 8 A H - 0 0 91 68,-0.4 68,-0.6 69,-0.1 2,-0.3 -0.997 13.4-126.4-144.7 145.3 10.2 44.2 -6.2 4 9 A K E -A 70 0A 87 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.638 23.1-173.1 -84.9 139.0 11.4 41.6 -3.7 5 10 A E E -A 69 0A 41 64,-2.6 64,-3.4 -2,-0.3 2,-0.1 -0.964 28.8-102.4-127.5 154.5 11.4 37.9 -4.6 6 11 A P E +A 68 0A 86 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.295 39.0 173.4 -74.5 152.3 12.2 34.9 -2.3 7 12 A A E -A 67 0A 10 60,-1.9 60,-0.6 15,-0.1 2,-0.4 -0.942 23.1-132.7-149.3 167.8 15.5 33.1 -2.4 8 13 A T E -B 21 0A 93 13,-1.9 13,-2.8 -2,-0.3 2,-0.1 -0.988 26.9-113.1-128.9 131.5 17.1 30.3 -0.3 9 14 A L E +B 20 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.392 35.8 166.8 -64.9 136.2 20.7 30.4 1.0 10 15 A I E - 0 0 68 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.693 68.0 -35.3-105.1 -59.5 23.1 27.9 -0.4 11 16 A K E -B 19 0A 123 8,-1.8 8,-3.0 0, 0.0 2,-0.5 -0.930 47.0-125.8-161.4 139.2 26.4 29.3 0.8 12 17 A A E -B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.761 21.0-170.9 -80.4 127.1 28.0 32.7 1.5 13 18 A I - 0 0 48 4,-2.3 2,-0.2 -2,-0.5 5,-0.2 0.901 64.5 -37.0 -87.4 -45.5 31.3 32.8 -0.4 14 19 A D S S- 0 0 6 3,-1.9 3,-0.5 39,-0.1 -1,-0.3 -0.824 85.9 -56.3-154.7-163.4 32.5 36.0 1.2 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.2 83,-0.1 0.809 131.3 16.8 -54.5 -37.2 31.1 39.4 2.4 16 21 A D S S+ 0 0 1 21,-0.1 15,-2.9 1,-0.1 2,-0.5 0.391 112.2 73.3-126.6 13.2 29.6 40.4 -0.9 17 22 A T E + C 0 30A 14 -3,-0.5 -4,-2.3 13,-0.2 -3,-1.9 -0.984 56.8 173.4-130.9 120.1 29.2 37.3 -3.0 18 23 A I E -BC 12 29A 0 11,-2.6 11,-3.0 -2,-0.5 2,-0.5 -0.985 28.5-136.4-133.8 131.0 26.6 34.7 -2.1 19 24 A K E +BC 11 28A 57 -8,-3.0 -9,-2.3 -2,-0.4 -8,-1.8 -0.768 35.8 172.9 -84.3 125.7 25.3 31.5 -3.7 20 25 A L E -BC 9 27A 0 7,-2.8 7,-2.7 -2,-0.5 2,-0.6 -0.931 39.0-120.8-130.0 154.7 21.5 31.3 -3.6 21 26 A M E +BC 8 26A 68 -13,-2.8 -13,-1.9 -2,-0.3 2,-0.4 -0.862 42.0 173.4 -86.5 117.4 18.7 29.1 -4.9 22 27 A Y E > - C 0 25A 30 3,-3.0 3,-1.6 -2,-0.6 -15,-0.1 -0.993 64.4 -10.6-130.4 126.4 16.6 31.5 -6.9 23 28 A K T 3 S- 0 0 103 -17,-0.4 -1,-0.1 -2,-0.4 -16,-0.1 0.874 132.7 -50.8 53.0 36.7 13.6 30.4 -9.1 24 29 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.562 120.9 92.5 83.9 6.1 14.7 26.8 -8.5 25 30 A Q E < S-C 22 0A 132 -3,-1.6 -3,-3.0 2,-0.0 2,-0.3 -0.993 75.6-113.5-136.2 143.5 18.3 27.1 -9.5 26 31 A P E +C 21 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.544 43.7 169.1 -68.7 132.3 21.6 27.8 -7.8 27 32 A M E -C 20 0A 51 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.5 -0.976 34.6-122.3-141.6 144.9 23.0 31.1 -8.9 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.842 29.6-158.9 -88.7 132.8 25.9 33.2 -7.6 29 34 A F E -Cd 18 83A 4 -11,-3.0 -11,-2.6 -2,-0.5 2,-0.4 -0.892 8.6-157.2-114.0 144.4 24.8 36.8 -6.5 30 35 A R E -Cd 17 84A 46 53,-3.1 55,-1.6 -2,-0.4 2,-0.2 -0.976 30.5-114.5-116.0 125.5 27.1 39.8 -6.2 31 36 A L E > - d 0 85A 4 -15,-2.9 3,-0.8 -2,-0.4 55,-0.2 -0.480 31.5-120.0 -68.5 131.6 25.7 42.5 -3.9 32 37 A L T 3 S+ 0 0 11 53,-2.5 55,-0.1 -2,-0.2 -1,-0.1 -0.409 82.5 1.9 -66.6 141.1 24.9 45.8 -5.7 33 38 A L T 3 S+ 0 0 10 75,-0.2 74,-3.0 80,-0.1 2,-0.4 0.355 109.0 88.0 77.0 2.2 26.6 49.1 -4.8 34 39 A V E < -H 106 0B 0 -3,-0.8 2,-0.5 72,-0.3 72,-0.2 -0.957 53.3-157.8-134.2 151.6 29.0 47.8 -2.1 35 40 A D E -H 105 0B 58 70,-2.9 70,-2.5 -2,-0.4 3,-0.1 -0.970 9.9-164.9-125.5 119.4 32.4 46.3 -1.9 36 41 A T - 0 0 1 -2,-0.5 68,-0.2 68,-0.2 14,-0.1 -0.644 38.9 -89.1 -91.4 156.3 33.5 44.2 1.0 37 42 A P - 0 0 10 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.294 51.1-103.4 -65.6 149.5 37.2 43.5 1.6 38 43 A E + 0 0 52 1,-0.1 9,-3.7 -24,-0.1 12,-0.3 -0.467 35.1 174.5 -82.6 144.9 38.6 40.4 -0.1 39 44 A T S S+ 0 0 37 7,-0.3 -1,-0.1 11,-0.2 -25,-0.0 0.500 89.9 38.6-109.2 -17.0 39.3 37.1 1.5 40 45 A K S S+ 0 0 143 10,-0.0 6,-0.1 6,-0.0 -2,-0.1 0.644 79.2 153.1-106.8 -24.2 40.2 35.3 -1.7 41 46 A H - 0 0 63 4,-0.3 0, 0.0 1,-0.1 0, 0.0 0.385 44.7-135.4 -25.1 125.7 42.1 38.0 -3.6 42 47 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.948 100.5 31.4 -50.3 -59.4 44.6 36.8 -6.2 43 48 A K S S+ 0 0 189 1,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.997 129.8 28.4 -68.8 -72.7 47.4 39.2 -5.2 44 49 A K S S- 0 0 108 1,-0.2 3,-0.2 0, 0.0 -1,-0.1 -0.621 75.3-144.7 -84.7 149.1 46.8 39.7 -1.5 45 50 A G S S+ 0 0 43 1,-0.3 2,-0.5 -2,-0.2 -4,-0.3 0.901 77.5 6.0 -71.4 -92.1 45.1 36.8 0.4 46 51 A V S S- 0 0 79 -6,-0.1 -1,-0.3 4,-0.0 -7,-0.3 -0.824 71.2-148.0 -97.2 124.7 42.9 38.3 3.1 47 52 A E > - 0 0 65 -9,-3.7 3,-2.2 -2,-0.5 2,-0.1 -0.578 42.2 -80.5 -81.6 156.5 42.4 42.1 3.2 48 53 A K T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.393 120.9 14.9 -58.1 131.0 41.8 43.7 6.6 49 54 A Y T 3> S+ 0 0 65 -2,-0.1 4,-2.6 -12,-0.1 -1,-0.3 0.323 94.4 116.1 78.3 0.9 38.2 43.3 7.6 50 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.4 -12,-0.3 -35,-0.2 0.967 78.2 41.0 -55.9 -59.7 37.7 40.6 5.0 51 56 A P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.871 114.9 54.0 -60.3 -36.7 37.0 37.8 7.4 52 57 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 110.2 44.9 -63.3 -47.7 34.9 40.1 9.5 53 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.919 111.9 53.6 -61.2 -42.8 32.7 41.1 6.6 54 59 A S H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.4 43.9 -62.6 -43.3 32.4 37.5 5.5 55 60 A A H X S+ 0 0 34 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.844 110.1 56.9 -74.1 -28.8 31.2 36.3 8.9 56 61 A F H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.970 112.1 41.9 -60.8 -52.7 28.8 39.2 9.2 57 62 A T H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.942 114.9 50.6 -58.0 -43.9 27.2 38.2 5.9 58 63 A K H X S+ 0 0 90 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.961 113.5 45.0 -62.4 -45.9 27.2 34.5 6.8 59 64 A K H X S+ 0 0 121 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.901 112.3 50.4 -67.0 -40.2 25.6 35.1 10.2 60 65 A M H < S+ 0 0 35 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.916 117.1 39.8 -67.2 -35.3 23.0 37.5 9.0 61 66 A L H >< S+ 0 0 6 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.906 113.3 52.0 -80.7 -37.3 21.9 35.2 6.3 62 67 A E H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.796 112.6 46.1 -69.0 -28.5 22.1 31.9 8.1 63 68 A N T 3< S+ 0 0 133 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.328 89.9 113.3 -98.6 5.8 20.0 33.2 11.0 64 69 A A < - 0 0 25 -3,-1.0 3,-0.1 -4,-0.1 -3,-0.0 -0.479 56.5-153.5 -76.2 147.3 17.3 34.8 8.8 65 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.873 85.4 17.8 -78.7 -39.0 13.8 33.5 8.7 66 71 A K - 0 0 154 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -1.000 65.4-161.5-135.5 134.8 13.2 34.8 5.2 67 72 A L E -AE 7 89A 15 -60,-0.6 -60,-1.9 -2,-0.4 2,-0.3 -0.952 12.5-176.5-114.9 140.8 15.7 35.9 2.4 68 73 A E E -AE 6 88A 55 20,-2.3 20,-3.0 -2,-0.4 2,-0.4 -0.974 14.9-147.3-134.6 147.4 14.6 38.0 -0.5 69 74 A V E -AE 5 87A 1 -64,-3.4 -64,-2.6 -2,-0.3 2,-0.4 -0.897 9.4-165.0-112.5 144.1 16.4 39.3 -3.6 70 75 A E E -AE 4 86A 8 16,-2.4 16,-2.8 -2,-0.4 2,-0.2 -0.967 7.4-153.5-130.2 112.8 15.7 42.7 -5.2 71 76 A F E - E 0 85A 12 -68,-0.6 -68,-0.4 -2,-0.4 14,-0.2 -0.530 15.5-132.1 -77.6 152.9 16.9 43.4 -8.7 72 77 A D - 0 0 7 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.190 33.7 -91.0 -92.8-166.2 17.5 47.0 -9.7 73 78 A K S S+ 0 0 132 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.490 102.4 53.4 -91.3 -3.8 16.2 48.6 -13.0 74 79 A G S S- 0 0 22 1,-0.3 37,-0.1 36,-0.1 -2,-0.0 0.070 107.6 -12.5-103.3-146.0 19.3 47.9 -15.2 75 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -2,-0.0 -3,-0.2 -0.325 50.7-159.4 -53.6 135.6 21.3 44.7 -16.1 76 81 A R S S+ 0 0 128 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.507 73.8 40.9 -99.2 -11.7 20.4 41.8 -13.8 77 82 A T B S-F 83 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.944 74.1-135.9-130.9 154.9 23.6 39.8 -14.4 78 83 A D > - 0 0 33 4,-1.8 3,-2.2 -2,-0.3 -2,-0.1 -0.438 43.3 -88.3 -99.0-178.2 27.3 40.8 -14.7 79 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.720 127.5 58.3 -66.7 -15.4 29.7 39.6 -17.3 80 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.363 119.6-107.8 -92.3 2.6 30.6 36.7 -15.0 81 86 A G S < S+ 0 0 47 -3,-2.2 2,-0.3 1,-0.3 -53,-0.3 0.565 72.2 142.4 86.4 6.9 27.0 35.5 -14.8 82 87 A R - 0 0 66 -55,-0.1 -4,-1.8 1,-0.1 -1,-0.3 -0.633 54.6-116.5 -83.2 139.3 26.4 36.7 -11.3 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-3.1 -2,-0.3 2,-0.6 -0.440 23.1-140.5 -66.6 145.2 23.0 38.1 -10.4 84 89 A L E +d 30 0A 29 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.924 44.5 130.8-110.6 112.6 23.2 41.8 -9.3 85 90 A A E -dE 31 71A 3 -55,-1.6 -53,-2.5 -2,-0.6 2,-0.4 -0.967 59.7-105.0-157.4 166.6 20.9 42.5 -6.5 86 91 A Y E - E 0 70A 0 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.4 -0.862 39.8-148.1 -95.3 133.3 20.0 43.9 -3.1 87 92 A L E - E 0 69A 4 -2,-0.4 7,-2.8 -18,-0.2 8,-0.6 -0.911 10.3-163.6-107.9 132.0 19.7 41.1 -0.5 88 93 A Y E -GE 93 68A 19 -20,-3.0 -20,-2.3 -2,-0.4 2,-0.5 -0.965 8.0-165.0-119.5 135.2 17.2 41.3 2.3 89 94 A A E > S-GE 92 67A 2 3,-2.6 3,-2.0 -2,-0.4 -22,-0.2 -0.986 83.7 -23.7-114.0 112.5 17.3 39.1 5.5 90 95 A D T 3 S- 0 0 51 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.888 129.4 -48.7 50.1 44.5 13.9 39.4 7.4 91 96 A G T 3 S+ 0 0 55 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.424 115.6 115.6 80.4 -2.8 13.3 42.8 5.8 92 97 A K E < -G 89 0A 123 -3,-2.0 -3,-2.6 4,-0.0 2,-0.5 -0.914 68.3-124.3-100.8 121.4 16.8 44.2 6.6 93 98 A M E > -G 88 0A 17 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.490 12.7-157.6 -68.1 117.8 19.0 45.0 3.6 94 99 A L H > S+ 0 0 0 -7,-2.8 4,-2.3 -2,-0.5 5,-0.3 0.905 92.4 58.2 -55.9 -43.2 22.3 43.2 3.8 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.924 111.0 41.5 -58.1 -43.7 24.0 45.7 1.5 96 101 A E H > S+ 0 0 42 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.909 110.8 56.7 -67.0 -44.3 23.1 48.5 3.9 97 102 A A H X S+ 0 0 16 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.892 107.2 49.1 -57.1 -40.7 23.9 46.6 7.1 98 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 6,-0.7 0.935 115.1 43.6 -64.0 -45.6 27.5 46.0 5.9 99 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.0 -5,-0.3 -2,-0.2 0.936 109.8 55.6 -65.7 -44.5 28.0 49.6 5.0 100 105 A R H 3<5S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 109.1 49.8 -59.1 -29.5 26.4 50.9 8.2 101 106 A Q T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -5,-0.2 33,-0.2 0.318 114.7-113.5 -90.1 5.5 28.9 48.7 10.1 102 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.5 2,-0.2 33,-0.2 0.840 87.2 116.8 66.4 26.9 32.0 50.0 8.3 103 108 A L S - 0 0 165 -2,-0.5 3,-2.4 3,-0.5 -36,-0.1 -0.877 34.4-105.3-111.0 99.2 26.7 52.1 -12.7 111 116 A K T 3 S+ 0 0 130 -2,-0.7 0, 0.0 1,-0.4 0, 0.0 -0.343 98.1 22.4 -54.3 141.9 23.6 53.9 -13.7 112 117 A P T 3 S+ 0 0 41 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.924 109.7 73.7 -99.0 23.2 20.9 52.9 -13.8 113 118 A N S < S+ 0 0 7 -3,-2.4 -3,-0.5 1,-0.2 -80,-0.1 -0.515 76.6 93.5 -82.9 68.8 21.6 50.2 -11.3 114 119 A N > + 0 0 28 -2,-1.8 3,-1.5 -5,-0.1 4,-0.3 0.127 32.5 130.8-151.5 24.7 21.7 52.8 -8.5 115 120 A T T 3 S+ 0 0 55 -3,-0.3 3,-0.4 1,-0.3 4,-0.2 0.885 83.4 35.6 -53.1 -46.9 18.3 53.0 -7.0 116 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.208 84.0 110.9 -98.8 20.6 19.5 52.7 -3.3 117 122 A E H <> S+ 0 0 44 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.867 74.9 51.2 -60.6 -41.0 22.7 54.7 -3.7 118 123 A Q H > S+ 0 0 137 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.945 110.5 49.3 -63.6 -49.6 21.7 57.7 -1.7 119 124 A H H > S+ 0 0 97 1,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.912 112.6 46.7 -57.3 -47.3 20.6 55.6 1.3 120 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.870 109.5 53.5 -68.2 -33.2 23.8 53.6 1.3 121 126 A R H X S+ 0 0 102 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.894 107.4 52.2 -69.2 -30.4 26.0 56.6 1.1 122 127 A K H X S+ 0 0 118 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.896 111.0 47.0 -67.9 -40.5 24.2 58.1 4.1 123 128 A S H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.868 112.2 50.7 -68.7 -33.3 24.9 54.9 6.0 124 129 A E H X S+ 0 0 22 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.912 107.6 52.4 -67.7 -38.7 28.5 55.0 4.9 125 130 A A H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.902 111.1 48.7 -64.8 -35.2 28.8 58.6 6.0 126 131 A Q H X S+ 0 0 71 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.941 108.9 51.3 -69.5 -44.8 27.5 57.6 9.4 127 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.4 0.885 112.2 47.8 -60.6 -32.2 29.9 54.6 9.7 128 133 A K H ><5S+ 0 0 87 -4,-2.0 3,-1.8 2,-0.2 -2,-0.2 0.974 108.9 52.3 -71.4 -47.4 32.8 56.9 8.9 129 134 A K H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 113.4 45.8 -51.7 -34.5 31.7 59.5 11.4 130 135 A E T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.478 108.7-132.1 -90.2 -6.4 31.6 56.8 14.0 131 136 A K T < 5 + 0 0 133 -3,-1.8 2,-0.4 -4,-0.4 -3,-0.2 0.880 39.8 178.0 54.6 48.7 34.9 55.5 12.8 132 137 A L > < - 0 0 47 -5,-2.3 3,-2.9 3,-0.1 -1,-0.2 -0.667 45.7 -55.3 -87.1 134.3 33.8 51.9 12.6 133 138 A N G > S+ 0 0 49 -2,-0.4 3,-3.2 1,-0.3 -30,-0.2 -0.100 136.2 27.0 48.4-109.6 36.0 49.0 11.4 134 139 A I G 3 S+ 0 0 44 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.800 127.5 50.8 -53.7 -28.7 37.3 49.9 7.9 135 140 A W G < 0 0 68 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.3 0.354 360.0 360.0 -88.7 2.7 36.9 53.5 9.0 136 141 A S < 0 0 105 -3,-3.2 -2,-0.2 -4,-0.2 -1,-0.1 0.970 360.0 360.0 -82.4 360.0 38.8 52.9 12.2