==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-SEP-12 4H7B . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.M SANDERS,K.JANOWSKA,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 65.4 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 . 33 24.3 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 . 3 2.2 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 . 8 5.9 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 . 28 20.6 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 1 1 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 2,-0.0 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 121.4 38.5 -2.2 -10.0 2 7 A L - 0 0 50 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.348 360.0-170.5 -73.9 145.1 36.4 0.4 -8.2 3 8 A H - 0 0 114 68,-0.2 68,-0.5 69,-0.1 2,-0.3 -0.988 19.8-122.4-132.6 153.6 37.8 3.5 -6.6 4 9 A K - 0 0 89 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.694 24.7-172.5 -83.9 137.2 36.4 6.2 -4.2 5 10 A E E -A 69 0A 33 64,-2.3 64,-2.3 -2,-0.3 2,-0.1 -0.906 28.4-103.0-124.9 155.6 36.5 9.9 -5.2 6 11 A P E +A 68 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.442 37.6 174.3 -80.3 157.2 35.6 12.8 -3.0 7 12 A A E -A 67 0A 12 60,-1.9 60,-0.6 15,-0.1 2,-0.4 -0.951 22.2-130.5-150.1 164.9 32.4 14.8 -3.2 8 13 A T E -B 21 0A 81 13,-2.1 13,-2.6 -2,-0.3 2,-0.2 -0.949 28.3-107.4-120.6 142.4 30.8 17.6 -1.1 9 14 A L E +B 20 0A 49 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.425 38.7 162.5 -66.4 135.2 27.3 17.8 0.2 10 15 A I E - 0 0 78 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.684 68.4 -29.0-105.7 -59.9 24.8 20.1 -1.4 11 16 A K E -B 19 0A 123 8,-1.7 8,-3.5 0, 0.0 2,-0.4 -0.964 47.8-126.7-157.2 136.4 21.5 18.7 -0.1 12 17 A A E +B 18 0A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.745 29.4 178.9 -75.3 132.1 19.9 15.4 1.0 13 18 A I - 0 0 43 4,-1.9 2,-0.3 -2,-0.4 5,-0.2 0.829 56.2 -21.3-102.8 -45.8 16.8 15.0 -1.1 14 19 A D S S- 0 0 5 3,-2.1 3,-0.5 39,-0.1 -1,-0.4 -0.842 81.2 -77.0-152.6-178.8 15.2 11.7 -0.1 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.861 131.5 25.8 -60.7 -32.9 16.3 8.4 1.6 16 21 A D S S+ 0 0 2 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.337 113.7 67.5-119.5 17.0 17.9 7.3 -1.6 17 22 A T E + C 0 30A 11 -3,-0.5 -3,-2.1 13,-0.2 -4,-1.9 -0.999 51.6 170.5-140.4 128.8 18.8 10.5 -3.5 18 23 A V E -BC 12 29A 0 11,-2.1 11,-3.4 -2,-0.4 2,-0.5 -0.989 27.0-134.0-136.9 144.9 21.3 13.2 -2.6 19 24 A K E +BC 11 28A 81 -8,-3.5 -9,-2.4 -2,-0.3 -8,-1.7 -0.877 33.5 171.6-101.4 129.2 22.8 16.2 -4.4 20 25 A L E -BC 9 27A 0 7,-2.6 7,-2.3 -2,-0.5 2,-0.6 -0.938 39.3-115.3-129.9 154.2 26.5 16.6 -4.2 21 26 A M E +BC 8 26A 84 -13,-2.6 -13,-2.1 -2,-0.3 2,-0.4 -0.860 42.2 178.9 -88.6 121.5 29.2 18.7 -5.8 22 27 A Y E > - C 0 25A 22 3,-2.8 3,-1.8 -2,-0.6 -15,-0.1 -0.996 64.2 -11.6-135.0 124.4 31.2 16.3 -7.8 23 28 A K T 3 S- 0 0 164 -17,-0.4 -1,-0.2 -2,-0.4 -16,-0.1 0.945 132.1 -51.8 44.7 55.5 34.2 17.3 -9.9 24 29 A G T 3 S+ 0 0 66 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.471 120.4 98.4 67.3 6.4 33.2 20.9 -9.5 25 30 A Q E < S-C 22 0A 130 -3,-1.8 -3,-2.8 -5,-0.0 2,-0.2 -0.969 75.6-115.1-124.6 141.3 29.5 20.5 -10.6 26 31 A P E +C 21 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.491 45.7 171.4 -64.4 137.2 26.2 20.0 -8.7 27 32 A M E -C 20 0A 47 -7,-2.3 -7,-2.6 -2,-0.2 2,-0.4 -0.983 32.7-126.2-152.3 141.4 24.9 16.6 -9.5 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.742 27.1-158.5 -89.5 131.3 22.0 14.4 -8.2 29 34 A F E -Cd 18 83A 1 -11,-3.4 -11,-2.1 -2,-0.4 2,-0.5 -0.958 8.6-158.2-111.6 137.0 23.0 10.9 -7.1 30 35 A R E -Cd 17 84A 37 53,-3.4 55,-1.3 -2,-0.4 2,-0.3 -0.940 31.1-114.3-108.4 127.6 20.8 7.9 -6.8 31 36 A L E > - d 0 85A 2 -15,-2.5 3,-1.0 -2,-0.5 55,-0.2 -0.465 34.0-118.6 -65.9 122.8 22.1 5.2 -4.4 32 37 A L T 3 S+ 0 0 13 53,-2.3 55,-0.1 -2,-0.3 -1,-0.1 -0.312 83.0 1.6 -61.3 135.1 22.9 2.0 -6.3 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.3 1,-0.1 2,-0.3 0.455 105.5 94.9 75.9 9.6 21.0 -1.2 -5.4 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.4 72,-0.3 72,-0.2 -0.945 50.8-158.6-131.2 151.1 18.6 -0.0 -2.8 35 40 A D E -H 105 0B 70 70,-2.3 70,-2.4 -2,-0.3 3,-0.0 -0.993 13.5-167.4-125.2 121.7 15.1 1.2 -2.6 36 41 A T - 0 0 6 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.729 36.1 -93.5 -96.6 153.4 13.9 3.3 0.3 37 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.373 53.8-119.2 -59.9 145.5 10.3 4.1 1.1 38 43 A E - 0 0 49 1,-0.1 9,-3.1 -24,-0.1 12,-0.3 -0.612 31.4-173.5-104.3 149.1 9.5 7.5 -0.5 39 44 A T S S+ 0 0 34 7,-0.2 -1,-0.1 11,-0.2 -25,-0.0 0.477 101.5 29.1-102.2 -20.4 8.4 10.8 0.7 40 45 A K S S+ 0 0 129 10,-0.0 6,-0.2 6,-0.0 -1,-0.1 -0.547 79.7 167.4-133.1 64.9 7.8 12.1 -2.8 41 46 A H B > -I 45 0C 52 4,-2.7 4,-1.3 -3,-0.2 5,-0.0 -0.715 44.4-122.7 -72.4 136.4 7.0 8.9 -4.6 42 47 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.774 104.5 15.1 -52.5 -33.1 5.6 10.0 -8.1 43 48 A K T 4 S+ 0 0 199 2,-0.1 -2,-0.0 -3,-0.0 0, 0.0 0.795 134.6 36.1-108.3 -50.0 2.3 8.2 -7.4 44 49 A K T 4 S- 0 0 142 1,-0.2 2,-1.2 -4,-0.0 0, 0.0 0.724 79.1-163.0 -84.9 -22.4 2.0 7.3 -3.7 45 50 A G B < +I 41 0C 25 -4,-1.3 -4,-2.7 1,-0.0 2,-0.5 -0.652 66.6 26.0 79.9 -94.2 3.6 10.5 -2.3 46 51 A V S S- 0 0 92 -2,-1.2 -7,-0.2 -6,-0.2 2,-0.2 -0.916 71.4-174.1-113.5 111.1 4.5 9.5 1.4 47 52 A E > - 0 0 64 -9,-3.1 3,-1.5 -2,-0.5 2,-0.2 -0.495 38.7 -81.5-100.7 164.6 5.1 5.9 2.4 48 53 A K T 3 S+ 0 0 161 1,-0.2 -1,-0.1 -2,-0.2 -10,-0.1 -0.536 118.8 14.8 -70.5 134.9 5.7 4.3 5.8 49 54 A Y T 3> S+ 0 0 38 -2,-0.2 4,-3.4 -12,-0.1 5,-0.3 0.233 95.7 114.9 76.6 -3.2 9.4 4.6 7.0 50 55 A G H <> S+ 0 0 0 -3,-1.5 4,-2.7 -12,-0.3 5,-0.2 0.961 78.8 42.4 -51.1 -59.3 9.8 7.3 4.2 51 56 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 115.4 50.5 -59.3 -39.6 10.4 10.0 6.7 52 57 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.8 45.4 -65.6 -48.5 12.7 7.8 8.8 53 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.918 113.5 50.0 -58.0 -43.8 14.8 6.7 5.8 54 59 A S H X S+ 0 0 29 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.917 111.9 47.6 -67.3 -36.6 15.1 10.2 4.6 55 60 A A H X S+ 0 0 44 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.908 109.5 53.7 -70.7 -35.4 16.1 11.4 8.1 56 61 A F H X S+ 0 0 46 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.947 111.7 44.3 -63.5 -50.3 18.8 8.7 8.5 57 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.943 113.8 51.2 -59.2 -47.8 20.4 9.6 5.1 58 63 A K H X S+ 0 0 93 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.918 113.7 42.7 -55.5 -50.1 20.3 13.3 5.9 59 64 A K H X S+ 0 0 143 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.918 114.8 49.6 -68.4 -43.3 21.9 12.9 9.4 60 65 A M H < S+ 0 0 54 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.895 117.3 40.2 -62.0 -42.4 24.5 10.5 8.2 61 66 A V H >< S+ 0 0 4 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.897 115.2 50.7 -78.1 -37.3 25.6 12.6 5.3 62 67 A E H 3< S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.773 112.4 46.5 -74.7 -25.7 25.4 16.0 7.1 63 68 A N T 3< S+ 0 0 129 -4,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.355 88.4 114.0 -97.5 6.3 27.5 14.9 10.0 64 69 A A < - 0 0 24 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.495 55.2-152.8 -78.9 145.1 30.2 13.2 8.0 65 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.855 87.3 19.2 -71.4 -41.0 33.8 14.5 7.9 66 71 A K - 0 0 140 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.999 65.0-164.1-141.4 130.0 34.4 13.0 4.4 67 72 A V E -AE 7 89A 14 -60,-0.6 -60,-1.9 -2,-0.4 2,-0.4 -0.969 14.2-177.6-114.9 131.1 32.0 11.9 1.7 68 73 A E E -AE 6 88A 55 20,-2.2 20,-3.1 -2,-0.4 2,-0.4 -0.972 14.6-148.0-127.8 151.7 33.2 9.7 -1.2 69 74 A V E -AE 5 87A 0 -64,-2.3 -64,-2.3 -2,-0.4 2,-0.4 -0.914 7.1-166.3-115.5 141.7 31.4 8.3 -4.2 70 75 A E E - E 0 86A 13 16,-2.3 16,-2.7 -2,-0.4 -66,-0.2 -0.961 10.2-151.2-129.8 109.0 32.2 5.0 -5.8 71 76 A F E - E 0 85A 11 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.462 17.5-126.6 -69.8 152.4 30.8 4.3 -9.4 72 77 A D - 0 0 5 12,-0.7 41,-0.2 3,-0.3 -1,-0.1 -0.126 33.7 -92.5 -85.5-168.6 30.2 0.7 -10.3 73 78 A K S S+ 0 0 138 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.545 103.5 54.4 -87.3 -6.1 31.6 -1.0 -13.5 74 79 A G S S- 0 0 21 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.125 108.1 -17.3-105.0-146.6 28.6 -0.2 -15.8 75 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.319 51.7-154.5 -60.0 143.2 26.6 3.0 -16.8 76 81 A R S S+ 0 0 118 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.473 74.3 41.6-102.5 -5.7 27.4 5.8 -14.3 77 82 A T B S-F 83 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.988 73.3-137.0-134.2 149.6 24.1 7.8 -14.9 78 83 A D > - 0 0 35 4,-2.2 3,-1.7 -2,-0.3 -2,-0.1 -0.253 45.1 -83.3 -90.9-172.2 20.5 6.7 -15.2 79 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.711 127.1 57.4 -71.2 -17.0 17.9 8.0 -17.7 80 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.285 119.6-105.9 -93.3 6.1 17.1 11.0 -15.4 81 86 A G S < S+ 0 0 45 -3,-1.7 2,-0.3 1,-0.3 -53,-0.3 0.604 72.7 144.1 82.4 4.4 20.6 12.1 -15.4 82 87 A R - 0 0 66 -55,-0.1 -4,-2.2 -53,-0.1 -1,-0.3 -0.680 54.1-116.4 -78.4 135.0 21.3 10.9 -11.8 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.4 -2,-0.3 2,-0.7 -0.367 23.4-141.4 -61.9 135.6 24.8 9.5 -10.9 84 89 A L E +d 30 0A 26 -8,-2.3 -12,-0.7 -55,-0.2 2,-0.3 -0.901 44.5 139.0-106.4 104.0 24.5 5.9 -9.9 85 90 A A E -dE 31 71A 1 -55,-1.3 -53,-2.3 -2,-0.7 2,-0.5 -0.923 59.0-112.7-142.0 164.3 27.0 5.3 -7.0 86 91 A Y E - E 0 70A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.5 -0.862 41.1-149.8 -89.8 130.9 27.8 3.8 -3.7 87 92 A I E - E 0 69A 1 -2,-0.5 7,-2.8 -18,-0.2 8,-0.6 -0.937 9.0-161.2-110.6 130.9 28.1 6.7 -1.3 88 93 A Y E -GE 93 68A 16 -20,-3.1 -20,-2.2 -2,-0.5 2,-0.5 -0.924 6.4-165.2-112.2 130.5 30.5 6.5 1.8 89 94 A A E > S-GE 92 67A 5 3,-2.2 3,-2.4 -2,-0.4 -22,-0.2 -0.992 85.4 -21.3-110.2 115.9 30.2 8.8 4.8 90 95 A D T 3 S- 0 0 59 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.901 129.3 -51.6 46.9 45.8 33.5 8.5 6.8 91 96 A G T 3 S+ 0 0 45 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.373 114.4 112.1 73.8 -1.8 34.2 5.2 5.2 92 97 A K E < S-G 89 0A 128 -3,-2.4 -3,-2.2 4,-0.0 2,-0.5 -0.891 71.2-121.2-100.1 137.2 30.9 3.5 5.9 93 98 A M E > -G 88 0A 14 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.559 14.1-156.2 -80.0 123.0 28.7 2.8 2.9 94 99 A L H > S+ 0 0 0 -7,-2.8 4,-2.5 -2,-0.5 5,-0.2 0.879 92.8 60.1 -61.8 -36.3 25.3 4.6 3.3 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.929 111.2 40.9 -59.9 -50.0 23.7 2.1 0.8 96 101 A E H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.898 111.2 56.3 -60.2 -46.2 24.6 -0.8 3.2 97 102 A A H X S+ 0 0 14 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.932 107.2 49.1 -56.5 -43.3 23.8 1.2 6.4 98 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.5 0.948 113.9 45.1 -61.5 -47.1 20.2 1.8 5.2 99 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 5,-0.2 0.921 109.9 56.1 -64.9 -45.2 19.6 -1.9 4.3 100 105 A R H 3<5S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 108.4 48.3 -53.2 -34.9 21.2 -3.0 7.7 101 106 A Q T 3<5S- 0 0 81 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.287 116.9-111.0 -90.3 1.8 18.6 -0.8 9.6 102 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.7 2,-0.2 -3,-0.2 0.822 88.0 117.7 68.5 33.2 15.7 -2.1 7.7 103 108 A L S - 0 0 161 3,-0.5 3,-1.9 -2,-0.4 -2,-0.0 -0.870 35.3-102.8-118.0 99.9 21.1 -4.7 -13.4 111 116 A K T 3 S+ 0 0 169 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.199 99.5 27.1 -53.7 144.0 24.4 -6.3 -14.3 112 117 A P T 3 S+ 0 0 50 0, 0.0 2,-2.1 0, 0.0 -39,-0.7 -0.932 110.8 70.3 -90.9 8.1 27.3 -5.1 -14.4 113 118 A N S < S+ 0 0 9 -3,-1.9 -3,-0.5 1,-0.2 -80,-0.1 -0.423 77.6 93.4 -82.7 64.3 26.4 -2.5 -11.8 114 119 A N > + 0 0 24 -2,-2.1 3,-1.8 -5,-0.1 4,-0.4 0.160 33.6 128.9-141.7 27.9 26.2 -5.2 -9.1 115 120 A T T 3 S+ 0 0 63 -3,-0.4 3,-0.3 1,-0.3 4,-0.2 0.855 84.0 33.1 -56.3 -44.3 29.6 -5.3 -7.5 116 121 A H T 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.148 85.2 113.2 -99.5 19.2 28.4 -5.0 -3.8 117 122 A E H <> S+ 0 0 26 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.892 77.1 47.2 -55.7 -44.4 25.1 -6.9 -4.4 118 123 A Q H > S+ 0 0 114 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.947 110.3 52.2 -70.5 -45.2 26.0 -9.9 -2.2 119 124 A H H > S+ 0 0 88 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 112.7 45.3 -50.6 -46.0 27.2 -7.8 0.6 120 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.884 108.6 54.9 -71.1 -37.1 23.9 -5.9 0.6 121 126 A R H X S+ 0 0 89 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 107.1 53.0 -60.2 -38.4 21.8 -9.0 0.4 122 127 A K H X S+ 0 0 144 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.895 110.0 47.2 -63.3 -44.5 23.7 -10.3 3.6 123 128 A S H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.873 111.1 51.0 -64.4 -38.8 22.8 -7.0 5.4 124 129 A E H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 106.9 53.8 -66.6 -43.2 19.1 -7.2 4.3 125 130 A A H X S+ 0 0 49 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 110.5 48.6 -53.6 -45.3 18.9 -10.9 5.6 126 131 A Q H X S+ 0 0 71 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.923 110.7 48.8 -61.8 -46.7 20.2 -9.6 9.0 127 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.3 0.877 112.5 48.9 -60.4 -39.1 17.7 -6.8 9.1 128 133 A K H ><5S+ 0 0 92 -4,-2.3 3,-1.5 2,-0.2 -2,-0.2 0.935 110.4 50.8 -65.0 -50.1 14.9 -9.2 8.2 129 134 A K H 3<5S+ 0 0 160 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.815 113.6 45.1 -56.4 -38.3 16.0 -11.7 11.0 130 135 A E T 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.480 107.5-130.4 -82.9 -4.2 16.1 -8.8 13.5 131 136 A K T < 5 + 0 0 150 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.903 41.0 177.8 55.4 50.4 12.6 -7.6 12.3 132 137 A L > < - 0 0 46 -5,-2.0 3,-2.7 3,-0.1 -1,-0.2 -0.737 46.6 -56.6 -93.3 130.9 13.8 -4.0 11.9 133 138 A N G > S+ 0 0 52 -2,-0.5 3,-2.0 1,-0.3 -30,-0.2 -0.183 135.6 30.3 55.6-103.2 11.6 -1.2 10.6 134 139 A I G 3 S+ 0 0 38 -32,-2.7 -1,-0.3 1,-0.3 -31,-0.1 0.818 126.4 49.5 -50.0 -37.6 10.4 -2.3 7.2 135 140 A W G < 0 0 71 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.314 360.0 360.0 -91.8 6.0 10.6 -5.9 8.4 136 141 A S < 0 0 106 -3,-2.0 -4,-0.1 -34,-0.1 -5,-0.1 -0.437 360.0 360.0 -87.6 360.0 8.7 -5.5 11.7