==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-NOV-10 2XWS . COMPND 2 MOLECULE: SIROHYDROCHLORIN COBALTOCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.V.ROMAO,D.LADAKIS,S.A.L.LOBO,M.A.CARRONDO,A.A.BRINDLEY,E.D . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.2 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 1 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G 0 0 126 0, 0.0 60,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.0 19.9 -23.1 -0.4 2 1 A M - 0 0 113 1,-0.1 2,-0.4 59,-0.1 58,-0.1 0.053 360.0-160.9 -59.4 115.3 17.6 -21.1 -2.8 3 2 A R - 0 0 111 56,-0.2 59,-1.8 32,-0.0 58,-1.5 -0.691 22.0-153.0 -72.6 130.9 18.7 -18.0 -4.6 4 3 A R E -a 62 0A 76 -2,-0.4 32,-3.0 57,-0.2 33,-1.2 -0.948 12.5-170.9-121.1 131.8 15.4 -16.2 -5.7 5 4 A G E -ab 63 37A 0 57,-2.8 59,-3.1 -2,-0.5 2,-0.4 -0.785 11.9-151.1-119.3 161.9 15.1 -13.9 -8.7 6 5 A L E -ab 64 38A 9 31,-2.1 33,-2.6 -2,-0.3 2,-0.5 -1.000 4.2-167.7-131.1 130.8 12.5 -11.6 -10.1 7 6 A V E -ab 65 39A 0 57,-2.7 59,-3.1 -2,-0.4 2,-0.6 -0.991 10.5-155.6-115.3 119.7 12.1 -10.6 -13.8 8 7 A I E -ab 66 40A 10 31,-3.0 33,-2.3 -2,-0.5 2,-0.5 -0.892 16.9-155.2 -95.2 123.1 9.7 -7.7 -14.4 9 8 A V E +ab 67 41A 0 57,-2.7 59,-3.2 -2,-0.6 33,-0.2 -0.818 17.6 171.6-111.7 126.6 8.4 -8.0 -17.9 10 9 A G E - b 0 42A 0 31,-2.7 33,-2.7 -2,-0.5 59,-0.1 -0.482 28.9-100.9-113.1-169.6 7.1 -5.1 -20.1 11 10 A H - 0 0 58 31,-0.2 -1,-0.2 57,-0.2 33,-0.2 -0.007 49.8 -73.8 -99.1-158.4 6.0 -4.7 -23.7 12 11 A G S S+ 0 0 11 31,-0.2 32,-0.1 30,-0.1 30,-0.0 0.346 76.8 132.4 -89.6 5.7 7.6 -3.3 -26.8 13 12 A S - 0 0 34 1,-0.2 -3,-0.0 5,-0.0 31,-0.0 -0.302 33.4-173.1 -59.4 134.5 7.5 0.4 -26.0 14 13 A Q + 0 0 129 4,-0.1 -1,-0.2 33,-0.0 2,-0.1 0.225 36.4 136.1-113.6 17.0 10.8 2.1 -26.6 15 14 A L > - 0 0 116 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.337 59.4-131.4 -57.6 135.3 9.7 5.4 -25.1 16 15 A N H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.918 105.6 53.2 -63.6 -35.8 12.5 6.5 -22.9 17 16 A H H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.867 105.9 56.4 -71.7 -34.9 10.4 7.3 -19.8 18 17 A Y H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 109.1 45.7 -57.3 -46.4 8.9 3.7 -20.1 19 18 A R H X S+ 0 0 66 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 112.6 51.0 -61.7 -39.4 12.3 2.3 -19.9 20 19 A E H X S+ 0 0 107 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.918 109.0 50.2 -67.1 -38.7 13.1 4.6 -17.0 21 20 A V H X S+ 0 0 42 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.905 110.4 50.3 -65.5 -46.0 10.0 3.6 -15.0 22 21 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.964 113.2 46.4 -59.1 -43.5 10.8 -0.2 -15.5 23 22 A E H X S+ 0 0 78 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.860 106.4 58.7 -62.9 -41.3 14.3 0.6 -14.2 24 23 A L H X S+ 0 0 77 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.940 111.6 41.6 -51.6 -52.0 12.9 2.6 -11.3 25 24 A H H X S+ 0 0 64 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.911 113.7 52.5 -62.3 -41.4 10.9 -0.4 -10.0 26 25 A R H X S+ 0 0 32 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.937 113.0 44.3 -60.6 -43.8 13.8 -2.8 -10.7 27 26 A K H X S+ 0 0 82 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.908 111.8 51.7 -68.1 -43.7 16.2 -0.6 -8.7 28 27 A R H X S+ 0 0 139 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.917 114.0 44.4 -57.5 -43.2 13.8 -0.1 -5.8 29 28 A I H X>S+ 0 0 51 -4,-2.4 5,-0.7 2,-0.2 4,-0.6 0.904 111.5 52.7 -71.5 -44.5 13.2 -3.8 -5.6 30 29 A E H ><5S+ 0 0 87 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.950 110.2 49.6 -52.4 -48.6 17.0 -4.6 -5.9 31 30 A E H 3<5S+ 0 0 126 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 101.5 63.3 -63.8 -25.1 17.7 -2.2 -3.1 32 31 A S H 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.688 97.3-136.1 -69.0 -21.1 15.1 -3.7 -0.9 33 32 A G T <<5 + 0 0 56 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.1 0.551 63.7 132.0 70.6 6.6 16.8 -7.1 -0.7 34 33 A A S S- 0 0 3 -2,-1.7 3,-1.0 -33,-0.2 -2,-0.1 -0.986 78.7-103.9-154.4 140.4 8.5 -8.2 -27.7 45 44 A R T 3 S+ 0 0 132 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.283 103.5 20.4 -58.0 152.2 10.5 -9.0 -30.8 46 45 A K T 3 S+ 0 0 192 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.785 100.6 107.7 56.3 28.0 13.5 -6.9 -31.4 47 46 A R < - 0 0 49 -3,-1.0 -1,-0.2 -5,-0.2 -3,-0.1 -0.939 67.7-101.2-126.2 151.6 13.7 -5.7 -27.8 48 47 A R S S+ 0 0 166 -2,-0.3 2,-0.1 1,-0.3 -5,-0.1 -0.998 89.2 18.1-137.7 143.7 16.4 -6.9 -25.3 49 48 A P S S- 0 0 38 0, 0.0 -7,-2.4 0, 0.0 -1,-0.3 0.578 72.3-160.4 -84.0 152.5 16.5 -8.7 -23.2 50 49 A M > - 0 0 39 -9,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.451 38.0-101.6 -76.7 164.7 13.6 -10.9 -23.9 51 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.898 123.3 51.9 -66.9 -33.5 12.3 -13.0 -20.8 52 51 A D H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 110.8 47.6 -64.9 -43.4 14.0 -16.2 -22.1 53 52 A E H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 113.0 49.5 -63.8 -40.0 17.4 -14.4 -22.5 54 53 A A H X S+ 0 0 2 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.922 111.5 47.4 -67.5 -39.4 17.0 -12.8 -19.0 55 54 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.887 109.0 54.3 -71.4 -36.4 16.3 -16.1 -17.3 56 55 A R H < S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.918 109.0 49.0 -58.5 -39.1 19.2 -17.9 -19.1 57 56 A E H < S+ 0 0 117 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.795 96.8 86.7 -71.7 -28.8 21.6 -15.2 -17.8 58 57 A M < - 0 0 0 -4,-1.3 -53,-0.1 -3,-0.2 -21,-0.0 -0.578 61.1-159.2 -79.4 129.2 20.3 -15.5 -14.1 59 58 A N + 0 0 131 -2,-0.4 -56,-0.2 41,-0.0 2,-0.1 0.017 48.6 128.0 -93.9 28.2 21.8 -18.1 -11.8 60 59 A C - 0 0 2 -5,-0.2 -56,-0.2 1,-0.1 3,-0.1 -0.463 59.3-138.6 -83.9 156.1 18.9 -18.2 -9.4 61 60 A D S S+ 0 0 88 -58,-1.5 40,-2.3 1,-0.3 2,-0.4 0.829 92.4 25.3 -81.2 -36.5 17.2 -21.5 -8.4 62 61 A I E S-ac 4 101A 13 -59,-1.8 -57,-2.8 38,-0.2 2,-0.4 -0.996 71.0-169.0-132.3 138.5 13.7 -20.0 -8.6 63 62 A I E -ac 5 102A 0 38,-2.1 40,-2.4 -2,-0.4 2,-0.4 -0.990 8.9-154.0-133.0 125.7 12.7 -17.0 -10.7 64 63 A Y E -ac 6 103A 66 -59,-3.1 -57,-2.7 -2,-0.4 2,-0.6 -0.813 9.2-156.2 -98.4 138.9 9.4 -15.2 -10.4 65 64 A V E -ac 7 104A 0 38,-2.8 40,-2.9 -2,-0.4 -57,-0.2 -0.963 8.5-168.8-121.9 112.2 8.3 -13.4 -13.6 66 65 A V E -a 8 0A 37 -59,-3.1 -57,-2.7 -2,-0.6 2,-0.6 -0.922 16.6-139.5-108.4 120.8 5.9 -10.5 -13.1 67 66 A P E -a 9 0A 0 0, 0.0 2,-2.1 0, 0.0 41,-1.1 -0.671 9.7-146.8 -77.6 116.0 4.0 -9.0 -16.1 68 67 A L + 0 0 42 -59,-3.2 2,-0.4 -2,-0.6 -57,-0.2 -0.582 56.5 129.5 -80.5 76.1 4.0 -5.1 -15.5 69 68 A F - 0 0 19 -2,-2.1 40,-1.9 1,-0.1 39,-0.6 -0.990 60.1-148.6-136.9 140.7 0.7 -5.0 -17.3 70 69 A I S S+ 0 0 117 -2,-0.4 2,-0.3 38,-0.2 -1,-0.1 0.796 84.6 16.4 -72.0 -31.3 -2.7 -3.4 -16.5 71 70 A S S S- 0 0 76 38,-0.1 2,-2.1 39,-0.0 5,-0.1 -0.869 88.8 -89.6-140.1 165.0 -4.7 -6.1 -18.4 72 71 A Y + 0 0 39 -2,-0.3 18,-0.0 4,-0.1 2,-0.0 -0.458 62.3 163.2 -76.5 74.2 -4.5 -9.6 -19.8 73 72 A G >> - 0 0 26 -2,-2.1 4,-2.4 1,-0.1 3,-1.4 -0.152 57.6 -88.7 -80.8 179.7 -3.3 -8.5 -23.2 74 73 A L H 3>>S+ 0 0 106 1,-0.3 5,-2.6 2,-0.2 4,-2.2 0.797 124.9 64.3 -67.2 -23.3 -1.7 -10.8 -25.8 75 74 A H H 34>S+ 0 0 52 3,-0.2 5,-2.8 1,-0.2 -1,-0.3 0.852 111.3 36.8 -62.8 -34.4 1.7 -10.1 -24.4 76 75 A V H <45S+ 0 0 6 -3,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.882 124.6 36.2 -85.4 -46.8 0.6 -11.7 -21.1 77 76 A T H <5S+ 0 0 21 -4,-2.4 12,-2.2 11,-0.1 -3,-0.2 0.746 137.0 9.4 -84.4 -22.6 -1.6 -14.6 -22.3 78 77 A E T X5S+ 0 0 64 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.743 123.6 43.7-118.8 -58.0 0.4 -15.5 -25.5 79 78 A D H >>S+ 0 0 0 0, 0.0 5,-2.6 0, 0.0 4,-1.0 0.939 112.6 53.6 -63.9 -40.3 4.5 -17.8 -22.1 82 81 A D H ><5S+ 0 0 76 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.944 107.8 51.1 -56.8 -44.0 5.5 -18.7 -25.7 83 82 A L H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.836 117.5 38.4 -63.2 -30.5 8.9 -17.1 -25.1 84 83 A L H 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.444 112.7-114.3 -96.5 0.5 9.4 -19.2 -22.0 85 84 A G T <<5S+ 0 0 70 -3,-1.1 -3,-0.2 -4,-1.0 11,-0.1 0.742 71.3 136.2 67.6 32.3 7.7 -22.4 -23.3 86 85 A F < - 0 0 17 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.656 62.8 -81.5-109.2 160.8 4.9 -22.2 -20.8 87 86 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.294 47.1-120.7 -59.7 141.2 1.1 -22.7 -21.4 88 87 A R + 0 0 137 -7,-0.1 -10,-0.2 -3,-0.1 2,-0.2 -0.283 67.0 56.1 -73.7 166.0 -0.8 -19.8 -22.8 89 88 A G S S- 0 0 28 -12,-2.2 2,-0.1 -15,-0.1 0, 0.0 -0.556 84.6 -40.4 110.7-166.8 -3.7 -18.1 -21.1 90 89 A R S S+ 0 0 175 -2,-0.2 16,-0.1 2,-0.0 2,-0.0 -0.384 81.3 43.3 -91.7 170.1 -4.4 -16.4 -17.7 91 90 A G S S- 0 0 23 -2,-0.1 2,-0.2 2,-0.1 13,-0.0 -0.060 90.0 -36.8 94.7 173.9 -3.3 -17.2 -14.2 92 91 A I - 0 0 109 11,-0.0 2,-0.5 14,-0.0 13,-0.2 -0.489 55.4-163.2 -70.0 139.3 -0.2 -18.2 -12.2 93 92 A K E -D 104 0A 20 11,-2.6 11,-2.8 -2,-0.2 2,-0.4 -0.976 6.4-165.2-132.0 121.3 2.0 -20.8 -14.0 94 93 A E E +D 103 0A 135 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.878 34.1 112.6-107.5 140.1 4.6 -22.9 -12.4 95 94 A G E -D 102 0A 23 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.828 53.6 -85.7-171.8-161.2 7.2 -24.7 -14.5 96 95 A E E -D 101 0A 138 5,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.975 16.0-164.4-130.2 153.8 10.9 -24.9 -15.4 97 96 A F E > S-D 100 0A 27 3,-2.4 3,-2.3 -2,-0.3 -12,-0.1 -0.953 82.2 -25.2-139.4 117.1 13.2 -23.3 -17.8 98 97 A E T 3 S- 0 0 108 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.893 128.4 -47.6 50.0 43.7 16.5 -25.0 -18.4 99 98 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.300 114.3 118.1 85.6 -13.4 16.4 -26.6 -15.1 100 99 A K E < - D 0 97A 31 -3,-2.3 -3,-2.4 -38,-0.0 2,-0.3 -0.725 69.8-118.6 -86.6 138.3 15.4 -23.4 -13.2 101 100 A K E -cD 62 96A 80 -40,-2.3 -38,-2.1 -2,-0.3 2,-0.4 -0.642 38.2-174.6 -75.9 134.9 12.1 -23.3 -11.4 102 101 A V E -cD 63 95A 1 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.5 -0.996 14.4-168.8-134.9 136.1 10.1 -20.4 -12.9 103 102 A V E -cD 64 94A 13 -40,-2.4 -38,-2.8 -2,-0.4 2,-0.7 -0.966 11.7-152.6-127.8 116.8 6.7 -19.1 -11.8 104 103 A I E -cD 65 93A 4 -11,-2.8 -11,-2.6 -2,-0.5 -38,-0.2 -0.776 22.0-156.2 -89.8 120.6 4.9 -16.7 -14.2 105 104 A C - 0 0 33 -40,-2.9 3,-0.1 -2,-0.7 -14,-0.0 -0.322 22.9 -86.4 -89.5 174.5 2.8 -14.5 -11.9 106 105 A E - 0 0 87 1,-0.1 -1,-0.1 -40,-0.1 -37,-0.1 -0.459 50.9 -93.1 -79.1 150.6 -0.4 -12.6 -12.8 107 106 A P - 0 0 18 0, 0.0 3,-0.4 0, 0.0 -39,-0.2 -0.221 33.8-121.6 -54.7 159.6 -0.3 -9.1 -14.3 108 107 A I S > S+ 0 0 58 -41,-1.1 3,-2.0 -39,-0.6 6,-0.3 0.631 83.8 99.2 -84.3 -13.0 -0.5 -6.3 -11.7 109 108 A G T 3 S+ 0 0 14 -40,-1.9 -1,-0.2 1,-0.3 -39,-0.1 0.760 82.3 45.2 -56.5 -33.0 -3.6 -4.5 -13.0 110 109 A E T 3 S+ 0 0 160 -3,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.600 85.5 120.0 -90.0 -0.4 -6.3 -5.9 -10.7 111 110 A D S X> S- 0 0 82 -3,-2.0 3,-1.8 1,-0.2 4,-1.5 -0.230 71.9-127.6 -65.0 145.3 -4.3 -5.5 -7.5 112 111 A Y H 3> S+ 0 0 196 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.815 110.6 67.3 -58.9 -24.5 -5.6 -3.2 -4.8 113 112 A F H 3> S+ 0 0 166 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.815 96.4 52.0 -68.3 -24.2 -2.3 -1.6 -4.9 114 113 A V H <> S+ 0 0 33 -3,-1.8 4,-2.2 -6,-0.3 -1,-0.2 0.904 108.3 52.3 -73.4 -36.0 -3.2 -0.3 -8.4 115 114 A T H X S+ 0 0 71 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.934 111.7 46.5 -58.9 -43.6 -6.4 1.1 -6.9 116 115 A Y H X S+ 0 0 152 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.849 106.5 57.0 -73.8 -26.2 -4.3 2.8 -4.3 117 116 A A H X S+ 0 0 59 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.908 107.3 50.7 -64.1 -37.7 -1.9 4.1 -6.9 118 117 A I H >X S+ 0 0 113 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.962 112.3 45.1 -63.2 -45.5 -4.9 5.8 -8.6 119 118 A L H >X S+ 0 0 62 -4,-2.1 4,-2.7 1,-0.2 3,-0.9 0.879 110.7 54.9 -64.2 -38.6 -6.0 7.3 -5.3 120 119 A N H 3X S+ 0 0 66 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.668 94.3 66.5 -74.0 -16.4 -2.4 8.4 -4.5 121 120 A S H << S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.835 113.9 34.6 -65.4 -31.8 -2.1 10.3 -7.8 122 121 A V H << S+ 0 0 110 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.917 126.0 38.4 -78.3 -53.7 -4.8 12.5 -6.2 123 122 A F H < S- 0 0 121 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.816 82.4-159.3 -75.7 -31.5 -3.6 12.4 -2.6 124 123 A R < + 0 0 202 -4,-2.2 2,-0.4 -5,-0.2 -3,-0.1 0.842 21.3 172.2 54.2 42.3 0.2 12.5 -3.3 125 124 A I 0 0 124 -5,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.653 360.0 360.0 -78.0 124.8 1.1 11.0 0.1 126 125 A G 0 0 123 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.133 360.0 360.0 79.1 360.0 4.9 10.3 0.2