==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-MAR-12 4E1N . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR E.B.LANSDON . 146 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 1 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 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 56 A C 0 0 111 0, 0.0 24,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -49.0 -19.1 10.7 -10.5 2 57 A S > - 0 0 66 1,-0.1 3,-1.1 2,-0.1 23,-0.4 -0.254 360.0-140.1 -54.7 128.7 -21.2 10.5 -13.7 3 58 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.523 89.8 58.5 -81.0 -13.8 -19.4 12.8 -16.2 4 59 A G T 3 S+ 0 0 2 51,-0.1 52,-2.4 49,-0.0 53,-1.9 0.337 82.7 112.1 -93.1 8.2 -22.2 14.6 -18.0 5 60 A I E < +a 57 0A 33 -3,-1.1 19,-1.2 51,-0.2 20,-0.5 -0.717 36.4 168.9 -98.0 124.1 -23.6 16.1 -14.7 6 61 A W E -aB 58 23A 2 51,-2.3 53,-2.7 -2,-0.5 2,-0.5 -0.957 22.0-146.8-127.3 145.6 -23.6 19.8 -13.9 7 62 A Q E -aB 59 22A 7 15,-2.6 15,-2.5 -2,-0.4 2,-0.5 -0.960 14.2-162.8-111.8 129.7 -25.4 21.7 -11.1 8 63 A L E + B 0 21A 0 51,-2.6 53,-0.5 -2,-0.5 54,-0.3 -0.946 17.1 160.2-115.2 129.1 -26.5 25.3 -11.8 9 64 A D E - B 0 20A 21 11,-2.5 11,-3.0 -2,-0.5 2,-0.4 -0.993 27.5-135.7-143.8 150.9 -27.4 27.8 -9.0 10 65 A X E - B 0 19A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.845 18.2-175.0-106.2 142.6 -27.7 31.5 -8.7 11 66 A T E - B 0 18A 48 7,-2.3 7,-3.9 -2,-0.4 2,-0.4 -0.932 18.3-131.8-126.1 159.3 -26.4 33.7 -5.9 12 67 A H E + B 0 17A 118 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.911 29.2 161.4-111.4 138.2 -26.8 37.4 -5.2 13 68 A L E > S+ B 0 16A 63 3,-1.9 3,-1.6 -2,-0.4 -2,-0.0 -0.945 71.1 0.0-152.0 133.8 -23.9 39.7 -4.3 14 69 A E T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.806 128.4 -59.9 55.4 34.8 -23.9 43.5 -4.5 15 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 21,-0.0 2,-0.3 0.685 118.4 106.8 71.5 17.0 -27.5 43.6 -5.8 16 71 A K E < -B 13 0A 95 -3,-1.6 -3,-1.9 20,-0.0 2,-0.5 -0.778 69.0-116.8-123.3 168.2 -26.3 41.5 -8.8 17 72 A V E -BC 12 34A 8 17,-1.6 17,-3.1 -2,-0.3 2,-0.6 -0.926 16.8-160.2-116.5 127.3 -26.9 37.8 -9.8 18 73 A I E -BC 11 33A 0 -7,-3.9 -7,-2.3 -2,-0.5 2,-0.6 -0.901 6.4-155.5-106.5 118.9 -24.1 35.3 -10.1 19 74 A L E -BC 10 32A 0 13,-3.2 13,-2.0 -2,-0.6 2,-0.5 -0.847 16.2-170.8 -92.4 123.9 -24.9 32.2 -12.1 20 75 A V E -BC 9 31A 1 -11,-3.0 -11,-2.5 -2,-0.6 2,-0.5 -0.964 11.5-171.6-123.3 123.5 -22.7 29.2 -11.1 21 76 A A E -BC 8 30A 0 9,-3.3 9,-2.4 -2,-0.5 2,-0.5 -0.965 7.4-167.7-111.4 127.6 -22.3 25.9 -12.8 22 77 A V E -BC 7 29A 0 -15,-2.5 -15,-2.6 -2,-0.5 2,-1.1 -0.961 21.7-137.7-115.9 125.9 -20.3 23.2 -11.1 23 78 A H E >>> -BC 6 28A 0 5,-2.7 4,-3.0 -2,-0.5 3,-1.5 -0.742 25.2-150.1 -78.6 104.0 -19.3 20.0 -12.9 24 79 A V T 345S+ 0 0 12 -19,-1.2 -1,-0.2 -2,-1.1 -18,-0.1 0.835 85.8 52.8 -52.8 -47.4 -20.1 17.7 -10.0 25 80 A A T 345S+ 0 0 32 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.758 126.8 20.8 -64.8 -23.0 -17.5 14.9 -10.5 26 81 A S T <45S- 0 0 3 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.594 93.7-124.1-119.7 -20.2 -14.5 17.4 -10.7 27 82 A G T <5 + 0 0 1 -4,-3.0 -3,-0.1 1,-0.3 2,-0.1 0.513 55.0 154.7 81.6 4.0 -15.6 20.6 -8.9 28 83 A Y E < -C 23 0A 35 -5,-0.6 -5,-2.7 109,-0.3 2,-0.4 -0.428 29.5-148.3 -63.4 135.3 -14.8 22.6 -12.0 29 84 A I E -C 22 0A 0 96,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.858 23.8-175.3-115.0 142.7 -16.7 25.9 -12.2 30 85 A E E +C 21 0A 47 -9,-2.4 -9,-3.3 -2,-0.4 2,-0.3 -0.995 24.9 170.1-118.8 132.2 -18.1 28.1 -15.0 31 86 A A E -C 20 0A 5 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.984 15.7-179.3-141.5 153.7 -19.7 31.3 -13.7 32 87 A E E -C 19 0A 73 -13,-2.0 -13,-3.2 -2,-0.3 2,-0.6 -0.988 28.2-124.8-144.2 149.4 -21.1 34.6 -15.1 33 88 A V E -C 18 0A 24 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.872 32.3-167.3 -92.9 125.1 -22.6 37.7 -13.5 34 89 A I E -C 17 0A 8 -17,-3.1 -17,-1.6 -2,-0.6 3,-0.1 -0.848 28.9-121.2-114.9 151.6 -26.0 38.3 -15.0 35 90 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.924 90.2 -16.6 -60.8 -48.9 -28.1 41.5 -14.7 36 91 A A S S- 0 0 46 -20,-0.1 2,-0.5 -19,-0.1 5,-0.2 -0.971 82.9 -85.6-146.0 158.9 -31.1 39.8 -13.1 37 92 A E + 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.534 63.3 158.0 -59.6 116.4 -32.3 36.2 -12.9 38 93 A T > - 0 0 57 -2,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.995 54.7-126.3-142.8 148.9 -34.2 35.6 -16.1 39 94 A G H > S+ 0 0 21 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.900 114.4 58.4 -51.7 -40.2 -35.2 32.6 -18.2 40 95 A Q H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 107.3 43.5 -55.8 -45.3 -33.5 34.4 -21.0 41 96 A E H > S+ 0 0 59 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.901 115.3 47.9 -74.1 -41.2 -30.1 34.7 -19.3 42 97 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 111.0 51.6 -63.6 -47.2 -30.2 31.1 -18.0 43 98 A A H X S+ 0 0 10 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.949 112.5 46.3 -54.4 -51.0 -31.2 29.7 -21.5 44 99 A Y H X S+ 0 0 137 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.893 111.8 50.3 -62.1 -42.9 -28.3 31.6 -23.1 45 100 A F H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.930 111.1 50.1 -58.7 -45.0 -25.8 30.5 -20.4 46 101 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.893 107.2 53.0 -62.1 -43.6 -26.9 26.8 -20.9 47 102 A L H X S+ 0 0 75 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.894 113.2 44.8 -59.1 -39.4 -26.5 27.0 -24.7 48 103 A K H X S+ 0 0 58 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.918 113.0 50.0 -71.8 -44.0 -23.0 28.3 -24.2 49 104 A L H >X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 3,-1.4 0.929 110.8 48.7 -58.1 -47.7 -22.1 25.7 -21.6 50 105 A A H 3< S+ 0 0 25 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.718 105.7 58.5 -70.5 -22.2 -23.4 22.8 -23.6 51 106 A G H 3< S+ 0 0 60 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.627 114.4 37.6 -78.9 -12.5 -21.4 24.0 -26.7 52 107 A R H << S+ 0 0 158 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.1 0.757 123.6 25.6-109.4 -34.3 -18.2 23.8 -24.7 53 108 A W S < S- 0 0 49 -4,-2.2 2,-1.3 -5,-0.1 -1,-0.3 -0.905 88.5 -96.5-132.4 155.1 -18.6 20.6 -22.5 54 109 A P - 0 0 56 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.614 46.0-173.0 -75.6 96.7 -20.7 17.5 -22.8 55 110 A V + 0 0 13 -2,-1.3 -50,-0.2 -5,-0.3 3,-0.1 -0.822 19.7 157.4 -96.2 112.4 -23.7 18.4 -20.7 56 111 A K + 0 0 129 -52,-2.4 25,-2.3 -2,-0.7 2,-0.4 0.811 65.3 15.1 -97.6 -39.3 -26.1 15.5 -20.2 57 112 A T E -ad 5 81A 29 -53,-1.9 -51,-2.3 23,-0.2 2,-0.5 -0.998 60.2-150.5-144.7 137.5 -28.0 16.4 -17.1 58 113 A V E -ad 6 82A 0 23,-1.8 25,-1.5 -2,-0.4 2,-0.3 -0.933 11.0-170.5-112.1 132.5 -28.5 19.5 -15.0 59 114 A H E +a 7 0A 16 -53,-2.7 -51,-2.6 -2,-0.5 2,-0.3 -0.782 11.3 173.6-107.1 159.9 -29.2 19.5 -11.3 60 115 A T - 0 0 10 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.972 41.3-134.2-157.6 162.9 -30.2 22.6 -9.3 61 116 A D S S+ 0 0 121 -53,-0.5 2,-0.2 -2,-0.3 -52,-0.1 0.298 105.8 50.6 -99.3 2.5 -31.3 23.7 -5.8 62 117 A N > - 0 0 68 -54,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.674 64.0-180.0-140.4 85.3 -34.1 25.7 -7.4 63 118 A G G > S+ 0 0 45 1,-0.3 3,-2.1 -3,-0.2 -1,-0.1 0.798 76.6 69.2 -54.7 -35.6 -36.1 23.7 -9.9 64 119 A S G > S+ 0 0 74 1,-0.3 3,-1.5 2,-0.1 -1,-0.3 0.790 83.5 72.4 -59.1 -23.9 -38.4 26.6 -10.8 65 120 A N G < S+ 0 0 33 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.649 96.5 52.6 -69.6 -6.8 -35.5 28.4 -12.5 66 121 A F G < S+ 0 0 7 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.1 0.022 86.2 83.8-114.8 27.9 -35.7 25.8 -15.4 67 122 A T < + 0 0 89 -3,-1.5 -1,-0.1 4,-0.1 -2,-0.1 0.574 59.4 107.0-108.8 -12.4 -39.4 26.1 -16.3 68 123 A S S > S- 0 0 38 -4,-0.3 4,-2.3 -3,-0.2 5,-0.2 -0.242 78.4-116.6 -65.9 158.5 -39.5 29.0 -18.6 69 124 A A H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 115.1 55.6 -61.0 -38.1 -40.1 28.5 -22.4 70 125 A T H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.950 111.2 42.5 -61.5 -47.8 -36.6 30.0 -23.1 71 126 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.860 112.6 52.7 -68.3 -38.5 -34.9 27.5 -20.8 72 127 A K H X S+ 0 0 113 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.896 108.3 52.7 -59.0 -43.9 -37.0 24.5 -22.0 73 128 A A H X S+ 0 0 50 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.894 108.8 49.9 -57.3 -43.7 -36.0 25.5 -25.6 74 129 A A H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.911 113.8 42.8 -64.9 -45.9 -32.3 25.5 -24.6 75 130 A X H X>S+ 0 0 13 -4,-2.1 5,-2.8 2,-0.2 4,-1.1 0.891 115.1 51.6 -68.8 -40.8 -32.4 22.0 -23.0 76 131 A W H <5S+ 0 0 203 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.943 113.0 44.1 -57.4 -49.4 -34.5 20.7 -25.8 77 132 A W H <5S+ 0 0 187 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 118.2 43.1 -66.4 -41.0 -32.1 21.9 -28.4 78 133 A A H <5S- 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.537 111.2-116.9 -85.8 -5.5 -29.0 20.8 -26.6 79 134 A G T <5 + 0 0 54 -4,-1.1 2,-0.5 -3,-0.4 -3,-0.2 0.836 59.0 156.5 77.7 33.5 -30.4 17.4 -25.7 80 135 A I < - 0 0 9 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.806 28.7-156.5 -99.1 129.7 -30.2 18.1 -21.9 81 136 A K E -d 57 0A 152 -25,-2.3 -23,-1.8 -2,-0.5 2,-0.5 -0.771 11.3-139.5 -97.1 146.7 -32.4 16.3 -19.4 82 137 A Q E -d 58 0A 63 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.928 15.9-130.1-108.4 125.6 -33.1 17.8 -16.0 83 138 A E - 0 0 80 -25,-1.5 2,-0.6 -2,-0.5 -23,-0.1 -0.429 21.2-118.7 -65.8 143.6 -33.2 15.5 -12.9 84 139 A F S S- 0 0 201 -2,-0.1 -1,-0.1 -25,-0.1 -25,-0.0 -0.787 79.9 -36.9 -77.9 122.8 -36.2 15.8 -10.6 85 140 A G S S- 0 0 46 -2,-0.6 -25,-0.2 1,-0.1 -23,-0.1 -0.150 98.9 -61.6 53.4-152.8 -34.6 16.9 -7.3 86 141 A I 0 0 87 -27,-0.1 -1,-0.1 1,-0.1 -27,-0.0 -0.946 360.0 360.0-132.4 111.5 -31.2 15.4 -6.6 87 142 A P 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.594 360.0 360.0 -67.5 360.0 -30.8 11.6 -6.2 88 ! 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 89 144 A N 0 0 103 0, 0.0 4,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 133.9 -25.5 10.2 -4.2 90 145 A P > + 0 0 117 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.976 360.0 46.4 -66.5 -62.0 -22.7 9.2 -1.7 91 146 A Q T 3 S+ 0 0 84 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.697 115.1 46.5 -62.0 -23.6 -19.5 10.4 -3.4 92 147 A S T >> S+ 0 0 23 2,-0.1 3,-1.9 3,-0.1 4,-0.5 0.378 75.6 139.0-102.8 5.3 -20.8 13.9 -4.3 93 148 A Q T <4 S- 0 0 78 -3,-1.6 0, 0.0 1,-0.3 0, 0.0 -0.270 83.4 -6.3 -53.1 121.6 -22.4 14.8 -1.0 94 149 A G T 3> S+ 0 0 25 1,-0.1 4,-3.1 3,-0.0 -1,-0.3 0.400 98.1 118.2 75.4 -4.5 -21.6 18.4 -0.3 95 150 A V H <> S+ 0 0 37 -3,-1.9 4,-3.2 2,-0.2 5,-0.3 0.987 79.6 42.0 -53.7 -63.3 -19.3 18.9 -3.2 96 151 A I H X S+ 0 0 18 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.859 116.4 50.1 -54.9 -40.1 -21.4 21.6 -4.9 97 152 A E H > S+ 0 0 141 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.940 113.6 45.8 -60.4 -49.2 -22.0 23.2 -1.5 98 153 A S H X S+ 0 0 38 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.877 111.7 50.8 -61.9 -42.2 -18.3 23.2 -0.8 99 154 A M H X S+ 0 0 24 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.920 110.9 48.7 -64.9 -42.7 -17.3 24.5 -4.3 100 155 A N H X S+ 0 0 28 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.810 110.5 52.8 -64.9 -30.1 -19.8 27.3 -3.9 101 156 A K H X S+ 0 0 144 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.894 111.6 45.0 -70.9 -40.8 -18.3 28.0 -0.5 102 157 A E H X S+ 0 0 71 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.934 109.9 53.9 -69.2 -46.7 -14.8 28.2 -1.9 103 158 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 110.7 47.3 -52.6 -45.8 -15.7 30.4 -4.9 104 159 A K H X S+ 0 0 51 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.888 109.7 52.3 -66.8 -39.6 -17.3 32.9 -2.5 105 160 A K H X S+ 0 0 129 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.943 112.9 45.7 -58.7 -46.9 -14.3 32.9 -0.2 106 161 A I H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 5,-0.2 0.893 106.6 57.1 -64.0 -42.3 -12.1 33.6 -3.2 107 162 A I H X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.926 107.4 51.8 -54.2 -41.6 -14.3 36.3 -4.6 108 163 A G H < S+ 0 0 48 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.875 107.4 50.7 -61.0 -41.0 -13.9 38.0 -1.2 109 164 A Q H < S+ 0 0 108 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 121.7 31.4 -70.2 -27.7 -10.1 37.8 -1.3 110 165 A V H >< S+ 0 0 9 -4,-1.7 3,-2.4 -3,-0.3 -1,-0.2 0.489 87.8 100.2-108.4 -7.9 -9.8 39.4 -4.8 111 166 A R G >< S+ 0 0 51 -4,-1.5 3,-1.2 1,-0.3 9,-0.1 0.807 79.5 57.8 -52.6 -32.8 -12.8 41.7 -4.8 112 167 A D G 3 S+ 0 0 125 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.646 92.8 69.2 -75.4 -15.0 -10.7 44.7 -4.1 113 168 A Q G < S+ 0 0 119 -3,-2.4 2,-0.3 2,-0.0 -1,-0.3 0.377 101.6 44.0 -88.0 2.9 -8.5 44.2 -7.2 114 169 A A < - 0 0 20 -3,-1.2 6,-0.0 -4,-0.2 -1,-0.0 -0.996 65.7-140.2-145.5 149.7 -11.3 45.1 -9.7 115 170 A E S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.954 88.8 61.8 -65.0 -51.8 -14.0 47.7 -10.1 116 171 A H S > S- 0 0 90 1,-0.1 4,-1.8 4,-0.0 3,-0.5 -0.583 72.8-141.9 -90.1 134.7 -16.6 45.3 -11.4 117 172 A L H > S+ 0 0 5 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.895 103.7 58.7 -52.7 -41.5 -18.0 42.3 -9.5 118 173 A K H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 103.6 51.0 -63.8 -35.1 -18.0 40.3 -12.7 119 174 A T H > S+ 0 0 60 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.939 110.5 49.3 -61.8 -48.0 -14.2 40.8 -13.1 120 175 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.906 109.5 53.3 -59.1 -40.8 -13.8 39.6 -9.6 121 176 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.941 109.5 46.8 -60.5 -46.0 -16.0 36.6 -10.3 122 177 A Q H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.888 110.7 52.5 -69.0 -34.7 -13.9 35.6 -13.4 123 178 A M H X S+ 0 0 61 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.947 110.9 48.3 -59.7 -44.9 -10.7 36.0 -11.4 124 179 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.875 109.0 52.6 -65.9 -36.6 -12.1 33.7 -8.7 125 180 A V H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -96,-0.2 0.932 110.6 47.7 -62.5 -47.7 -13.2 31.2 -11.3 126 181 A F H X S+ 0 0 131 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.962 113.4 47.8 -53.7 -55.7 -9.6 31.1 -12.8 127 182 A I H X S+ 0 0 63 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.936 114.3 46.8 -53.2 -50.6 -8.1 30.7 -9.3 128 183 A H H < S+ 0 0 14 -4,-2.7 9,-0.5 1,-0.2 3,-0.4 0.901 111.0 50.0 -61.2 -45.9 -10.5 27.9 -8.3 129 184 A N H < S+ 0 0 14 -4,-2.7 9,-2.7 1,-0.2 10,-0.4 0.841 117.2 39.7 -66.3 -32.2 -10.1 25.9 -11.5 130 185 A K H < S+ 0 0 132 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.547 84.2 124.5 -93.7 -7.0 -6.3 25.9 -11.4 131 186 A K < - 0 0 103 -4,-1.1 2,-0.8 -3,-0.4 6,-0.4 -0.344 55.1-142.2 -60.1 120.0 -5.9 25.4 -7.6 132 187 A R 0 0 156 -2,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.781 360.0 360.0 -86.5 112.3 -3.8 22.4 -6.8 133 188 A K 0 0 192 2,-1.0 -1,-0.1 -2,-0.8 3,-0.1 0.009 360.0 360.0 -58.2 360.0 -5.2 20.5 -3.8 134 ! 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 0.0 135 194 A Y 0 0 139 0, 0.0 -2,-1.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.1 -4.6 17.9 -9.1 136 195 A S > - 0 0 7 -4,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.530 360.0-118.4 -89.3 156.7 -6.8 20.9 -10.1 137 196 A A H > S+ 0 0 3 -9,-0.5 4,-2.6 -6,-0.4 -109,-0.3 0.931 119.5 56.5 -50.8 -46.9 -10.5 20.8 -11.0 138 197 A G H > S+ 0 0 19 -9,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.875 111.1 41.4 -54.6 -42.1 -9.4 22.0 -14.4 139 198 A E H > S+ 0 0 63 -10,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.858 112.5 55.1 -73.5 -37.6 -7.1 19.0 -14.8 140 199 A R H X S+ 0 0 81 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.878 105.4 51.2 -64.0 -39.9 -9.7 16.6 -13.3 141 200 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.933 109.9 48.6 -68.7 -43.8 -12.5 17.5 -15.8 142 201 A V H X S+ 0 0 88 -4,-1.2 4,-2.6 -5,-0.2 5,-0.2 0.927 111.7 51.3 -56.8 -45.4 -10.2 17.0 -18.8 143 202 A D H X S+ 0 0 99 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.961 111.9 45.9 -56.9 -54.2 -9.2 13.6 -17.4 144 203 A I H X S+ 0 0 45 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.937 116.2 44.4 -54.0 -52.1 -12.8 12.5 -16.9 145 204 A I H >< S+ 0 0 50 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.862 114.4 50.5 -65.1 -34.9 -13.9 13.6 -20.3 146 205 A A H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 93.9 68.8 -70.6 -42.4 -10.9 12.2 -22.0 147 206 A T H 3< 0 0 110 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.731 360.0 360.0 -52.7 -23.2 -11.3 8.7 -20.4 148 207 A D << 0 0 179 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 -0.506 360.0 360.0 94.2 360.0 -14.3 8.9 -22.7