==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 07-FEB-00 1EFA . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.E.BELL,M.LEWIS . 944 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 701 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 83 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 3.5 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 5 0 2 0 3 0 4 7 3 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 7 11 3 1 2 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 5 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 2 A K 0 0 117 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.1 8.2 105.1 -3.3 2 3 A P - 0 0 86 0, 0.0 44,-0.1 0, 0.0 2,-0.0 0.108 360.0 -69.8 -42.4 156.5 7.2 101.4 -3.2 3 4 A V - 0 0 40 42,-0.2 44,-0.3 41,-0.2 2,-0.1 -0.298 56.6-148.5 -57.2 128.3 6.3 99.7 -6.5 4 5 A T > - 0 0 67 -3,-0.2 4,-0.9 1,-0.1 5,-0.1 -0.357 27.9-110.2 -92.3 173.2 3.0 101.0 -7.8 5 6 A L H > S+ 0 0 37 1,-0.2 4,-0.9 2,-0.2 14,-0.2 0.726 123.2 59.6 -72.9 -21.7 0.3 99.2 -9.9 6 7 A Y H > S+ 0 0 145 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.889 96.2 57.9 -70.9 -43.2 1.5 101.5 -12.6 7 8 A D H > S+ 0 0 58 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.826 107.4 47.6 -57.9 -34.9 5.1 100.1 -12.4 8 9 A V H < S+ 0 0 0 -4,-0.9 6,-0.4 1,-0.2 -1,-0.3 0.784 100.5 69.8 -76.6 -27.8 3.8 96.6 -13.2 9 10 A A H <>S+ 0 0 12 -4,-0.9 5,-2.3 -3,-0.3 3,-0.5 0.907 110.4 29.3 -55.5 -48.1 1.7 98.1 -16.0 10 11 A E H <5S+ 0 0 160 -4,-1.2 3,-0.3 3,-0.2 -1,-0.2 0.810 113.8 61.8 -83.4 -33.2 4.8 98.8 -18.2 11 12 A Y T <5S+ 0 0 144 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.213 120.0 30.2 -78.1 17.2 6.9 96.0 -16.8 12 13 A A T 5S- 0 0 38 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.291 110.3-115.7-149.8 -7.7 4.2 93.7 -18.2 13 14 A G T 5S+ 0 0 71 -3,-0.3 -3,-0.2 -4,-0.3 2,-0.2 0.669 79.9 102.5 74.4 17.6 3.0 95.8 -21.2 14 15 A V S - 0 0 54 -2,-0.2 4,-1.7 -3,-0.1 5,-0.2 -0.485 38.1-101.4-101.8 174.7 -2.6 98.9 -18.1 16 17 A Y H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.826 123.6 51.9 -65.5 -29.9 -3.2 99.6 -14.4 17 18 A Q H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 102.5 57.0 -74.2 -39.8 -6.6 98.0 -14.7 18 19 A T H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.955 111.3 43.9 -54.3 -52.0 -5.3 94.8 -16.3 19 20 A V H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.915 109.3 58.2 -58.7 -45.6 -3.0 94.3 -13.3 20 21 A S H X S+ 0 0 30 -4,-1.8 4,-2.7 1,-0.2 6,-0.2 0.926 105.6 48.8 -50.8 -51.2 -5.9 95.2 -11.0 21 22 A R H <>S+ 0 0 101 -4,-2.7 5,-3.5 1,-0.2 4,-0.3 0.959 112.2 48.9 -53.4 -54.6 -8.0 92.3 -12.4 22 23 A V H ><5S+ 0 0 32 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.916 112.3 47.5 -51.4 -51.1 -5.1 90.0 -11.9 23 24 A V H 3<5S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 115.0 45.8 -60.9 -39.5 -4.5 91.1 -8.3 24 25 A N T 3<5S- 0 0 85 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.308 112.2-118.8 -86.8 9.5 -8.2 90.8 -7.5 25 26 A Q T < 5 - 0 0 67 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.887 53.5-174.0 53.7 38.3 -8.4 87.4 -9.3 26 27 A A < - 0 0 47 -5,-3.5 2,-0.5 -6,-0.2 3,-0.2 0.121 24.9-105.1 -58.1 173.9 -10.9 89.1 -11.6 27 28 A S S S+ 0 0 77 1,-0.2 -1,-0.1 -3,-0.0 -5,-0.0 -0.910 92.9 38.6-108.3 129.7 -13.0 87.5 -14.3 28 29 A H S S+ 0 0 69 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.886 70.3 162.2 97.0 65.0 -12.1 88.1 -18.0 29 30 A V - 0 0 63 -3,-0.2 2,-1.0 -8,-0.1 -1,-0.1 -0.765 55.4-103.7-111.2 159.1 -8.3 88.0 -18.2 30 31 A S > - 0 0 65 -2,-0.3 3,-2.5 1,-0.2 2,-1.3 0.063 47.9-136.0 -70.8 31.1 -6.1 87.5 -21.3 31 32 A A T 3> S+ 0 0 63 -2,-1.0 4,-0.9 1,-0.3 3,-0.5 -0.266 101.1 30.3 52.2 -87.8 -5.5 83.9 -20.0 32 33 A K H 3> S+ 0 0 66 -2,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.736 111.7 72.8 -68.0 -22.1 -1.8 83.9 -20.7 33 34 A T H <> S+ 0 0 35 -3,-2.5 4,-2.6 1,-0.2 3,-0.3 0.930 95.1 48.8 -57.3 -48.4 -1.9 87.6 -20.1 34 35 A R H > S+ 0 0 17 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.862 105.7 58.7 -60.3 -37.0 -2.4 87.0 -16.3 35 36 A E H X S+ 0 0 43 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.895 110.2 43.0 -59.4 -40.5 0.6 84.6 -16.4 36 37 A K H X S+ 0 0 42 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.925 113.6 50.3 -71.4 -47.3 2.8 87.4 -17.7 37 38 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.942 108.9 50.8 -56.8 -52.7 1.4 90.0 -15.3 38 39 A E H X S+ 0 0 112 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.886 110.0 50.7 -54.1 -41.4 1.9 87.9 -12.2 39 40 A A H X S+ 0 0 50 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.3 0.872 108.8 53.5 -64.6 -35.3 5.5 87.2 -13.3 40 41 A A H X S+ 0 0 7 -4,-1.9 4,-0.6 -3,-0.3 -2,-0.2 0.897 112.9 40.8 -65.8 -43.6 5.9 91.0 -13.7 41 42 A M H X>S+ 0 0 31 -4,-2.2 5,-2.0 2,-0.2 4,-0.7 0.792 111.7 58.8 -74.9 -29.5 4.7 91.8 -10.1 42 43 A A H ><5S+ 0 0 63 -4,-2.1 3,-0.6 -5,-0.3 -2,-0.2 0.917 105.8 47.2 -65.4 -44.3 6.6 88.8 -8.8 43 44 A E H 3<5S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.680 117.4 43.1 -72.0 -18.9 9.9 90.1 -10.1 44 45 A L H 3<5S- 0 0 48 -4,-0.6 -1,-0.2 -5,-0.1 -41,-0.2 0.432 109.2-123.6-103.9 -3.4 9.2 93.5 -8.6 45 46 A N T <<5 - 0 0 72 -4,-0.7 2,-0.4 -3,-0.6 -42,-0.2 0.992 37.5-164.3 56.4 67.9 7.8 92.2 -5.3 46 47 A Y < - 0 0 33 -5,-2.0 -1,-0.2 -44,-0.1 -42,-0.1 -0.723 17.1-178.6 -91.1 130.2 4.5 93.9 -5.6 47 48 A I - 0 0 14 -2,-0.4 3,-0.0 -44,-0.3 394,-0.0 -0.933 32.6-119.5-129.9 106.1 2.2 94.2 -2.6 48 49 A P - 0 0 15 0, 0.0 2,-1.6 0, 0.0 3,-0.1 -0.172 25.8-120.3 -47.0 119.8 -1.2 96.0 -3.2 49 50 A N >> - 0 0 45 1,-0.2 4,-1.9 396,-0.1 3,-1.4 -0.467 25.9-165.9 -67.1 88.9 -1.4 99.1 -1.0 50 51 A R H 3> S+ 0 0 82 -2,-1.6 4,-2.4 394,-1.0 5,-0.2 0.772 84.0 65.1 -47.6 -31.6 -4.5 98.1 1.0 51 52 A V H 3> S+ 0 0 9 393,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.933 107.7 39.9 -59.4 -44.8 -4.9 101.7 2.1 52 53 A A H <> S+ 0 0 32 -3,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.875 111.8 57.2 -71.1 -39.4 -5.5 102.7 -1.5 53 54 A Q H <>S+ 0 0 35 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.897 108.4 46.6 -59.0 -42.8 -7.7 99.7 -2.2 54 55 A Q H ><5S+ 0 0 63 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.949 113.6 47.0 -65.9 -49.1 -10.1 100.5 0.7 55 56 A L H 3<5S+ 0 0 79 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.906 105.1 61.2 -58.8 -43.2 -10.4 104.2 -0.3 56 57 A A T 3<5S- 0 0 90 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.577 128.0 -97.4 -61.6 -10.2 -10.9 103.3 -3.9 57 58 A G T < 5 + 0 0 53 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.432 62.5 164.4 109.3 -1.4 -14.1 101.4 -2.8 58 59 A K < - 0 0 75 -5,-2.3 2,-1.4 -6,-0.2 -1,-0.3 -0.329 42.0-127.2 -54.4 112.0 -12.8 97.8 -2.5 59 60 A Q + 0 0 188 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 -0.481 45.1 161.3 -68.4 93.3 -15.6 96.2 -0.5 60 61 A S - 0 0 38 -2,-1.4 2,-0.9 -6,-0.1 59,-0.1 -0.955 41.7-129.4-120.2 110.6 -13.6 94.6 2.3 61 62 A L - 0 0 62 -2,-0.6 31,-1.8 29,-0.2 2,-0.7 -0.438 31.4-172.6 -61.4 100.0 -15.5 93.6 5.4 62 63 A L E -a 92 0A 17 -2,-0.9 57,-2.6 55,-0.2 58,-0.8 -0.866 7.1-156.4-105.3 105.8 -13.3 95.2 8.1 63 64 A I E -ab 93 120A 0 29,-2.6 31,-2.2 -2,-0.7 2,-0.3 -0.644 3.6-152.9 -83.5 129.1 -14.4 94.4 11.7 64 65 A G E -ab 94 121A 0 56,-3.0 58,-1.6 -2,-0.4 2,-0.4 -0.753 8.2-162.0-100.1 148.8 -13.4 96.7 14.5 65 66 A V E -ab 95 122A 1 29,-1.4 31,-3.6 -2,-0.3 2,-0.6 -0.953 12.3-169.4-138.9 119.3 -13.0 95.5 18.1 66 67 A A E +ab 96 123A 0 56,-2.1 58,-3.4 -2,-0.4 2,-0.3 -0.925 30.9 169.6-102.3 121.8 -13.0 97.5 21.3 67 68 A T E -ab 97 124A 0 29,-2.2 31,-3.3 -2,-0.6 58,-0.2 -0.904 38.7-105.3-138.0 162.5 -11.8 95.2 24.1 68 69 A S S S- 0 0 19 56,-1.5 31,-0.1 -2,-0.3 4,-0.1 -0.328 74.9 -54.4 -72.6 166.7 -10.6 95.0 27.7 69 70 A S > - 0 0 25 29,-0.5 3,-1.7 1,-0.2 7,-0.3 -0.112 43.0-138.9 -47.1 133.4 -6.9 94.4 28.2 70 71 A L T 3 S+ 0 0 2 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.559 97.2 81.5 -72.9 -6.2 -5.6 91.4 26.3 71 72 A A T 3 S+ 0 0 35 335,-0.1 2,-0.3 337,-0.1 -1,-0.3 0.609 79.2 85.6 -73.1 -9.5 -3.5 90.7 29.4 72 73 A L S <> S- 0 0 78 -3,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.741 85.2-125.0 -95.1 143.6 -6.7 89.2 30.8 73 74 A H H > S+ 0 0 57 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.933 100.8 39.3 -49.9 -71.2 -7.6 85.6 30.0 74 75 A A H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 114.9 52.6 -52.0 -47.7 -11.1 85.6 28.5 75 76 A P H > S+ 0 0 13 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.946 111.1 47.1 -55.7 -47.6 -10.5 88.8 26.4 76 77 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 -7,-0.3 -2,-0.2 0.929 112.8 49.4 -61.1 -43.1 -7.3 87.3 24.9 77 78 A Q H X S+ 0 0 39 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 113.8 47.4 -61.3 -39.7 -9.1 84.0 24.2 78 79 A I H X S+ 0 0 8 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.938 110.1 48.2 -69.6 -50.1 -12.0 85.9 22.5 79 80 A V H X S+ 0 0 3 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.933 111.3 55.0 -56.0 -41.8 -9.9 88.2 20.3 80 81 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.941 109.5 43.9 -56.3 -52.0 -8.0 85.1 19.2 81 82 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.813 114.1 53.7 -64.9 -27.2 -11.2 83.3 18.2 82 83 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.981 111.4 41.5 -70.0 -57.6 -12.4 86.5 16.5 83 84 A K H X S+ 0 0 7 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.906 115.8 53.4 -56.0 -41.7 -9.2 87.0 14.4 84 85 A S H X S+ 0 0 11 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.975 112.8 40.7 -57.8 -57.6 -9.2 83.3 13.6 85 86 A R H X S+ 0 0 49 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.850 114.5 53.4 -61.9 -34.4 -12.8 83.2 12.4 86 87 A A H ><>S+ 0 0 0 -4,-2.8 5,-3.7 2,-0.2 3,-0.7 0.878 107.6 50.2 -68.5 -37.7 -12.4 86.5 10.5 87 88 A D H ><5S+ 0 0 84 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.906 107.8 55.4 -64.6 -39.4 -9.3 85.2 8.7 88 89 A Q H 3<5S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.663 110.6 44.4 -67.1 -17.3 -11.3 82.1 7.8 89 90 A L T <<5S- 0 0 66 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.254 116.9-110.0-109.7 9.2 -14.0 84.3 6.2 90 91 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.772 74.8 140.2 68.3 23.7 -11.6 86.6 4.4 91 92 A A < - 0 0 4 -5,-3.7 -1,-0.3 -6,-0.2 2,-0.2 -0.785 47.1-133.3-101.9 145.8 -12.5 89.4 6.8 92 93 A S E -a 62 0A 50 -31,-1.8 -29,-2.6 -2,-0.3 2,-0.4 -0.616 16.8-156.1 -94.9 155.6 -10.0 91.8 8.2 93 94 A V E +a 63 0A 12 -2,-0.2 2,-0.4 -31,-0.2 331,-0.3 -0.953 14.0 180.0-141.1 122.2 -9.8 92.8 11.9 94 95 A V E -a 64 0A 10 -31,-2.2 -29,-1.4 -2,-0.4 2,-0.4 -0.931 17.8-158.1-114.0 139.8 -8.4 95.9 13.7 95 96 A V E -a 65 0A 11 -2,-0.4 2,-0.6 327,-0.3 -29,-0.2 -0.974 12.2-158.1-128.8 134.9 -8.7 96.0 17.5 96 97 A S E -a 66 0A 17 -31,-3.6 -29,-2.2 -2,-0.4 2,-0.5 -0.923 17.4-147.9-108.5 118.1 -8.6 98.9 19.9 97 98 A M E -a 67 0A 9 -2,-0.6 2,-0.6 -31,-0.2 -29,-0.2 -0.726 5.6-153.1 -89.5 129.0 -7.5 97.9 23.4 98 99 A V + 0 0 8 -31,-3.3 -29,-0.5 -2,-0.5 8,-0.1 -0.900 26.7 158.5-103.6 119.9 -9.1 99.9 26.2 99 100 A E + 0 0 89 -2,-0.6 -1,-0.2 -31,-0.1 -30,-0.1 0.802 51.3 81.7-105.5 -46.1 -7.0 100.0 29.4 100 101 A R S S- 0 0 165 1,-0.1 2,-0.4 5,-0.1 6,-0.0 -0.343 85.7-118.5 -60.7 141.1 -8.3 103.1 31.2 101 102 A S + 0 0 114 4,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.684 69.3 66.2 -83.8 135.6 -11.5 102.3 33.2 102 103 A G S > S- 0 0 29 -2,-0.4 4,-1.4 1,-0.1 5,-0.1 -0.559 84.4 -92.7 136.0 159.8 -14.5 104.3 32.0 103 104 A V H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.764 118.7 59.5 -75.1 -29.5 -17.0 104.9 29.3 104 105 A E H > S+ 0 0 134 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.929 104.6 50.6 -64.8 -43.5 -14.9 107.8 27.9 105 106 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 112.2 46.5 -58.9 -45.7 -12.0 105.4 27.3 106 107 A C H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.832 112.3 50.7 -67.4 -32.2 -14.4 103.0 25.5 107 108 A K H X S+ 0 0 76 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.920 107.6 52.8 -70.7 -42.1 -15.8 105.8 23.5 108 109 A T H X S+ 0 0 58 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.926 110.2 49.8 -55.7 -46.0 -12.3 107.0 22.6 109 110 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 110.8 47.6 -60.0 -43.9 -11.7 103.4 21.4 110 111 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.862 107.2 59.1 -67.3 -33.1 -14.9 103.4 19.3 111 112 A H H X S+ 0 0 85 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.958 108.4 42.8 -58.7 -53.8 -13.9 106.7 17.9 112 113 A N H X S+ 0 0 49 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.898 111.5 53.8 -60.5 -44.4 -10.6 105.4 16.4 113 114 A L H <>S+ 0 0 0 -4,-2.0 5,-1.1 1,-0.2 -1,-0.2 0.884 110.4 48.9 -58.7 -36.0 -12.2 102.2 15.2 114 115 A L H ><5S+ 0 0 15 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.906 104.1 59.0 -69.7 -40.9 -14.7 104.5 13.4 115 116 A A H 3<5S+ 0 0 0 -4,-2.3 264,-0.9 1,-0.3 265,-0.6 0.825 100.2 56.9 -57.2 -32.7 -11.9 106.6 12.0 116 117 A Q T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 263,-0.2 -2,-0.2 0.294 115.3-122.3 -82.8 11.8 -10.6 103.4 10.3 117 118 A R T < 5 - 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