==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 08-APR-04 1VF5 . COMPND 2 MOLECULE: CYTOCHROME B6; . SOURCE 2 ORGANISM_SCIENTIFIC: MASTIGOCLADUS LAMINOSUS; . AUTHOR G.KURISU,H.ZHANG,J.L.SMITH,W.A.CRAMER . 1824 16 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 89788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1103 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 1 0.1 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 . 129 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 591 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.4 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 5 0 3 4 1 2 3 2 2 0 2 2 0 2 2 2 3 1 2 2 2 0 2 1 1 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 14 11 4 0 2 1 0 0 2 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 . 4 1 2 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 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 13 A E 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.2 60.5 26.2 105.8 2 14 A I + 0 0 98 2,-0.1 0, 0.0 3,-0.1 0, 0.0 0.781 360.0 117.7 -86.5-103.1 63.5 27.6 107.6 3 15 A Q S S- 0 0 68 1,-0.3 1110,-0.0 2,-0.1 1018,-0.0 0.875 118.3 -8.8 29.6 78.6 65.8 25.5 109.9 4 16 A A S >> S+ 0 0 38 1108,-0.1 3,-0.8 1,-0.0 4,-0.5 0.757 96.8 139.9 77.9 25.2 68.8 25.9 107.7 5 17 A L H 3> + 0 0 65 1,-0.2 4,-0.5 2,-0.1 -2,-0.1 0.723 43.1 97.4 -71.0 -19.1 66.6 27.6 105.0 6 18 A A H 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.588 90.0 32.1 -45.3 -24.6 69.5 30.0 104.5 7 19 A D H X4 S+ 0 0 95 -3,-0.8 3,-3.5 2,-0.1 -1,-0.2 0.786 89.3 94.8-102.3 -41.1 71.0 28.1 101.4 8 20 A D H 3< S+ 0 0 80 -4,-0.5 -2,-0.1 1,-0.3 -3,-0.1 0.653 73.9 67.8 -16.5 -60.8 67.9 26.6 99.7 9 21 A V T 3< S+ 0 0 113 -4,-0.5 2,-2.1 1,-0.2 -1,-0.3 0.591 74.8 97.5 -46.9 -12.9 67.5 29.5 97.2 10 22 A T < + 0 0 67 -3,-3.5 -1,-0.2 1,-0.1 -3,-0.0 -0.610 62.8 103.0 -76.4 79.1 70.7 28.1 95.8 11 23 A S + 0 0 68 -2,-2.1 2,-3.5 2,-0.1 3,-0.2 0.527 59.8 40.9-124.3 -88.1 68.8 26.2 93.1 12 24 A K S S+ 0 0 108 1,-0.2 208,-0.3 -3,-0.2 -2,-0.1 -0.171 75.8 172.3 -67.9 44.8 68.2 26.9 89.4 13 25 A Y - 0 0 165 -2,-3.5 -1,-0.2 1,-0.1 207,-0.1 0.771 39.5 -27.0 -21.2 -92.7 71.9 28.0 89.3 14 26 A V - 0 0 83 -3,-0.2 -1,-0.1 205,-0.1 200,-0.0 -0.999 53.5-109.0-152.3 152.6 72.9 28.6 85.6 15 27 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 203,-0.2 0.562 25.0-108.7 -51.4-174.6 72.5 27.8 81.7 16 28 A P - 0 0 28 0, 0.0 201,-0.7 0, 0.0 3,-0.1 -0.982 10.3-158.1-129.8 141.3 74.2 26.0 78.7 17 29 A H S S- 0 0 45 -2,-0.3 2,-0.3 1,-0.3 198,-0.1 0.936 75.9 -15.0 -87.2 -54.0 75.9 27.5 75.6 18 30 A V S S+ 0 0 44 181,-0.0 -1,-0.3 4,-0.0 806,-0.0 -0.905 83.7 133.2-153.8 124.1 75.9 24.7 72.8 19 31 A N + 0 0 74 -2,-0.3 2,-1.3 -3,-0.1 4,-0.1 0.092 19.4 129.6-132.8-126.1 75.2 20.9 73.6 20 32 A I S > S+ 0 0 105 1,-0.2 3,-1.3 2,-0.1 4,-0.1 -0.497 93.6 53.6 82.8 -63.3 73.5 17.5 72.8 21 33 A F G > S+ 0 0 45 -2,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.533 91.7 85.3 -73.2 -2.0 76.5 15.0 72.7 22 34 A Y G 3 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.288 70.2 74.6 -81.5 12.9 76.9 16.7 76.0 23 35 A C G <> + 0 0 42 -3,-1.3 4,-2.0 1,-0.1 3,-0.2 0.546 67.9 89.5 -98.3 -12.0 74.4 14.1 77.4 24 36 A L H <> S+ 0 0 14 -3,-1.2 4,-2.8 1,-0.2 5,-0.3 0.861 81.1 59.6 -51.0 -43.6 76.9 11.3 77.3 25 37 A G H > S+ 0 0 26 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.924 110.6 38.4 -53.6 -53.6 78.0 12.1 80.9 26 38 A G H > S+ 0 0 38 -4,-0.3 4,-2.8 -3,-0.2 -1,-0.2 0.801 113.2 57.7 -69.9 -31.1 74.6 11.6 82.4 27 39 A I H X S+ 0 0 20 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.991 107.9 45.8 -60.2 -62.1 73.8 8.6 80.2 28 40 A T H X S+ 0 0 13 -4,-2.8 4,-1.2 1,-0.3 -1,-0.2 0.887 114.2 50.5 -46.8 -43.7 76.9 6.8 81.4 29 41 A L H X S+ 0 0 43 -4,-1.7 4,-2.5 -5,-0.3 3,-0.4 0.924 108.9 51.4 -60.4 -46.8 75.9 7.8 84.9 30 42 A T H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.905 105.2 54.7 -55.7 -49.1 72.4 6.5 84.3 31 43 A C H X S+ 0 0 1 -4,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.805 110.2 49.9 -56.7 -30.1 73.7 3.2 83.1 32 44 A F H >X S+ 0 0 23 -4,-1.2 4,-2.5 -3,-0.4 3,-0.6 0.943 106.3 51.0 -73.5 -50.7 75.5 3.1 86.4 33 45 A L H 3X S+ 0 0 104 -4,-2.5 4,-1.7 1,-0.3 -2,-0.2 0.869 109.9 53.5 -53.6 -36.0 72.5 3.9 88.5 34 46 A I H 3X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.842 109.3 48.7 -66.7 -34.8 70.8 1.0 86.6 35 47 A Q H X S+ 0 0 16 -4,-2.4 3,-1.1 -5,-0.3 4,-0.6 0.971 110.0 45.8 -66.7 -55.2 73.2 -5.4 90.8 40 52 A F H >< S+ 0 0 44 -4,-2.1 3,-3.4 -5,-0.3 4,-0.4 0.960 106.8 60.6 -49.3 -54.9 72.1 -5.0 94.4 41 53 A A H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 -1,-0.3 0.765 102.1 54.3 -44.5 -32.5 68.9 -6.9 93.5 42 54 A M H XX S+ 0 0 28 -3,-1.1 4,-2.1 -4,-1.0 3,-1.1 0.604 88.9 73.7 -82.4 -11.7 71.0 -9.9 92.6 43 55 A T T << S+ 0 0 8 -3,-3.4 1047,-0.3 -4,-0.6 -1,-0.2 0.552 89.5 64.5 -76.7 -5.2 72.8 -9.9 96.0 44 56 A F T <4 S+ 0 0 27 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.606 119.8 18.5 -89.9 -14.7 69.6 -11.3 97.3 45 57 A Y T <4 S+ 0 0 11 -3,-1.1 2,-0.4 -4,-0.1 -2,-0.2 0.429 101.4 98.6-133.4 -4.5 69.9 -14.4 95.3 46 58 A Y < - 0 0 16 -4,-2.1 7,-0.1 1040,-0.1 8,-0.1 -0.722 53.4-157.7 -90.0 138.5 73.6 -14.6 94.2 47 59 A K - 0 0 25 -2,-0.4 2,-2.4 5,-0.3 9,-0.2 -0.925 10.5-146.0-119.2 108.4 76.0 -16.9 96.2 48 60 A P + 0 0 10 0, 0.0 2,-0.3 0, 0.0 918,-0.1 -0.382 62.3 106.0 -72.6 72.3 79.7 -16.1 96.1 49 61 A T S > S- 0 0 0 -2,-2.4 4,-3.5 1,-0.1 5,-0.2 -0.963 74.6-126.9-155.5 129.9 80.9 -19.7 96.3 50 62 A V T 4 S+ 0 0 30 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.833 111.9 46.8 -39.8 -45.7 82.4 -22.1 93.8 51 63 A T T 4 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.945 126.7 23.7 -66.7 -53.1 79.8 -24.7 94.7 52 64 A E T > S+ 0 0 53 1,-0.1 4,-2.6 2,-0.1 -5,-0.3 0.569 99.6 89.1 -95.1 -7.9 76.7 -22.5 94.6 53 65 A A H X S+ 0 0 0 -4,-3.5 4,-1.4 1,-0.2 -6,-0.3 0.953 92.8 39.1 -53.1 -63.2 77.8 -19.7 92.3 54 66 A Y H > S+ 0 0 49 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.880 116.8 51.4 -56.1 -44.4 76.7 -21.2 89.0 55 67 A A H > S+ 0 0 48 -4,-0.4 4,-2.3 1,-0.2 3,-0.3 0.905 103.9 55.8 -63.3 -46.1 73.5 -22.7 90.4 56 68 A S H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.886 103.7 56.9 -56.7 -37.6 72.2 -19.4 92.0 57 69 A V H X S+ 0 0 11 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.901 108.7 44.2 -61.0 -43.2 72.5 -17.7 88.6 58 70 A Q H X S+ 0 0 76 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.869 109.2 59.2 -67.5 -35.6 70.2 -20.2 86.9 59 71 A Y H <>S+ 0 0 62 -4,-2.3 5,-0.9 1,-0.2 -2,-0.2 0.881 105.9 47.9 -58.1 -40.1 68.0 -19.9 90.0 60 72 A I H X5S+ 0 0 2 -4,-2.0 8,-0.5 3,-0.2 3,-0.5 0.918 112.2 49.9 -67.8 -43.2 67.7 -16.2 89.2 61 73 A M H <5S+ 0 0 11 -4,-1.9 7,-1.0 6,-0.3 2,-0.6 0.989 125.4 21.3 -59.8 -62.1 66.9 -16.8 85.6 62 74 A N T <5S+ 0 0 44 -4,-2.7 -1,-0.2 5,-0.1 -2,-0.1 -0.635 127.9 32.3-114.2 77.7 64.2 -19.4 86.1 63 75 A E T 45S+ 0 0 116 -2,-0.6 2,-0.3 1,-0.6 -3,-0.2 0.063 94.0 82.5 175.0 -39.5 62.6 -19.2 89.6 64 76 A V S ><> S+ 0 0 54 -2,-1.1 4,-2.8 -5,-0.2 3,-1.4 0.521 90.7 137.5 85.8 9.4 61.9 -11.4 86.7 67 79 A G H <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.3 5,-0.4 0.950 73.4 55.4 -49.4 -48.9 65.3 -12.7 87.7 68 80 A W H 3> S+ 0 0 32 -7,-1.0 4,-1.5 -8,-0.5 178,-0.5 0.792 112.2 44.4 -52.6 -30.6 65.9 -13.3 84.0 69 81 A L H <> S+ 0 0 18 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.877 110.2 50.2 -83.7 -44.4 65.1 -9.6 83.4 70 82 A I H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.935 117.7 43.0 -61.2 -43.1 67.0 -8.1 86.3 71 83 A R H X S+ 0 0 35 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.941 111.1 53.3 -68.4 -46.6 70.0 -10.0 85.2 72 84 A S H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 -2,-0.2 0.883 111.0 47.2 -56.0 -42.6 69.5 -9.3 81.5 73 85 A I H X S+ 0 0 4 -4,-2.5 4,-3.3 2,-0.2 5,-0.5 0.959 109.3 53.6 -62.5 -51.5 69.4 -5.6 82.1 74 86 A H H X S+ 0 0 33 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.876 109.0 50.1 -50.6 -42.5 72.5 -5.7 84.3 75 87 A R H X S+ 0 0 84 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.889 119.2 36.0 -66.2 -39.9 74.4 -7.5 81.5 76 88 A W H X S+ 0 0 4 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.965 113.8 53.0 -76.9 -56.7 73.3 -4.9 78.9 77 89 A S H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -3,-0.2 0.807 108.5 55.9 -49.3 -33.1 73.4 -1.8 81.0 78 90 A A H X S+ 0 0 33 -4,-1.3 4,-2.0 -5,-0.5 3,-0.4 0.993 108.7 43.2 -63.6 -61.3 76.9 -2.8 81.9 79 91 A S H X S+ 0 0 12 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.732 115.8 53.6 -57.6 -20.6 78.1 -3.0 78.3 80 92 A M H X S+ 0 0 34 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.871 102.5 53.6 -82.3 -39.8 76.3 0.2 77.7 81 93 A M H X S+ 0 0 11 -4,-2.5 4,-2.5 -3,-0.4 -2,-0.2 0.945 113.9 43.6 -59.7 -47.0 77.9 2.2 80.5 82 94 A V H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.971 114.5 49.1 -63.1 -51.5 81.3 1.3 79.2 83 95 A L H X S+ 0 0 5 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.929 115.1 45.5 -52.9 -46.5 80.2 2.0 75.6 84 96 A M H X S+ 0 0 20 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.840 108.2 56.1 -66.0 -35.8 78.7 5.4 76.7 85 97 A M H X S+ 0 0 25 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.873 106.6 51.0 -66.2 -35.5 81.7 6.3 78.7 86 98 A I H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.955 110.6 48.0 -64.5 -48.7 83.9 5.8 75.7 87 99 A L H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.3 -2,-0.2 0.849 109.2 54.6 -59.4 -35.6 81.7 8.1 73.7 88 100 A H H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.851 104.2 54.0 -66.0 -35.4 81.8 10.6 76.5 89 101 A V H X S+ 0 0 59 -4,-1.7 4,-3.7 -3,-0.3 -2,-0.2 0.919 110.2 48.2 -63.7 -41.3 85.5 10.5 76.3 90 102 A F H X S+ 0 0 22 -4,-2.0 4,-1.6 2,-0.2 5,-0.5 0.993 110.1 49.6 -58.6 -66.2 85.1 11.4 72.6 91 103 A R H X S+ 0 0 35 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.920 118.1 41.6 -33.0 -70.0 82.7 14.2 73.3 92 104 A V H ><>S+ 0 0 16 -4,-2.5 5,-1.4 2,-0.2 3,-1.1 0.929 118.5 44.7 -46.9 -60.3 85.1 15.5 75.9 93 105 A Y H ><5S+ 0 0 22 -4,-3.7 3,-3.7 1,-0.3 5,-0.2 0.963 109.6 49.4 -51.1 -73.4 88.3 15.0 73.8 94 106 A L H 3<5S+ 0 0 26 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.594 116.3 49.3 -45.1 -11.4 87.3 16.2 70.4 95 107 A T T <<5S- 0 0 13 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.171 107.5-123.4-118.3 18.3 86.1 19.3 72.2 96 108 A G T < 5 + 0 0 5 -3,-3.7 3,-0.3 213,-0.3 103,-0.2 0.882 51.8 156.7 38.6 58.6 89.2 20.0 74.4 97 109 A G S S+ 0 0 15 -2,-0.4 4,-2.1 -3,-0.3 5,-0.1 0.558 75.9 61.4-120.9 -24.5 92.4 18.9 83.9 104 116 A L H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.830 99.9 56.4 -71.9 -32.2 91.7 17.4 87.3 105 117 A T H > S+ 0 0 18 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.843 109.2 49.0 -67.0 -30.0 88.2 16.6 86.2 106 118 A W H > S+ 0 0 27 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.908 110.9 46.8 -76.1 -44.6 89.8 14.7 83.3 107 119 A I H X S+ 0 0 43 -4,-2.1 4,-2.6 2,-0.3 -2,-0.2 0.950 110.8 49.8 -64.3 -49.2 92.3 12.7 85.4 108 120 A S H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.884 110.6 60.2 -54.8 -29.3 89.7 11.7 88.0 109 121 A G H X S+ 0 0 17 -4,-0.5 4,-1.8 -5,-0.3 -2,-0.3 0.985 100.5 45.8 -60.1 -63.8 88.1 10.9 84.7 110 122 A V H X S+ 0 0 17 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.868 112.8 55.6 -47.3 -38.2 90.7 8.3 83.4 111 123 A I H >X S+ 0 0 57 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.954 102.4 53.3 -59.9 -51.2 90.4 6.9 86.9 112 124 A L H 3X S+ 0 0 20 -4,-2.6 4,-2.4 -3,-0.3 -1,-0.2 0.828 106.9 54.4 -52.6 -35.7 86.6 6.5 86.6 113 125 A A H 3X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -1,-0.3 0.870 107.1 48.8 -68.7 -37.3 87.3 4.5 83.4 114 126 A V H X S+ 0 0 13 -4,-2.2 3,-0.8 -3,-0.4 4,-0.6 0.908 119.1 48.1 -78.8 -43.1 85.2 -9.0 88.1 123 135 A G H >< S+ 0 0 20 -4,-2.8 3,-0.6 -5,-0.3 -2,-0.2 0.802 100.9 65.6 -66.3 -31.1 81.5 -9.3 87.4 124 136 A Y T 3< S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.780 105.2 45.4 -60.3 -30.6 82.1 -11.2 84.1 125 137 A S T X4 S+ 0 0 8 -3,-0.8 3,-1.5 -4,-0.5 -1,-0.2 0.607 89.3 87.9 -90.7 -15.2 83.6 -14.0 86.2 126 138 A L T << S+ 0 0 21 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.759 75.7 64.5 -58.3 -31.1 80.9 -14.2 88.8 127 139 A P T 3 S- 0 0 22 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.364 100.0-137.0 -77.0 15.0 78.6 -16.6 87.0 128 140 A W < + 0 0 49 -3,-1.5 124,-1.3 4,-0.1 -74,-0.2 0.760 52.8 147.2 31.8 42.0 81.5 -19.1 87.4 129 141 A D B > -A 251 0A 24 122,-0.2 4,-3.4 -4,-0.1 5,-0.3 -0.422 65.2-100.0 -92.0 171.4 81.0 -20.2 83.8 130 142 A Q H > S+ 0 0 19 120,-2.5 4,-3.5 2,-0.2 5,-0.4 0.948 122.9 47.5 -61.0 -49.2 83.8 -21.3 81.5 131 143 A V H > S+ 0 0 61 119,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.879 122.0 37.2 -59.2 -39.9 84.1 -17.9 79.7 132 144 A G H > S+ 0 0 0 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.773 120.1 47.2 -83.5 -28.3 84.0 -16.1 83.0 133 145 A Y H X S+ 0 0 5 -4,-3.4 4,-0.9 2,-0.2 -2,-0.2 0.783 118.2 40.2 -84.3 -26.2 86.1 -18.7 84.8 134 146 A W H X S+ 0 0 8 -4,-3.5 4,-1.9 -5,-0.3 -3,-0.2 0.689 109.3 59.5 -92.3 -19.0 88.7 -19.0 82.1 135 147 A A H X S+ 0 0 5 -4,-0.9 4,-1.5 -5,-0.4 -2,-0.2 0.825 110.1 43.6 -74.5 -32.1 88.8 -15.3 81.4 136 148 A V H X S+ 0 0 5 -4,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.844 109.6 57.0 -77.9 -36.1 89.8 -14.8 85.1 137 149 A K H X S+ 0 0 50 -4,-0.9 4,-0.6 1,-0.2 3,-0.2 0.928 111.6 43.9 -58.7 -42.6 92.2 -17.7 84.8 138 150 A I H < S+ 0 0 15 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.814 113.7 46.6 -73.4 -35.7 93.9 -15.9 81.9 139 151 A V H < S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.560 95.6 78.2 -86.1 -8.3 94.0 -12.3 83.4 140 152 A S H < S+ 0 0 10 -4,-1.2 4,-0.2 -3,-0.2 -1,-0.2 0.922 97.4 40.5 -66.9 -45.1 95.3 -13.5 86.7 141 153 A G S >< S+ 0 0 25 -4,-0.6 3,-3.2 1,-0.2 4,-0.4 0.751 87.9 94.5 -76.4 -23.5 98.9 -14.0 85.6 142 154 A V G > S+ 0 0 38 -4,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.803 88.4 46.6 -36.1 -45.5 99.0 -10.8 83.5 143 155 A P G 3 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 10,-0.2 0.672 87.4 86.1 -76.5 -15.0 100.5 -8.9 86.4 144 156 A E G < + 0 0 86 -3,-3.2 2,-1.2 1,-0.3 6,-0.2 0.572 61.9 95.3 -63.0 -4.5 103.1 -11.5 87.2 145 157 A A S < S+ 0 0 23 -3,-0.8 -1,-0.3 -4,-0.4 6,-0.1 -0.091 75.8 79.1 -77.9 39.2 105.3 -9.8 84.6 146 158 A I S > S- 0 0 68 -2,-1.2 4,-0.5 -3,-0.1 2,-0.3 -0.980 89.9 -91.2-146.6 153.5 106.9 -7.9 87.5 147 159 A P T 4 S- 0 0 97 0, 0.0 2,-7.9 0, 0.0 -2,-0.1 -0.547 84.7 -47.1 -71.8 125.1 109.5 -8.5 90.3 148 160 A V T > S+ 0 0 129 -2,-0.3 4,-0.8 1,-0.3 3,-0.1 0.055 148.0 56.3 45.3 -40.9 108.4 -9.9 93.7 149 161 A V H > S+ 0 0 76 -2,-7.9 4,-0.7 2,-0.2 -1,-0.3 0.411 96.4 63.6 -91.8 -4.3 105.7 -7.2 93.4 150 162 A G H X S+ 0 0 0 -4,-0.5 4,-0.7 -6,-0.2 -1,-0.2 0.658 113.7 32.3 -92.4 -18.4 104.6 -8.6 90.1 151 163 A V H > S+ 0 0 54 2,-0.2 4,-2.8 -7,-0.1 -2,-0.2 0.592 112.4 60.7-108.9 -20.5 103.5 -11.8 91.7 152 164 A L H X S+ 0 0 71 -4,-0.8 4,-2.0 2,-0.2 5,-0.2 0.928 105.9 51.8 -69.2 -43.4 102.5 -10.3 95.0 153 165 A I H >X S+ 0 0 74 -4,-0.7 4,-1.8 1,-0.2 3,-0.7 0.971 113.6 42.2 -52.7 -60.0 100.0 -8.3 93.0 154 166 A S H 3X S+ 0 0 1 -4,-0.7 4,-2.3 1,-0.3 5,-0.4 0.908 112.0 54.0 -55.2 -47.5 98.7 -11.4 91.4 155 167 A D H 3X S+ 0 0 48 -4,-2.8 4,-1.2 1,-0.2 -1,-0.3 0.807 109.8 49.5 -59.2 -28.8 98.7 -13.4 94.6 156 168 A L H << S+ 0 0 49 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.855 112.9 44.5 -80.3 -33.2 96.6 -10.6 96.2 157 169 A L H < S+ 0 0 101 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.818 121.3 36.5 -79.6 -32.4 94.0 -10.4 93.4 158 170 A R H < S- 0 0 8 -4,-2.3 6,-0.3 -5,-0.2 12,-0.2 0.781 110.5-107.1 -91.2 -34.4 93.4 -14.2 93.0 159 171 A G < - 0 0 21 -4,-1.2 2,-0.4 -5,-0.4 -4,-0.1 0.299 65.3 -66.9 122.2 -7.7 93.8 -15.5 96.5 160 172 A G S S+ 0 0 6 2,-0.3 -2,-0.1 -6,-0.3 -1,-0.1 -0.998 111.0 36.9 134.9-134.8 97.2 -17.2 96.4 161 173 A S S S- 0 0 68 -2,-0.4 -1,-0.2 1420,-0.2 1460,-0.1 0.690 118.8 -51.9 -12.6-100.7 98.3 -20.4 94.5 162 174 A S S S- 0 0 29 -4,-0.1 2,-0.8 -3,-0.1 -2,-0.3 0.138 100.9 -27.2-119.7-122.2 96.4 -20.0 91.2 163 175 A V S S+ 0 0 12 -4,-0.1 -4,-0.1 -2,-0.1 -2,-0.1 -0.660 72.1 156.4-106.9 81.0 92.6 -19.4 90.9 164 176 A G - 0 0 35 -2,-0.8 4,-0.4 -6,-0.3 -4,-0.1 0.253 62.6 -89.0 -78.9-153.0 90.7 -20.9 93.9 165 177 A Q S > S+ 0 0 73 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.529 124.4 73.4 -95.7 -11.7 87.3 -19.8 95.1 166 178 A A H > S+ 0 0 26 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.826 91.7 59.5 -66.0 -27.5 89.1 -17.2 97.2 167 179 A T H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 107.9 41.9 -61.6 -46.2 89.4 -15.7 93.8 168 180 A L H > S+ 0 0 6 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.819 113.8 53.4 -69.1 -34.1 85.6 -15.6 93.6 169 181 A T H X S+ 0 0 8 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.932 114.7 39.5 -66.9 -45.1 85.4 -14.4 97.2 170 182 A R H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.860 114.2 54.9 -72.6 -36.8 87.8 -11.5 96.5 171 183 A Y H X S+ 0 0 23 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.832 109.7 46.8 -65.7 -32.3 86.3 -10.8 93.1 172 184 A Y H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 5,-0.4 0.912 111.5 49.8 -76.4 -43.8 82.8 -10.6 94.7 173 185 A S H X>S+ 0 0 2 -4,-2.1 4,-2.4 787,-0.3 5,-1.9 0.945 113.8 47.7 -57.3 -45.6 84.0 -8.3 97.5 174 186 A A H <>S+ 0 0 21 -4,-2.5 5,-2.2 3,-0.2 -1,-0.2 0.892 115.5 44.0 -61.8 -41.9 85.7 -6.2 94.8 175 187 A H H <5S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.790 127.1 26.1 -77.1 -29.5 82.6 -6.1 92.6 176 188 A T H <5S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.532 135.9 19.4-113.3 -11.1 79.9 -5.4 95.2 177 189 A F T X5S+ 0 0 17 -4,-2.4 4,-1.2 -5,-0.4 -3,-0.2 0.655 124.6 35.1-120.2 -64.9 81.8 -3.6 98.0 178 190 A V H >> S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.888 108.1 48.6 -63.4 -33.8 81.1 0.6 94.1 181 193 A W H < S+ 0 0 94 -4,-2.0 3,-1.0 1,-0.1 -1,-0.2 0.884 114.6 48.6 -79.2 -41.6 80.8 16.0 89.6 192 204 A L H 3< S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.904 101.1 63.5 -66.0 -41.4 81.8 18.5 92.3 193 205 A M T 3< S+ 0 0 34 -4,-3.3 2,-0.6 -5,-0.1 -1,-0.3 0.194 88.4 108.5 -67.7 19.8 84.8 19.7 90.3 194 206 A I < + 0 0 84 -3,-1.0 -1,-0.1 -5,-0.2 -3,-0.0 -0.910 10.6 116.3-117.8 116.8 82.1 20.8 87.9 195 207 A R + 0 0 95 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.533 63.1 141.7-161.2 58.0 81.1 24.4 87.4 196 208 A K + 0 0 47 17,-0.1 2,-0.1 1,-0.0 17,-0.1 -0.816 27.3 146.3-126.8 161.2 82.3 24.0 83.8 197 209 A Q - 0 0 60 15,-0.3 2,-0.2 -2,-0.3 18,-0.1 -0.392 20.7-168.7-149.2-136.6 81.6 24.9 80.0 198 210 A G + 0 0 21 16,-0.2 -181,-0.1 -2,-0.1 -101,-0.1 -0.819 43.6 35.5 149.3 170.8 83.9 25.6 77.0 199 211 A I S S+ 0 0 34 -2,-0.2 2,-0.2 -103,-0.2 625,-0.1 0.693 73.4 113.2 14.4 98.9 84.4 26.8 73.4 200 212 A S - 0 0 32 1,-0.0 -1,-0.1 624,-0.0 -3,-0.0 -0.636 43.1-145.2-154.8-150.4 82.1 29.8 72.8 201 213 A G 0 0 53 -2,-0.2 627,-0.1 0, 0.0 -1,-0.0 -0.396 360.0 360.0-154.6-128.8 82.2 33.5 72.1 202 214 A P 0 0 149 0, 0.0 4,-0.0 0, 0.0 3,-0.0 -0.784 360.0 360.0 -90.3 360.0 80.7 37.1 72.6 203 !* 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 0.0 204 18 B L 0 0 164 0, 0.0 13,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.5 72.1 36.7 78.3 205 19 B A + 0 0 90 10,-0.1 9,-0.0 2,-0.0 12,-0.0 0.621 360.0 146.0 102.9 108.4 75.8 37.6 78.9 206 20 B K - 0 0 200 3,-0.0 2,-0.2 -4,-0.0 0, 0.0 0.433 51.9 -39.7-131.2 -85.1 77.2 41.1 79.4 207 21 B G S S+ 0 0 24 3,-0.0 3,-0.1 0, 0.0 -2,-0.0 -0.607 95.7 40.6-171.7 108.5 80.1 42.2 81.6 208 22 B M S S+ 0 0 144 -2,-0.2 2,-1.9 0, 0.0 0, 0.0 -0.059 80.9 87.1 156.8 -34.9 81.6 41.5 85.0 209 23 B G + 0 0 76 2,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.626 66.5 169.3 -86.2 79.1 81.5 37.7 85.6 210 24 B H + 0 0 135 -2,-1.9 2,-0.3 -3,-0.1 4,-0.0 -0.772 15.7 82.0 -99.9 142.1 84.8 37.3 83.9 211 25 B N S S- 0 0 101 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.974 87.0 -53.6 165.3-156.4 86.9 34.1 83.8 212 26 B Y S S+ 0 0 122 -2,-0.3 2,-0.3 -111,-0.0 -15,-0.3 0.161 107.3 62.9-100.0 13.8 87.4 30.6 82.1 213 27 B Y - 0 0 63 -17,-0.1 2,-0.3 -16,-0.0 -17,-0.1 -0.945 59.9-178.3-137.7 158.6 83.8 29.4 82.6 214 28 B G - 0 0 17 -2,-0.3 -197,-0.2 -199,-0.1 -16,-0.2 -0.964 27.3-163.3-169.7 151.9 80.2 30.3 81.6 215 29 B E + 0 0 69 -2,-0.3 3,-0.1 -199,-0.1 -10,-0.1 -0.901 22.2 161.7-133.7 101.3 76.4 30.0 81.5 216 30 B P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -199,-0.1 0.885 57.3 -5.9 -88.0 -49.9 74.4 31.9 78.7 217 31 B A S S+ 0 0 32 -201,-0.7 -203,-0.0 1,-0.1 0, 0.0 -0.901 98.5 46.3-162.7 133.5 70.8 30.5 78.2 218 32 B W + 0 0 91 -2,-0.3 -204,-0.1 -203,-0.2 -1,-0.1 0.509 58.0 179.6 119.1 16.1 68.4 27.6 79.3 219 33 B P - 0 0 65 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.627 57.5 -5.6 -6.2-126.4 68.7 27.4 83.2 220 34 B N S > S+ 0 0 54 -208,-0.3 2,-2.5 1,-0.2 3,-1.9 0.951 115.7 64.8 -44.5 -92.8 66.6 24.9 85.2 221 35 B D T 3 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 -0.141 77.2 78.1 -46.2 54.5 64.2 23.1 82.8 222 36 B L T >> S+ 0 0 40 -2,-2.5 2,-1.6 -3,-0.3 3,-1.3 0.241 83.5 74.6-124.3 -27.9 66.6 21.2 80.5 223 37 B L T <4 S+ 0 0 91 -3,-1.9 -2,-0.1 1,-0.3 -3,-0.1 -0.267 87.3 64.4 -79.2 44.9 66.6 19.1 83.6 224 38 B Y T 34 S+ 0 0 82 -2,-1.6 -1,-0.3 -4,-0.1 395,-0.3 0.028 98.1 45.9-161.1 25.9 63.2 18.1 82.2 225 39 B V T <> S+ 0 0 4 -3,-1.3 4,-2.4 393,-0.1 -2,-0.2 0.067 98.0 78.0-143.2 -17.8 64.3 16.5 79.0 226 40 B F H X S+ 0 0 86 -4,-0.8 4,-3.1 2,-0.2 5,-0.3 0.963 90.5 52.0 -62.5 -51.5 66.8 14.7 81.2 227 41 B P H > S+ 0 0 33 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.876 106.6 54.9 -54.8 -30.8 64.0 12.4 82.3 228 42 B V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.954 109.9 46.0 -64.3 -46.7 63.4 11.9 78.6 229 43 B V H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 113.8 48.1 -59.9 -48.1 67.0 10.8 78.3 230 44 B I H X S+ 0 0 82 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.957 114.3 44.9 -59.5 -51.9 66.9 8.5 81.3 231 45 B M H X S+ 0 0 22 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.926 113.4 52.9 -58.3 -42.0 63.7 6.9 80.2 232 46 B G H X S+ 0 0 8 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.839 110.2 46.8 -61.8 -36.9 65.2 6.6 76.7 233 47 B T H X S+ 0 0 17 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.963 114.7 46.1 -69.0 -53.9 68.3 4.9 78.1 234 48 B F H X S+ 0 0 51 -4,-2.8 4,-3.6 1,-0.2 5,-0.3 0.960 108.8 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