==== 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 TRANSFERASE 22-JAN-02 1KUV . COMPND 2 MOLECULE: SEROTONIN N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR E.WOLF,J.DE ANGELIS,E.M.KHALIL,P.A.COLE,S.K.BURLEY . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 20.5 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 0.6 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 0 0 0 0 1 1 0 0 0 1 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 . 0 0 2 0 0 2 0 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 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 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 30 A H 0 0 235 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.0 44.4 28.7 3.5 2 31 A T - 0 0 100 0, 0.0 56,-0.0 0, 0.0 0, 0.0 -0.990 360.0-109.2-156.1 162.6 42.9 25.6 5.2 3 32 A L - 0 0 93 -2,-0.3 55,-0.0 55,-0.1 2,-0.0 -0.803 42.2-120.3 -94.1 129.2 39.8 23.6 6.0 4 33 A P - 0 0 54 0, 0.0 54,-1.6 0, 0.0 55,-0.5 -0.386 10.1-131.6 -69.6 150.7 38.7 23.8 9.7 5 34 A A S S+ 0 0 56 1,-0.3 2,-0.4 52,-0.2 53,-0.3 0.924 93.2 6.7 -65.5 -45.4 38.5 20.6 11.7 6 35 A N S S+ 0 0 86 51,-0.2 2,-0.4 52,-0.1 -1,-0.3 -0.993 70.1 175.1-142.2 132.1 35.1 21.5 13.0 7 36 A E E -A 56 0A 72 49,-2.3 49,-2.9 -2,-0.4 2,-0.5 -0.982 11.9-163.8-141.4 127.9 32.8 24.3 12.0 8 37 A F E +A 55 0A 52 -2,-0.4 2,-0.3 47,-0.2 47,-0.2 -0.949 29.7 143.3-111.5 123.1 29.2 25.1 13.0 9 38 A R E -A 54 0A 75 45,-2.0 45,-2.4 -2,-0.5 2,-0.1 -0.973 52.1 -92.0-153.0 164.2 27.3 27.6 10.9 10 39 A C - 0 0 46 -2,-0.3 43,-0.2 43,-0.2 40,-0.1 -0.461 52.2-112.2 -73.7 152.9 23.9 28.5 9.5 11 40 A L - 0 0 1 38,-0.5 41,-0.1 -2,-0.1 -1,-0.1 -0.418 24.6-158.0 -86.3 164.5 23.3 27.0 6.0 12 41 A T > - 0 0 47 -2,-0.1 3,-3.0 1,-0.0 4,-0.2 -0.916 40.5 -94.4-133.7 160.6 22.9 28.8 2.7 13 42 A P G > S+ 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.769 121.1 67.2 -46.5 -30.2 21.2 27.7 -0.6 14 43 A E G 3 S+ 0 0 161 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.745 93.0 59.6 -66.0 -20.6 24.6 26.5 -1.8 15 44 A D G <> S+ 0 0 20 -3,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.407 79.0 98.1 -85.3 2.4 24.6 23.8 0.9 16 45 A A H <> S+ 0 0 3 -3,-2.0 4,-2.0 -4,-0.2 -1,-0.2 0.905 79.2 49.9 -56.6 -46.6 21.3 22.5 -0.7 17 46 A A H > S+ 0 0 63 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.929 109.8 51.1 -60.6 -47.9 23.1 19.7 -2.6 18 47 A G H > S+ 0 0 31 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.927 109.5 48.3 -58.1 -48.4 25.0 18.5 0.4 19 48 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 109.6 53.2 -62.6 -38.8 21.9 18.2 2.7 20 49 A F H X S+ 0 0 50 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.868 105.8 53.8 -63.7 -36.2 19.9 16.4 0.0 21 50 A E H X S+ 0 0 107 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.924 108.7 49.2 -63.6 -42.5 22.7 13.8 -0.4 22 51 A I H >X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 3,-0.7 0.934 110.3 51.5 -61.7 -42.4 22.6 13.2 3.3 23 52 A E H 3X>S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-1.9 0.828 98.4 65.3 -63.1 -34.6 18.8 12.8 3.2 24 53 A R H 3<>S+ 0 0 118 -4,-1.9 5,-1.6 1,-0.2 -1,-0.2 0.852 115.3 29.8 -57.4 -35.7 19.0 10.2 0.4 25 54 A E H <<5S+ 0 0 54 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.811 123.0 48.2 -92.8 -36.4 20.7 7.8 2.7 26 55 A A H <5S+ 0 0 23 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.890 134.7 1.4 -73.5 -39.4 19.2 8.9 6.0 27 56 A F T >X5S+ 0 0 42 -4,-2.9 4,-1.6 -5,-0.2 3,-1.0 0.793 128.0 49.7-115.3 -54.0 15.5 9.0 4.9 28 57 A I H 3>> - 0 0 73 -2,-0.4 4,-2.1 -3,-0.1 3,-0.9 -0.486 47.2 -88.1 -86.6 166.6 13.5 17.6 -1.6 38 67 A L H 3> S+ 0 0 71 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.825 129.2 50.0 -43.0 -41.6 16.2 19.8 -3.1 39 68 A D H 3> S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.879 109.8 49.7 -68.9 -36.9 13.6 22.5 -4.0 40 69 A E H <> S+ 0 0 65 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.840 110.6 49.5 -71.7 -32.0 12.1 22.6 -0.5 41 70 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.904 110.6 49.7 -73.9 -38.0 15.5 22.9 1.2 42 71 A Q H X S+ 0 0 76 -4,-1.9 4,-0.6 -5,-0.3 -2,-0.2 0.914 108.8 56.3 -63.1 -40.3 16.5 25.7 -1.1 43 72 A H H >X S+ 0 0 76 -4,-1.9 4,-2.2 1,-0.2 3,-1.7 0.978 112.6 37.2 -53.3 -64.8 13.2 27.3 -0.2 44 73 A F H 3X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.3 7,-0.2 0.841 113.6 56.7 -62.2 -33.0 13.8 27.4 3.5 45 74 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.581 111.4 47.0 -75.1 -5.9 17.5 28.2 3.2 46 75 A T H << S+ 0 0 96 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.861 120.4 31.0 -97.0 -53.8 16.4 31.2 1.2 47 76 A L H < S+ 0 0 75 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.800 137.9 16.6 -79.6 -27.6 13.7 32.7 3.3 48 77 A C >< + 0 0 1 -4,-2.1 3,-1.6 -5,-0.3 19,-0.3 -0.324 61.8 150.7-145.8 65.2 15.0 31.6 6.7 49 78 A P G > S+ 0 0 38 0, 0.0 3,-1.6 0, 0.0 -38,-0.5 0.753 74.0 69.4 -62.6 -26.7 18.6 30.5 6.8 50 79 A E G 3 S+ 0 0 83 1,-0.3 18,-0.1 -40,-0.1 -5,-0.1 0.678 91.6 60.6 -68.0 -17.1 18.9 31.7 10.4 51 80 A L G < S+ 0 0 1 -3,-1.6 16,-0.9 -7,-0.2 2,-0.3 0.104 96.7 79.1 -96.4 20.8 16.6 28.8 11.3 52 81 A S E < - B 0 66A 0 -3,-1.6 2,-0.3 14,-0.2 14,-0.2 -0.870 55.8-171.7-124.5 160.9 19.1 26.3 10.0 53 82 A L E - B 0 65A 6 12,-2.3 12,-2.3 -2,-0.3 2,-0.3 -0.977 2.6-174.9-153.8 139.0 22.3 24.8 11.4 54 83 A G E -AB 9 64A 0 -45,-2.4 -45,-2.0 -2,-0.3 2,-0.5 -0.989 18.0-143.8-139.8 147.3 25.1 22.6 10.0 55 84 A W E -AB 8 63A 22 8,-2.9 7,-3.2 -2,-0.3 8,-1.1 -0.933 20.4-167.4-109.0 126.6 28.2 20.9 11.2 56 85 A F E -AB 7 61A 15 -49,-2.9 -49,-2.3 -2,-0.5 2,-0.5 -0.960 7.0-166.6-118.8 133.9 31.1 20.8 8.8 57 86 A V E > S- B 0 60A 26 3,-2.8 3,-1.4 -2,-0.4 -51,-0.2 -0.982 78.6 -18.6-119.1 119.1 34.2 18.6 9.2 58 87 A E T 3 S- 0 0 106 -54,-1.6 -1,-0.2 -2,-0.5 -53,-0.1 0.891 131.6 -48.0 52.3 44.0 37.2 19.4 7.0 59 88 A G T 3 S+ 0 0 29 -55,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.574 117.3 107.5 77.2 10.5 34.9 21.4 4.6 60 89 A R E < S-B 57 0A 171 -3,-1.4 -3,-2.8 -42,-0.0 2,-0.2 -0.973 72.2-116.2-125.7 136.6 32.2 18.8 4.3 61 90 A L E +B 56 0A 23 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.503 37.9 164.6 -67.4 128.0 28.7 18.8 5.8 62 91 A V E + 0 0 3 -7,-3.2 36,-3.2 1,-0.4 2,-0.3 0.508 64.1 16.5-122.3 -10.8 28.2 16.0 8.3 63 92 A A E +BC 55 97A 0 -8,-1.1 -8,-2.9 34,-0.3 -1,-0.4 -0.963 64.5 175.4-161.2 145.1 25.1 17.1 10.2 64 93 A F E -BC 54 96A 0 32,-2.3 32,-2.0 -2,-0.3 2,-0.4 -0.995 19.9-160.8-153.9 158.5 22.2 19.5 9.7 65 94 A I E -BC 53 95A 0 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.5 -0.992 13.5-167.1-137.8 131.1 18.9 20.9 11.0 66 95 A I E +BC 52 94A 1 28,-2.0 27,-1.8 -2,-0.4 28,-1.5 -0.995 19.7 161.0-123.5 127.0 16.6 22.8 8.7 67 96 A G E - C 0 92A 1 -16,-0.9 2,-0.3 -2,-0.5 25,-0.2 -0.730 20.9-170.8-135.4-176.9 13.7 24.7 10.2 68 97 A S E - C 0 91A 0 23,-1.0 23,-3.3 -2,-0.2 2,-0.3 -0.920 37.7 -86.5-162.1 173.7 11.2 27.5 9.6 69 98 A L E - C 0 90A 19 -2,-0.3 15,-2.5 21,-0.2 2,-0.3 -0.722 36.3-170.5 -96.6 146.0 8.7 29.3 11.8 70 99 A W E - C 0 89A 0 19,-2.2 19,-1.7 -2,-0.3 18,-0.6 -0.972 14.5-158.2-132.8 148.6 5.1 28.1 12.4 71 100 A D + 0 0 78 -2,-0.3 2,-0.3 16,-0.2 3,-0.1 0.080 61.3 83.9-117.9 24.2 2.2 29.9 14.1 72 101 A E S S- 0 0 71 1,-0.1 -2,-0.1 17,-0.1 4,-0.0 -0.935 77.3-119.6-129.1 152.4 -0.1 27.2 15.3 73 102 A E S S+ 0 0 142 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.910 97.4 31.0 -52.4 -49.3 -0.3 24.9 18.3 74 103 A R S S- 0 0 83 -3,-0.1 2,-0.1 54,-0.0 -3,-0.1 -0.805 88.1-104.6-116.9 157.1 0.0 21.7 16.4 75 104 A L - 0 0 2 -2,-0.3 76,-0.5 54,-0.1 2,-0.3 -0.466 39.4-176.1 -74.0 147.6 1.7 20.7 13.1 76 105 A T >> - 0 0 39 -2,-0.1 3,-0.7 75,-0.1 4,-0.5 -0.843 41.8 -93.5-137.0 172.7 -0.4 20.2 10.0 77 106 A Q G >4 S+ 0 0 96 -2,-0.3 3,-1.0 1,-0.2 4,-0.3 0.877 122.8 51.2 -58.8 -39.9 0.0 19.1 6.4 78 107 A E G >4 S+ 0 0 106 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.756 94.1 70.5 -72.1 -22.3 0.5 22.6 5.1 79 108 A S G X4 S+ 0 0 0 -3,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.722 82.9 78.3 -64.9 -18.5 3.2 23.5 7.7 80 109 A L G << S+ 0 0 45 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.825 107.8 23.1 -58.0 -36.0 5.3 21.1 5.7 81 110 A A G < S+ 0 0 52 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.056 108.1 95.5-122.4 25.9 6.0 23.7 3.1 82 111 A L < - 0 0 54 -3,-1.0 2,-0.4 -4,-0.1 -38,-0.0 -0.865 47.5-163.3-123.7 156.2 5.4 27.0 4.9 83 112 A H - 0 0 35 -2,-0.3 -13,-0.2 -15,-0.1 3,-0.1 -0.947 10.4-162.4-133.7 107.1 7.3 29.7 6.8 84 113 A R > - 0 0 59 -15,-2.5 3,-2.9 -2,-0.4 -2,-0.0 -0.803 4.3-161.6 -94.6 96.1 5.1 31.9 9.0 85 114 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 0.741 90.1 49.6 -46.8 -31.9 7.4 35.0 9.6 86 115 A R T 3 S+ 0 0 224 -17,-0.1 -16,-0.1 -3,-0.1 -2,-0.0 0.343 87.3 118.6 -94.0 5.3 5.3 36.0 12.6 87 116 A G < - 0 0 2 -3,-2.9 -16,-0.2 1,-0.1 -18,-0.0 -0.284 53.1-155.9 -71.0 158.0 5.3 32.6 14.2 88 117 A H + 0 0 73 -18,-0.6 37,-2.9 36,-0.1 38,-1.4 0.291 69.5 89.3-113.3 4.5 6.8 31.9 17.6 89 118 A S E -Cd 70 126A 10 -19,-1.7 -19,-2.2 35,-0.2 2,-0.9 -0.912 68.4-143.1-110.3 127.2 7.4 28.3 17.0 90 119 A A E -Cd 69 127A 1 36,-3.3 38,-2.4 -2,-0.5 2,-0.8 -0.775 19.5-155.3 -86.6 106.8 10.7 26.9 15.4 91 120 A H E -Cd 68 128A 3 -23,-3.3 2,-1.0 -2,-0.9 -23,-1.0 -0.747 1.9-153.4 -87.9 104.3 9.6 24.0 13.2 92 121 A L E +C 67 0A 13 36,-2.5 38,-0.5 -2,-0.8 -25,-0.3 -0.658 16.6 177.9 -78.4 102.9 12.5 21.5 12.7 93 122 A H E + 0 0 25 -27,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.871 66.1 9.6 -73.5 -38.1 11.6 19.9 9.4 94 123 A A E +C 66 0A 5 -28,-1.5 -28,-2.0 -59,-0.1 2,-0.4 -0.995 52.7 179.2-150.3 139.3 14.7 17.7 9.3 95 124 A L E +C 65 0A 33 -2,-0.3 2,-0.3 -30,-0.2 -30,-0.2 -0.992 24.6 153.9-135.5 124.3 17.5 16.6 11.5 96 125 A A E -C 64 0A 8 -32,-2.0 -32,-2.3 -2,-0.4 2,-0.4 -0.992 29.8-152.4-155.4 150.9 20.1 14.2 10.2 97 126 A V E -C 63 0A 17 -2,-0.3 -34,-0.3 -34,-0.2 5,-0.1 -0.979 40.0 -97.3-123.5 136.3 23.7 13.1 10.7 98 127 A H > - 0 0 60 -36,-3.2 3,-2.5 -2,-0.4 4,-0.4 -0.182 34.2-115.2 -53.7 141.7 25.9 11.6 7.9 99 128 A R G > S+ 0 0 147 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.836 113.9 52.4 -47.1 -44.8 26.1 7.8 7.8 100 129 A S G 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.479 112.1 47.4 -75.8 0.0 29.8 7.7 8.6 101 130 A F G < S+ 0 0 56 -3,-2.5 3,-0.4 -39,-0.1 5,-0.3 0.300 81.2 118.7-125.5 12.3 29.5 10.0 11.6 102 131 A R < + 0 0 90 -3,-0.9 -4,-0.0 -4,-0.4 -3,-0.0 -0.198 58.4 35.8 -78.6 169.8 26.6 8.7 13.7 103 132 A Q S S+ 0 0 201 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.769 89.8 93.9 61.7 33.2 26.6 7.4 17.2 104 133 A Q S S- 0 0 118 -3,-0.4 -1,-0.1 0, 0.0 -2,-0.0 -0.098 105.1 -86.4-145.5 45.5 29.1 9.8 18.6 105 134 A G S > S+ 0 0 39 1,-0.1 4,-3.1 4,-0.0 5,-0.3 0.191 92.8 117.3 76.3 -14.9 27.3 12.8 20.1 106 135 A K H > S+ 0 0 26 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.901 78.4 44.6 -50.2 -53.6 27.0 14.9 16.9 107 136 A G H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 115.6 47.9 -59.9 -44.0 23.3 14.9 16.7 108 137 A S H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.925 114.0 47.0 -63.6 -43.9 22.9 15.6 20.4 109 138 A V H X S+ 0 0 68 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.905 113.3 47.7 -65.0 -43.9 25.5 18.5 20.2 110 139 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.938 111.2 51.9 -64.3 -44.2 23.9 20.0 17.1 111 140 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.910 110.9 45.8 -60.5 -43.4 20.4 19.8 18.6 112 141 A W H X S+ 0 0 106 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.923 114.3 48.6 -65.6 -43.2 21.5 21.6 21.8 113 142 A R H X S+ 0 0 117 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.909 112.6 49.5 -61.5 -41.0 23.4 24.2 19.9 114 143 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.4 0.914 109.3 51.6 -63.0 -45.5 20.3 24.7 17.6 115 144 A L H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.937 115.5 40.1 -58.0 -49.7 18.0 25.0 20.6 116 145 A H H X S+ 0 0 120 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.920 115.4 52.8 -66.8 -43.8 20.1 27.7 22.2 117 146 A H H >X S+ 0 0 54 -4,-2.9 3,-0.7 -5,-0.3 4,-0.7 0.936 117.9 35.4 -56.0 -52.7 20.8 29.4 18.9 118 147 A V H >< S+ 0 0 2 -4,-3.0 3,-0.5 1,-0.2 6,-0.3 0.813 115.0 57.7 -72.7 -30.2 17.1 29.6 17.9 119 148 A G H 3< S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.548 93.0 70.0 -76.8 -6.7 16.1 30.2 21.6 120 149 A A H << S+ 0 0 73 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.873 82.1 79.8 -75.3 -38.0 18.4 33.2 21.5 121 150 A Q S X< S- 0 0 61 -4,-0.7 3,-1.4 -3,-0.5 -1,-0.1 -0.601 78.7-150.6 -72.4 106.6 15.9 34.9 19.2 122 151 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.752 90.0 66.6 -49.3 -32.9 13.2 36.1 21.7 123 152 A A T 3 S+ 0 0 56 2,-0.1 2,-0.6 1,-0.0 -4,-0.1 0.896 87.2 78.2 -58.4 -41.4 10.4 35.8 19.1 124 153 A V < + 0 0 6 -3,-1.4 -35,-0.2 -6,-0.3 -36,-0.1 -0.611 52.0 164.1 -75.1 115.7 10.9 32.1 19.1 125 154 A R + 0 0 160 -37,-2.9 41,-2.2 -2,-0.6 2,-0.3 0.495 59.7 22.7-110.4 -8.3 9.2 30.7 22.2 126 155 A R E -dE 89 165A 42 -38,-1.4 -36,-3.3 39,-0.3 2,-0.4 -0.989 59.5-139.0-157.0 159.0 9.0 27.0 21.3 127 156 A A E -dE 90 164A 1 37,-2.6 37,-2.8 -2,-0.3 2,-0.3 -0.987 23.5-176.8-125.2 134.0 10.5 24.2 19.2 128 157 A V E +dE 91 163A 0 -38,-2.4 -36,-2.5 -2,-0.4 2,-0.3 -0.957 8.9 153.9-132.8 150.8 8.4 21.6 17.4 129 158 A L E - E 0 162A 5 33,-1.6 33,-2.7 -2,-0.3 2,-0.4 -0.981 34.7-117.2-163.6 168.2 9.0 18.5 15.3 130 159 A M E + E 0 161A 47 -38,-0.5 2,-0.3 -2,-0.3 31,-0.2 -0.889 36.9 170.1-111.4 145.2 7.7 15.1 14.1 131 160 A C E - E 0 160A 1 29,-2.0 29,-3.1 -2,-0.4 19,-0.1 -0.998 36.8 -95.2-157.1 157.9 9.5 11.9 14.9 132 161 A E > - 0 0 80 -2,-0.3 3,-2.5 27,-0.2 4,-0.5 -0.390 44.8-109.1 -70.1 147.6 9.3 8.1 14.8 133 162 A D G > S+ 0 0 99 25,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.815 115.7 61.4 -47.4 -37.0 8.1 6.5 18.0 134 163 A A G 3 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.578 102.5 50.8 -70.6 -9.9 11.6 5.0 18.6 135 164 A L G <> S+ 0 0 63 -3,-2.5 4,-2.2 2,-0.1 -1,-0.2 0.412 80.7 95.2-106.4 -0.9 13.2 8.5 18.9 136 165 A V H <> S+ 0 0 19 -3,-1.2 4,-1.6 -4,-0.5 -2,-0.1 0.925 85.8 48.1 -56.0 -49.0 10.7 10.0 21.4 137 166 A P H > S+ 0 0 74 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.886 108.5 56.9 -61.7 -34.7 12.9 9.2 24.4 138 167 A F H >4 S+ 0 0 41 1,-0.2 3,-1.1 -4,-0.2 -2,-0.2 0.955 108.6 44.6 -58.4 -52.5 15.9 10.7 22.6 139 168 A Y H ><>S+ 0 0 21 -4,-2.2 3,-1.6 1,-0.3 5,-1.5 0.767 102.6 66.5 -66.9 -23.9 14.1 14.0 22.1 140 169 A Q H ><5S+ 0 0 96 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.799 87.2 68.8 -66.8 -25.6 12.9 14.0 25.7 141 170 A R T <<5S+ 0 0 181 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.647 101.3 50.4 -65.1 -11.9 16.6 14.3 26.8 142 171 A F T < 5S- 0 0 8 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.389 127.9 -92.4-107.8 0.7 16.3 17.8 25.3 143 172 A G T < 5S+ 0 0 34 -3,-1.5 22,-0.5 1,-0.4 -3,-0.2 0.375 79.5 139.5 104.2 -4.8 13.2 19.0 27.0 144 173 A F < - 0 0 4 -5,-1.5 -1,-0.4 20,-0.2 20,-0.2 -0.474 38.7-151.6 -73.9 144.4 10.7 17.9 24.3 145 174 A H E -F 163 0A 124 18,-2.5 18,-2.2 -2,-0.1 2,-0.1 -0.966 23.1-109.4-119.7 133.0 7.5 16.4 25.5 146 175 A P E -F 162 0A 67 0, 0.0 16,-0.2 0, 0.0 14,-0.0 -0.377 31.4-172.1 -60.1 132.9 5.5 13.9 23.5 147 176 A A E - 0 0 27 14,-3.7 15,-0.1 1,-0.4 -2,-0.0 -0.179 42.0 -94.4-123.1 41.0 2.3 15.6 22.2 148 177 A G E S- 0 0 34 13,-0.1 13,-2.7 12,-0.1 -1,-0.4 -0.003 72.8 -20.0 77.5 177.0 0.3 12.8 20.7 149 178 A P E S-F 160 0A 101 0, 0.0 11,-0.3 0, 0.0 2,-0.2 -0.272 70.4-122.3 -56.1 137.8 0.0 11.4 17.1 150 179 A C - 0 0 15 9,-3.1 9,-0.3 -19,-0.1 -74,-0.1 -0.621 10.3-138.8 -82.0 149.0 1.2 14.0 14.6 151 180 A A + 0 0 69 -76,-0.5 -1,-0.1 -2,-0.2 -75,-0.1 0.736 68.2 110.5 -78.3 -24.1 -1.5 14.9 12.1 152 181 A I - 0 0 8 -76,-0.1 2,-0.4 -77,-0.1 7,-0.2 -0.267 58.8-144.8 -61.0 131.3 1.0 15.0 9.1 153 182 A V + 0 0 96 5,-0.1 2,-0.2 -2,-0.0 3,-0.1 -0.795 25.5 163.5-100.0 138.2 0.7 12.2 6.6 154 183 A V > - 0 0 31 3,-0.5 3,-1.3 -2,-0.4 2,-0.3 -0.735 63.7 -62.4-154.9 99.5 3.6 10.6 4.7 155 184 A G T 3 S- 0 0 73 1,-0.2 -1,-0.2 -2,-0.2 -123,-0.0 -0.449 104.1 -41.7 61.2-118.8 3.3 7.3 2.9 156 185 A S T 3 S+ 0 0 114 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.0 0.452 103.4 116.9-121.2 -7.2 2.4 4.8 5.7 157 186 A L < - 0 0 62 -3,-1.3 -3,-0.5 -126,-0.1 2,-0.3 -0.312 53.8-139.9 -68.4 147.4 4.8 5.9 8.5 158 187 A T - 0 0 100 -5,-0.1 -25,-0.4 -2,-0.0 2,-0.3 -0.842 16.6-163.4-108.2 143.9 3.4 7.2 11.8 159 188 A F - 0 0 21 -2,-0.3 -9,-3.1 -9,-0.3 2,-0.4 -0.949 15.0-143.3-130.9 150.2 4.8 10.1 13.8 160 189 A T E -EF 131 149A 23 -29,-3.1 -29,-2.0 -2,-0.3 2,-0.4 -0.884 26.3-129.2-106.2 139.3 4.6 11.5 17.3 161 190 A E E -E 130 0A 0 -13,-2.7 -14,-3.7 -2,-0.4 2,-0.4 -0.750 21.8-158.5 -90.2 137.7 4.7 15.2 17.6 162 191 A M E -EF 129 146A 0 -33,-2.7 -33,-1.6 -2,-0.4 2,-0.4 -0.971 4.6-164.9-120.9 133.9 7.2 16.7 20.1 163 192 A H E -EF 128 145A 32 -18,-2.2 -18,-2.5 -2,-0.4 2,-0.4 -0.970 4.0-173.7-121.7 131.2 6.9 20.1 21.7 164 193 A C E -E 127 0A 7 -37,-2.8 -37,-2.6 -2,-0.4 2,-0.4 -0.974 18.0-139.3-127.3 120.9 9.8 21.9 23.6 165 194 A S E E 126 0A 105 -22,-0.5 -39,-0.3 -2,-0.4 -40,-0.0 -0.614 360.0 360.0 -79.1 130.6 9.4 25.2 25.4 166 195 A L 0 0 72 -41,-2.2 -40,-0.1 -2,-0.4 -1,-0.1 -0.168 360.0 360.0-100.7 360.0 12.2 27.6 25.0