==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 10-OCT-03 1R5L . COMPND 2 MOLECULE: PROTEIN (ALPHA-TOCOPHEROL TRANSFER PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.C.MIN,R.A.KOVALL,W.A.HENDRICKSON . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 1 3 2 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 25 A Q > 0 0 118 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 145.9 9.9 89.5 7.7 2 26 A P T 3 + 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.266 360.0 4.5 -55.6 121.2 11.2 88.5 4.2 3 27 A G T 3> S+ 0 0 26 -2,-0.1 4,-2.6 35,-0.0 5,-0.2 0.371 90.2 119.4 89.5 -2.4 8.3 87.4 2.0 4 28 A L H <> S+ 0 0 10 -3,-2.0 4,-2.6 2,-0.2 5,-0.2 0.951 80.2 40.6 -63.0 -50.8 5.4 88.2 4.3 5 29 A A H > S+ 0 0 76 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.915 116.1 52.0 -64.5 -38.8 3.7 90.8 2.0 6 30 A A H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 110.7 48.1 -63.0 -41.8 4.4 88.6 -1.0 7 31 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.916 111.1 50.1 -66.5 -43.1 2.9 85.6 0.7 8 32 A R H X S+ 0 0 42 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.931 110.5 50.0 -57.9 -47.7 -0.2 87.5 1.7 9 33 A R H X S+ 0 0 117 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.927 110.2 49.7 -59.3 -43.7 -0.7 88.9 -1.8 10 34 A R H X S+ 0 0 57 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.926 111.3 49.2 -60.2 -45.9 -0.4 85.4 -3.4 11 35 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.6 0.943 114.1 45.7 -58.8 -47.4 -2.9 84.0 -0.9 12 36 A R H ><5S+ 0 0 169 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.929 113.8 48.0 -62.4 -46.6 -5.3 86.9 -1.7 13 37 A E H 3<5S+ 0 0 151 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.896 111.0 50.9 -60.2 -43.5 -4.9 86.6 -5.5 14 38 A A H 3<5S- 0 0 64 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.594 111.2-126.8 -72.4 -9.0 -5.4 82.9 -5.3 15 39 A G T <<5 - 0 0 54 -3,-0.9 3,-0.2 -4,-0.6 -3,-0.2 0.897 34.6-169.2 66.2 41.6 -8.6 83.5 -3.3 16 40 A V < - 0 0 23 -5,-2.3 -1,-0.1 1,-0.2 31,-0.0 -0.258 50.2 -52.6 -60.4 152.0 -7.7 81.3 -0.4 17 41 A P - 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.095 52.7-137.7 -31.6 117.5 -10.5 80.7 2.0 18 42 A L + 0 0 148 -3,-0.2 5,-0.1 1,-0.1 -2,-0.1 0.957 68.9 27.2 -38.2 -79.4 -11.8 84.0 3.0 19 43 A A S S+ 0 0 57 3,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.743 78.0 55.0-129.4 173.0 -12.2 83.1 6.7 20 44 A P S S+ 0 0 23 0, 0.0 229,-0.1 0, 0.0 231,-0.0 0.689 107.7 40.9 -78.5-164.4 -11.7 81.7 9.2 21 45 A L S S- 0 0 11 227,-0.4 228,-0.1 -2,-0.2 227,-0.0 0.995 83.8-141.5 69.5 72.3 -8.0 82.3 9.9 22 46 A P - 0 0 88 0, 0.0 2,-2.3 0, 0.0 5,-0.2 -0.345 25.5-105.3 -62.1 155.1 -7.5 85.9 8.8 23 47 A L + 0 0 29 -5,-0.1 2,-0.1 4,-0.1 -11,-0.1 -0.365 61.1 162.2 -82.0 59.7 -4.1 86.4 7.0 24 48 A T > - 0 0 65 -2,-2.3 4,-2.6 1,-0.1 5,-0.2 -0.351 54.5-109.1 -74.5 163.9 -2.5 88.1 9.9 25 49 A D H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 120.0 54.1 -58.7 -42.4 1.2 88.5 10.1 26 50 A S H > S+ 0 0 86 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.898 109.7 46.5 -61.2 -41.2 1.3 85.9 12.9 27 51 A F H >> S+ 0 0 6 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.952 114.7 45.4 -64.8 -51.1 -0.6 83.3 10.8 28 52 A L H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 3,-0.8 0.835 103.7 63.5 -65.3 -33.3 1.5 83.8 7.7 29 53 A L H 3X S+ 0 0 10 -4,-2.7 4,-3.1 1,-0.3 5,-0.3 0.784 92.2 65.4 -62.1 -24.6 4.7 83.7 9.7 30 54 A R H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 3,-0.9 0.952 113.7 46.8 -63.4 -46.3 7.4 81.2 6.4 33 57 A R H ><5S+ 0 0 27 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.861 105.6 59.1 -65.1 -32.8 9.2 79.9 9.5 34 58 A A H 3<5S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.777 115.7 36.7 -66.5 -21.6 8.2 76.3 8.7 35 59 A R T X<5S- 0 0 37 -4,-0.9 3,-1.8 -3,-0.9 -1,-0.3 -0.032 116.4-107.3-120.5 30.5 10.1 76.7 5.4 36 60 A D T < 5S- 0 0 125 -3,-1.3 -3,-0.2 1,-0.3 3,-0.1 0.809 75.0 -59.8 47.9 38.8 13.0 78.9 6.5 37 61 A F T 3 - 0 0 76 -3,-1.8 4,-3.2 -6,-0.4 5,-0.3 -0.806 36.0-155.7 -89.3 105.4 11.6 80.4 1.4 39 63 A L H > S+ 0 0 42 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.894 87.1 47.9 -50.5 -49.9 8.6 82.1 -0.2 40 64 A D H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 115.4 44.4 -63.5 -39.6 7.9 79.4 -2.8 41 65 A L H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 113.5 51.2 -70.4 -40.3 8.0 76.5 -0.3 42 66 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.884 111.2 49.0 -62.1 -37.9 6.0 78.5 2.2 43 67 A W H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.903 109.7 50.3 -67.9 -43.2 3.4 79.2 -0.4 44 68 A R H X S+ 0 0 124 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 112.6 48.7 -59.9 -43.7 3.2 75.5 -1.5 45 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.904 110.1 51.0 -63.3 -45.2 2.8 74.6 2.2 46 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.933 111.5 46.2 -59.8 -45.2 0.0 77.2 2.7 47 71 A K H X S+ 0 0 97 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 113.5 50.4 -63.0 -41.6 -1.9 75.9 -0.3 48 72 A N H X S+ 0 0 40 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.834 105.5 56.8 -64.9 -34.4 -1.5 72.4 0.9 49 73 A Y H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.941 111.4 42.0 -61.9 -45.6 -2.7 73.3 4.4 50 74 A Y H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.886 114.3 52.7 -68.8 -36.8 -5.9 74.6 2.9 51 75 A K H X S+ 0 0 107 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.949 109.3 48.4 -62.9 -49.6 -6.2 71.6 0.6 52 76 A W H X S+ 0 0 14 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.925 111.4 49.8 -60.1 -44.1 -5.8 69.1 3.3 53 77 A R H < S+ 0 0 13 -4,-2.0 3,-0.3 1,-0.2 7,-0.2 0.904 113.0 46.6 -61.0 -40.7 -8.4 70.9 5.5 54 78 A A H < S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 115.7 46.6 -69.3 -34.3 -10.9 70.9 2.6 55 79 A E H < S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.580 116.9 42.1 -83.6 -11.9 -10.2 67.3 1.8 56 80 A C >X + 0 0 2 -4,-1.3 4,-2.7 -3,-0.3 3,-1.6 -0.329 62.8 148.2-130.4 52.0 -10.4 66.0 5.4 57 81 A P H 3> + 0 0 65 0, 0.0 4,-2.1 0, 0.0 5,-0.4 0.798 67.0 70.4 -59.7 -27.4 -13.4 67.8 6.9 58 82 A E H 34 S+ 0 0 81 1,-0.2 4,-0.2 2,-0.2 52,-0.1 0.868 116.6 24.2 -55.9 -35.5 -14.2 64.8 9.1 59 83 A I H <4 S+ 0 0 0 -3,-1.6 -1,-0.2 -6,-0.1 -6,-0.1 0.861 130.2 40.5 -95.8 -43.6 -11.0 65.8 11.0 60 84 A S H < S+ 0 0 1 -4,-2.7 3,-0.2 -7,-0.2 -2,-0.2 0.664 94.2 73.1 -84.5 -21.3 -10.6 69.5 10.3 61 85 A A S < S+ 0 0 29 -4,-2.1 190,-2.8 -5,-0.2 2,-0.7 0.957 102.1 32.1 -65.5 -54.8 -14.0 71.1 10.4 62 86 A D + 0 0 66 -5,-0.4 -1,-0.2 188,-0.2 5,-0.1 -0.891 57.6 170.1-110.1 108.8 -14.8 71.2 14.0 63 87 A L + 0 0 0 -2,-0.7 184,-0.1 183,-0.4 -1,-0.1 0.254 36.7 125.5 -98.3 10.1 -11.8 71.6 16.3 64 88 A H > - 0 0 19 182,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.532 66.4-129.6 -65.6 136.6 -13.8 72.2 19.4 65 89 A P G >> S+ 0 0 5 0, 0.0 3,-1.4 0, 0.0 4,-1.0 0.606 87.4 94.7 -68.7 -8.4 -12.5 69.6 21.9 66 90 A R G 34 S+ 0 0 148 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.833 79.9 56.5 -50.9 -35.6 -16.0 68.4 22.9 67 91 A S G <4 S+ 0 0 49 -3,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.751 120.9 27.5 -70.4 -23.6 -15.8 65.5 20.3 68 92 A I T X> S+ 0 0 1 -3,-1.4 4,-2.1 -4,-0.2 3,-0.7 0.277 82.1 110.8-123.7 13.8 -12.6 64.1 21.8 69 93 A I H 3X S+ 0 0 46 -4,-1.0 4,-2.6 -3,-0.4 5,-0.2 0.889 80.2 55.1 -57.7 -35.4 -12.7 65.1 25.5 70 94 A G H 3> S+ 0 0 33 -4,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.859 105.2 52.8 -66.0 -32.9 -13.2 61.5 26.5 71 95 A L H <4>S+ 0 0 0 -3,-0.7 5,-1.6 2,-0.2 4,-0.4 0.914 110.2 47.7 -69.2 -39.5 -10.1 60.5 24.7 72 96 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 5,-0.3 0.929 111.2 50.7 -65.2 -43.7 -8.1 63.1 26.5 73 97 A K H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 100.0 64.6 -65.6 -25.8 -9.6 62.0 29.8 74 98 A A T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.577 119.5-108.3 -70.9 -13.3 -8.6 58.4 29.0 75 99 A G T < 5S+ 0 0 0 -3,-1.7 -3,-0.2 -4,-0.4 22,-0.1 0.680 73.2 139.1 96.4 16.8 -4.9 59.5 29.1 76 100 A Y < + 0 0 6 -5,-1.6 18,-2.7 21,-0.3 2,-0.4 0.837 63.6 24.2 -63.0 -32.1 -4.1 59.3 25.4 77 101 A H E +A 93 0A 0 -5,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.973 50.8 163.7-148.9 147.2 -2.0 62.4 25.1 78 102 A G E -A 92 0A 0 14,-2.1 14,-2.9 -2,-0.4 2,-0.4 -0.959 24.2-137.0-152.4 161.9 0.2 64.9 26.9 79 103 A V E -A 91 0A 7 152,-0.5 12,-0.2 -2,-0.3 156,-0.1 -0.991 31.0-115.3-124.0 132.3 2.8 67.6 26.0 80 104 A L - 0 0 3 10,-2.9 10,-0.3 -2,-0.4 137,-0.1 -0.361 12.6-135.0 -67.7 148.0 6.0 67.9 28.0 81 105 A R S S+ 0 0 132 135,-0.2 2,-0.3 8,-0.1 -1,-0.1 0.875 87.8 53.5 -66.5 -40.1 6.5 71.1 30.0 82 106 A S S S- 0 0 63 134,-0.3 8,-0.3 1,-0.1 2,-0.1 -0.718 81.7-122.8-103.8 152.8 10.1 71.4 28.8 83 107 A R - 0 0 67 -2,-0.3 6,-0.2 1,-0.1 -1,-0.1 -0.388 31.9-105.7 -82.0 160.6 11.6 71.5 25.3 84 108 A D > - 0 0 11 4,-2.0 3,-2.4 -2,-0.1 -1,-0.1 -0.231 48.2 -84.2 -77.1 177.9 14.2 69.1 24.2 85 109 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 0.689 131.1 49.7 -60.2 -17.2 17.8 70.2 23.8 86 110 A T T 3 S- 0 0 72 2,-0.1 -3,-0.0 42,-0.1 -2,-0.0 0.393 122.2-104.4 -97.6 0.9 17.2 71.6 20.3 87 111 A G < + 0 0 14 -3,-2.4 41,-0.3 1,-0.3 2,-0.2 0.565 69.5 147.6 92.0 6.9 14.2 73.5 21.5 88 112 A S - 0 0 0 40,-0.1 -4,-2.0 39,-0.1 -1,-0.3 -0.498 51.7-118.0 -76.9 147.7 11.5 71.3 20.0 89 113 A K E - b 0 130A 21 40,-2.1 42,-2.4 -6,-0.2 2,-0.5 -0.608 31.5-139.8 -76.6 146.3 8.2 70.9 21.8 90 114 A V E - b 0 131A 0 -8,-0.3 -10,-2.9 -10,-0.3 2,-0.3 -0.948 16.4-167.8-120.7 126.9 7.7 67.2 22.7 91 115 A L E -Ab 79 132A 5 40,-2.6 42,-2.8 -2,-0.5 2,-0.4 -0.836 5.3-155.4-112.6 143.8 4.4 65.4 22.4 92 116 A I E -Ab 78 133A 0 -14,-2.9 -14,-2.1 -2,-0.3 2,-0.4 -0.969 9.0-175.6-124.7 132.5 3.5 62.0 23.9 93 117 A Y E -Ab 77 134A 6 40,-2.4 42,-3.1 -2,-0.4 2,-0.6 -0.996 8.3-160.6-128.8 133.8 0.7 59.7 22.5 94 118 A R E > - b 0 135A 26 -18,-2.7 3,-2.1 -2,-0.4 42,-0.2 -0.897 5.3-165.5-124.0 103.0 -0.2 56.4 24.2 95 119 A I G > S+ 0 0 6 40,-2.1 3,-2.2 -2,-0.6 -1,-0.1 0.794 84.8 68.5 -57.1 -33.2 -2.1 53.9 22.0 96 120 A A G 3 S+ 0 0 59 41,-0.5 -1,-0.3 39,-0.4 -20,-0.1 0.685 97.1 55.7 -61.6 -18.6 -3.2 51.8 25.0 97 121 A H G < S+ 0 0 64 -3,-2.1 2,-0.7 -22,-0.1 -21,-0.3 0.306 87.0 88.9-100.0 7.8 -5.5 54.7 26.0 98 122 A W < - 0 0 10 -3,-2.2 -27,-0.0 -4,-0.1 -1,-0.0 -0.913 63.0-161.2-105.3 112.6 -7.3 54.8 22.7 99 123 A D >> - 0 0 78 -2,-0.7 4,-2.2 1,-0.1 3,-1.7 -0.826 1.9-162.2 -94.3 108.3 -10.3 52.5 22.8 100 124 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.565 87.0 66.6 -71.3 -4.2 -11.1 51.9 19.1 101 125 A K T 34 S+ 0 0 192 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.666 116.1 27.9 -84.4 -14.8 -14.6 50.7 20.0 102 126 A V T <4 S+ 0 0 92 -3,-1.7 2,-0.4 1,-0.3 -1,-0.1 0.666 123.1 41.0-114.7 -32.6 -15.3 54.3 21.2 103 127 A F S < S- 0 0 31 -4,-2.2 -1,-0.3 -33,-0.1 2,-0.1 -0.986 71.8-139.3-124.7 137.2 -13.1 56.7 19.2 104 128 A T > - 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0 0 28 -29,-2.6 3,-0.4 -2,-0.7 -28,-0.2 0.727 23.5-161.1 -89.5 -25.2 13.2 51.9 19.7 202 226 A G - 0 0 20 -30,-0.5 -28,-2.6 1,-0.2 3,-0.4 -0.196 48.9 -41.4 74.1-163.6 11.5 48.7 20.3 203 227 A N S S+ 0 0 122 1,-0.2 2,-0.8 -28,-0.2 3,-0.2 0.782 133.2 56.9 -74.7 -25.4 10.7 47.2 23.7 204 228 A N S S+ 0 0 140 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 -0.512 70.3 133.9-105.0 68.2 14.1 48.1 25.3 205 229 A Y > + 0 0 34 -2,-0.8 4,-3.3 -3,-0.4 5,-0.3 0.556 32.6 96.5 -92.4 -12.6 13.8 51.8 24.6 206 230 A K H > S+ 0 0 114 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.887 87.6 41.3 -52.3 -52.3 14.8 53.4 27.9 207 231 A Q H > S+ 0 0 149 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.952 119.1 44.6 -62.1 -49.4 18.4 54.1 27.2 208 232 A S H > S+ 0 0 24 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.891 113.4 49.9 -66.0 -38.6 17.9 55.3 23.6 209 233 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.5 0.936 110.1 50.3 -67.1 -41.4 14.9 57.4 24.5 210 234 A L H < S+ 0 0 54 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.815 103.3 60.9 -64.0 -31.3 16.7 59.1 27.4 211 235 A Q H < S+ 0 0 144 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.1 38.1 -64.5 -34.9 19.6 59.9 25.1 212 236 A H H < S+ 0 0 65 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.830 128.1 33.1 -83.7 -29.5 17.3 62.0 22.9 213 237 A F S >X S- 0 0 0 -4,-2.0 3,-1.0 -5,-0.1 4,-0.6 -0.570 78.0-174.2-128.6 67.9 15.3 63.5 25.8 214 238 A P T 34 - 0 0 53 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.359 66.5 -10.2 -69.0 143.8 17.4 64.0 28.8 215 239 A D T 34 S+ 0 0 125 1,-0.2 -5,-0.0 7,-0.1 8,-0.0 0.569 116.7 79.8 50.4 20.5 15.8 65.2 32.0 216 240 A I T <4 + 0 0 16 -3,-1.0 -134,-0.3 -6,-0.1 -135,-0.2 0.447 62.5 104.0-129.6 -4.0 12.4 66.0 30.6 217 241 A L S < S- 0 0 1 -4,-0.6 8,-0.5 1,-0.1 9,-0.4 -0.349 73.2-102.9 -79.8 156.8 10.5 62.7 30.3 218 242 A P > > - 0 0 0 0, 0.0 5,-2.5 0, 0.0 3,-1.6 -0.283 37.2-100.8 -72.2 167.3 7.8 61.5 32.6 219 243 A L G > 5S+ 0 0 89 7,-3.0 3,-1.8 1,-0.3 8,-0.1 0.893 119.7 65.2 -53.5 -41.0 8.5 58.9 35.3 220 244 A E G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 6,-0.2 7,-0.1 0.765 108.2 40.4 -55.7 -27.9 6.9 56.2 33.1 221 245 A Y G < 5S- 0 0 7 -3,-1.6 -1,-0.3 -12,-0.0 -2,-0.2 0.195 133.8 -75.2-110.5 18.5 9.7 56.7 30.5 222 246 A G T < 5S+ 0 0 25 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.331 92.5 126.5 109.3 -7.5 12.8 57.1 32.6 223 247 A G < - 0 0 8 -5,-2.5 -1,-0.3 3,-0.1 -13,-0.0 -0.166 44.7-156.9 -73.8 177.5 12.2 60.6 33.8 224 248 A E S S+ 0 0 160 -7,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.445 71.2 60.7-141.7 4.6 12.3 61.4 37.5 225 249 A E S S+ 0 0 163 -8,-0.5 2,-0.3 1,-0.2 -9,-0.0 0.776 103.3 7.0-109.1 -29.6 10.3 64.6 38.2 226 250 A F - 0 0 15 -9,-0.4 -7,-3.0 4,-0.0 -1,-0.2 -0.932 65.7-110.6-148.7 169.8 6.6 64.1 37.2 227 251 A S > - 0 0 26 -2,-0.3 4,-1.9 -9,-0.2 3,-0.3 -0.617 26.6-115.5-104.0 161.6 4.1 61.5 35.9 228 252 A X H > S+ 0 0 0 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.898 116.7 56.5 -58.8 -39.7 2.2 60.9 32.7 229 253 A E H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.860 103.6 54.9 -62.0 -34.0 -1.1 61.6 34.4 230 254 A D H > S+ 0 0 61 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.940 113.1 40.7 -64.7 -48.2 0.2 65.0 35.6 231 255 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -152,-0.5 0.872 113.0 53.2 -73.1 -31.5 1.0 66.1 32.0 232 256 A C H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.891 112.1 46.2 -66.1 -39.1 -2.1 64.6 30.5 233 257 A Q H X S+ 0 0 114 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.908 112.8 49.9 -67.1 -42.3 -4.2 66.5 33.1 234 258 A E H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 115.5 42.4 -63.9 -44.5 -2.3 69.8 32.5 235 259 A W H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.895 112.2 53.0 -71.3 -37.3 -2.6 69.5 28.7 236 260 A T H X S+ 0 0 11 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.912 109.7 49.6 -62.2 -42.9 -6.2 68.5 28.8 237 261 A N H X S+ 0 0 81 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.953 110.5 50.4 -61.0 -45.2 -7.1 71.5 31.0 238 262 A F H X S+ 0 0 75 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.909 110.9 48.4 -60.5 -41.0 -5.2 73.8 28.5 239 263 A I H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.939 112.0 50.1 -63.5 -44.0 -7.2 72.3 25.6 240 264 A X H >< S+ 0 0 89 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.904 110.4 49.4 -60.6 -41.4 -10.4 72.8 27.5 241 265 A K H 3< S+ 0 0 146 -4,-2.9 3,-0.4 1,-0.3 -1,-0.3 0.730 108.0 55.3 -70.0 -21.1 -9.5 76.4 28.3 242 266 A S T S+ 0 0 76 -3,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.803 76.3 47.4 -54.8 -32.8 -12.1 75.8 23.4 244 268 A D H > S+ 0 0 114 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.841 110.4 49.4 -80.7 -34.2 -13.1 79.2 22.1 245 269 A Y H > S+ 0 0 65 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.945 113.1 49.3 -65.6 -44.8 -9.8 79.8 20.2 246 270 A L H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -183,-0.4 0.879 110.3 51.6 -59.6 -34.1 -10.4 76.4 18.7 247 271 A S H >< S+ 0 0 46 -4,-1.3 3,-1.5 -5,-0.2 -1,-0.2 0.859 103.9 57.2 -66.9 -40.0 -13.9 77.5 18.0 248 272 A S H 3< S+ 0 0 70 -4,-2.3 -227,-0.4 1,-0.3 -1,-0.2 0.712 110.5 42.9 -66.4 -21.3 -12.7 80.6 16.2 249 273 A I T 3< S+ 0 0 7 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.118 103.1 90.7-109.6 17.5 -10.6 78.5 13.8 250 274 A S < 0 0 21 -3,-1.5 -188,-0.2 -5,-0.1 -189,-0.1 -0.632 360.0 360.0-105.5 167.5 -13.4 76.0 13.3 251 275 A E 0 0 152 -190,-2.8 -189,-0.2 -2,-0.2 -190,-0.1 0.498 360.0 360.0-147.7 360.0 -16.2 76.0 10.7