==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT 24-JUN-03 1OIP . COMPND 2 MOLECULE: ALPHA-TOCOPHEROL TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.MEIER,T.TOMIZAKI,C.SCHULZE-BRIESE,U.BAUMANN,A.STOCKER . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.4 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 . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 2 2 2 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 0 1 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 0 128 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 38.3 -4.7 -23.4 8.5 2 26 A P T 3 + 0 0 82 0, 0.0 35,-0.0 0, 0.0 0, 0.0 -0.533 360.0 22.5 -74.5 141.2 -0.9 -23.1 8.1 3 27 A G T 3> S+ 0 0 28 -2,-0.2 4,-3.1 4,-0.0 5,-0.2 0.283 87.3 115.2 88.3 -11.1 0.9 -21.7 11.1 4 28 A L H <> S+ 0 0 15 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.962 80.3 39.6 -56.6 -57.2 -1.8 -22.7 13.6 5 29 A A H > S+ 0 0 61 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.921 117.9 50.4 -59.9 -45.2 0.3 -25.3 15.5 6 30 A A H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 110.4 49.2 -58.5 -45.9 3.3 -23.1 15.4 7 31 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.908 112.5 47.2 -61.7 -42.7 1.4 -20.1 16.6 8 32 A R H X S+ 0 0 61 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.891 110.6 53.3 -68.8 -37.7 -0.1 -22.1 19.5 9 33 A R H X S+ 0 0 138 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.927 109.6 47.2 -61.4 -46.8 3.4 -23.5 20.3 10 34 A R H X S+ 0 0 61 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.926 113.0 49.5 -59.1 -45.1 5.0 -20.0 20.5 11 35 A A H X>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 4,-0.6 0.907 110.9 48.2 -63.3 -43.1 2.1 -18.7 22.7 12 36 A R H <5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 114.7 46.1 -68.2 -30.5 2.3 -21.6 25.2 13 37 A E H <5S+ 0 0 140 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.688 106.8 56.4 -92.5 -19.0 6.0 -21.3 25.5 14 38 A A H <5S- 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.547 115.8-116.6 -80.5 -10.8 6.0 -17.5 25.9 15 39 A G T <5 - 0 0 60 -4,-0.6 -3,-0.2 1,-0.2 3,-0.1 0.680 44.4-178.0 81.5 17.5 3.6 -18.1 28.9 16 40 A V < - 0 0 24 -5,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.161 41.2 -91.8 -35.4 137.8 0.7 -16.3 27.3 17 41 A P - 0 0 65 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.390 16.5-146.7 -68.0 136.3 -2.1 -16.4 29.9 18 42 A L + 0 0 136 -3,-0.1 -2,-0.1 -2,-0.1 -6,-0.0 0.652 59.4 148.1 -72.6 -19.0 -4.5 -19.2 29.7 19 43 A A S S- 0 0 57 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.437 73.2 -46.8 47.7-159.4 -6.6 -16.3 30.9 20 44 A P S S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 230,-0.1 0.381 127.0 78.3 -86.7 1.0 -10.3 -16.1 30.0 21 45 A L - 0 0 9 -4,-0.2 2,-0.2 228,-0.1 228,-0.1 -0.903 69.7-155.8-117.5 102.6 -9.2 -16.9 26.4 22 46 A P - 0 0 76 0, 0.0 2,-2.6 0, 0.0 5,-0.1 -0.532 29.9-115.7 -67.3 140.8 -8.4 -20.5 25.5 23 47 A L + 0 0 23 -2,-0.2 2,-0.1 4,-0.1 -11,-0.0 -0.490 54.0 167.5 -79.0 70.0 -6.1 -20.8 22.5 24 48 A T > - 0 0 64 -2,-2.6 4,-2.6 1,-0.1 5,-0.3 -0.453 50.4-109.7 -74.6 160.0 -8.8 -22.5 20.5 25 49 A D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 120.7 51.7 -51.9 -48.1 -8.2 -23.0 16.7 26 50 A S H > S+ 0 0 85 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 110.4 48.5 -63.5 -39.6 -10.9 -20.4 16.0 27 51 A F H >> S+ 0 0 3 2,-0.2 3,-0.8 1,-0.2 4,-0.7 0.962 114.3 43.8 -61.7 -52.8 -9.3 -17.9 18.4 28 52 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.850 105.5 63.3 -64.7 -34.1 -5.8 -18.2 17.0 29 53 A L H 3X S+ 0 0 10 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.780 91.5 66.3 -63.8 -26.3 -7.1 -18.2 13.4 30 54 A R H <>S+ 0 0 0 -4,-1.7 5,-3.4 1,-0.2 3,-0.5 0.933 113.8 46.9 -61.6 -47.7 -3.5 -15.6 11.3 33 57 A R H ><5S+ 0 0 27 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.897 106.6 58.2 -62.9 -38.1 -6.3 -14.3 9.1 34 58 A A H 3<5S+ 0 0 3 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.806 115.3 37.1 -61.1 -28.1 -5.7 -10.7 10.2 35 59 A R T X<5S- 0 0 41 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.3 0.014 116.2-107.6-116.7 29.5 -2.1 -11.0 8.9 36 60 A D T < 5S- 0 0 117 -3,-1.6 -3,-0.2 1,-0.3 3,-0.1 0.812 74.3 -61.1 53.8 35.9 -2.7 -13.2 5.8 37 61 A F T 3 - 0 0 76 -3,-2.0 4,-2.2 -6,-0.4 -1,-0.3 -0.805 36.4-156.3 -80.8 112.1 2.2 -14.6 8.0 39 63 A L H > S+ 0 0 40 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.911 86.2 49.4 -62.9 -44.3 3.2 -16.4 11.2 40 64 A D H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 114.1 45.4 -64.2 -42.8 5.6 -13.8 12.4 41 65 A L H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 111.8 51.9 -70.0 -32.5 3.2 -10.9 11.9 42 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.867 109.3 50.5 -70.6 -36.7 0.3 -12.9 13.5 43 67 A W H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.876 109.7 49.9 -64.1 -42.9 2.5 -13.6 16.6 44 68 A R H X S+ 0 0 128 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 112.6 47.8 -63.1 -43.5 3.4 -9.9 16.9 45 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 110.9 51.4 -62.0 -42.6 -0.3 -9.0 16.7 46 70 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.954 111.3 46.4 -61.8 -50.2 -1.2 -11.7 19.3 47 71 A K H X S+ 0 0 104 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.907 113.3 50.1 -57.8 -40.8 1.4 -10.4 21.7 48 72 A N H X S+ 0 0 32 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.870 105.9 57.0 -66.1 -35.9 0.2 -6.8 21.2 49 73 A Y H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.931 111.4 41.0 -62.5 -49.4 -3.4 -7.8 21.7 50 74 A Y H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.879 114.6 52.6 -64.6 -39.2 -2.6 -9.2 25.2 51 75 A K H X S+ 0 0 103 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.946 109.4 49.4 -60.0 -48.1 -0.3 -6.3 26.0 52 76 A W H X S+ 0 0 10 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.890 112.2 48.7 -58.3 -42.3 -3.1 -3.9 25.0 53 77 A R H < S+ 0 0 31 -4,-1.9 3,-0.3 1,-0.2 7,-0.2 0.924 110.6 49.6 -64.9 -44.1 -5.5 -5.7 27.3 54 78 A A H < S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.775 111.8 50.2 -65.5 -27.3 -3.1 -5.8 30.2 55 79 A E H < S+ 0 0 111 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 115.1 41.2 -80.8 -28.9 -2.5 -2.0 29.8 56 80 A C >X + 0 0 1 -4,-1.3 4,-2.7 -3,-0.3 3,-1.2 -0.502 54.4 152.6-127.1 60.1 -6.2 -1.0 29.7 57 81 A P H 3>>S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.6 0.875 75.9 68.2 -44.9 -41.4 -8.2 -3.0 32.3 58 82 A E H 345S+ 0 0 82 1,-0.2 4,-0.2 -3,-0.2 52,-0.1 0.834 115.2 22.5 -52.7 -38.7 -10.5 0.0 32.2 59 83 A I H <45S+ 0 0 0 -3,-1.2 -1,-0.2 -6,-0.1 54,-0.1 0.785 132.5 37.7 -95.0 -34.6 -11.6 -0.7 28.7 60 84 A S H <5S+ 0 0 5 -4,-2.7 191,-0.2 -7,-0.2 -2,-0.2 0.585 98.2 67.8-108.4 -16.7 -10.9 -4.4 28.3 61 85 A A T <5S+ 0 0 37 -4,-2.5 190,-3.2 -5,-0.3 2,-0.8 0.948 103.0 42.7 -73.8 -47.5 -11.7 -6.2 31.6 62 86 A D < + 0 0 70 -5,-0.6 -1,-0.2 188,-0.2 185,-0.1 -0.872 52.5 160.2-106.5 104.4 -15.5 -5.7 31.6 63 87 A L + 0 0 0 -2,-0.8 -1,-0.1 183,-0.4 184,-0.1 0.211 35.9 130.5-106.0 10.4 -17.0 -6.4 28.2 64 88 A H > - 0 0 22 1,-0.1 3,-0.7 182,-0.1 4,-0.3 -0.467 60.0-139.1 -54.3 128.8 -20.2 -6.9 29.9 65 89 A P G >> S+ 0 0 5 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.645 84.6 87.3 -72.3 -14.4 -22.7 -4.7 28.0 66 90 A R G >4 S+ 0 0 114 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.826 82.7 57.9 -57.9 -35.4 -24.5 -3.3 31.1 67 91 A S G <4 S+ 0 0 48 -3,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.886 118.7 29.0 -63.7 -39.3 -22.1 -0.4 31.6 68 92 A I G <> S+ 0 0 1 -3,-0.7 4,-1.9 -4,-0.3 -1,-0.2 0.204 83.1 106.4-113.2 17.3 -22.7 1.0 28.1 69 93 A I H S+ 0 0 29 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.906 103.8 48.2 -58.3 -43.6 -27.1 3.6 28.0 71 95 A L H 4>S+ 0 0 1 2,-0.2 5,-1.9 1,-0.2 4,-0.3 0.888 111.9 48.8 -63.9 -43.9 -24.9 4.7 25.1 72 96 A L H ><5S+ 0 0 3 -4,-1.9 3,-1.3 1,-0.2 5,-0.2 0.907 111.0 50.4 -60.6 -43.1 -26.4 2.1 22.8 73 97 A K H 3<5S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.818 103.2 60.8 -65.9 -27.2 -29.9 3.2 23.8 74 98 A A T 3<5S- 0 0 49 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.581 119.8-110.6 -75.9 -10.3 -28.9 6.8 23.1 75 99 A G T < 5S+ 0 0 8 -3,-1.3 -3,-0.2 -4,-0.3 22,-0.1 0.728 72.1 139.8 86.7 25.7 -28.2 5.8 19.5 76 100 A Y < + 0 0 4 -5,-1.9 18,-2.6 21,-0.3 2,-0.4 0.810 65.3 19.5 -63.6 -32.6 -24.4 6.2 19.5 77 101 A H E +A 93 0A 0 -5,-0.2 2,-0.3 16,-0.2 16,-0.2 -0.989 53.3 160.0-154.2 130.0 -23.7 3.1 17.4 78 102 A G E -A 92 0A 0 14,-1.9 14,-2.9 -2,-0.4 2,-0.4 -0.975 28.0-130.2-144.7 168.7 -25.0 0.5 15.0 79 103 A V E -A 91 0A 9 152,-0.6 12,-0.2 -2,-0.3 156,-0.0 -0.959 32.4-113.2-117.0 130.1 -23.6 -2.0 12.4 80 104 A L - 0 0 3 10,-2.7 10,-0.3 -2,-0.4 137,-0.1 -0.274 14.2-134.6 -61.2 147.9 -25.0 -2.1 8.9 81 105 A R S S+ 0 0 132 135,-0.2 2,-0.2 8,-0.1 -1,-0.1 0.889 88.4 53.2 -67.2 -42.5 -27.0 -5.2 7.9 82 106 A S S S- 0 0 67 134,-0.3 8,-0.4 1,-0.1 2,-0.1 -0.652 82.3-124.0-100.2 154.6 -25.1 -5.5 4.5 83 107 A R - 0 0 70 -2,-0.2 6,-0.2 1,-0.1 -2,-0.1 -0.445 34.2-102.1 -82.8 163.2 -21.4 -5.6 3.8 84 108 A D > - 0 0 13 4,-2.0 3,-2.4 -2,-0.1 -1,-0.1 -0.231 51.1 -80.7 -80.1 176.9 -19.7 -3.1 1.4 85 109 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 0.706 132.2 45.2 -54.6 -23.3 -18.9 -4.1 -2.2 86 110 A T T 3 S- 0 0 84 42,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.294 123.5 -98.8-105.5 8.8 -15.6 -5.9 -1.1 87 111 A G S < S+ 0 0 14 -3,-2.4 41,-0.3 1,-0.3 2,-0.2 0.523 70.3 149.4 94.9 6.8 -17.2 -7.7 1.9 88 112 A S - 0 0 0 40,-0.1 -4,-2.0 39,-0.1 -1,-0.3 -0.469 50.4-119.2 -71.9 143.1 -16.2 -5.5 4.8 89 113 A K E - b 0 130A 27 40,-2.1 42,-2.6 -6,-0.2 2,-0.5 -0.627 30.5-141.8 -70.8 140.8 -18.4 -5.1 7.8 90 114 A V E - b 0 131A 0 -8,-0.4 -10,-2.7 -2,-0.3 2,-0.3 -0.947 16.9-170.5-117.2 122.7 -19.5 -1.4 8.1 91 115 A L E -Ab 79 132A 4 40,-2.6 42,-2.9 -2,-0.5 2,-0.4 -0.860 5.4-157.3-112.0 141.3 -19.9 0.2 11.5 92 116 A I E -Ab 78 133A 0 -14,-2.9 -14,-1.9 -2,-0.3 2,-0.4 -0.975 8.5-176.2-123.4 138.0 -21.4 3.7 12.2 93 117 A Y E -Ab 77 134A 7 40,-2.4 42,-2.9 -2,-0.4 2,-0.5 -0.992 9.5-157.7-132.3 136.2 -20.7 5.9 15.2 94 118 A R E > - b 0 135A 28 -18,-2.6 3,-2.2 -2,-0.4 42,-0.2 -0.900 7.2-165.1-124.9 103.5 -22.4 9.2 16.0 95 119 A I G > S+ 0 0 6 40,-1.9 3,-2.2 -2,-0.5 41,-0.1 0.803 88.3 67.5 -49.3 -36.1 -20.6 11.7 18.3 96 120 A A G 3 S+ 0 0 62 39,-0.5 -1,-0.3 41,-0.4 -20,-0.1 0.723 98.4 53.5 -63.9 -18.9 -23.9 13.7 18.7 97 121 A H G < S+ 0 0 66 -3,-2.2 2,-0.6 -22,-0.1 -21,-0.3 0.240 88.7 89.4-103.9 11.4 -25.3 10.7 20.6 98 122 A W < - 0 0 9 -3,-2.2 -27,-0.0 -23,-0.1 -1,-0.0 -0.953 63.6-159.2-104.8 108.4 -22.4 10.5 23.1 99 123 A D >> - 0 0 69 -2,-0.6 4,-2.6 1,-0.1 3,-1.9 -0.813 0.9-162.3 -85.7 109.0 -23.1 12.7 26.1 100 124 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.505 87.2 64.8 -77.5 -1.9 -19.7 13.3 27.6 101 125 A K T 34 S+ 0 0 154 3,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.576 116.3 29.2 -82.2 -13.3 -21.3 14.4 31.0 102 126 A V T <4 S+ 0 0 89 -3,-1.9 2,-0.4 1,-0.3 -31,-0.1 0.726 121.4 41.6-118.0 -39.4 -22.6 10.8 31.3 103 127 A F S < S- 0 0 30 -4,-2.6 -1,-0.3 -33,-0.1 2,-0.1 -0.960 72.1-137.1-120.8 132.2 -20.1 8.5 29.5 104 128 A T > - 0 0 57 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.361 30.6-107.0 -77.0 163.8 -16.3 8.6 29.6 105 129 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 124.1 56.0 -57.0 -34.3 -14.1 8.2 26.6 106 130 A Y H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 105.6 49.5 -64.9 -41.3 -13.2 4.8 28.1 107 131 A D H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.925 113.5 47.4 -58.3 -45.8 -16.9 3.8 28.2 108 132 A V H X S+ 0 0 11 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.910 110.3 50.8 -65.1 -41.0 -17.1 4.9 24.5 109 133 A F H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.916 104.1 60.1 -59.8 -42.0 -14.0 3.0 23.6 110 134 A R H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.860 96.7 60.9 -56.8 -34.8 -15.5 -0.1 25.3 111 135 A V H X S+ 0 0 1 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.939 106.5 44.9 -57.7 -47.3 -18.4 0.0 22.8 112 136 A S H X S+ 0 0 24 -4,-1.1 4,-2.9 -3,-0.4 -1,-0.2 0.884 112.3 52.1 -64.9 -38.2 -16.0 -0.5 19.9 113 137 A L H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 111.0 47.5 -61.8 -42.8 -14.2 -3.3 21.8 114 138 A I H X S+ 0 0 1 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.956 114.9 44.4 -66.2 -51.2 -17.4 -5.1 22.4 115 139 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.931 113.7 52.3 -57.1 -45.0 -18.6 -4.7 18.8 116 140 A S H X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.888 107.4 50.7 -61.4 -42.2 -15.1 -5.7 17.6 117 141 A E H < S+ 0 0 1 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.798 114.4 46.0 -65.2 -27.9 -15.1 -8.9 19.7 118 142 A L H >< S+ 0 0 7 -4,-1.6 3,-1.3 -3,-0.2 -2,-0.2 0.944 114.7 42.9 -78.7 -48.3 -18.5 -9.9 18.3 119 143 A I H >< S+ 0 0 1 -4,-2.9 3,-1.8 1,-0.3 6,-0.3 0.771 100.0 70.7 -75.6 -21.2 -17.9 -9.2 14.6 120 144 A V T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.709 84.8 71.6 -65.8 -17.1 -14.4 -10.8 14.6 121 145 A Q T < S+ 0 0 95 -3,-1.3 2,-0.6 -4,-0.2 -1,-0.3 0.675 79.1 90.0 -71.0 -16.5 -16.1 -14.2 15.0 122 146 A E X> - 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0 0 67 -2,-0.3 4,-2.4 -35,-0.2 5,-0.2 -0.344 28.7-111.5 -67.2 157.8 1.3 3.9 10.1 192 216 A E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 117.0 60.7 -61.3 -38.8 1.4 5.2 6.5 193 217 A K H 4 S+ 0 0 140 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.927 110.3 38.0 -49.4 -52.4 -1.0 2.2 5.6 194 218 A I H >4 S+ 0 0 6 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.890 110.8 59.8 -72.0 -38.1 -3.7 3.4 8.0 195 219 A K H >< S+ 0 0 41 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.923 103.6 52.4 -55.5 -43.6 -3.2 7.0 7.3 196 220 A E T 3< S+ 0 0 137 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.602 106.5 55.1 -66.0 -12.4 -3.9 6.4 3.6 197 221 A R T < S+ 0 0 72 -3,-1.8 -27,-2.7 -4,-0.3 2,-0.6 0.319 84.9 96.6-107.5 7.9 -7.2 4.6 4.6 198 222 A I E < -d 170 0A 23 -3,-1.5 2,-0.5 -4,-0.3 -27,-0.2 -0.873 58.2-162.9 -96.8 125.4 -8.6 7.5 6.6 199 223 A H E -d 171 0A 58 -29,-3.5 -27,-3.2 -2,-0.6 2,-0.7 -0.926 8.6-161.0-112.2 128.8 -11.0 9.7 4.6 200 224 A M E +d 172 0A 95 -2,-0.5 -27,-0.2 -29,-0.2 -29,-0.1 -0.893 16.0 172.5-111.5 105.1 -11.9 13.2 5.8 201 225 A H E - 0 0 29 -29,-3.2 3,-0.4 -2,-0.7 -28,-0.2 0.802 21.8-154.9 -95.5 -28.9 -15.1 14.0 4.0 202 226 A G E -d 173 0A 23 -30,-0.6 -28,-2.8 1,-0.2 3,-0.3 -0.371 48.8 -46.8 86.0-170.7 -16.1 17.2 5.6 203 227 A N S S+ 0 0 106 1,-0.2 2,-0.6 -28,-0.2 -1,-0.2 0.661 133.4 60.4 -79.4 -17.5 -19.5 18.6 5.9 204 228 A N + 0 0 127 -3,-0.4 4,-0.3 1,-0.1 -1,-0.2 -0.667 68.7 131.9-100.9 72.3 -20.3 17.9 2.2 205 229 A Y > + 0 0 23 -2,-0.6 4,-2.7 -3,-0.3 5,-0.3 0.524 33.6 94.8 -99.3 -11.5 -19.8 14.2 2.5 206 230 A K H > S+ 0 0 79 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.908 84.2 46.1 -63.5 -49.5 -22.8 12.7 0.8 207 231 A Q H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 118.6 41.2 -59.5 -49.4 -21.5 12.1 -2.8 208 232 A S H > S+ 0 0 38 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.898 114.1 52.5 -66.4 -39.6 -18.3 10.5 -1.7 209 233 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.954 109.9 48.8 -61.1 -47.3 -19.9 8.5 1.1 210 234 A L H < S+ 0 0 63 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.845 106.6 57.8 -59.6 -35.6 -22.5 7.0 -1.3 211 235 A Q H < S+ 0 0 151 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.878 112.5 39.6 -61.9 -37.9 -19.6 6.2 -3.7 212 236 A H H < S+ 0 0 72 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.756 128.7 30.9 -82.4 -25.1 -18.0 4.0 -1.1 213 237 A F S >X S- 0 0 1 -4,-1.9 3,-0.9 -5,-0.2 4,-0.5 -0.513 78.8-177.3-135.4 65.0 -21.2 2.5 0.4 214 238 A P T 34 - 0 0 49 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.396 67.5 -6.0 -69.8 139.0 -23.8 2.2 -2.4 215 239 A D T 34 S+ 0 0 144 1,-0.1 9,-0.1 7,-0.1 -5,-0.0 0.447 118.2 78.6 64.5 3.5 -27.3 0.9 -1.6 216 240 A I T <4 + 0 0 19 -3,-0.9 -134,-0.3 -6,-0.1 -135,-0.2 0.402 63.8 103.0-122.0 0.4 -26.5 0.1 2.1 217 241 A L S < S- 0 0 1 -4,-0.5 8,-0.5 1,-0.1 7,-0.4 -0.485 72.6-103.3 -87.4 158.0 -26.6 3.3 4.1 218 242 A P > > - 0 0 0 0, 0.0 5,-2.4 0, 0.0 3,-1.5 -0.308 37.5-102.0 -65.4 161.2 -29.3 4.5 6.4 219 243 A L G > 5S+ 0 0 89 7,-2.5 3,-1.6 1,-0.3 8,-0.1 0.819 119.2 66.1 -48.1 -40.8 -31.7 7.3 5.2 220 244 A E G 3 5S+ 0 0 81 1,-0.3 -1,-0.3 6,-0.2 7,-0.1 0.783 107.8 38.9 -58.0 -27.8 -29.8 9.8 7.3 221 245 A Y G < 5S- 0 0 5 -3,-1.5 -1,-0.3 -12,-0.0 -2,-0.2 0.134 133.7 -79.6-115.9 17.0 -26.7 9.4 5.0 222 246 A G T < 5S+ 0 0 24 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.369 87.9 129.5 105.3 -0.9 -28.5 9.1 1.7 223 247 A G < - 0 0 14 -5,-2.4 -1,-0.3 3,-0.1 -7,-0.0 -0.102 51.5-136.8 -74.3-175.3 -29.6 5.5 1.7 224 248 A E S S+ 0 0 169 -7,-0.4 -1,-0.1 -9,-0.1 3,-0.1 0.548 76.3 41.7-125.9 -10.0 -33.2 4.6 0.9 225 249 A E S S+ 0 0 152 -8,-0.5 2,-0.2 1,-0.2 -9,-0.0 0.864 98.7 27.5-114.9 -63.9 -34.6 1.9 3.2 226 250 A F - 0 0 12 -9,-0.3 -7,-2.5 1,-0.0 -1,-0.2 -0.672 64.4-120.8-117.5 165.2 -33.9 2.0 7.0 227 251 A S > - 0 0 23 -9,-0.2 4,-1.9 -2,-0.2 5,-0.2 -0.558 25.3-115.7-101.5 160.6 -33.1 4.6 9.6 228 252 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 118.2 58.2 -57.6 -39.4 -30.2 4.9 11.9 229 253 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 104.5 50.7 -60.2 -41.9 -32.5 4.3 14.8 230 254 A D H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 113.7 44.8 -56.4 -50.7 -33.5 0.9 13.3 231 255 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -152,-0.6 0.870 113.2 50.0 -67.0 -38.9 -29.9 -0.1 12.9 232 256 A C H X S+ 0 0 4 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.924 111.9 47.6 -62.4 -46.5 -29.0 1.1 16.4 233 257 A Q H X S+ 0 0 105 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 111.6 50.9 -65.6 -40.3 -31.8 -0.8 18.0 234 258 A E H X S+ 0 0 79 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.895 112.7 44.6 -66.1 -40.7 -31.0 -4.0 16.1 235 259 A W H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.882 111.4 54.8 -72.0 -36.7 -27.3 -3.9 17.1 236 260 A T H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 108.4 48.4 -55.7 -47.8 -28.3 -3.0 20.7 237 261 A N H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.0 50.5 -61.4 -41.7 -30.5 -6.1 20.8 238 262 A F H X S+ 0 0 91 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.918 110.5 49.2 -64.7 -43.6 -27.8 -8.3 19.5 239 263 A I H < S+ 0 0 2 -4,-2.5 3,-0.5 2,-0.2 -2,-0.2 0.929 110.8 49.9 -61.8 -46.7 -25.3 -7.0 22.0 240 264 A M H >< S+ 0 0 86 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.903 110.0 50.7 -58.1 -41.5 -27.7 -7.6 24.9 241 265 A K H 3< S+ 0 0 163 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.767 105.8 58.5 -65.4 -23.7 -28.3 -11.2 23.6 242 266 A S T 3X S+ 0 0 15 -4,-1.2 4,-2.7 -3,-0.5 3,-0.4 0.266 70.1 115.8 -87.1 12.3 -24.5 -11.6 23.5 243 267 A E H <> S+ 0 0 78 -3,-1.4 4,-1.4 1,-0.3 -1,-0.2 0.774 77.2 45.6 -59.3 -28.1 -24.2 -10.9 27.3 244 268 A D H > S+ 0 0 116 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.770 110.5 49.4 -94.2 -31.3 -22.9 -14.4 28.1 245 269 A Y H > S+ 0 0 52 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.938 115.5 47.4 -61.0 -44.9 -20.4 -14.7 25.3 246 270 A L H < S+ 0 0 0 -4,-2.7 -183,-0.4 1,-0.2 -2,-0.2 0.842 111.3 50.3 -68.0 -33.0 -19.2 -11.2 26.4 247 271 A S H >< S+ 0 0 52 -4,-1.4 3,-1.2 -5,-0.3 -1,-0.2 0.879 103.8 59.8 -68.8 -38.3 -19.1 -12.4 30.0 248 272 A S H 3< S+ 0 0 66 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.779 111.8 39.8 -61.5 -27.2 -17.2 -15.5 29.0 249 273 A I T 3< S+ 0 0 6 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.292 97.3 104.7-107.6 9.9 -14.4 -13.3 27.7 250 274 A S < 0 0 4 -3,-1.2 -188,-0.2 -5,-0.1 -189,-0.1 -0.629 360.0 360.0 -86.8 149.1 -14.5 -10.7 30.5 251 275 A E 0 0 164 -190,-3.2 -189,-0.1 -191,-0.2 -3,-0.0 -0.330 360.0 360.0 63.6 360.0 -12.0 -10.3 33.4