==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/VIRAL PROTEIN 28-JUL-02 1M9E . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HOWARD,F.F.VAJDOS,S.LI,W.I.SUNDQUIST,C.P.HILL . 607 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 16.1 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 0 1 3 4 0 0 2 1 1 0 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 7 4 0 0 2 2 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 . 1 0 0 0 0 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 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 1 A M 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.2 12.2 74.4 58.8 2 2 A V + 0 0 108 1,-0.1 24,-0.0 2,-0.1 0, 0.0 0.885 360.0 63.6 -73.0 -46.9 13.5 74.2 55.3 3 3 A N S S- 0 0 17 23,-0.1 22,-0.1 22,-0.1 -1,-0.1 -0.760 81.2-143.0 -87.7 116.1 15.3 70.9 55.9 4 4 A P - 0 0 19 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.376 5.3-139.1 -72.3 166.0 13.0 68.0 56.7 5 5 A T E -A 23 0A 19 159,-0.6 159,-2.0 18,-0.2 2,-0.3 -0.963 19.0-171.3-124.9 132.9 13.9 65.3 59.2 6 6 A V E -AB 22 163A 0 16,-1.7 16,-2.4 -2,-0.4 2,-0.3 -0.908 6.0-152.2-120.2 148.7 13.1 61.6 58.5 7 7 A F E -AB 21 162A 20 155,-2.8 155,-1.6 -2,-0.3 2,-0.4 -0.931 7.0-164.0-124.0 151.5 13.3 58.5 60.8 8 8 A F E -AB 20 161A 0 12,-2.7 12,-3.0 -2,-0.3 2,-0.7 -0.992 12.0-150.4-122.2 135.5 13.8 54.9 60.2 9 9 A D E -AB 19 160A 42 151,-3.1 150,-1.6 -2,-0.4 151,-1.3 -0.943 24.5-148.9-102.3 113.4 13.0 52.4 62.9 10 10 A I E -AB 18 158A 3 8,-2.8 7,-3.5 -2,-0.7 8,-1.1 -0.636 16.2-174.4 -89.7 133.1 15.4 49.5 62.3 11 11 A A E -AB 16 157A 4 146,-2.3 146,-2.0 -2,-0.3 2,-0.5 -0.923 17.0-144.6-123.1 153.3 14.7 45.9 63.1 12 12 A V E > S-AB 15 156A 4 3,-3.1 3,-2.9 -2,-0.3 144,-0.2 -0.963 85.6 -23.7-121.4 111.6 16.9 42.8 62.9 13 13 A D T 3 S- 0 0 75 142,-3.0 -1,-0.2 -2,-0.5 143,-0.1 0.918 130.6 -49.8 47.8 46.1 15.1 39.6 61.8 14 14 A G T 3 S+ 0 0 62 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.233 115.4 120.3 86.3 -12.6 12.0 41.4 63.1 15 15 A E E < S-A 12 0A 105 -3,-2.9 -3,-3.1 1,-0.1 -1,-0.2 -0.735 71.5-109.8 -86.6 129.9 13.5 42.3 66.5 16 16 A P E +A 11 0A 125 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.304 38.2 173.9 -63.6 138.5 13.6 46.1 67.1 17 17 A L E - 0 0 57 -7,-3.5 2,-0.3 1,-0.3 -6,-0.2 0.790 47.1 -78.0-109.1 -63.9 17.1 47.6 67.0 18 18 A G E -A 10 0A 23 -8,-1.1 -8,-2.8 2,-0.0 2,-0.4 -0.967 43.3 -79.1 174.7 178.1 16.7 51.4 67.3 19 19 A R E -A 9 0A 107 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.857 27.3-165.5-100.1 139.9 15.8 54.5 65.5 20 20 A V E -A 8 0A 1 -12,-3.0 -12,-2.7 -2,-0.4 2,-0.3 -0.987 8.0-164.3-120.7 140.1 17.9 56.5 63.2 21 21 A S E -A 7 0A 8 113,-2.5 112,-2.8 -2,-0.4 2,-0.4 -0.837 3.9-159.4-118.5 154.7 17.0 60.1 62.2 22 22 A F E -AC 6 132A 0 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.5 -0.984 15.6-140.3-138.1 133.4 18.4 62.0 59.2 23 23 A E E -AC 5 131A 71 108,-2.9 108,-1.9 -2,-0.4 2,-0.5 -0.901 25.1-149.8 -83.5 128.8 18.5 65.7 58.4 24 24 A L E - C 0 130A 0 -20,-2.7 2,-2.2 -2,-0.5 3,-0.3 -0.894 10.5-133.0-104.9 126.4 17.8 66.0 54.6 25 25 A F >> + 0 0 37 104,-2.3 4,-3.0 -2,-0.5 3,-2.2 -0.319 42.9 154.6 -80.7 74.3 19.5 69.0 52.9 26 26 A A T 34 + 0 0 21 -2,-2.2 -1,-0.2 1,-0.3 -23,-0.1 0.770 69.9 68.4 -67.1 -26.4 16.6 70.4 50.9 27 27 A D T 34 S+ 0 0 79 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.591 116.1 21.9 -70.8 -6.0 18.5 73.6 51.1 28 28 A K T <4 S+ 0 0 90 -3,-2.2 -2,-0.2 101,-0.1 -1,-0.1 0.629 140.4 21.0-122.4 -35.3 21.2 72.3 48.8 29 29 A V X + 0 0 0 -4,-3.0 4,-2.7 1,-0.1 5,-0.2 -0.567 66.3 164.9-136.4 70.0 19.6 69.4 47.0 30 30 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.847 74.3 52.0 -62.3 -37.9 15.9 69.8 47.1 31 31 A K H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.914 114.7 42.1 -64.3 -38.5 14.9 67.3 44.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.911 115.5 49.4 -72.1 -46.6 16.9 64.5 46.0 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -8,-0.2 -2,-0.2 0.915 109.2 52.3 -54.5 -50.7 15.8 65.4 49.5 34 34 A E H X S+ 0 0 67 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.916 107.7 53.1 -58.4 -35.8 12.2 65.5 48.4 35 35 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.937 113.6 41.1 -60.2 -49.2 12.5 62.0 46.8 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.916 114.8 52.0 -70.7 -41.2 13.9 60.4 50.0 37 37 A R H X S+ 0 0 27 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.953 113.0 44.1 -60.3 -49.2 11.5 62.3 52.2 38 38 A A H X>S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 5,-0.8 0.886 112.3 51.4 -67.4 -32.9 8.4 61.2 50.2 39 39 A L H <5S+ 0 0 0 -4,-2.2 9,-1.8 -5,-0.3 10,-0.5 0.846 108.6 55.3 -69.6 -30.8 9.6 57.6 50.0 40 40 A S H <5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.723 110.9 42.3 -73.2 -32.0 10.1 57.7 53.8 41 41 A T H <5S- 0 0 47 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.662 98.0-132.7 -85.2 -26.4 6.5 58.7 54.4 42 42 A G T ><5 + 0 0 35 -4,-1.2 3,-1.8 4,-0.3 -3,-0.2 0.571 61.4 138.7 86.6 5.6 4.8 56.4 51.9 43 43 A E T 3 < + 0 0 99 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.672 65.3 56.8 -59.3 -17.9 2.8 59.4 50.7 44 44 A K T 3 S- 0 0 98 -6,-0.6 -1,-0.3 2,-0.5 3,-0.1 0.477 123.0-102.2 -88.1 -3.4 3.2 58.3 47.1 45 45 A G S < S+ 0 0 72 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.361 99.9 48.6 95.9 2.0 1.7 54.9 47.7 46 46 A F + 0 0 59 32,-0.0 -2,-0.5 0, 0.0 2,-0.3 -0.952 63.6 109.4-159.5 166.0 5.0 53.1 47.8 47 47 A G S S- 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 71.1 -32.3 151.6-153.7 8.4 53.6 49.5 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.7 -2,-0.3 110,-0.3 0.667 80.9 115.9 -86.4 -13.5 10.9 52.4 52.2 49 49 A K T 3 S+ 0 0 136 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.262 92.1 10.1 -55.7 121.8 8.6 51.0 54.9 50 50 A G T 3 S+ 0 0 51 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.378 100.2 125.9 99.2 -17.5 9.3 47.3 55.0 51 51 A S < - 0 0 0 -3,-2.7 107,-2.9 107,-0.2 -1,-0.3 -0.209 49.7-129.8 -81.0 172.5 12.3 47.4 52.8 52 52 A C B -D 157 0A 30 14,-0.3 2,-0.9 105,-0.2 13,-0.5 -0.769 15.9-114.8-129.3 157.2 15.7 46.0 53.8 53 53 A F + 0 0 2 103,-2.7 103,-0.4 -2,-0.3 11,-0.3 -0.924 38.3 179.5 -89.5 104.3 19.4 47.0 53.8 54 54 A H + 0 0 37 -2,-0.9 2,-0.4 9,-0.5 98,-0.3 0.553 62.2 40.2 -88.5 -12.9 20.6 44.5 51.3 55 55 A R E +E 63 0A 49 8,-1.5 8,-3.1 96,-0.1 2,-0.5 -0.902 61.2 169.2-142.2 111.0 24.2 45.4 51.1 56 56 A I E -E 62 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.3 -0.984 8.4-174.4-129.1 123.1 26.3 46.3 54.3 57 57 A I E >> -E 61 0A 12 4,-2.7 3,-2.2 -2,-0.5 4,-1.1 -0.923 27.7-127.1-121.6 104.2 30.0 46.5 54.1 58 58 A P T 34 S+ 0 0 59 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.233 93.9 18.1 -50.7 143.1 31.6 47.1 57.5 59 59 A G T 34 S+ 0 0 51 1,-0.1 59,-0.0 57,-0.1 56,-0.0 0.484 129.8 51.3 66.1 8.0 34.0 50.1 57.6 60 60 A F T <4 S- 0 0 2 -3,-2.2 56,-2.7 1,-0.1 57,-0.6 0.523 105.7 -49.5-129.8 -77.0 32.4 51.5 54.4 61 61 A M E < -EF 57 115A 0 -4,-1.1 -4,-2.7 54,-0.3 2,-0.5 -0.994 27.4-120.1-162.0 165.3 28.6 51.8 54.3 62 62 A C E -EF 56 114A 0 52,-2.0 52,-2.6 -2,-0.3 2,-0.4 -0.964 34.0-165.0-107.3 123.8 25.0 50.5 54.7 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.5 -2,-0.5 -9,-0.5 -0.905 23.0 131.7-114.0 138.9 22.9 50.5 51.4 64 64 A G E + F 0 112A 0 48,-2.2 48,-1.9 -2,-0.4 -11,-0.2 -0.657 18.5 107.7-151.5-158.3 19.2 50.1 51.1 65 65 A G + 0 0 0 -13,-0.5 2,-1.4 46,-0.3 11,-0.4 0.455 42.8 128.5 90.7 13.0 16.1 51.5 49.5 66 66 A D > + 0 0 1 -14,-0.5 4,-1.0 1,-0.2 -14,-0.3 -0.740 22.6 159.1 -97.0 82.2 15.4 48.9 46.8 67 67 A F T 4 + 0 0 25 -2,-1.4 -1,-0.2 2,-0.1 -20,-0.2 0.340 66.1 52.5 -89.5 7.2 11.8 48.4 47.8 68 68 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.744 128.9 11.0-109.2 -39.5 10.7 46.9 44.5 69 69 A R T 4 S- 0 0 152 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.562 81.5-144.5-115.9 -13.3 13.3 44.1 44.1 70 70 A H S < S+ 0 0 97 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.689 82.0 72.5 60.9 21.0 15.0 43.9 47.5 71 71 A N S S- 0 0 79 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.248 112.0 -89.0-149.3 6.9 18.4 43.0 46.1 72 72 A G S S+ 0 0 8 -6,-0.1 480,-0.9 479,-0.1 39,-0.1 0.233 108.3 89.0 102.5 -19.8 19.9 46.0 44.4 73 73 A T S S+ 0 0 103 478,-0.1 2,-0.0 -7,-0.1 477,-0.0 0.652 87.4 49.4 -91.9 -12.2 18.6 45.6 41.0 74 74 A G + 0 0 16 -8,-0.1 37,-0.2 478,-0.0 36,-0.2 0.021 51.7 122.9-102.0-151.9 15.4 47.6 41.7 75 75 A G - 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0 0 51 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.917 57.5 -43.3 -61.2 -54.2 21.3 67.3 41.1 87 87 A N - 0 0 34 -3,-0.1 -1,-0.3 -58,-0.1 41,-0.2 -0.942 35.1-133.3-158.6 172.6 24.7 68.5 42.2 88 88 A F + 0 0 84 -2,-0.3 38,-0.1 -3,-0.1 37,-0.0 -0.176 63.3 121.0-122.7 41.4 27.8 67.4 43.9 89 89 A I + 0 0 111 39,-0.1 2,-0.2 -61,-0.1 -1,-0.1 0.920 61.6 67.2 -67.4 -46.0 28.3 70.3 46.3 90 90 A L S S- 0 0 43 38,-0.3 38,-0.5 -3,-0.1 2,-0.3 -0.526 76.8-143.4 -80.6 148.3 28.1 68.3 49.5 91 91 A K - 0 0 133 -2,-0.2 2,-1.4 32,-0.1 29,-0.1 -0.692 21.4-111.0-117.6 157.5 31.0 65.9 50.3 92 92 A H + 0 0 1 -2,-0.3 27,-0.5 27,-0.2 31,-0.1 -0.699 50.9 159.7 -83.6 85.4 31.3 62.5 51.9 93 93 A T - 0 0 84 -2,-1.4 25,-0.2 1,-0.2 -1,-0.2 0.416 52.4 -52.6 -94.8 -1.9 33.1 63.7 55.0 94 94 A G S > S- 0 0 5 23,-0.4 3,-1.7 -3,-0.1 23,-0.3 -0.944 84.9 -12.5 163.2-173.0 32.5 60.9 57.5 95 95 A P T 3 S+ 0 0 71 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.207 114.8 33.1 -53.5 141.5 30.2 58.6 59.3 96 96 A G T 3 S+ 0 0 2 19,-2.8 36,-2.0 1,-0.3 2,-0.2 0.253 77.3 140.3 104.6 -20.2 26.6 59.5 59.0 97 97 A I E < -G 131 0A 7 -3,-1.7 18,-3.2 34,-0.2 2,-0.5 -0.460 41.5-147.5 -64.8 140.1 26.6 60.9 55.5 98 98 A L E +GH 130 114A 0 32,-2.6 31,-3.0 16,-0.2 32,-1.4 -0.913 26.6 166.9-113.6 126.7 23.6 60.0 53.5 99 99 A S E -GH 128 113A 0 14,-2.4 14,-2.5 -2,-0.5 2,-0.3 -0.914 38.8 -95.7-140.8 156.5 24.1 59.6 49.8 100 100 A M E - 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0 0 170 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.979 360.0-116.0-134.8 134.8 54.9 44.1 29.5 478 14 D A - 0 0 63 -2,-0.4 33,-0.0 1,-0.1 36,-0.0 -0.103 53.4 -81.0 -51.3 151.7 53.2 45.8 26.5 479 15 D I - 0 0 29 1,-0.1 -1,-0.1 33,-0.1 29,-0.0 -0.289 61.8-108.3 -54.3 151.6 53.2 43.7 23.3 480 16 D S > - 0 0 42 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.444 6.0-122.1 -88.7 155.6 56.6 44.0 21.8 481 17 D P H > S+ 0 0 112 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.857 115.5 58.9 -55.7 -32.6 57.7 45.9 18.6 482 18 D R H > S+ 0 0 218 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.951 105.5 42.3 -66.7 -55.6 59.0 42.5 17.6 483 19 D T H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.902 113.8 57.2 -53.2 -37.9 55.6 40.6 17.7 484 20 D L H X S+ 0 0 30 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.944 99.7 56.4 -66.1 -42.0 54.1 43.7 16.1 485 21 D N H X S+ 0 0 93 -4,-2.7 4,-3.0 1,-0.3 5,-0.4 0.982 108.1 48.6 -49.0 -54.6 56.5 43.4 13.1 486 22 D A H X S+ 0 0 38 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.856 109.9 49.3 -50.9 -47.9 55.2 39.9 12.5 487 23 D W H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.929 111.3 53.0 -62.7 -39.0 51.6 40.9 12.7 488 24 D V H X S+ 0 0 48 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.963 109.0 46.8 -57.3 -58.4 52.5 43.7 10.3 489 25 D K H X S+ 0 0 112 -4,-3.0 4,-1.0 1,-0.2 5,-0.3 0.789 111.3 54.2 -57.0 -31.7 54.1 41.3 7.8 490 26 D V H >X S+ 0 0 21 -4,-1.8 4,-3.3 -5,-0.4 3,-0.7 0.978 110.2 42.9 -67.0 -48.2 51.1 39.1 8.1 491 27 D V H 3< S+ 0 0 7 -4,-2.5 4,-0.5 1,-0.3 -2,-0.2 0.895 104.8 67.5 -67.5 -34.0 48.5 41.7 7.3 492 28 D E H 3< S+ 0 0 113 -4,-2.6 -1,-0.3 -5,-0.3 3,-0.2 0.891 122.0 13.4 -50.8 -39.9 50.7 43.0 4.5 493 29 D E H << S+ 0 0 148 -4,-1.0 2,-0.2 -3,-0.7 -2,-0.2 0.868 131.0 48.0-109.9 -34.1 50.3 39.9 2.4 494 30 D K >< + 0 0 82 -4,-3.3 2,-1.6 -5,-0.3 3,-1.2 -0.105 68.9 157.4-100.0 39.4 47.4 38.0 4.1 495 31 D A T 3 S- 0 0 32 -4,-0.5 -4,-0.1 1,-0.3 -3,-0.0 -0.456 80.2 -16.0 -73.7 93.8 45.1 41.0 4.3 496 32 D F T 3 S+ 0 0 12 -2,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.653 95.4 126.8 84.1 32.9 42.0 39.2 4.5 497 33 D S S X S- 0 0 28 -3,-1.2 3,-1.6 1,-0.1 -1,-0.3 -0.657 78.0-100.7 -97.0 163.5 42.6 35.7 3.5 498 34 D P T > S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.815 115.6 74.1 -54.6 -24.1 41.4 33.2 6.0 499 35 D E T 3> S+ 0 0 116 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.732 78.8 72.2 -70.6 -16.3 45.0 32.7 7.3 500 36 D V H <> S+ 0 0 0 -3,-1.6 4,-2.5 -6,-0.3 -1,-0.3 0.818 90.8 61.4 -62.3 -29.2 45.0 36.1 9.1 501 37 D I H <> S+ 0 0 20 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 0.971 102.9 43.5 -70.3 -53.0 42.7 34.7 11.7 502 38 D P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.902 117.3 51.3 -55.9 -38.5 44.9 31.8 13.2 503 39 D M H X S+ 0 0 65 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.933 106.4 50.4 -65.3 -43.9 47.8 34.3 13.1 504 40 D F H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.958 110.4 53.4 -58.0 -38.6 46.0 37.0 14.9 505 41 D S H < S+ 0 0 33 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.948 111.8 42.4 -71.1 -38.7 45.1 34.4 17.6 506 42 D A H >< S+ 0 0 46 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.948 114.4 49.0 -66.6 -42.4 48.7 33.3 18.2 507 43 D L H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.701 110.5 54.3 -72.5 -17.1 50.3 36.7 18.1 508 44 D S T >< S+ 0 0 1 -4,-1.5 3,-1.7 -3,-0.3 -1,-0.3 0.336 73.9 142.7-106.7 18.0 47.7 37.9 20.5 509 45 D E T < S+ 0 0 123 -3,-1.5 -3,-0.1 1,-0.3 -4,-0.0 -0.206 78.1 2.4 -60.1 126.9 48.1 35.3 23.3 510 46 D G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.707 95.6 163.6 67.1 25.7 47.8 36.8 26.7 511 47 D A < - 0 0 7 -3,-1.7 -1,-0.2 80,-0.1 84,-0.2 -0.554 33.5-141.3 -81.3 141.0 47.0 40.1 25.3 512 48 D T > - 0 0 3 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.463 36.3-102.7 -79.9 163.8 45.4 43.0 27.3 513 49 D P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.893 123.4 58.2 -51.0 -43.9 42.8 45.1 25.4 514 50 D Q H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.975 106.2 47.6 -53.3 -44.0 45.4 47.7 25.0 515 51 D D H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 108.0 54.9 -66.6 -45.7 47.7 45.4 23.2 516 52 D L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 111.0 46.2 -49.9 -41.4 44.9 44.2 21.0 517 53 D N H X S+ 0 0 35 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.879 107.1 57.1 -72.1 -29.8 44.4 47.8 20.0 518 54 D T H X S+ 0 0 49 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.964 108.2 48.9 -63.7 -40.7 48.0 48.3 19.5 519 55 D M H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.879 112.0 47.4 -60.2 -50.6 48.0 45.5 17.0 520 56 D L H >< S+ 0 0 11 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.898 106.6 58.5 -62.2 -41.7 45.0 46.9 15.2 521 57 D N H 3< S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 93.3 65.0 -58.9 -30.9 46.5 50.4 15.1 522 58 D T T 3< S+ 0 0 51 -4,-1.6 2,-0.6 -3,-0.1 -1,-0.3 0.640 78.3 103.8 -71.2 -11.8 49.6 49.3 13.2 523 59 D V < - 0 0 23 -3,-1.7 2,-0.3 -4,-0.3 -35,-0.0 -0.633 60.5-159.6 -70.3 123.8 47.4 48.4 10.3 524 60 D G - 0 0 55 -2,-0.6 -2,-0.1 2,-0.0 -3,-0.0 -0.749 53.7 -13.3-103.6 146.0 47.7 51.1 7.7 525 61 D G S S+ 0 0 39 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.229 78.3 112.6 59.1-151.0 45.1 51.6 5.0 526 62 D H > + 0 0 79 3,-0.1 4,-2.1 1,-0.1 5,-0.3 0.852 44.7 164.4 50.3 36.9 42.6 48.9 4.6 527 63 D Q H > + 0 0 151 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.865 64.7 49.3 -51.0 -42.2 40.2 51.6 5.9 528 64 D A H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 112.2 48.0 -69.1 -38.1 36.9 49.9 4.8 529 65 D A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 109.9 51.9 -65.8 -41.9 37.9 46.6 6.3 530 66 D M H X S+ 0 0 40 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.826 107.0 54.8 -63.1 -39.2 38.9 48.2 9.6 531 67 D Q H X S+ 0 0 85 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.901 104.8 51.7 -64.0 -35.8 35.6 49.9 9.7 532 68 D M H X S+ 0 0 32 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 111.4 49.4 -63.7 -36.7 33.8 46.6 9.3 533 69 D L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.965 109.6 49.9 -67.9 -48.0 35.9 45.4 12.2 534 70 D K H X S+ 0 0 116 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.896 107.3 55.5 -53.0 -44.9 35.1 48.4 14.3 535 71 D E H X S+ 0 0 87 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.906 108.0 48.6 -53.3 -46.3 31.4 48.0 13.6 536 72 D T H X S+ 0 0 11 -4,-2.1 4,-3.2 -5,-0.2 5,-0.3 0.946 111.3 49.2 -54.0 -49.4 31.6 44.4 14.9 537 73 D I H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.921 111.1 50.7 -59.0 -44.6 33.4 45.6 18.1 538 74 D N H X S+ 0 0 90 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.897 112.4 46.1 -63.9 -40.7 30.8 48.3 18.6 539 75 D E H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 114.1 48.2 -65.1 -46.1 27.9 45.8 18.2 540 76 D E H X S+ 0 0 61 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.870 109.1 52.2 -62.4 -44.7 29.5 43.3 20.5 541 77 D A H X S+ 0 0 13 -4,-2.7 4,-2.0 -5,-0.3 24,-0.4 0.915 108.7 50.6 -61.5 -44.2 30.3 45.8 23.2 542 78 D A H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.880 109.9 51.0 -59.7 -34.5 26.7 47.0 23.2 543 79 D E H X S+ 0 0 75 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.859 107.9 53.8 -68.0 -39.2 25.5 43.4 23.6 544 80 D W H < S+ 0 0 44 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.956 107.4 48.6 -60.4 -48.1 27.8 42.9 26.4 545 81 D D H >< S+ 0 0 56 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.886 109.8 53.7 -57.4 -44.8 26.5 45.8 28.3 546 82 D R H 3< S+ 0 0 149 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.905 110.6 46.6 -52.6 -45.8 22.9 44.6 27.7 547 83 D L T 3< S+ 0 0 99 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.438 115.5 47.6 -85.9 -0.5 23.9 41.2 29.2 548 84 D H S < S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.5 2,-0.1 -0.627 72.8-170.1-142.4 74.3 25.6 42.7 32.2 549 85 D P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.420 32.3-110.1 -52.8 136.4 23.5 45.5 33.8 550 86 D V - 0 0 60 -447,-0.2 2,-0.1 -2,-0.1 11,-0.0 -0.633 28.1-124.9 -81.3 131.1 25.5 47.5 36.5 551 87 D A - 0 0 70 -2,-0.4 2,-0.2 1,-0.1 -478,-0.1 -0.333 30.0-111.4 -62.2 145.8 24.5 46.9 40.1 552 88 D A S S+ 0 0 16 -480,-0.9 -449,-0.2 -449,-0.1 -450,-0.2 -0.566 70.1 59.3 -82.1 155.1 23.6 50.0 42.0 553 89 D G S S- 0 0 12 -451,-2.6 2,-0.1 -452,-0.7 -452,-0.1 -0.377 88.0 -55.4 118.2 163.5 25.6 51.4 44.9 554 90 D P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -493,-0.1 -0.408 60.3-103.0 -81.1 144.7 29.1 52.7 45.5 555 91 D I - 0 0 68 -2,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.566 41.3-118.5 -71.5 129.5 32.0 50.4 44.6 556 92 D A > - 0 0 6 -2,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.453 37.0 -88.6 -71.4 156.1 33.4 48.9 47.7 557 93 D P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.017 115.4 18.8 -61.0 148.1 37.0 49.6 48.6 558 94 D G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.747 110.3 103.5 57.6 20.1 39.5 47.2 47.1 559 95 D Q < - 0 0 115 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.2 -0.767 61.8-137.5-122.4 165.7 36.8 46.2 44.6 560 96 D M - 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