==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 28-FEB-05 1YZ6 . COMPND 2 MOLECULE: PROBABLE TRANSLATION INITIATION FACTOR 2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR L.YATIME,E.SCHMITT,S.BLANQUET,Y.MECHULAM . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 1 0 0 0 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 5 A A 0 0 146 0, 0.0 126,-0.0 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0-109.8 -62.3 33.9 29.9 2 6 A R - 0 0 215 2,-0.1 4,-0.0 1,-0.1 0, 0.0 -0.212 360.0-101.7 -73.6 171.1 -64.8 33.0 32.7 3 7 A E S S+ 0 0 130 2,-0.0 30,-0.1 27,-0.0 -1,-0.1 0.957 94.2 38.7 -60.3 -62.2 -67.3 35.6 34.1 4 8 A Y S S- 0 0 50 1,-0.2 -2,-0.1 63,-0.0 63,-0.0 -0.578 90.0 -91.4 -98.1 158.1 -65.8 36.7 37.4 5 9 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.134 49.2 -96.7 -51.5 176.3 -62.2 37.3 38.6 6 10 A E > - 0 0 137 1,-0.1 3,-2.0 4,-0.1 2,-1.1 -0.715 43.3 -89.9-101.3 150.5 -60.2 34.6 40.1 7 11 A E T 3 S+ 0 0 119 -2,-0.3 58,-0.1 1,-0.3 -1,-0.1 -0.420 118.6 12.1 -59.9 97.6 -59.8 34.0 43.9 8 12 A G T 3 S+ 0 0 26 -2,-1.1 -1,-0.3 56,-0.8 57,-0.1 0.260 87.5 144.8 120.5 -14.8 -56.8 36.2 44.5 9 13 A E < - 0 0 54 -3,-2.0 55,-2.5 54,-0.1 2,-0.6 -0.108 50.4-126.3 -54.8 150.2 -56.4 38.2 41.2 10 14 A F E -A 63 0A 49 53,-0.2 2,-0.3 75,-0.1 53,-0.2 -0.898 43.3-175.1 -96.1 127.4 -55.1 41.8 41.4 11 15 A V E -A 62 0A 1 51,-3.8 51,-2.1 -2,-0.6 2,-0.5 -0.773 27.0-124.1-124.5 171.4 -57.8 43.7 39.6 12 16 A V E +A 61 0A 9 49,-0.3 16,-1.7 -2,-0.3 17,-0.6 -0.960 33.1 172.8-116.0 129.5 -58.6 47.2 38.3 13 17 A A E -AB 60 27A 3 47,-3.0 47,-0.7 -2,-0.5 2,-0.4 -0.994 29.9-130.2-142.4 142.1 -61.8 48.9 39.3 14 18 A T E -AB 59 26A 23 12,-2.4 12,-2.1 -2,-0.3 2,-1.2 -0.733 36.3-113.3 -88.6 131.2 -63.5 52.3 39.0 15 19 A V E + B 0 25A 1 43,-3.8 42,-3.4 -2,-0.4 43,-0.3 -0.479 44.0 170.6 -64.8 95.9 -64.9 53.7 42.2 16 20 A K E - 0 0 97 -2,-1.2 2,-0.3 8,-0.9 9,-0.2 0.997 62.0 -6.5 -69.6 -70.5 -68.6 53.6 41.4 17 21 A R E - B 0 24A 103 7,-2.1 7,-3.7 39,-0.1 2,-0.4 -0.974 64.4-173.5-131.7 144.2 -70.2 54.5 44.8 18 22 A I E + B 0 23A 13 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.998 11.8 149.9-141.8 143.7 -68.7 54.9 48.3 19 23 A H E > - B 0 22A 75 3,-3.0 3,-3.0 -2,-0.4 -2,-0.0 -0.980 58.0 -49.8-161.7 170.5 -70.0 55.5 51.8 20 24 A N T 3 S+ 0 0 129 1,-0.3 30,-0.1 -2,-0.3 3,-0.1 0.535 130.0 28.4 -5.7 -55.6 -69.6 55.0 55.6 21 25 A Y T 3 S- 0 0 93 1,-0.1 18,-1.5 18,-0.1 19,-0.4 0.633 124.6 -46.5 -97.7 -18.4 -68.8 51.3 55.4 22 26 A G E < -BC 19 38A 0 -3,-3.0 -3,-3.0 16,-0.2 2,-0.4 -0.949 52.6 -82.8-179.3-158.4 -67.3 50.8 52.0 23 27 A A E -BC 18 37A 0 14,-2.6 14,-3.2 -2,-0.3 2,-0.6 -0.995 18.2-146.8-146.4 136.1 -67.1 51.3 48.3 24 28 A F E -BC 17 36A 45 -7,-3.7 -7,-2.1 -2,-0.4 -8,-0.9 -0.903 27.5-178.6-101.5 123.6 -68.7 49.6 45.4 25 29 A L E -BC 15 35A 3 10,-3.2 10,-3.0 -2,-0.6 2,-0.5 -0.843 24.0-131.0-122.1 159.5 -66.5 49.5 42.4 26 30 A E E -BC 14 34A 45 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.6 -0.953 27.7-119.6-112.3 127.2 -67.0 48.2 38.9 27 31 A L E > -B 13 0A 0 6,-1.5 3,-1.9 -2,-0.5 -14,-0.3 -0.527 16.0-153.2 -68.3 113.4 -64.2 46.0 37.5 28 32 A D T 3 S+ 0 0 51 -16,-1.7 -1,-0.2 -2,-0.6 -15,-0.1 0.568 94.5 49.0 -64.9 -7.3 -62.9 47.7 34.4 29 33 A E T 3 S+ 0 0 68 -17,-0.6 -1,-0.3 1,-0.2 -16,-0.1 0.187 103.2 59.7-118.3 17.6 -61.9 44.4 33.0 30 34 A Y S X S- 0 0 35 -3,-1.9 3,-1.7 3,-0.2 -3,-0.2 -0.491 93.6-124.0-143.4 69.5 -65.1 42.5 33.6 31 35 A P T 3 S- 0 0 109 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 0.315 84.4 -13.9 -16.8 104.7 -67.9 44.3 31.6 32 36 A G T 3 S+ 0 0 55 1,-0.2 -4,-0.1 -5,-0.2 2,-0.0 -0.140 95.3 125.3 89.2 -41.9 -70.7 45.1 34.0 33 37 A K < - 0 0 75 -3,-1.7 -6,-1.5 -2,-0.5 2,-0.4 -0.321 46.2-154.9 -57.3 131.9 -69.8 43.0 37.1 34 38 A E E -C 26 0A 73 38,-0.3 40,-0.5 -8,-0.2 -8,-0.3 -0.925 7.6-161.8-117.0 138.7 -69.5 45.2 40.2 35 39 A A E -C 25 0A 2 -10,-3.0 -10,-3.2 -2,-0.4 2,-0.4 -0.737 10.2-130.1-117.3 164.9 -67.5 44.5 43.3 36 40 A F E -Cd 24 75A 47 38,-3.6 40,-3.9 -12,-0.3 2,-0.5 -0.905 9.6-165.4-117.4 143.0 -67.5 45.7 46.9 37 41 A M E -Cd 23 76A 1 -14,-3.2 -14,-2.6 -2,-0.4 40,-0.1 -0.979 18.9-139.9-126.9 117.0 -64.6 46.9 49.1 38 42 A H E > -C 22 0A 82 38,-0.6 3,-0.6 -2,-0.5 -16,-0.2 -0.051 22.3-118.2 -63.8 175.6 -65.2 47.2 52.8 39 43 A I G >> S+ 0 0 41 -18,-1.5 3,-1.9 1,-0.2 4,-0.6 0.783 113.1 70.5 -84.8 -28.4 -63.8 50.2 54.7 40 44 A S G 34 S+ 0 0 73 -19,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.379 101.8 46.8 -67.0 8.0 -61.8 47.7 56.7 41 45 A E G <4 S+ 0 0 32 -3,-0.6 37,-2.0 38,-0.1 38,-1.6 0.330 85.8 84.3-130.0 2.0 -59.8 47.2 53.5 42 46 A V T <4 S+ 0 0 4 -3,-1.9 2,-0.3 36,-0.2 -2,-0.1 0.910 105.3 2.6 -73.4 -39.2 -59.1 50.7 52.3 43 47 A A S < S- 0 0 15 -4,-0.6 36,-0.2 2,-0.2 -1,-0.2 -0.901 72.1-108.7-141.1 167.9 -56.0 51.1 54.5 44 48 A S S S+ 0 0 107 -2,-0.3 2,-0.3 35,-0.1 -4,-0.1 0.083 107.8 50.0 -86.9 25.4 -53.9 49.2 57.0 45 49 A T S S- 0 0 90 0, 0.0 -2,-0.2 0, 0.0 -3,-0.0 -0.944 108.0 -86.2-157.7 138.5 -55.3 51.4 59.7 46 50 A W - 0 0 171 -2,-0.3 2,-0.1 1,-0.1 -6,-0.1 -0.252 54.0-122.4 -52.1 134.4 -59.0 52.1 60.5 47 51 A V - 0 0 11 -8,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.460 17.8-158.9 -83.4 152.3 -59.9 55.1 58.3 48 52 A R S S+ 0 0 198 1,-0.4 2,-0.4 -2,-0.1 -1,-0.1 0.875 89.1 5.8 -91.4 -51.7 -61.3 58.5 59.5 49 53 A N > - 0 0 84 1,-0.1 3,-1.4 0, 0.0 -1,-0.4 -0.982 61.5-151.5-132.3 117.2 -62.9 59.5 56.2 50 54 A I G >> S+ 0 0 15 -2,-0.4 3,-2.5 1,-0.3 4,-2.3 0.822 94.5 77.5 -58.4 -23.4 -62.9 57.0 53.3 51 55 A R G 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -32,-0.0 0.871 79.1 65.2 -49.5 -44.7 -62.9 60.2 51.3 52 56 A D G <4 S+ 0 0 118 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.549 118.0 26.9 -58.7 -6.8 -59.2 60.8 51.9 53 57 A Y T <4 S+ 0 0 98 -3,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.719 118.7 41.9-119.6 -59.1 -58.7 57.6 49.9 54 58 A L < - 0 0 3 -4,-2.3 2,-0.3 4,-0.0 -1,-0.3 -0.597 54.6-178.2 -98.4 157.3 -61.4 56.9 47.4 55 59 A K > - 0 0 138 -2,-0.2 3,-3.0 -3,-0.1 -40,-0.3 -0.960 42.4 -83.9-154.5 134.7 -63.3 59.3 45.0 56 60 A E T 3 S+ 0 0 96 -2,-0.3 -40,-0.2 1,-0.3 3,-0.1 -0.024 115.6 10.5 -39.5 128.2 -66.1 58.8 42.5 57 61 A G T 3 S+ 0 0 49 -42,-3.4 -1,-0.3 1,-0.3 -41,-0.1 0.276 91.4 143.9 83.1 -14.0 -64.7 57.5 39.2 58 62 A Q < - 0 0 74 -3,-3.0 -43,-3.8 -43,-0.3 -1,-0.3 -0.293 44.8-135.2 -59.4 141.1 -61.3 56.9 40.6 59 63 A K E +A 14 0A 107 -45,-0.3 2,-0.3 -3,-0.1 -45,-0.2 -0.682 30.2 171.2 -96.4 156.4 -59.5 53.8 39.2 60 64 A V E -A 13 0A 25 -47,-0.7 -47,-3.0 -2,-0.3 2,-0.6 -0.992 33.5-128.8-163.5 153.6 -57.7 51.4 41.4 61 65 A V E +A 12 0A 15 -2,-0.3 -49,-0.3 -49,-0.2 2,-0.2 -0.947 39.0 168.4-112.1 117.5 -56.0 48.0 41.6 62 66 A A E -A 11 0A 3 -51,-2.1 -51,-3.8 -2,-0.6 2,-0.6 -0.751 35.1-108.0-124.2 171.4 -57.2 45.8 44.3 63 67 A K E -AE 10 77A 44 14,-2.3 2,-1.5 -53,-0.2 14,-1.0 -0.886 27.0-126.0-106.3 121.9 -57.0 42.2 45.5 64 68 A V E + E 0 76A 1 -55,-2.5 -56,-0.8 -2,-0.6 12,-0.2 -0.480 34.2 177.7 -62.9 92.2 -59.9 39.9 45.1 65 69 A I E - 0 0 74 -2,-1.5 2,-0.3 10,-0.9 -1,-0.2 0.944 64.7 -6.9 -64.0 -51.8 -60.0 38.8 48.7 66 70 A R E - E 0 75A 164 9,-1.1 9,-2.4 -3,-0.2 2,-0.3 -0.991 68.5-174.1-146.7 146.5 -63.1 36.7 48.4 67 71 A V E - E 0 74A 31 -2,-0.3 7,-0.2 7,-0.2 -60,-0.1 -0.992 16.4-169.3-151.6 143.6 -65.6 36.0 45.7 68 72 A D E >>> - E 0 73A 60 5,-2.3 5,-1.9 -2,-0.3 4,-1.7 -0.928 3.4-177.2-132.4 106.4 -69.0 34.2 44.9 69 73 A P T 345S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.877 79.0 69.5 -66.8 -45.5 -70.1 34.0 41.2 70 74 A R T 345S+ 0 0 243 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.747 117.5 26.4 -47.4 -26.4 -73.4 32.2 41.9 71 75 A K T <45S- 0 0 147 -3,-0.6 -1,-0.3 2,-0.1 0, 0.0 0.661 106.7-122.1-110.8 -28.4 -74.4 35.5 43.4 72 76 A G T <5 + 0 0 15 -4,-1.7 2,-0.5 1,-0.3 -38,-0.3 0.699 60.5 143.0 90.7 22.0 -72.2 38.0 41.5 73 77 A H E < - E 0 68A 110 -5,-1.9 -5,-2.3 -40,-0.1 2,-0.5 -0.826 27.6-173.8-100.5 130.2 -70.5 39.4 44.6 74 78 A I E - E 0 67A 1 -2,-0.5 -38,-3.6 -40,-0.5 2,-0.5 -0.957 9.6-156.2-127.1 113.4 -66.9 40.4 44.5 75 79 A D E -dE 36 66A 55 -9,-2.4 -9,-1.1 -2,-0.5 -10,-0.9 -0.759 19.1-161.3 -91.6 127.1 -65.2 41.5 47.7 76 80 A L E -dE 37 64A 2 -40,-3.9 -38,-0.6 -2,-0.5 2,-0.4 -0.775 10.8-152.7-115.4 159.3 -62.1 43.7 47.2 77 81 A S E + E 0 63A 2 -14,-1.0 -14,-2.3 -2,-0.3 -35,-0.1 -0.967 19.9 175.2-131.4 143.1 -59.0 44.8 49.0 78 82 A L S S+ 0 0 39 -37,-2.0 -36,-0.2 -2,-0.4 -1,-0.1 0.720 79.0 67.0-108.6 -36.2 -56.7 47.8 48.9 79 83 A R S S+ 0 0 129 -38,-1.6 2,-2.2 1,-0.2 -35,-0.1 0.963 90.4 59.2 -49.1 -81.0 -54.6 46.9 51.9 80 84 A R S S+ 0 0 170 -37,-0.1 -1,-0.2 -17,-0.1 2,-0.2 -0.215 81.6 103.2 -56.6 81.3 -52.8 43.8 50.6 81 85 A V - 0 0 30 -2,-2.2 2,-0.3 -19,-0.1 -1,-0.1 -0.598 52.4-164.1-164.2 90.8 -51.2 45.6 47.6 82 86 A T >> - 0 0 73 -2,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.653 41.1 -99.7 -86.2 139.9 -47.5 46.5 47.8 83 87 A Q H 3> S+ 0 0 146 -2,-0.3 4,-1.8 1,-0.3 5,-0.3 0.681 127.2 47.3 -19.9 -47.9 -46.1 49.0 45.3 84 88 A Q H 3> S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.979 107.7 54.5 -63.9 -57.1 -44.7 46.1 43.2 85 89 A Q H <> S+ 0 0 52 -3,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.905 113.3 46.1 -37.6 -58.2 -48.0 44.2 43.4 86 90 A R H >X S+ 0 0 100 -4,-1.4 3,-2.8 1,-0.2 4,-2.4 0.969 113.3 40.2 -52.1 -79.2 -49.7 47.3 42.0 87 91 A K H 3X S+ 0 0 119 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.785 104.9 72.0 -47.7 -28.0 -47.6 48.5 39.1 88 92 A A H 3X S+ 0 0 45 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.3 0.901 113.6 25.9 -53.9 -40.9 -47.2 44.8 38.3 89 93 A K H X S+ 0 0 74 -4,-2.8 4,-2.0 2,-0.2 3,-0.5 0.992 112.6 34.6 -66.9 -69.0 -50.2 46.9 28.2 96 100 A A H 3X S+ 0 0 23 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.769 109.8 72.3 -60.2 -24.6 -53.4 45.1 27.0 97 101 A Q H >X S+ 0 0 68 -4,-3.8 4,-1.7 1,-0.2 3,-0.9 0.969 103.9 36.8 -53.4 -57.2 -54.8 48.7 27.0 98 102 A K H X S+ 0 0 72 -4,-3.0 4,-1.0 1,-0.3 3,-0.9 0.871 106.7 55.7 -64.3 -38.5 -60.1 48.7 17.6 105 109 A L H 3X S+ 0 0 36 -4,-0.7 4,-0.6 -5,-0.4 -1,-0.3 0.605 103.3 60.1 -69.7 -8.9 -57.9 50.6 15.1 106 110 A A H <> S+ 0 0 0 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.711 98.1 53.1 -90.6 -25.0 -58.3 47.5 13.0 107 111 A A H S+ 0 0 3 -3,-0.9 5,-2.1 -4,-0.7 4,-0.5 0.731 104.9 58.3 -81.4 -21.5 -62.0 47.5 12.7 108 112 A E H <5S+ 0 0 129 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.830 113.9 34.5 -75.7 -34.6 -61.9 51.1 11.4 109 113 A K H <5S+ 0 0 159 -4,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.771 124.3 43.2 -90.6 -29.5 -59.6 50.3 8.5 110 114 A L H <5S- 0 0 47 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.582 108.2-132.8 -88.5 -11.2 -61.2 46.9 7.8 111 115 A G T <5 + 0 0 56 -4,-0.5 -3,-0.2 1,-0.2 2,-0.2 0.942 56.5 127.7 60.3 55.0 -64.6 48.5 8.4 112 116 A K < - 0 0 119 -5,-2.1 2,-0.2 -6,-0.1 -1,-0.2 -0.630 60.7 -78.9-127.6-173.8 -66.1 46.0 10.8 113 117 A D - 0 0 98 -2,-0.2 5,-0.2 1,-0.1 4,-0.1 -0.606 31.6-126.5 -90.3 149.2 -67.8 45.8 14.2 114 118 A F S >> S+ 0 0 103 -2,-0.2 4,-2.9 1,-0.2 3,-1.1 0.958 111.7 39.0 -56.9 -54.7 -65.9 45.9 17.5 115 119 A E H 3> S+ 0 0 137 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.902 108.0 61.4 -62.9 -46.2 -67.5 42.6 18.8 116 120 A T H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.376 118.5 32.1 -65.9 7.6 -67.4 40.8 15.4 117 121 A A H X> S+ 0 0 2 -3,-1.1 3,-2.4 -5,-0.1 4,-1.5 0.596 108.5 62.5-123.3 -55.0 -63.7 41.2 15.6 118 122 A W H 3< S+ 0 0 75 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.547 108.9 49.0 -51.5 -11.4 -63.0 41.0 19.3 119 123 A R T 3< S+ 0 0 139 -4,-1.0 -1,-0.3 -5,-0.2 -3,-0.1 0.595 111.3 46.6-105.0 -19.7 -64.4 37.5 18.9 120 124 A E T <4 S+ 0 0 69 -3,-2.4 -2,-0.2 -5,-0.2 -4,-0.1 0.504 134.3 2.0-102.3 -5.6 -62.3 36.5 15.9 121 125 A V S X S+ 0 0 2 -4,-1.5 4,-3.3 30,-0.1 5,-0.4 0.396 118.6 60.8-138.8 -72.3 -58.9 37.7 17.2 122 126 A W H > S+ 0 0 22 -5,-0.3 4,-1.2 1,-0.2 -3,-0.1 0.739 119.4 40.1 -38.3 -26.4 -58.7 39.3 20.7 123 127 A V H 4 S+ 0 0 58 -6,-0.3 4,-0.4 2,-0.2 5,-0.3 0.904 112.4 49.6 -91.5 -55.1 -59.9 35.9 21.7 124 128 A P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.904 121.5 40.2 -50.4 -37.9 -58.0 33.5 19.5 125 129 A L H X>S+ 0 0 2 -4,-3.3 4,-2.6 2,-0.2 5,-0.8 0.980 108.5 53.7 -74.2 -61.8 -54.9 35.5 20.5 126 130 A E H <5S+ 0 0 92 -4,-1.2 -1,-0.2 -5,-0.4 -3,-0.1 0.388 120.0 43.2 -56.9 8.8 -55.4 36.1 24.3 127 131 A E H 45S+ 0 0 147 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.646 115.1 41.1-120.7 -46.4 -55.8 32.3 24.2 128 132 A E H <5S+ 0 0 127 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.945 133.1 23.3 -71.4 -46.0 -53.1 31.0 21.9 129 133 A W T <5S- 0 0 94 -4,-2.6 -3,-0.2 -5,-0.2 3,-0.1 0.938 92.4-124.6 -85.9 -57.7 -50.5 33.4 23.4 130 134 A G S - 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0 0 0 -2,-0.3 -54,-0.5 -18,-0.2 -18,-0.1 -0.086 60.0 -97.3 -95.4-164.7 -28.7 47.2 12.5 227 231 A P S S+ 0 0 35 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.405 102.1 7.8 -99.2 4.9 -32.3 46.6 11.6 228 232 A D S > S- 0 0 65 -56,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.792 77.4-104.5 179.5 139.4 -31.5 43.3 9.8 229 233 A Y H > S+ 0 0 149 1,-0.2 4,-3.2 -2,-0.2 5,-0.4 0.791 115.8 62.5 -37.0 -42.6 -28.7 41.0 9.1 230 234 A Y H > S+ 0 0 200 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.964 111.1 38.7 -46.3 -67.5 -28.4 42.3 5.5 231 235 A K H >> S+ 0 0 39 -3,-0.5 4,-2.3 1,-0.2 3,-1.1 0.927 115.8 52.4 -41.8 -67.5 -27.5 45.7 6.9 232 236 A A H 3X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.829 107.7 49.6 -41.4 -50.9 -25.4 44.4 9.8 233 237 A E H 3X S+ 0 0 131 -4,-3.2 4,-1.7 -3,-0.3 -1,-0.3 0.866 114.5 47.4 -63.1 -32.5 -23.2 42.2 7.6 234 238 A E H X S+ 0 0 112 -4,-1.7 4,-1.4 2,-0.2 3,-0.7 0.817 109.2 55.1 -59.0 -29.9 -17.5 45.0 6.0 238 242 A S H 3X S+ 0 0 54 -4,-1.5 4,-1.4 1,-0.3 5,-0.2 0.998 108.8 45.1 -62.6 -63.3 -17.6 48.7 6.1 239 243 A I H 3< S+ 0 0 2 -4,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.420 105.8 70.0 -59.4 5.1 -15.8 48.8 9.4 240 244 A A H X> S+ 0 0 18 -3,-0.7 4,-1.8 3,-0.1 3,-0.8 0.919 106.9 28.8 -84.4 -72.8 -13.5 46.2 7.8 241 245 A E H 3X S+ 0 0 126 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.963 116.5 62.1 -45.5 -69.2 -11.7 48.3 5.3 242 246 A E H 3X S+ 0 0 22 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.740 115.5 32.5 -26.7 -48.8 -12.1 51.4 7.5 243 247 A I H <> S+ 0 0 1 -3,-0.8 4,-2.6 -4,-0.4 5,-0.5 0.975 119.4 46.9 -77.5 -71.8 -10.0 49.7 10.2 244 248 A L H X S+ 0 0 59 -4,-1.8 4,-1.5 -5,-0.2 10,-0.3 0.826 117.5 46.9 -33.5 -52.8 -7.6 47.5 8.3 245 249 A R H >X S+ 0 0 100 -4,-2.9 4,-1.8 -5,-0.3 3,-1.7 0.987 113.5 44.7 -54.6 -79.3 -6.8 50.5 6.0 246 250 A V H 3X S+ 0 0 12 -4,-1.0 4,-0.7 1,-0.3 -2,-0.2 0.717 114.8 46.4 -40.6 -39.2 -6.3 53.2 8.7 247 251 A I H 3<>S+ 0 0 1 -4,-2.6 5,-3.2 2,-0.2 -1,-0.3 0.828 110.5 55.7 -78.9 -24.7 -4.2 51.1 11.0 248 252 A K H X<5S+ 0 0 135 -3,-1.7 3,-3.0 -4,-1.5 -2,-0.2 0.953 101.9 55.2 -65.5 -48.0 -2.1 50.0 8.0 249 253 A E H 3<5S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.4 49.0 -53.9 -28.4 -1.4 53.7 7.1 250 254 A A T 3<5S- 0 0 27 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.059 132.4 -97.9 -99.9 21.4 -0.1 54.0 10.6 251 255 A G T < 5S+ 0 0 58 -3,-3.0 -3,-0.3 1,-0.2 2,-0.2 0.754 82.1 124.7 71.2 31.6 2.0 50.9 10.1 252 256 A G < - 0 0 14 -5,-3.2 2,-0.4 -7,-0.2 -1,-0.2 -0.598 55.3-131.1-116.5 176.9 -0.3 48.3 11.7 253 257 A E E +H 181 0C 138 -72,-2.2 -72,-1.1 -2,-0.2 2,-0.4 -0.863 25.8 173.9-134.2 98.6 -2.0 45.1 10.9 254 258 A A E +H 180 0C 6 -2,-0.4 2,-0.3 -10,-0.3 -74,-0.2 -0.866 7.7 175.0-105.4 136.4 -5.7 44.7 11.7 255 259 A T E -H 179 0C 51 -76,-1.0 -76,-2.1 -2,-0.4 2,-0.1 -0.977 24.5-134.2-140.8 153.0 -7.6 41.6 10.6 256 260 A L - 0 0 58 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.1 -0.305 22.6-132.5 -90.8-177.1 -11.1 40.2 11.1 257 261 A L S S+ 0 0 36 -80,-0.4 -80,-0.3 -2,-0.1 -2,-0.0 -0.881 72.8 73.8-145.2 108.3 -11.7 36.6 12.0 258 262 A R + 0 0 188 -2,-0.3 -1,-0.1 -82,-0.1 -82,-0.0 0.187 54.4 113.4 177.1 -23.9 -14.2 34.4 10.2 259 263 A K + 0 0 177 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 0.806 22.0 154.7 -31.7 -72.5 -12.7 33.6 6.7 260 264 A E 0 0 146 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.396 360.0 360.0 53.8 -7.2 -12.1 29.8 7.1 261 265 A K 0 0 240 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.148 360.0 360.0 58.2 360.0 -12.3 29.8 3.3