==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JUL-03 1UIN . COMPND 2 MOLECULE: THREONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR R.OMI,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) . 696 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 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 . 57 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 6 1 0 2 1 2 0 2 0 2 6 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 6 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 . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A R 0 0 46 0, 0.0 378,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 96.1 48.8 43.5 33.0 2 3 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.378 360.0 -80.4 -81.9 166.2 45.3 43.8 34.3 3 4 A P >> - 0 0 38 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.518 40.1-131.0 -66.5 134.8 42.3 42.8 32.2 4 5 A L H 3> S+ 0 0 1 21,-0.4 4,-1.7 1,-0.3 5,-0.1 0.916 107.4 54.8 -51.8 -45.8 41.7 45.7 29.8 5 6 A I H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.834 111.3 45.0 -58.7 -33.2 38.0 45.7 30.6 6 7 A E H X4 S+ 0 0 84 -3,-0.8 3,-1.0 2,-0.2 4,-0.2 0.865 106.3 58.6 -79.2 -36.6 38.8 46.0 34.3 7 8 A R H 3< S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 125.2 20.9 -60.6 -35.6 41.4 48.7 33.9 8 9 A Y T >X S+ 0 0 9 -4,-1.7 3,-1.6 -5,-0.2 4,-0.5 -0.072 82.4 136.1-125.1 34.7 38.8 51.0 32.3 9 10 A R G X4>S+ 0 0 61 -3,-1.0 3,-1.6 1,-0.3 5,-0.5 0.879 72.0 51.3 -47.1 -52.7 35.6 49.4 33.5 10 11 A N G 345S+ 0 0 158 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.667 113.4 46.9 -65.0 -15.4 33.8 52.7 34.4 11 12 A L G <45S+ 0 0 58 -3,-1.6 -1,-0.3 -6,-0.1 -2,-0.2 0.383 103.1 77.6-105.8 1.6 34.6 54.0 30.9 12 13 A L T <<5S- 0 0 12 -3,-1.6 2,-3.2 -4,-0.5 146,-0.0 -0.851 91.5-105.9-115.3 150.5 33.5 50.9 29.0 13 14 A P T 5S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.226 80.5 116.5 -67.9 55.2 30.0 49.6 28.1 14 15 A V < - 0 0 24 -2,-3.2 2,-0.2 -5,-0.5 -2,-0.1 -0.862 43.9-165.1-126.6 160.3 30.1 46.9 30.7 15 16 A S > - 0 0 43 -2,-0.3 3,-1.3 1,-0.0 -5,-0.0 -0.701 46.0 -90.2-129.7-177.9 28.2 46.0 33.9 16 17 A E T 3 S+ 0 0 102 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.704 126.8 57.6 -70.0 -17.1 28.7 43.7 36.8 17 18 A K T 3 S+ 0 0 176 2,-0.1 -1,-0.3 56,-0.0 -3,-0.0 0.522 79.5 109.7 -89.0 -8.2 26.9 41.0 34.8 18 19 A T S < S- 0 0 7 -3,-1.3 2,-0.6 1,-0.1 52,-0.1 -0.554 71.3-131.5 -72.5 121.7 29.4 41.2 31.9 19 20 A P - 0 0 42 0, 0.0 2,-1.1 0, 0.0 54,-0.2 -0.640 21.6-132.2 -74.9 119.4 31.5 38.1 31.7 20 21 A V - 0 0 49 -2,-0.6 2,-1.1 1,-0.1 46,-0.1 -0.621 24.1-174.2 -78.8 100.2 35.1 39.3 31.4 21 22 A I + 0 0 21 -2,-1.1 2,-0.3 44,-0.4 48,-0.2 -0.785 25.8 157.4 -95.4 94.3 36.7 37.4 28.6 22 23 A S - 0 0 9 -2,-1.1 -2,-0.0 75,-0.1 44,-0.0 -0.916 44.5-175.1-127.8 149.8 40.3 38.5 28.8 23 24 A L - 0 0 1 -2,-0.3 357,-0.1 38,-0.1 -1,-0.1 -0.010 69.9 -96.3-121.3 21.6 43.8 37.4 27.8 24 25 A L + 0 0 10 1,-0.1 -2,-0.1 355,-0.1 356,-0.0 0.843 68.8 169.7 62.6 36.9 45.3 40.4 29.6 25 26 A E + 0 0 0 36,-0.1 -21,-0.4 29,-0.1 -1,-0.1 -0.171 38.5 37.0 -67.7 169.0 45.5 42.3 26.3 26 27 A G + 0 0 0 25,-0.1 140,-0.0 1,-0.1 -22,-0.0 -0.291 63.5 97.7 80.6-169.7 46.3 46.0 26.4 27 28 A S + 0 0 24 1,-0.2 -1,-0.1 -2,-0.1 139,-0.0 0.888 61.5 171.8 51.9 40.8 48.8 47.7 28.7 28 29 A T - 0 0 4 1,-0.1 -1,-0.2 -27,-0.0 23,-0.1 -0.433 37.1 -89.3 -80.6 156.5 51.3 47.5 25.9 29 30 A P - 0 0 18 0, 0.0 21,-2.5 0, 0.0 2,-0.7 -0.327 23.4-148.4 -67.8 145.1 54.7 49.3 26.0 30 31 A L E -A 49 0A 4 19,-0.2 19,-0.2 139,-0.1 343,-0.1 -0.883 23.2-158.3-112.6 90.1 55.1 52.8 24.7 31 32 A I E -A 48 0A 0 17,-2.2 17,-3.0 -2,-0.7 2,-0.4 -0.598 11.8-134.1 -77.1 119.2 58.7 52.7 23.5 32 33 A P E -A 47 0A 62 0, 0.0 15,-0.3 0, 0.0 2,-0.2 -0.596 28.1-130.5 -72.8 129.0 60.5 56.0 23.2 33 34 A L - 0 0 19 13,-3.0 13,-0.4 -2,-0.4 248,-0.1 -0.588 4.1-139.4 -84.8 144.6 62.2 56.1 19.9 34 35 A K - 0 0 100 -2,-0.2 -1,-0.1 246,-0.1 247,-0.1 0.923 61.3 -99.8 -63.6 -46.3 65.9 57.0 19.5 35 36 A G - 0 0 14 4,-0.1 11,-0.2 10,-0.0 2,-0.2 -0.244 7.8-114.8-134.6-139.7 65.2 59.0 16.3 36 37 A P >> - 0 0 7 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.602 42.3-130.8 -75.3 176.7 65.1 59.5 13.4 37 38 A E H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.855 106.7 64.5 -59.2 -37.7 67.7 62.3 13.1 38 39 A E H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.884 110.3 38.7 -53.1 -40.7 65.1 64.3 11.0 39 40 A A H X4>S+ 0 0 0 -3,-0.7 5,-2.6 2,-0.2 3,-1.5 0.893 113.6 52.2 -78.6 -43.9 63.0 64.4 14.2 40 41 A R H ><5S+ 0 0 61 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.896 98.5 66.3 -61.0 -39.1 65.8 64.9 16.8 41 42 A K T 3<5S+ 0 0 90 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.667 110.6 38.0 -56.4 -16.4 67.1 67.8 14.8 42 43 A K T < 5S- 0 0 87 -3,-1.5 266,-2.7 -5,-0.2 -1,-0.3 0.196 116.2-108.7-120.1 14.5 63.9 69.6 15.7 43 44 A G T < 5 + 0 0 37 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.768 67.3 151.9 64.4 24.4 63.4 68.3 19.3 44 45 A I < - 0 0 7 -5,-2.6 2,-0.4 264,-0.2 -1,-0.2 -0.803 32.1-153.0 -91.6 121.0 60.5 66.2 18.1 45 46 A R E - b 0 310A 36 264,-2.4 266,-3.2 -2,-0.6 2,-0.4 -0.803 5.8-159.5 -99.6 133.8 60.1 63.1 20.2 46 47 A L E - b 0 311A 4 -2,-0.4 -13,-3.0 -13,-0.4 2,-0.4 -0.894 6.1-171.9-112.9 141.5 58.5 59.9 18.9 47 48 A Y E -Ab 32 312A 63 264,-2.3 266,-2.9 -2,-0.4 2,-0.7 -0.999 13.4-146.4-131.1 132.9 57.0 57.1 21.0 48 49 A A E -Ab 31 313A 0 -17,-3.0 -17,-2.2 -2,-0.4 2,-1.0 -0.880 4.3-150.7-106.9 111.9 55.8 53.7 19.5 49 50 A K E -Ab 30 314A 4 264,-2.8 266,-1.9 -2,-0.7 2,-1.6 -0.701 21.3-145.0 -78.1 105.2 52.8 52.1 21.1 50 51 A Y E > + b 0 315A 2 -21,-2.5 3,-1.3 -2,-1.0 266,-0.1 -0.527 33.0 164.1 -80.8 80.4 53.8 48.5 20.5 51 52 A E G > + 0 0 0 -2,-1.6 3,-1.2 264,-1.6 267,-0.2 0.543 62.9 81.1 -73.0 -10.0 50.4 46.7 19.8 52 53 A G G 3 S+ 0 0 3 263,-0.5 266,-0.3 265,-0.4 -1,-0.3 0.594 81.0 70.3 -71.5 -8.2 52.1 43.7 18.3 53 54 A L G < S+ 0 0 4 -3,-1.3 -1,-0.3 -24,-0.1 -2,-0.1 0.103 72.9 112.6 -96.3 21.8 52.6 42.6 21.8 54 55 A N S X S- 0 0 0 -3,-1.2 3,-1.9 -29,-0.1 -29,-0.1 -0.545 90.5 -88.6 -86.0 160.6 49.0 41.9 22.4 55 56 A P T 3 S+ 0 0 3 0, 0.0 578,-0.3 0, 0.0 4,-0.1 0.781 127.8 29.7 -38.0 -47.6 47.9 38.2 23.0 56 57 A T T 3 S- 0 0 1 2,-0.4 3,-0.1 576,-0.1 -3,-0.1 0.430 119.1-101.8 -98.8 2.0 47.4 37.5 19.2 57 58 A G S < S+ 0 0 0 -3,-1.9 261,-2.0 1,-0.3 2,-0.3 0.607 92.2 84.5 91.7 13.6 50.0 39.9 17.9 58 59 A S B > S-F 317 0B 1 259,-0.2 3,-1.5 28,-0.1 -2,-0.4 -0.986 81.7-119.5-145.9 152.2 47.6 42.7 16.9 59 60 A F T >> S+ 0 0 17 257,-1.6 3,-2.4 -2,-0.3 4,-0.5 0.682 98.8 87.7 -64.4 -17.6 45.8 45.6 18.5 60 61 A K H >> + 0 0 32 1,-0.3 4,-2.9 256,-0.2 3,-0.5 0.733 69.2 76.3 -55.7 -21.7 42.5 44.0 17.5 61 62 A D H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.827 87.5 61.6 -57.6 -31.6 42.6 42.1 20.8 62 63 A R H <> S+ 0 0 0 -3,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.898 111.2 36.3 -61.5 -43.6 41.5 45.4 22.4 63 64 A G H S+ 0 0 10 -4,-2.4 5,-2.4 -5,-0.3 3,-0.3 0.919 110.8 44.2 -55.8 -44.5 28.5 38.7 22.9 72 73 A V H ><5S+ 0 0 40 -4,-2.4 3,-2.6 1,-0.2 -1,-0.2 0.914 107.3 58.3 -66.4 -43.5 28.6 36.2 25.7 73 74 A E H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.3 53.7 -56.2 -25.7 26.7 38.6 28.0 74 75 A G T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.376 123.9-104.1 -91.4 3.5 24.0 38.4 25.3 75 76 A G T < 5 + 0 0 54 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.620 61.6 165.7 85.5 12.9 23.8 34.6 25.3 76 77 A A < - 0 0 16 -5,-2.4 -1,-0.2 -6,-0.2 73,-0.2 -0.385 29.2-163.1 -65.3 136.6 25.8 34.2 22.1 77 78 A Q S S+ 0 0 118 71,-2.6 24,-2.0 1,-0.2 2,-0.3 0.447 75.0 0.7 -96.4 -3.1 27.0 30.7 21.4 78 79 A A E -gh 101 149C 0 70,-0.9 72,-2.5 22,-0.2 2,-0.3 -0.979 60.2-135.5-172.9 164.2 29.5 32.0 18.8 79 80 A V E -gh 102 150C 0 22,-2.0 24,-2.7 -2,-0.3 2,-0.3 -0.868 24.3-164.3-125.9 159.6 30.9 35.1 17.1 80 81 A A E +gh 103 151C 0 70,-2.0 72,-2.4 -2,-0.3 2,-0.3 -0.982 16.2 166.0-147.8 159.2 31.6 35.4 13.4 81 82 A C E -g 104 0C 1 22,-1.8 24,-1.4 -2,-0.3 72,-0.1 -0.939 35.3-131.0-159.4 166.9 33.4 37.5 10.8 82 83 A A + 0 0 14 -2,-0.3 2,-0.3 22,-0.2 22,-0.1 -0.338 66.6 120.9-123.1 49.2 34.4 37.1 7.2 83 84 A S - 0 0 34 2,-0.1 -2,-0.1 1,-0.1 70,-0.0 -0.794 46.6-165.1-109.9 153.5 38.0 38.1 7.6 84 85 A T S S+ 0 0 14 -2,-0.3 35,-0.1 4,-0.1 -1,-0.1 0.390 71.4 58.9-115.5 -2.5 41.1 36.0 6.8 85 86 A G S > S- 0 0 25 153,-0.1 4,-1.6 31,-0.0 3,-0.5 0.215 112.6 -34.7-103.3-139.3 43.5 38.1 8.8 86 87 A N H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.719 126.9 62.0 -59.6 -23.4 44.2 39.4 12.3 87 88 A T H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.943 103.9 47.3 -68.8 -46.4 40.5 39.7 13.0 88 89 A A H > S+ 0 0 2 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.881 112.7 49.8 -61.3 -40.3 39.9 36.0 12.6 89 90 A A H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.926 113.9 44.7 -65.7 -44.6 42.9 35.2 14.8 90 91 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.944 114.3 49.0 -64.6 -48.0 41.7 37.6 17.5 91 92 A A H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.905 112.7 48.4 -58.4 -43.7 38.1 36.4 17.3 92 93 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.8 49.8 -64.8 -43.7 39.2 32.7 17.5 93 94 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 116.0 41.7 -63.0 -43.7 41.5 33.3 20.5 94 95 A Y H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.858 112.5 53.8 -72.8 -34.5 38.8 35.1 22.5 95 96 A A H X>S+ 0 0 1 -4,-2.4 5,-2.3 -5,-0.3 4,-1.7 0.927 109.6 49.5 -63.1 -43.3 36.1 32.7 21.4 96 97 A A H <5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 109.8 50.9 -60.3 -44.2 38.4 29.9 22.7 97 98 A R H <5S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.3 45.8 -60.7 -38.0 38.9 31.8 25.9 98 99 A A H <5S- 0 0 26 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.699 111.4-118.7 -79.8 -22.2 35.1 32.1 26.3 99 100 A G T <5S+ 0 0 57 -4,-1.7 2,-0.2 1,-0.4 -3,-0.2 0.715 77.2 111.5 88.6 20.9 34.3 28.5 25.4 100 101 A I S - i 0 129C 10 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.548 59.9 -96.1 -71.7 136.5 34.8 31.9 -0.6 108 109 A A T 3 S+ 0 0 36 21,-3.4 19,-0.0 1,-0.3 23,-0.0 -0.167 104.7 10.9 -54.6 142.3 36.2 28.4 -1.3 109 110 A G T 3 S+ 0 0 68 2,-0.1 -1,-0.3 -3,-0.1 21,-0.0 0.555 97.7 111.4 67.5 8.4 39.8 28.3 -2.4 110 111 A Y < + 0 0 144 -3,-1.7 2,-0.1 2,-0.0 -2,-0.1 0.980 66.6 47.9 -77.1 -60.3 40.4 31.9 -1.5 111 112 A V S S- 0 0 20 -4,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.456 76.0-124.1 -90.1 156.7 42.8 31.7 1.4 112 113 A A >> - 0 0 64 -2,-0.1 4,-1.1 1,-0.1 3,-0.7 -0.650 24.9-119.8 -91.4 149.5 46.0 29.8 2.0 113 114 A L H >> S+ 0 0 55 -2,-0.3 4,-1.1 1,-0.2 3,-0.7 0.917 111.3 60.9 -54.0 -46.5 46.3 27.5 5.0 114 115 A G H 34 S+ 0 0 34 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.828 100.6 52.5 -50.8 -39.3 49.2 29.5 6.3 115 116 A K H <4 S+ 0 0 96 -3,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.828 119.0 33.6 -71.0 -31.5 47.2 32.7 6.6 116 117 A V H S+ 0 0 19 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.953 111.2 43.3 -61.7 -50.1 46.7 30.9 13.7 119 120 A S H 4>S+ 0 0 3 -4,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.854 113.1 54.6 -65.7 -31.8 42.9 31.1 14.0 120 121 A L H ><5S+ 0 0 9 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.872 102.4 54.4 -69.4 -38.4 42.6 27.3 13.2 121 122 A V H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.873 104.6 56.4 -63.1 -33.5 45.0 26.3 16.0 122 123 A H T 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.506 129.1-103.7 -74.1 -3.4 42.7 28.2 18.3 123 124 A G T < 5 + 0 0 26 -3,-1.7 -21,-0.3 1,-0.2 -3,-0.2 0.743 57.3 174.3 88.5 24.4 39.9 26.0 17.0 124 125 A A < - 0 0 7 -5,-2.3 2,-1.0 -8,-0.1 -1,-0.2 -0.367 32.0-131.2 -64.2 141.1 38.3 28.5 14.6 125 126 A R E -i 103 0C 97 -23,-3.2 -21,-2.4 571,-0.1 2,-0.6 -0.832 27.3-168.9 -95.5 99.2 35.5 27.0 12.5 126 127 A I E -i 104 0C 5 -2,-1.0 2,-0.7 -23,-0.2 -21,-0.2 -0.827 2.4-163.3 -94.7 120.1 36.4 28.2 9.0 127 128 A V E -i 105 0C 4 -23,-3.2 -21,-2.0 -2,-0.6 2,-0.5 -0.863 3.3-161.5-109.5 104.3 33.6 27.6 6.5 128 129 A Q E -i 106 0C 19 -2,-0.7 557,-2.6 555,-0.2 2,-0.3 -0.712 15.1-161.1 -81.8 123.7 34.6 27.8 2.8 129 130 A V E -ij 107 685C 0 -23,-2.8 -21,-3.4 -2,-0.5 2,-1.9 -0.765 27.0-116.3-106.2 152.5 31.5 28.3 0.7 130 131 A E S S+ 0 0 122 555,-1.6 557,-0.5 -2,-0.3 2,-0.2 -0.526 87.5 66.4 -86.5 72.2 31.1 27.6 -3.0 131 132 A G S S- 0 0 31 -2,-1.9 -23,-0.2 -25,-0.1 2,-0.1 -0.883 86.4 -61.5-163.3-166.5 30.4 31.3 -3.9 132 133 A N >> - 0 0 52 -2,-0.2 4,-1.6 -25,-0.1 3,-1.0 -0.351 51.4 -98.5 -90.7 172.6 31.8 34.8 -4.0 133 134 A F H 3> S+ 0 0 73 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.697 127.5 56.5 -63.1 -18.9 33.1 37.1 -1.2 134 135 A D H 3> S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.737 102.5 54.6 -82.2 -27.2 29.7 38.7 -1.3 135 136 A D H <> S+ 0 0 42 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.861 108.6 49.4 -71.9 -36.7 28.2 35.3 -0.7 136 137 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.918 111.6 45.8 -69.2 -47.3 30.4 34.9 2.4 137 138 A L H X S+ 0 0 94 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.945 116.7 47.6 -61.4 -46.1 29.5 38.3 3.9 138 139 A R H X S+ 0 0 114 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.960 110.7 48.0 -58.7 -57.2 25.9 37.6 3.2 139 140 A L H X S+ 0 0 6 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.811 109.9 56.3 -55.3 -29.6 25.7 34.1 4.6 140 141 A T H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.940 105.3 51.1 -66.6 -47.1 27.5 35.6 7.7 141 142 A Q H X S+ 0 0 27 -4,-2.2 4,-0.9 1,-0.2 3,-0.2 0.939 110.8 46.7 -54.5 -52.9 24.8 38.1 8.1 142 143 A K H X S+ 0 0 93 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.806 107.2 57.7 -62.5 -30.3 22.0 35.5 8.0 143 144 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.3 6,-0.4 0.917 106.8 49.7 -64.0 -42.2 23.9 33.3 10.4 144 145 A T H < S+ 0 0 41 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.668 116.5 42.5 -69.6 -18.9 23.8 36.2 12.8 145 146 A E H < S+ 0 0 146 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.655 119.3 39.5-102.7 -20.6 20.1 36.6 12.3 146 147 A A H < S+ 0 0 60 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.662 119.9 34.1-103.4 -20.5 19.0 32.9 12.4 147 148 A F S < S- 0 0 67 -4,-2.0 2,-2.8 -5,-0.3 -1,-0.1 -0.847 96.3 -89.8-129.9 167.7 21.3 31.6 15.2 148 149 A P S S+ 0 0 58 0, 0.0 -71,-2.6 0, 0.0 -70,-0.9 -0.344 78.7 132.4 -75.4 64.2 22.7 33.0 18.4 149 150 A V E -h 78 0C 6 -2,-2.8 2,-0.3 -6,-0.4 -70,-0.2 -0.971 47.1-146.3-121.5 128.1 25.8 34.3 16.7 150 151 A A E -h 79 0C 26 -72,-2.5 -70,-2.0 -2,-0.5 2,-0.6 -0.721 15.9-129.3 -93.3 140.2 27.2 37.8 17.2 151 152 A L E -h 80 0C 53 -2,-0.3 -70,-0.2 -72,-0.2 -72,-0.0 -0.788 21.5-175.8 -89.6 118.1 28.9 39.6 14.3 152 153 A V + 0 0 0 -72,-2.4 -1,-0.1 -2,-0.6 -61,-0.1 -0.300 33.7 137.6-110.6 49.4 32.3 40.9 15.4 153 154 A N S > S- 0 0 50 -72,-0.1 3,-1.8 -2,-0.0 6,-0.2 -0.191 72.8 -76.9 -82.5 179.6 33.2 42.8 12.2 154 155 A S T 3 S+ 0 0 20 1,-0.3 6,-0.1 5,-0.1 -1,-0.0 0.789 128.6 49.0 -47.6 -43.6 34.7 46.2 11.9 155 156 A V T 3 S+ 0 0 73 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.544 73.7 127.7 -80.9 -6.7 31.6 48.2 12.7 156 157 A N X> - 0 0 17 -3,-1.8 4,-1.4 1,-0.2 3,-0.7 -0.329 60.2-141.0 -50.4 119.1 30.8 46.2 15.8 157 158 A P H 3> S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.794 97.5 57.3 -56.8 -30.7 30.4 49.1 18.3 158 159 A H H 3> S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.850 100.6 54.9 -71.5 -35.6 32.1 47.1 21.0 159 160 A R H <> S+ 0 0 12 -3,-0.7 4,-2.1 -6,-0.2 -1,-0.2 0.898 110.0 48.7 -63.9 -38.7 35.2 46.5 19.0 160 161 A L H X S+ 0 0 24 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.893 110.2 50.2 -68.5 -40.1 35.5 50.3 18.6 161 162 A E H >X S+ 0 0 52 -4,-1.8 3,-0.6 1,-0.2 4,-0.6 0.921 111.8 48.3 -64.9 -42.4 34.9 51.0 22.3 162 163 A G H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -99,-0.2 0.907 108.7 53.0 -63.8 -41.5 37.6 48.5 23.3 163 164 A Q H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.688 94.1 73.2 -68.4 -16.8 40.1 49.9 20.8 164 165 A K H XX S+ 0 0 21 -4,-0.9 3,-1.5 -3,-0.6 4,-0.9 0.813 78.4 76.7 -66.4 -30.1 39.6 53.4 22.3 165 166 A T H S+ 0 0 0 -3,-1.2 4,-1.9 1,-0.2 -1,-0.3 0.924 96.0 49.9 -58.9 -41.5 44.8 52.7 23.5 167 168 A A H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 -1,-0.2 0.896 108.1 54.7 -62.2 -39.1 44.4 56.5 23.7 168 169 A F H X S+ 0 0 0 -4,-0.9 4,-2.7 1,-0.2 -2,-0.2 0.926 107.4 48.8 -58.4 -49.5 43.8 56.1 27.5 169 170 A E H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.866 109.5 52.8 -60.4 -39.1 47.0 54.2 28.0 170 171 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 6,-0.3 0.948 112.6 43.5 -63.6 -48.7 49.0 56.8 26.1 171 172 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 111.6 53.7 -64.6 -41.4 47.6 59.7 28.2 172 173 A D H < S+ 0 0 65 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.900 116.0 41.5 -57.5 -41.1 48.1 57.7 31.4 173 174 A E H < S+ 0 0 116 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.948 122.4 35.1 -72.2 -53.2 51.7 57.2 30.4 174 175 A L H < S- 0 0 56 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.661 101.8-121.6 -79.5 -18.7 52.6 60.6 29.0 175 176 A G S < S+ 0 0 58 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 0.297 88.2 25.6 93.4 -9.8 50.6 62.7 31.4 176 177 A D S S- 0 0 30 -6,-0.3 -2,-0.2 -5,-0.1 31,-0.1 -0.964 98.5 -75.7-169.4 170.2 48.7 64.2 28.5 177 178 A A - 0 0 0 32,-0.3 32,-0.1 -2,-0.3 133,-0.1 -0.500 54.6-111.4 -76.1 149.1 47.7 63.5 24.9 178 179 A P - 0 0 1 0, 0.0 133,-0.1 0, 0.0 3,-0.1 -0.345 19.5-116.2 -77.3 165.1 50.5 63.9 22.4 179 180 A H S S+ 0 0 62 131,-0.6 33,-2.3 1,-0.2 2,-0.3 0.878 100.5 21.5 -66.9 -37.2 50.5 66.7 19.8 180 181 A Y E -cd 212 311A 25 130,-1.9 132,-2.6 31,-0.2 2,-0.4 -0.981 61.2-168.0-134.8 145.1 50.3 64.1 17.1 181 182 A H E -cd 213 312A 0 31,-2.0 33,-3.2 -2,-0.3 2,-0.3 -0.929 12.0-170.0-135.5 111.0 49.2 60.5 16.8 182 183 A A E +cd 214 313A 0 130,-2.6 132,-2.5 -2,-0.4 33,-0.2 -0.767 15.8 151.4-101.5 145.4 50.0 58.5 13.7 183 184 A L E -c 215 0A 0 31,-1.8 33,-1.7 -2,-0.3 132,-0.1 -0.975 45.1 -89.9-162.6 162.8 48.6 55.1 12.8 184 185 A P E -c 216 0A 7 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.426 34.0-146.1 -77.6 157.6 47.7 52.9 9.8 185 186 A V + 0 0 0 31,-1.7 33,-0.2 103,-0.1 57,-0.2 -0.938 37.3 140.7-131.6 110.6 44.2 53.1 8.3 186 187 A G S S- 0 0 10 -2,-0.4 54,-0.1 31,-0.1 -1,-0.1 0.646 92.0 -5.1-106.5 -91.5 42.5 50.1 6.8 187 188 A N S S- 0 0 51 58,-0.2 60,-2.6 59,-0.1 64,-0.1 0.510 97.5-127.3 -82.1 -5.2 38.8 49.8 7.5 188 189 A A S > S+ 0 0 3 58,-0.1 4,-1.6 57,-0.1 5,-0.1 0.531 75.2 123.0 72.7 10.9 39.5 52.9 9.7 189 190 A G H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.858 73.2 54.6 -69.4 -31.4 37.9 51.5 12.9 190 191 A N H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.941 108.4 44.1 -69.1 -47.8 41.2 52.1 14.7 191 192 A I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 114.1 53.1 -65.8 -32.2 41.6 55.8 13.9 192 193 A T H X S+ 0 0 18 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.934 112.6 43.4 -65.2 -45.2 37.9 56.3 14.7 193 194 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.893 109.7 56.2 -67.3 -41.4 38.4 54.6 18.1 194 195 A H H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.934 110.2 45.8 -55.7 -47.9 41.7 56.5 18.8 195 196 A W H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.869 111.3 52.6 -64.5 -37.1 39.8 59.7 18.3 196 197 A M H X S+ 0 0 47 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 109.5 49.8 -63.1 -44.4 36.9 58.5 20.5 197 198 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.926 111.9 47.3 -60.8 -46.1 39.4 57.6 23.3 198 199 A Y H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.918 112.6 47.6 -64.0 -44.4 41.1 61.0 23.2 199 200 A K H X S+ 0 0 82 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.927 112.8 50.2 -63.3 -41.8 37.8 62.9 23.2 200 201 A A H X S+ 0 0 35 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 112.5 45.4 -61.8 -45.3 36.5 60.8 26.1 201 202 A Y H <>S+ 0 0 4 -4,-2.4 5,-1.5 2,-0.2 6,-1.4 0.803 111.6 54.0 -68.3 -29.9 39.7 61.3 28.2 202 203 A H H ><5S+ 0 0 75 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.949 109.6 45.9 -68.1 -49.5 39.6 65.0 27.4 203 204 A A H 3<5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 109.2 56.2 -60.2 -37.1 36.0 65.4 28.6 204 205 A L T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.681 115.1-123.8 -68.6 -17.2 37.0 63.3 31.6 205 206 A G T < 5S+ 0 0 43 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.399 84.6 110.0 90.2 -3.6 39.7 66.0 32.2 206 207 A K S - 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0 0 3 0, 0.0 3,-1.2 0, 0.0 -58,-0.2 -0.179 4.9-145.9 -50.5 126.0 36.7 51.3 4.6 246 247 A A T 3 S+ 0 0 47 1,-0.3 3,-0.3 2,-0.1 2,-0.2 0.856 100.4 44.5 -62.1 -37.5 33.8 50.1 6.8 247 248 A S T 3> S+ 0 0 13 -60,-2.6 4,-2.0 1,-0.2 -1,-0.3 -0.296 73.6 141.7-102.7 47.3 34.2 53.1 9.2 248 249 A W H <> S+ 0 0 67 -3,-1.2 4,-1.9 1,-0.2 3,-0.3 0.941 72.4 44.8 -52.1 -56.1 34.5 55.6 6.4 249 250 A Q H > S+ 0 0 120 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.896 109.8 55.5 -58.6 -43.0 32.5 58.3 8.1 250 251 A G H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 107.5 50.4 -58.1 -38.2 34.2 57.7 11.5 251 252 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 -3,-0.3 -1,-0.2 0.936 109.4 49.4 -65.8 -47.7 37.6 58.3 9.8 252 253 A V H X S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.867 112.3 48.7 -61.0 -38.1 36.6 61.6 8.2 253 254 A R H X S+ 0 0 130 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.943 111.7 48.7 -67.4 -46.4 35.1 62.9 11.5 254 255 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -41,-0.3 0.950 113.7 47.5 -56.6 -50.7 38.3 61.9 13.4 255 256 A K H X>S+ 0 0 59 -4,-3.0 5,-2.5 2,-0.2 4,-0.7 0.942 118.4 40.0 -55.0 -53.6 40.5 63.6 10.7 256 257 A E H ><5S+ 0 0 132 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.945 116.7 45.9 -64.9 -52.6 38.4 66.8 10.7 257 258 A E H 3<5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.6 47.6 -61.3 -36.3 37.6 67.2 14.4 258 259 A S H 3<5S- 0 0 11 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.587 108.0-122.9 -82.3 -9.8 41.2 66.6 15.3 259 260 A G T <<5S+ 0 0 36 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.839 72.5 123.1 70.8 31.3 42.6 68.9 12.7 260 261 A G < - 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