==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-12 4E2Z . COMPND 2 MOLECULE: TCAB9; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA CHALCEA; . AUTHOR N.A.BRUENDER,H.M.HOLDEN . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 1 1 2 2 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 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 10 A P 0 0 179 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 140.3 54.8 -27.8 9.3 2 11 A T E -A 11 0A 57 9,-0.6 9,-1.9 53,-0.0 2,-0.4 -0.789 360.0-124.3-107.8 146.4 51.0 -28.0 9.8 3 12 A A E -A 10 0A 68 -2,-0.3 7,-0.2 7,-0.2 6,-0.2 -0.724 31.5-105.9 -88.2 135.8 48.8 -31.1 10.4 4 13 A C > - 0 0 6 5,-3.0 4,-1.5 -2,-0.4 -1,-0.1 -0.298 20.0-141.3 -48.5 132.4 45.8 -31.8 8.1 5 14 A R T 4 S+ 0 0 82 2,-0.2 172,-0.4 1,-0.2 -1,-0.1 0.648 98.5 44.3 -76.2 -16.7 42.5 -31.1 9.8 6 15 A V T 4 S+ 0 0 12 170,-0.1 -1,-0.2 44,-0.1 -2,-0.0 0.905 136.1 2.1 -88.3 -47.2 40.9 -34.2 8.2 7 16 A C T 4 S- 0 0 43 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.450 87.4-114.8-127.7 -6.2 43.5 -36.9 8.6 8 17 A G < + 0 0 51 -4,-1.5 -3,-0.1 1,-0.2 3,-0.1 0.380 68.4 139.4 76.7 -2.8 46.6 -35.5 10.5 9 18 A G - 0 0 13 -6,-0.2 -5,-3.0 1,-0.1 2,-0.3 0.002 62.8 -80.8 -58.8 175.4 48.9 -36.0 7.5 10 19 A G E -A 3 0A 32 -7,-0.2 36,-3.0 -3,-0.1 2,-0.5 -0.657 38.7-141.4 -86.7 137.2 51.4 -33.3 6.5 11 20 A V E -AB 2 45A 15 -9,-1.9 -9,-0.6 -2,-0.3 2,-0.6 -0.878 9.2-155.9-101.6 126.4 50.3 -30.2 4.6 12 21 A Q E - B 0 44A 82 32,-2.6 32,-1.8 -2,-0.5 2,-0.1 -0.886 16.6-132.3-101.8 121.7 52.6 -28.8 1.9 13 22 A E E + B 0 43A 64 -2,-0.6 30,-0.3 30,-0.3 3,-0.1 -0.405 32.8 164.1 -70.7 142.1 52.2 -25.1 1.0 14 23 A F E + 0 0 12 28,-2.9 2,-0.3 1,-0.3 29,-0.2 0.452 65.2 38.7-128.6 -9.7 51.9 -24.1 -2.6 15 24 A L E - B 0 42A 10 27,-1.6 27,-2.5 272,-0.0 2,-0.6 -0.976 56.5-168.0-146.3 127.4 50.5 -20.5 -2.5 16 25 A D E + B 0 41A 77 -2,-0.3 25,-0.2 25,-0.2 3,-0.1 -0.954 7.5 177.0-121.5 110.5 51.4 -17.7 0.0 17 26 A L E - 0 0 3 23,-2.3 24,-0.2 -2,-0.6 -1,-0.1 0.268 38.5-138.3 -94.4 10.5 49.0 -14.7 -0.2 18 27 A G E - 0 0 25 22,-0.4 22,-2.9 21,-0.1 2,-0.3 -0.136 50.5 -6.5 72.7-161.5 50.7 -12.9 2.7 19 28 A R E + B 0 39A 150 20,-0.2 20,-0.2 306,-0.1 18,-0.0 -0.536 69.2 179.1 -77.3 137.1 49.3 -11.0 5.6 20 29 A Q E - B 0 38A 1 18,-2.4 18,-1.7 -2,-0.3 2,-0.1 -0.962 21.6-132.8-139.7 148.2 45.5 -10.5 5.4 21 30 A P E - B 0 37A 4 0, 0.0 193,-0.3 0, 0.0 2,-0.3 -0.387 49.7 -72.7 -86.8 173.6 42.7 -8.9 7.5 22 31 A L > - 0 0 16 14,-0.8 3,-1.0 1,-0.1 40,-0.0 -0.533 45.7-143.3 -62.1 132.1 39.3 -10.4 8.5 23 32 A S T 3 S+ 0 0 1 -2,-0.3 298,-0.1 1,-0.3 -1,-0.1 0.760 90.9 45.6 -81.7 -22.1 37.4 -10.3 5.3 24 33 A D T 3 S+ 0 0 16 325,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.165 83.3 106.1-109.0 17.7 33.9 -9.5 6.7 25 34 A R < - 0 0 82 -3,-1.0 2,-0.6 42,-0.1 42,-0.1 -0.889 47.2-174.2 -99.2 116.1 34.9 -6.7 9.1 26 35 A F - 0 0 21 -2,-0.7 2,-0.2 317,-0.1 323,-0.2 -0.960 13.7-151.2-112.1 110.3 33.8 -3.3 7.6 27 36 A R B -E 348 0B 10 321,-1.0 321,-2.5 -2,-0.6 6,-0.0 -0.473 17.5-113.6 -88.4 145.5 35.0 -0.4 9.8 28 37 A K > - 0 0 102 319,-0.2 3,-1.9 -2,-0.2 319,-0.2 -0.483 37.7-111.9 -65.0 150.9 33.5 3.0 10.3 29 38 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 318,-0.1 0.808 115.6 55.1 -62.9 -24.8 35.8 5.6 8.8 30 39 A D T 3 S+ 0 0 161 2,-0.0 3,-0.1 3,-0.0 -2,-0.0 0.506 82.7 116.2 -83.4 -5.6 36.7 7.0 12.2 31 40 A E S < S- 0 0 79 -3,-1.9 -4,-0.1 1,-0.1 0, 0.0 -0.351 80.0 -94.0 -64.4 145.5 37.8 3.7 13.7 32 41 A L - 0 0 137 1,-0.1 2,-2.0 -2,-0.0 -1,-0.1 -0.311 39.1-116.3 -48.7 134.9 41.4 3.2 14.8 33 42 A D S S+ 0 0 110 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.584 76.2 119.5 -80.9 70.3 43.3 1.7 11.9 34 43 A D + 0 0 106 -2,-2.0 2,-0.3 2,-0.0 -2,-0.0 -0.980 35.8 171.4-128.6 139.2 44.1 -1.5 13.8 35 44 A E - 0 0 25 -2,-0.4 2,-0.2 315,-0.0 -2,-0.0 -0.992 38.6-105.7-144.2 145.9 42.9 -4.9 12.5 36 45 A F - 0 0 77 -2,-0.3 -14,-0.8 25,-0.1 2,-0.3 -0.522 45.2-174.0 -59.3 130.7 43.4 -8.5 13.3 37 46 A T E +B 21 0A 62 -2,-0.2 2,-0.3 -16,-0.2 -18,-0.1 -0.896 12.4 177.6-128.2 165.7 45.7 -10.1 10.7 38 47 A Y E -B 20 0A 2 -18,-1.7 -18,-2.4 -2,-0.3 2,-0.7 -0.932 40.0 -93.5-153.0 166.7 46.9 -13.6 10.0 39 48 A R E -B 19 0A 79 -2,-0.3 2,-0.7 -20,-0.2 -20,-0.2 -0.833 35.5-154.1 -93.0 120.0 49.0 -15.3 7.3 40 49 A L E + 0 0 1 -22,-2.9 -23,-2.3 -2,-0.7 -22,-0.4 -0.784 33.5 143.1 -96.2 116.2 46.9 -16.6 4.5 41 50 A A E -B 16 0A 0 -2,-0.7 13,-2.0 -25,-0.2 2,-0.4 -0.985 34.2-142.9-147.3 153.6 48.6 -19.5 2.7 42 51 A V E +BC 15 53A 0 -27,-2.5 -28,-2.9 -2,-0.3 -27,-1.6 -0.939 20.7 167.7-127.9 146.1 47.2 -22.7 1.2 43 52 A G E -BC 13 52A 0 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.842 28.5-118.6-143.6-178.1 48.6 -26.2 1.0 44 53 A R E -BC 12 51A 33 -32,-1.8 -32,-2.6 -2,-0.3 7,-0.2 -0.992 30.2-113.3-134.5 128.9 47.7 -29.8 0.2 45 54 A C E > -B 11 0A 0 5,-2.5 4,-0.8 -2,-0.4 -34,-0.2 -0.398 16.8-140.8 -59.7 136.8 47.7 -32.8 2.6 46 55 A D T 4 S+ 0 0 85 -36,-3.0 -1,-0.1 1,-0.1 -35,-0.1 0.709 96.4 35.4 -65.2 -28.3 50.3 -35.4 1.8 47 56 A S T 4 S+ 0 0 74 -37,-0.2 -1,-0.1 3,-0.1 -36,-0.1 0.842 128.8 21.0-105.3 -44.0 47.9 -38.3 2.7 48 57 A C T 4 S- 0 0 9 2,-0.1 179,-0.2 179,-0.0 180,-0.2 0.377 91.3-122.8-114.9 2.2 44.2 -37.4 1.7 49 58 A E < + 0 0 73 -4,-0.8 2,-0.4 1,-0.2 175,-0.2 0.503 53.4 156.2 67.3 10.1 44.7 -34.7 -0.9 50 59 A M - 0 0 0 174,-0.1 -5,-2.5 173,-0.1 2,-0.5 -0.480 35.5-144.6 -68.8 124.8 42.6 -32.1 1.0 51 60 A V E +C 44 0A 0 168,-0.5 168,-2.1 -2,-0.4 2,-0.3 -0.767 37.1 151.5 -90.8 132.6 43.6 -28.6 0.0 52 61 A Q E -CD 43 218A 3 -9,-2.5 -9,-2.6 -2,-0.5 166,-0.2 -0.989 46.1 -89.3-157.3 156.4 43.3 -26.3 3.0 53 62 A L E -C 42 0A 5 164,-1.9 -11,-0.2 -2,-0.3 3,-0.1 -0.310 26.7-138.2 -64.1 156.6 44.7 -23.1 4.6 54 63 A T S S+ 0 0 19 -13,-2.0 2,-0.4 1,-0.2 -12,-0.1 0.560 86.8 45.2 -97.6 -9.6 47.7 -23.3 6.9 55 64 A E S S- 0 0 76 -14,-0.4 2,-0.3 -16,-0.2 -1,-0.2 -0.992 75.3-146.1-129.8 129.6 46.5 -20.8 9.7 56 65 A E - 0 0 79 -2,-0.4 158,-0.1 -3,-0.1 -16,-0.0 -0.734 7.5-140.6 -89.9 140.2 43.0 -20.9 11.1 57 66 A V - 0 0 10 -2,-0.3 5,-0.1 157,-0.3 -19,-0.0 -0.852 37.4-103.3 -86.3 128.2 41.2 -17.8 12.2 58 67 A P >> - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.277 29.0-124.7 -58.1 139.9 39.2 -18.5 15.5 59 68 A R H >> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 3,-1.2 0.847 105.5 58.9 -56.4 -40.3 35.5 -18.9 14.7 60 69 A D H 34 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.675 98.1 61.4 -69.5 -15.8 34.2 -16.3 17.1 61 70 A L H <4 S+ 0 0 66 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.750 116.6 30.4 -76.2 -24.0 36.3 -13.6 15.3 62 71 A M H << S+ 0 0 14 -3,-1.2 2,-0.5 -4,-0.7 -2,-0.2 0.823 119.3 48.0 -98.8 -38.7 34.4 -14.2 12.1 63 72 A F S < S+ 0 0 4 -4,-2.7 2,-0.2 4,-0.1 -1,-0.2 -0.935 76.8 104.0-120.4 117.8 30.9 -15.3 13.1 64 73 A H S > S- 0 0 53 -2,-0.5 3,-1.8 -3,-0.1 65,-0.4 -0.881 80.2 -46.4-174.5-165.2 29.1 -13.3 15.7 65 74 A E T 3 S+ 0 0 133 1,-0.3 64,-0.8 -2,-0.2 65,-0.1 0.784 129.3 39.1 -64.6 -33.3 26.3 -10.8 16.4 66 75 A V T 3 S+ 0 0 115 63,-0.1 -1,-0.3 62,-0.1 61,-0.1 0.193 71.9 145.0-105.9 14.5 27.3 -8.3 13.6 67 76 A Y < - 0 0 12 -3,-1.8 63,-0.2 1,-0.1 -42,-0.1 -0.308 37.3-154.7 -51.4 131.2 28.3 -10.7 10.8 68 77 A P + 0 0 7 0, 0.0 2,-0.4 0, 0.0 275,-0.2 0.514 49.9 112.1-100.1 -0.8 27.2 -8.8 7.7 69 78 A Y - 0 0 51 274,-0.1 2,-0.6 1,-0.0 61,-0.0 -0.562 42.9-167.1 -81.3 128.5 26.5 -11.2 4.9 70 79 A H > - 0 0 44 -2,-0.4 3,-1.8 1,-0.1 4,-0.1 -0.911 7.5-162.0-113.9 106.8 22.8 -11.5 3.9 71 80 A S G > S+ 0 0 1 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.834 84.9 65.7 -50.6 -41.3 22.1 -14.5 1.6 72 81 A S G 3 S+ 0 0 23 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.441 74.1 92.2 -73.7 4.0 18.8 -13.1 0.4 73 82 A G G < S+ 0 0 45 -3,-1.8 2,-0.5 4,-0.1 -1,-0.3 0.603 76.9 67.6 -67.0 -8.3 20.5 -10.2 -1.4 74 83 A S <> - 0 0 6 -3,-1.1 4,-2.1 1,-0.1 5,-0.1 -0.953 64.9-157.3-120.6 123.1 20.7 -12.1 -4.7 75 84 A S H > S+ 0 0 52 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.872 97.6 56.7 -60.1 -41.8 17.6 -13.0 -6.6 76 85 A V H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 109.6 45.5 -54.9 -47.9 19.5 -15.9 -8.4 77 86 A M H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 108.2 55.4 -69.1 -35.1 20.4 -17.3 -4.9 78 87 A R H X S+ 0 0 120 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 113.6 42.3 -61.7 -43.1 16.8 -17.0 -3.6 79 88 A E H X S+ 0 0 108 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 111.4 55.6 -68.2 -36.0 15.6 -19.0 -6.6 80 89 A H H X S+ 0 0 33 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.919 113.2 41.0 -61.7 -49.3 18.5 -21.5 -6.3 81 90 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.860 110.9 55.0 -76.9 -32.1 17.6 -22.3 -2.6 82 91 A A H X S+ 0 0 14 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.923 110.2 48.2 -60.8 -44.0 13.8 -22.4 -3.0 83 92 A M H X S+ 0 0 101 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 110.3 50.3 -61.7 -42.9 14.2 -25.0 -5.8 84 93 A L H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.931 110.7 51.1 -62.8 -43.3 16.6 -27.1 -3.7 85 94 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.916 110.6 47.5 -61.1 -44.0 14.1 -26.9 -0.8 86 95 A R H X S+ 0 0 114 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.905 109.4 54.5 -64.8 -40.5 11.3 -28.1 -3.1 87 96 A D H X S+ 0 0 81 -4,-2.5 4,-0.6 1,-0.2 5,-0.3 0.928 110.3 45.8 -56.5 -46.1 13.5 -30.9 -4.4 88 97 A F H ><>S+ 0 0 15 -4,-2.5 5,-2.2 1,-0.2 3,-0.9 0.901 110.5 54.1 -64.4 -38.4 14.1 -32.1 -0.8 89 98 A L H 3<5S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.7 45.4 -61.6 -36.0 10.3 -31.8 -0.1 90 99 A A H 3<5S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.540 130.4 17.2 -80.4 -9.2 9.6 -34.0 -3.1 91 100 A T T X<5S+ 0 0 85 -3,-0.9 3,-0.8 -4,-0.6 -3,-0.2 0.574 129.8 23.0-128.6 -75.0 12.3 -36.7 -2.3 92 101 A E T 3 5S+ 0 0 51 -5,-0.3 3,-0.2 1,-0.2 -3,-0.2 0.655 120.2 52.0 -84.7 -13.1 13.9 -36.9 1.1 93 102 A L T 3 > - 0 0 0 19,-1.4 3,-2.2 -3,-0.5 4,-0.5 0.632 14.7-177.6 -69.9 -14.5 20.9 -21.0 7.6 106 115 A N T 34 - 0 0 0 18,-0.3 28,-0.3 1,-0.3 -1,-0.2 -0.211 69.2 -8.4 54.6-132.9 21.7 -17.2 7.6 107 116 A D T 34 S- 0 0 7 26,-0.1 -1,-0.3 1,-0.1 30,-0.1 0.345 108.2 -92.8 -79.1 9.3 18.6 -15.1 6.9 108 117 A G T <> S+ 0 0 0 -3,-2.2 4,-2.3 3,-0.0 5,-0.2 0.622 71.7 152.6 91.6 15.0 16.5 -18.2 6.1 109 118 A I T < S+ 0 0 5 -4,-0.5 4,-0.2 1,-0.2 -3,-0.1 0.804 82.0 23.4 -43.5 -41.7 17.0 -18.2 2.3 110 119 A M T >> S+ 0 0 0 -5,-0.4 3,-1.2 2,-0.1 4,-0.8 0.858 119.2 56.7 -92.3 -47.6 16.4 -22.0 2.1 111 120 A L H 3> S+ 0 0 0 1,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.761 89.1 73.9 -68.8 -25.9 14.4 -22.8 5.3 112 121 A R H 3X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.899 97.2 50.3 -51.0 -41.5 11.5 -20.4 4.5 113 122 A T H <> S+ 0 0 24 -3,-1.2 4,-1.0 -5,-0.2 -1,-0.2 0.883 111.1 49.1 -65.6 -37.0 10.3 -22.8 1.8 114 123 A I H ><>S+ 0 0 0 -4,-0.8 5,-1.8 2,-0.2 3,-0.5 0.938 112.1 48.0 -64.4 -48.8 10.5 -25.7 4.3 115 124 A Q H ><5S+ 0 0 66 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.861 108.8 54.2 -61.9 -39.4 8.5 -23.7 7.0 116 125 A E H 3<5S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.717 104.4 55.5 -72.4 -22.0 5.9 -22.7 4.4 117 126 A A T <<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.393 115.9-117.4 -84.2 -1.4 5.4 -26.4 3.6 118 127 A G T < 5 + 0 0 70 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.657 63.6 148.1 75.7 15.1 4.7 -27.1 7.3 119 128 A V < - 0 0 23 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.675 53.8-108.5 -88.0 135.4 7.7 -29.4 7.7 120 129 A R E +l 99 0C 82 -22,-0.6 -20,-1.8 -2,-0.3 2,-0.3 -0.364 54.1 155.6 -61.1 134.1 9.6 -29.6 11.0 121 130 A H E -l 100 0C 19 -22,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.938 31.0-157.0-154.3 170.0 13.0 -28.0 10.8 122 131 A L E -l 101 0C 5 -22,-1.6 -20,-2.0 -2,-0.3 2,-0.4 -0.871 9.2-154.6-158.8 121.5 15.8 -26.3 12.7 123 132 A G E -ln 102 141C 0 17,-2.7 19,-3.3 -2,-0.3 2,-0.6 -0.856 8.4-147.3 -95.0 139.4 18.5 -23.9 11.5 124 133 A F E +ln 103 142C 0 -22,-3.0 -20,-1.8 -2,-0.4 -19,-1.4 -0.898 30.2 160.0 -99.0 123.6 21.9 -23.5 13.2 125 134 A E - 0 0 0 17,-2.6 20,-0.2 -2,-0.6 6,-0.1 -0.751 19.3-178.1-148.2 97.4 23.0 -19.8 12.9 126 135 A P + 0 0 14 0, 0.0 2,-0.9 0, 0.0 19,-0.2 0.499 68.8 85.4 -78.8 -6.5 25.7 -18.7 15.4 127 136 A S S > S- 0 0 0 1,-0.1 4,-2.1 17,-0.1 3,-0.3 -0.848 70.6-160.8 -94.7 103.5 25.6 -15.1 13.9 128 137 A S H > S+ 0 0 44 -2,-0.9 4,-1.9 1,-0.2 -63,-0.2 0.750 78.3 58.0 -67.5 -30.7 22.7 -13.7 15.9 129 138 A G H > S+ 0 0 35 -64,-0.8 4,-1.1 -65,-0.4 -1,-0.2 0.943 112.6 39.7 -64.5 -46.3 21.7 -10.7 13.7 130 139 A V H > S+ 0 0 1 -3,-0.3 4,-1.5 1,-0.2 3,-0.2 0.879 111.0 60.3 -71.6 -33.6 21.1 -12.8 10.6 131 140 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.899 101.7 54.4 -53.9 -42.4 19.4 -15.5 12.8 132 141 A A H X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.888 103.0 55.7 -62.7 -38.0 16.9 -12.9 13.9 133 142 A K H < S+ 0 0 96 -4,-1.1 4,-0.5 -3,-0.2 -1,-0.2 0.871 109.4 47.0 -61.5 -37.9 16.0 -12.2 10.2 134 143 A A H ><>S+ 0 0 0 -4,-1.5 5,-1.6 -28,-0.3 3,-1.3 0.916 109.1 53.5 -68.4 -42.4 15.2 -15.9 9.7 135 144 A R H ><5S+ 0 0 112 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.842 99.3 62.8 -65.9 -29.9 13.1 -16.0 12.9 136 145 A E T 3<5S+ 0 0 150 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.727 98.8 55.9 -63.4 -22.0 11.0 -13.1 11.7 137 146 A K T < 5S- 0 0 60 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.356 127.9-101.8 -88.0 6.0 9.9 -15.3 8.7 138 147 A G T < 5S+ 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.532 73.8 148.0 80.9 12.2 8.7 -17.9 11.3 139 148 A I < - 0 0 6 -5,-1.6 2,-0.6 1,-0.1 -1,-0.3 -0.531 51.2-121.5 -74.3 138.8 11.7 -20.2 10.9 140 149 A R + 0 0 122 -2,-0.2 -17,-2.7 -29,-0.1 2,-0.4 -0.741 42.6 174.1 -77.4 119.3 13.0 -22.2 13.9 141 150 A V E -n 123 0C 12 -2,-0.6 2,-0.4 -19,-0.2 -17,-0.2 -0.983 27.6-155.0-134.5 139.0 16.6 -21.2 14.6 142 151 A R E -n 124 0C 56 -19,-3.3 -17,-2.6 -2,-0.4 2,-1.8 -0.972 19.5-139.5-110.3 129.0 19.3 -22.0 17.3 143 152 A T + 0 0 53 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.1 -0.576 67.7 99.9 -88.7 76.2 22.0 -19.3 17.7 144 153 A D S S- 0 0 61 -2,-1.8 2,-0.3 -17,-0.1 -17,-0.1 -0.970 76.9-101.0-152.1 157.0 24.9 -21.9 18.1 145 154 A F - 0 0 21 -2,-0.3 2,-0.4 -20,-0.2 5,-0.2 -0.632 40.5-116.5 -77.7 137.5 27.7 -23.4 16.0 146 155 A F + 0 0 0 -2,-0.3 2,-0.3 -22,-0.1 33,-0.1 -0.666 59.5 131.1 -65.7 130.5 26.9 -26.9 14.7 147 156 A E S > S- 0 0 48 -2,-0.4 4,-2.4 31,-0.1 5,-0.2 -0.908 72.1 -70.5-167.6 178.9 29.5 -29.3 16.2 148 157 A K H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 126.6 44.7 -51.8 -51.9 29.4 -32.7 18.0 149 158 A A H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 113.7 46.1 -69.1 -36.6 27.8 -31.4 21.3 150 159 A T H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 112.3 53.4 -73.6 -32.9 25.1 -29.2 19.9 151 160 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 107.0 51.9 -60.8 -45.6 24.1 -32.0 17.4 152 161 A D H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.884 107.8 52.5 -56.8 -39.0 23.8 -34.4 20.4 153 162 A D H X S+ 0 0 52 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.933 110.0 46.7 -68.5 -42.7 21.5 -31.9 22.1 154 163 A V H X>S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 5,-0.5 0.921 110.6 53.4 -65.4 -41.3 19.2 -31.6 19.1 155 164 A R H X5S+ 0 0 98 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.943 108.2 51.6 -57.2 -44.5 19.2 -35.4 18.7 156 165 A R H <5S+ 0 0 182 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.871 122.4 27.8 -61.9 -39.7 18.1 -35.7 22.4 157 166 A T H <5S+ 0 0 67 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.734 133.2 27.4 -96.4 -24.9 15.2 -33.3 22.1 158 167 A E H <5S- 0 0 40 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.511 95.4-130.8-118.4 -10.4 14.0 -33.5 18.4 159 168 A G << - 0 0 22 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.1 -0.253 52.6 -20.7 81.4-177.1 15.0 -37.0 17.2 160 169 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 27,-0.2 -0.307 59.7-128.4 -71.0 148.6 16.8 -37.9 14.0 161 170 A A E - o 0 187C 0 25,-2.6 27,-2.8 1,-0.1 -61,-0.2 -0.836 5.5-156.9 -95.6 132.7 17.1 -35.7 11.0 162 171 A N E S+ 0 0 41 -63,-1.8 30,-1.7 -2,-0.5 2,-0.4 0.854 85.4 20.0 -69.9 -36.2 16.2 -37.0 7.6 163 172 A V E -mo 100 192C 0 -64,-1.3 -62,-2.3 28,-0.2 2,-0.4 -0.997 59.1-169.9-135.5 137.0 18.4 -34.3 5.9 164 173 A I E -mo 101 193C 0 28,-1.9 30,-2.6 -2,-0.4 2,-0.4 -0.999 23.0-175.0-114.4 127.6 21.2 -32.2 7.2 165 174 A Y E +mo 102 194C 0 -64,-2.5 -62,-2.9 -2,-0.4 2,-0.3 -0.949 14.8 177.1-128.7 143.9 22.2 -29.5 4.7 166 175 A A E -mo 103 195C 0 28,-2.0 30,-2.0 -2,-0.4 2,-0.5 -0.959 5.0-172.0-145.6 127.8 24.9 -26.9 4.5 167 176 A A E S- o 0 196C 0 -64,-0.6 30,-0.2 -2,-0.3 83,-0.0 -0.972 76.4 -13.2-119.6 129.3 25.7 -24.4 1.7 168 177 A N S S+ 0 0 23 28,-3.2 -1,-0.1 -2,-0.5 29,-0.1 0.806 121.3 84.5 56.1 30.7 28.8 -22.2 1.7 169 178 A T S > S+ 0 0 0 27,-0.3 3,-1.8 -3,-0.1 4,-0.2 0.555 71.1 58.9-131.9 -46.2 29.4 -23.2 5.3 170 179 A L G > S+ 0 0 0 1,-0.3 3,-2.1 26,-0.2 27,-0.1 0.908 97.3 68.1 -58.2 -41.5 31.2 -26.5 5.6 171 180 A C G 3 S+ 0 0 4 1,-0.3 47,-2.3 25,-0.2 46,-1.1 0.662 103.3 46.0 -40.4 -32.7 34.1 -24.9 3.6 172 181 A H G < S+ 0 0 8 -3,-1.8 -1,-0.3 44,-0.2 -2,-0.2 0.280 87.6 92.6-108.2 14.4 34.8 -22.7 6.6 173 182 A I < - 0 0 2 -3,-2.1 3,-0.5 -4,-0.2 6,-0.1 -0.876 45.1-178.1-108.2 100.3 34.7 -25.1 9.5 174 183 A P S S+ 0 0 13 0, 0.0 2,-0.8 0, 0.0 3,-0.4 0.788 80.7 69.4 -67.0 -21.8 38.2 -26.4 10.2 175 184 A Y > + 0 0 37 1,-0.2 4,-1.7 -3,-0.1 3,-0.4 -0.245 60.7 142.5 -87.3 40.7 36.7 -28.7 12.9 176 185 A V H > + 0 0 0 -2,-0.8 4,-2.6 -3,-0.5 -1,-0.2 0.788 63.9 61.5 -55.1 -31.1 35.1 -30.7 10.2 177 186 A Q H > S+ 0 0 89 -3,-0.4 4,-2.3 -172,-0.4 -1,-0.2 0.946 103.9 49.2 -66.4 -43.6 35.7 -33.9 12.2 178 187 A S H > S+ 0 0 29 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.909 111.3 50.0 -54.6 -42.5 33.6 -32.6 15.0 179 188 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.930 109.0 51.8 -63.5 -44.9 30.8 -31.7 12.5 180 189 A L H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.857 108.8 50.2 -57.9 -40.5 31.1 -35.3 11.0 181 190 A E H X S+ 0 0 107 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.847 110.9 50.1 -63.5 -39.0 30.6 -36.7 14.5 182 191 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.896 109.7 50.0 -62.7 -44.6 27.6 -34.4 15.0 183 192 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.928 109.3 52.9 -62.6 -41.9 26.1 -35.6 11.7 184 193 A D H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 111.7 44.7 -60.4 -40.8 26.7 -39.2 12.8 185 194 A A H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.855 124.4 33.7 -68.7 -33.5 24.8 -38.6 16.1 186 195 A L H < S+ 0 0 0 -4,-2.1 -25,-2.6 -5,-0.1 -2,-0.2 0.736 91.2 93.5 -94.5 -31.1 21.9 -36.7 14.4 187 196 A L E < S-o 161 0C 1 -4,-3.0 -25,-0.2 -27,-0.2 6,-0.1 -0.476 76.5-113.0 -77.9 140.4 21.3 -38.1 10.9 188 197 A A E > - 0 0 6 -27,-2.8 3,-1.7 -2,-0.2 -1,-0.1 -0.190 33.1-107.8 -54.1 153.7 18.6 -40.8 10.4 189 198 A P E 3 S+ 0 0 100 0, 0.0 66,-0.3 0, 0.0 -1,-0.1 0.859 122.7 36.5 -58.9 -33.8 20.1 -44.2 9.3 190 199 A D E 3 S+ 0 0 107 64,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.062 100.4 112.1-104.6 23.7 18.7 -43.6 5.8 191 200 A G E < - 0 0 0 -3,-1.7 64,-0.5 -30,-0.1 2,-0.4 -0.294 57.9-128.6 -87.7 180.0 19.3 -39.8 5.7 192 201 A V E -o 163 0C 1 -30,-1.7 -28,-1.9 62,-0.1 2,-0.6 -0.979 3.1-150.6-131.4 145.8 21.6 -37.7 3.7 193 202 A F E -oP 164 253C 0 60,-2.5 60,-3.1 -2,-0.4 2,-0.5 -0.977 27.7-175.6-109.2 117.1 24.2 -35.0 4.6 194 203 A V E +oP 165 252C 5 -30,-2.6 -28,-2.0 -2,-0.6 2,-0.3 -0.957 7.4 169.8-121.4 127.3 24.3 -32.7 1.6 195 204 A F E -oP 166 251C 0 56,-2.2 56,-3.2 -2,-0.5 2,-0.4 -0.996 16.6-160.7-137.6 148.1 26.7 -29.8 1.3 196 205 A E E +oP 167 250C 0 -30,-2.0 -28,-3.2 -2,-0.3 -27,-0.3 -0.992 23.6 152.9-130.7 135.3 27.6 -27.4 -1.5 197 206 A D E - P 0 249C 0 52,-1.5 52,-1.7 -2,-0.4 22,-0.0 -0.949 52.1 -60.9-152.5 160.9 30.9 -25.3 -1.6 198 207 A P E - P 0 248C 5 0, 0.0 2,-0.4 0, 0.0 22,-0.4 -0.295 58.6-125.1 -50.7 133.3 33.4 -23.7 -4.0 199 208 A Y > - 0 0 4 48,-2.4 4,-2.0 1,-0.1 3,-0.5 -0.728 4.7-143.0 -94.9 129.8 35.0 -26.3 -6.2 200 209 A L H > S+ 0 0 2 20,-2.5 4,-2.6 -2,-0.4 5,-0.3 0.859 102.0 57.9 -50.9 -39.1 38.8 -26.8 -6.5 201 210 A G H > S+ 0 0 12 19,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.901 108.3 45.0 -66.2 -38.0 38.4 -27.6 -10.2 202 211 A D H > S+ 0 0 17 -3,-0.5 4,-2.3 2,-0.2 6,-0.3 0.890 111.2 53.5 -66.3 -42.1 36.8 -24.3 -10.9 203 212 A I H X>S+ 0 0 2 -4,-2.0 5,-1.5 2,-0.2 4,-1.0 0.933 113.5 42.6 -58.7 -48.7 39.3 -22.4 -8.8 204 213 A V H <5S+ 0 0 26 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.902 116.3 47.8 -64.2 -42.6 42.2 -23.9 -10.8 205 214 A A H <5S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.847 122.6 33.3 -67.2 -35.7 40.6 -23.5 -14.2 206 215 A K H <5S- 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.450 99.0-128.4-101.5 -1.5 39.5 -19.9 -13.6 207 216 A T T <5 + 0 0 9 -4,-1.0 2,-1.8 -3,-0.3 3,-0.2 0.903 46.6 168.0 50.1 41.4 42.5 -18.8 -11.4 208 217 A S > < + 0 0 2 -5,-1.5 3,-2.0 -6,-0.3 -1,-0.2 -0.421 8.5 157.8 -87.8 68.3 39.8 -17.6 -9.0 209 218 A F G > + 0 0 1 -2,-1.8 3,-2.2 1,-0.3 -1,-0.2 0.665 59.8 77.8 -72.1 -19.5 42.2 -17.0 -6.1 210 219 A D G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 112,-0.2 0.603 79.4 72.0 -65.0 -11.9 39.7 -14.5 -4.5 211 220 A Q G < S+ 0 0 8 -3,-2.0 2,-0.6 111,-0.1 -1,-0.3 0.573 83.8 83.5 -73.5 -6.6 37.8 -17.6 -3.4 212 221 A I < + 0 0 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