==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-08 3BW6 . COMPND 2 MOLECULE: SYNAPTOBREVIN HOMOLOG YKT6; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR O.PYLYPENKO,A.SCHONICHEN,D.LUDWIG,C.UNGERMANN,R.S.GOODY, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 71.5 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 . 33 24.1 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 28.5 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+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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 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 . 0 0 0 0 0 1 3 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 -1 A M 0 0 201 0, 0.0 2,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.1 -7.3 21.6 -15.8 2 0 A A - 0 0 50 1,-0.1 2,-1.2 134,-0.0 85,-0.1 -0.542 360.0-168.6 -73.3 87.7 -7.5 20.9 -12.1 3 1 A M + 0 0 27 -2,-1.6 133,-2.6 83,-0.1 2,-0.2 -0.672 17.8 179.4 -83.9 96.1 -5.9 24.1 -10.7 4 2 A R - 0 0 74 -2,-1.2 80,-1.6 131,-0.2 2,-0.5 -0.499 30.8-139.0-100.2 164.9 -5.4 23.2 -7.0 5 3 A I E +A 83 0A 0 126,-0.2 78,-0.2 78,-0.2 3,-0.1 -0.996 18.4 177.6-120.9 121.0 -3.9 25.0 -4.0 6 4 A Y E + 0 0 14 76,-2.5 20,-2.0 -2,-0.5 2,-0.3 0.627 65.4 15.8-100.5 -17.2 -1.8 22.7 -1.9 7 5 A Y E -AB 82 25A 0 75,-1.4 75,-2.1 18,-0.3 2,-0.3 -0.990 48.0-177.4-160.4 147.8 -0.7 25.2 0.7 8 6 A I E +AB 81 24A 2 16,-2.1 16,-1.7 -2,-0.3 2,-0.3 -0.984 21.8 167.6-143.1 130.0 -1.3 28.6 2.1 9 7 A G E -AB 80 23A 1 71,-2.2 71,-2.4 -2,-0.3 2,-0.5 -0.999 28.8-145.5-150.4 152.6 0.8 30.2 4.8 10 8 A V E -AB 79 22A 0 12,-2.7 11,-3.0 -2,-0.3 12,-1.6 -0.976 26.0-179.3-118.6 123.9 1.6 33.4 6.7 11 9 A F E -AB 78 20A 1 67,-3.4 67,-3.0 -2,-0.5 2,-0.6 -0.752 29.2-124.0-117.3 162.9 5.1 34.1 7.8 12 10 A R E -AB 77 19A 42 7,-1.8 7,-1.7 -2,-0.3 2,-0.5 -0.952 31.1-126.4-106.1 121.0 6.9 36.8 9.6 13 11 A S + 0 0 41 63,-2.8 2,-0.2 -2,-0.6 5,-0.1 -0.565 46.3 166.7 -67.6 119.5 9.7 38.1 7.6 14 12 A G - 0 0 41 -2,-0.5 4,-0.2 1,-0.1 -1,-0.0 -0.417 43.8-104.2-118.9-162.7 12.6 37.8 10.0 15 13 A G S S+ 0 0 79 2,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.916 111.6 33.1 -90.8 -69.0 16.4 38.0 9.7 16 14 A E S S- 0 0 182 1,-0.2 2,-0.3 0, 0.0 35,-0.0 0.975 137.0 -38.4 -49.9 -64.2 17.7 34.5 10.0 17 15 A K S S- 0 0 110 -5,-0.1 -2,-0.2 33,-0.0 -1,-0.2 -0.973 73.1 -79.8-163.3 152.2 14.7 33.0 8.2 18 16 A A - 0 0 7 29,-0.3 2,-0.6 -2,-0.3 -5,-0.2 -0.201 38.8-133.7 -57.8 146.2 10.9 33.6 8.1 19 17 A L E -B 12 0A 35 -7,-1.7 -7,-1.8 31,-0.1 2,-0.6 -0.919 15.3-131.4-105.4 119.0 8.8 32.2 10.9 20 18 A E E +B 11 0A 51 -2,-0.6 -9,-0.3 -9,-0.2 98,-0.2 -0.569 29.5 175.2 -70.4 116.2 5.6 30.4 9.8 21 19 A L E + 0 0 6 -11,-3.0 2,-0.3 -2,-0.6 98,-0.2 0.824 64.6 5.5 -92.3 -33.9 2.8 31.8 11.9 22 20 A S E +B 10 0A 7 -12,-1.6 -12,-2.7 101,-0.1 -1,-0.3 -0.981 69.2 168.8-154.0 137.7 -0.2 30.1 10.4 23 21 A E E -B 9 0A 69 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.967 14.2-176.6-149.9 162.5 -0.7 27.4 7.7 24 22 A V E -B 8 0A 13 -16,-1.7 -16,-2.1 -2,-0.3 2,-0.3 -0.965 11.4-167.6-156.3 148.8 -3.0 25.0 6.0 25 23 A K E -B 7 0A 71 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.867 18.7-147.8-136.0 168.3 -2.6 22.4 3.2 26 24 A D + 0 0 30 -20,-2.0 3,-0.4 -2,-0.3 -19,-0.0 -0.766 28.0 157.9-139.9 89.2 -4.6 20.2 0.9 27 25 A L > + 0 0 28 -2,-0.3 3,-1.9 1,-0.2 -21,-0.1 0.173 42.8 109.2 -99.2 18.8 -2.8 17.0 0.3 28 26 A S T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -22,-0.0 4,-0.1 0.480 70.0 68.1 -71.5 -0.9 -6.0 15.1 -0.7 29 27 A Q T 3 S+ 0 0 101 -3,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.526 98.2 61.0 -93.1 -10.4 -4.5 15.2 -4.2 30 28 A F S < S- 0 0 31 -3,-1.9 2,-0.1 1,-0.1 5,-0.1 -0.596 97.1 -79.9-112.5 173.7 -1.7 12.7 -3.2 31 29 A G >> - 0 0 12 -2,-0.2 4,-1.1 1,-0.1 3,-0.9 -0.477 33.5-123.9 -75.4 145.9 -1.5 9.1 -1.8 32 30 A F T 34 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.801 112.0 60.6 -55.9 -30.2 -2.2 8.6 1.9 33 31 A F T 34 S+ 0 0 165 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.830 112.4 32.5 -66.9 -37.8 1.3 6.9 1.9 34 32 A E T <> S+ 0 0 81 -3,-0.9 4,-3.0 1,-0.2 3,-0.4 0.421 83.8 102.7-103.3 -0.9 3.2 10.0 0.7 35 33 A R T < S+ 0 0 90 -4,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.412 82.7 58.1 -63.9 6.7 1.1 12.7 2.4 36 34 A S T > S+ 0 0 96 -3,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.809 110.9 35.1-100.5 -47.5 3.9 12.8 4.9 37 35 A S H > S+ 0 0 76 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.885 117.5 54.1 -74.7 -38.8 6.8 13.6 2.6 38 36 A V H X S+ 0 0 17 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.916 109.3 48.9 -62.1 -41.3 4.7 15.8 0.4 39 37 A G H > S+ 0 0 4 -5,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.946 109.0 51.9 -61.9 -48.9 3.7 17.8 3.4 40 38 A Q H X S+ 0 0 139 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.867 108.8 51.9 -54.2 -41.6 7.3 18.2 4.6 41 39 A F H X S+ 0 0 69 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.897 107.6 52.1 -61.4 -45.5 8.2 19.5 1.2 42 40 A M H X S+ 0 0 0 -4,-1.9 4,-3.6 2,-0.2 5,-0.2 0.960 110.4 47.1 -56.2 -56.0 5.5 22.0 1.3 43 41 A T H X S+ 0 0 51 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 117.2 42.9 -52.9 -49.7 6.6 23.4 4.7 44 42 A F H X S+ 0 0 131 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.910 115.7 48.8 -66.3 -43.3 10.2 23.6 3.6 45 43 A F H X S+ 0 0 11 -4,-3.4 4,-2.4 -5,-0.2 5,-0.2 0.944 111.8 49.5 -61.5 -48.5 9.4 25.0 0.2 46 44 A A H X S+ 0 0 0 -4,-3.6 4,-1.5 1,-0.2 -2,-0.2 0.923 113.8 45.2 -55.4 -50.0 7.1 27.7 1.7 47 45 A E H X S+ 0 0 35 -4,-2.3 4,-2.3 -5,-0.2 -29,-0.3 0.909 110.6 54.6 -62.6 -44.0 9.7 28.7 4.3 48 46 A T H X S+ 0 0 44 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.917 112.3 41.8 -59.2 -43.7 12.4 28.8 1.6 49 47 A V H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.732 111.8 56.1 -78.1 -19.4 10.5 31.1 -0.6 50 48 A A H < S+ 0 0 2 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.876 109.4 45.9 -76.7 -36.1 9.4 33.3 2.3 51 49 A S H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.798 109.3 55.3 -74.7 -29.2 13.0 33.9 3.4 52 50 A R H < S+ 0 0 137 -4,-1.3 2,-0.5 -5,-0.2 -1,-0.2 0.797 92.6 90.4 -72.2 -29.6 14.1 34.6 -0.2 53 51 A T < - 0 0 8 -4,-0.9 3,-0.1 -5,-0.1 18,-0.1 -0.577 65.7-149.2 -82.8 121.7 11.5 37.4 -0.5 54 52 A G > - 0 0 36 -2,-0.5 3,-1.8 1,-0.1 18,-0.5 -0.222 37.8 -73.7 -78.7 169.4 12.3 40.9 0.4 55 53 A A T 3 S+ 0 0 77 1,-0.3 18,-0.2 19,-0.1 19,-0.2 -0.433 119.9 12.2 -67.1 130.5 9.8 43.5 1.8 56 54 A G T 3 S+ 0 0 46 16,-3.5 2,-0.4 1,-0.3 -1,-0.3 0.499 102.0 128.8 82.0 3.3 7.4 44.9 -0.8 57 55 A Q E < -C 72 0A 77 -3,-1.8 15,-2.3 15,-0.5 2,-0.4 -0.776 38.7-170.3 -99.3 136.8 8.5 42.1 -3.1 58 56 A R E +C 71 0A 103 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.990 18.5 154.2-124.8 130.3 6.1 39.8 -5.0 59 57 A Q E -C 70 0A 44 11,-2.6 11,-3.3 -2,-0.4 2,-0.5 -0.981 35.6-139.4-153.9 163.0 7.3 36.7 -6.8 60 58 A S E -C 69 0A 42 -2,-0.3 2,-0.5 9,-0.2 9,-0.3 -0.949 21.1-159.0-128.3 107.0 6.3 33.2 -8.1 61 59 A I E -C 68 0A 21 7,-2.6 7,-3.1 -2,-0.5 2,-0.5 -0.759 9.0-141.7 -94.6 130.2 8.9 30.5 -7.8 62 60 A E E +C 67 0A 129 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.766 23.8 171.5 -90.9 126.3 8.7 27.4 -9.9 63 61 A E E > -C 66 0A 89 3,-2.4 3,-2.0 -2,-0.5 2,-0.5 -0.844 62.4 -57.8-137.6 98.6 9.6 24.1 -8.3 64 62 A G T 3 S- 0 0 62 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.561 119.7 -19.4 69.9-119.2 8.9 21.0 -10.2 65 63 A N T 3 S+ 0 0 131 -2,-0.5 20,-2.2 -3,-0.1 -1,-0.3 0.445 125.6 80.6-100.9 -0.9 5.2 21.0 -10.9 66 64 A Y E < -CD 63 84A 48 -3,-2.0 -3,-2.4 18,-0.2 2,-0.4 -0.576 62.5-149.0-103.6 165.5 4.3 23.5 -8.2 67 65 A I E -CD 62 83A 18 16,-2.5 16,-2.3 -5,-0.2 2,-0.8 -1.000 6.2-147.8-135.2 134.9 4.6 27.3 -8.0 68 66 A G E -CD 61 82A 0 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.6 -0.882 11.4-166.0-107.1 102.8 5.2 29.3 -4.9 69 67 A H E +CD 60 81A 0 12,-3.6 12,-3.6 -2,-0.8 2,-0.4 -0.793 19.7 174.1 -88.0 122.4 3.4 32.7 -5.1 70 68 A V E -CD 59 80A 0 -11,-3.3 -11,-2.6 -2,-0.6 2,-0.4 -0.992 20.2-179.0-138.0 140.7 4.9 34.8 -2.3 71 69 A Y E -CD 58 79A 47 8,-2.1 8,-2.6 -2,-0.4 2,-0.6 -0.952 10.7-159.9-142.3 117.7 4.5 38.4 -1.3 72 70 A A E -CD 57 78A 0 -15,-2.3 -16,-3.5 -18,-0.5 -15,-0.5 -0.870 17.2-148.0-100.4 117.2 6.3 40.0 1.6 73 71 A R > - 0 0 40 4,-2.6 3,-1.4 -2,-0.6 -60,-0.1 -0.436 19.9-118.8 -84.9 159.4 4.7 43.1 2.9 74 72 A S T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -19,-0.2 -19,-0.1 0.827 108.0 69.0 -63.7 -33.6 6.5 46.2 4.4 75 73 A E T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.1 -20,-0.0 0.666 122.4 -97.0 -61.3 -17.4 4.7 45.8 7.7 76 74 A G S < S+ 0 0 15 -3,-1.4 -63,-2.8 1,-0.4 2,-0.2 0.291 87.0 102.2 122.8 -16.2 6.7 42.6 8.3 77 75 A I E -A 12 0A 0 -65,-0.3 -4,-2.6 23,-0.1 -1,-0.4 -0.647 48.8-152.5-102.0 165.2 4.6 39.6 7.3 78 76 A C E -AD 11 72A 0 -67,-3.0 -67,-3.4 -6,-0.3 2,-0.3 -0.997 3.3-148.3-140.9 131.3 4.7 37.5 4.2 79 77 A G E -AD 10 71A 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.4 -0.767 13.4-168.0 -99.9 143.6 2.1 35.4 2.4 80 78 A V E -AD 9 70A 1 -71,-2.4 -71,-2.2 -2,-0.3 2,-0.5 -0.985 8.6-175.6-137.1 128.6 2.8 32.2 0.5 81 79 A L E -AD 8 69A 0 -12,-3.6 -12,-3.6 -2,-0.4 2,-0.7 -0.978 6.8-165.3-123.1 119.7 0.7 30.2 -1.9 82 80 A I E +AD 7 68A 0 -75,-2.1 -76,-2.5 -2,-0.5 -75,-1.4 -0.905 30.8 149.4-106.8 107.5 1.9 26.9 -3.3 83 81 A T E -AD 5 67A 0 -16,-2.3 -16,-2.5 -2,-0.7 -78,-0.2 -0.582 50.0 -62.3-124.4-175.3 -0.3 26.0 -6.2 84 82 A D E > - D 0 66A 27 -80,-1.6 3,-2.9 -18,-0.2 -18,-0.2 -0.452 50.4-109.9 -73.5 148.9 -0.1 24.1 -9.5 85 83 A K T 3 S+ 0 0 96 -20,-2.2 -1,-0.1 1,-0.3 -19,-0.1 0.777 119.9 43.3 -47.2 -33.1 2.2 25.4 -12.2 86 84 A E T 3 S+ 0 0 122 -21,-0.2 -1,-0.3 2,-0.1 -83,-0.1 0.182 77.3 132.7-107.2 21.8 -0.8 26.5 -14.2 87 85 A Y S < S- 0 0 8 -3,-2.9 2,-0.1 1,-0.1 -4,-0.1 -0.527 74.9 -92.7 -69.5 133.7 -3.0 28.0 -11.4 88 86 A P > - 0 0 51 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.296 35.4-148.4 -52.0 119.9 -4.3 31.4 -12.7 89 87 A V H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.928 89.5 51.5 -57.0 -58.0 -1.8 34.1 -11.6 90 88 A R H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 111.1 48.3 -50.2 -51.0 -4.1 37.1 -11.1 91 89 A P H > S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.930 111.4 52.5 -58.1 -40.7 -6.5 35.2 -8.9 92 90 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-0.3 0.930 109.3 46.8 -59.6 -48.5 -3.5 33.9 -6.9 93 91 A Y H X S+ 0 0 37 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 109.2 56.0 -63.9 -32.0 -2.1 37.4 -6.3 94 92 A T H X S+ 0 0 76 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.858 106.2 50.4 -69.0 -34.9 -5.6 38.6 -5.3 95 93 A L H X S+ 0 0 5 -4,-1.7 4,-3.0 -3,-0.3 5,-0.2 0.874 107.7 53.4 -70.2 -38.6 -5.8 35.9 -2.6 96 94 A L H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.936 109.3 47.9 -62.6 -44.9 -2.4 36.9 -1.2 97 95 A N H X S+ 0 0 47 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.855 112.9 50.3 -64.9 -31.4 -3.5 40.5 -0.8 98 96 A K H X S+ 0 0 60 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.952 112.7 44.3 -69.9 -50.7 -6.7 39.3 0.8 99 97 A I H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.931 116.9 46.5 -59.8 -45.8 -5.0 37.1 3.3 100 98 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.899 110.9 50.8 -66.0 -42.3 -2.4 39.7 4.1 101 99 A D H X S+ 0 0 75 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.924 115.5 43.7 -61.2 -42.9 -4.8 42.6 4.5 102 100 A E H X S+ 0 0 67 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.853 112.2 51.1 -71.1 -37.5 -6.9 40.5 6.9 103 101 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.921 107.7 52.9 -67.4 -41.4 -4.0 39.1 8.8 104 102 A L H < S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.723 112.6 46.3 -65.8 -22.9 -2.6 42.6 9.4 105 103 A V H < S+ 0 0 120 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.924 115.2 44.4 -83.0 -48.5 -5.9 43.7 10.7 106 104 A A H < S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.833 117.8 41.0 -65.8 -36.9 -6.5 40.7 13.0 107 105 A H S < S- 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 5,-0.1 -0.833 79.3-147.0-120.5 94.6 -3.0 40.5 14.5 108 106 A P > - 0 0 66 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.089 33.7-101.9 -51.0 157.9 -1.3 43.8 15.5 109 107 A K G >> S+ 0 0 119 1,-0.3 4,-2.5 2,-0.2 3,-1.4 0.844 117.6 63.6 -54.2 -39.5 2.5 43.9 15.1 110 108 A E G 34 S+ 0 0 168 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.664 92.3 67.9 -63.6 -12.4 3.2 43.5 18.7 111 109 A E G <4 S+ 0 0 89 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.783 122.7 6.1 -77.9 -26.0 1.6 40.1 18.7 112 110 A W T X4 S+ 0 0 3 -3,-1.4 3,-0.9 -4,-0.4 -2,-0.2 0.444 100.0 96.6-135.7 -5.5 4.2 38.4 16.5 113 111 A A T 3< S+ 0 0 27 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.894 100.2 27.2 -56.2 -43.1 7.1 40.9 16.0 114 112 A D T 3 S+ 0 0 155 -4,-0.3 2,-0.4 -5,-0.2 -1,-0.3 -0.556 88.5 125.0-122.3 67.3 9.1 39.4 18.7 115 113 A V < - 0 0 30 -3,-0.9 3,-0.1 -2,-0.3 -3,-0.0 -0.987 46.5-156.5-126.0 138.5 8.1 35.8 19.1 116 114 A T S S+ 0 0 141 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.749 85.7 7.0 -79.9 -25.4 10.5 32.9 18.9 117 115 A E S S- 0 0 144 -3,-0.1 -1,-0.1 -98,-0.1 2,-0.1 -0.915 84.4-100.7-148.0 169.1 7.7 30.6 17.8 118 116 A T - 0 0 51 -2,-0.3 2,-0.3 -98,-0.2 -97,-0.1 -0.343 31.2-166.2 -90.6 174.6 4.0 30.9 16.9 119 117 A N > - 0 0 74 -98,-0.2 3,-1.4 -2,-0.1 -1,-0.0 -0.889 40.0 -88.5-149.1 177.6 0.9 30.2 19.0 120 118 A D G > S+ 0 0 151 -2,-0.3 3,-1.5 1,-0.3 -2,-0.0 0.808 120.5 61.4 -63.0 -32.5 -2.8 29.7 18.7 121 119 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -10,-0.1 -10,-0.0 0.560 102.2 54.0 -72.2 -7.9 -3.6 33.4 19.0 122 120 A L G < S+ 0 0 0 -3,-1.4 -1,-0.3 -101,-0.1 2,-0.2 0.173 87.2 108.9-109.0 13.5 -1.5 34.0 15.8 123 121 A K < - 0 0 92 -3,-1.5 2,-0.6 -101,-0.1 -101,-0.1 -0.623 60.8-143.3 -91.6 151.7 -3.5 31.5 13.8 124 122 A M > - 0 0 6 -2,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.914 11.5-172.4-118.2 103.5 -5.8 32.5 11.0 125 123 A K T >> S+ 0 0 152 -2,-0.6 3,-1.3 1,-0.2 4,-0.7 0.820 78.0 72.5 -63.5 -35.6 -8.9 30.3 10.8 126 124 A Q H 3> S+ 0 0 97 1,-0.3 4,-3.2 2,-0.2 3,-0.4 0.729 83.9 72.5 -52.7 -24.5 -10.3 31.7 7.6 127 125 A L H <> S+ 0 0 0 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.932 87.2 60.1 -57.9 -47.2 -7.4 29.9 5.8 128 126 A D H <> S+ 0 0 72 -3,-1.3 4,-0.6 -4,-0.4 -1,-0.2 0.857 114.7 37.9 -47.3 -39.2 -9.2 26.6 6.4 129 127 A T H X S+ 0 0 79 -4,-0.7 4,-2.9 -3,-0.4 3,-0.5 0.894 112.5 54.8 -80.7 -46.6 -12.0 28.1 4.3 130 128 A Y H X S+ 0 0 14 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.840 103.4 56.5 -59.3 -34.7 -9.9 30.0 1.8 131 129 A I H < S+ 0 0 9 -4,-3.0 -126,-0.2 -5,-0.2 -1,-0.2 0.852 115.7 36.0 -68.6 -32.8 -7.9 26.9 0.7 132 130 A S H >< S+ 0 0 80 -4,-0.6 3,-1.4 -3,-0.5 -2,-0.2 0.927 117.2 52.6 -81.8 -51.1 -11.1 25.0 -0.2 133 131 A K H 3< S+ 0 0 116 -4,-2.9 2,-0.3 1,-0.3 -2,-0.2 0.932 107.1 49.3 -50.8 -58.5 -13.1 27.9 -1.5 134 132 A Y T 3< S+ 0 0 73 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.106 78.9 129.8 -78.6 28.8 -10.5 29.2 -4.0 135 133 A Q S < S+ 0 0 17 -3,-1.4 -131,-0.2 -2,-0.3 -3,-0.1 -0.647 75.8 2.3 -82.0 133.2 -9.8 25.8 -5.6 136 134 A D 0 0 70 -133,-2.6 -1,-0.2 -2,-0.3 -132,-0.1 0.972 360.0 360.0 53.4 84.3 -10.0 25.9 -9.4 137 135 A P 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.912 360.0 360.0 -74.6 360.0 -10.7 29.6 -10.3