==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-09 2WZC . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.W.BOWLER,M.J.CLIFF,J.P.M.MARSTON,N.J.BAXTER,A.M.H.HOWNSLOW . 405 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.2 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 . 1 0.2 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 . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 7 0 0 2 1 1 1 1 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 4 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 L > 0 0 36 0, 0.0 3,-1.7 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 25.1 14.5 5.6 19.9 2 3 A S T 3 + 0 0 123 1,-0.3 4,-0.1 3,-0.0 404,-0.0 0.817 360.0 43.3 -60.3 -32.4 17.2 8.2 20.7 3 4 A N T 3 S+ 0 0 98 2,-0.1 403,-2.1 402,-0.1 2,-0.3 0.393 107.7 76.7 -92.1 0.9 19.8 5.7 19.3 4 5 A K B < S-A 405 0A 15 -3,-1.7 401,-0.2 401,-0.3 2,-0.2 -0.859 85.0-106.0-120.7 144.7 17.7 4.8 16.2 5 6 A L - 0 0 24 399,-2.7 170,-2.9 -2,-0.3 2,-0.3 -0.498 42.0-169.1 -58.9 132.5 16.8 6.4 12.9 6 7 A T B > -b 175 0B 10 168,-0.3 3,-2.2 -2,-0.2 170,-0.2 -0.852 35.6-102.7-128.1 164.7 13.3 7.7 13.0 7 8 A L G > S+ 0 0 0 168,-2.6 3,-1.6 1,-0.3 169,-0.1 0.766 113.4 68.2 -61.6 -30.7 11.0 9.0 10.2 8 9 A D G 3 S+ 0 0 77 1,-0.3 -1,-0.3 167,-0.2 168,-0.1 0.676 109.8 37.9 -59.1 -20.7 11.4 12.7 11.2 9 10 A K G < S+ 0 0 148 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.208 92.5 105.4-118.1 14.2 15.0 12.4 10.1 10 11 A L < - 0 0 10 -3,-1.6 2,-0.7 -4,-0.1 139,-0.0 -0.862 66.8-136.8 -98.7 120.1 14.5 10.1 7.0 11 12 A D + 0 0 100 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.1 -0.646 32.1 166.9 -73.7 111.1 14.8 11.9 3.6 12 13 A V > + 0 0 2 -2,-0.7 3,-2.4 39,-0.2 42,-0.4 0.398 23.6 133.8-105.0 3.7 11.9 10.4 1.7 13 14 A K T 3 S- 0 0 150 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.363 89.5 -8.4 -64.6 119.1 12.0 12.9 -1.3 14 15 A G T 3 S+ 0 0 40 38,-2.8 2,-0.4 1,-0.3 -1,-0.3 0.592 109.5 128.3 70.5 12.2 11.7 10.9 -4.5 15 16 A K < - 0 0 62 -3,-2.4 39,-2.0 37,-0.1 40,-1.0 -0.804 61.6-129.0-101.0 140.1 12.1 7.6 -2.5 16 17 A R E -c 55 0B 27 -2,-0.4 132,-2.8 38,-0.2 133,-1.8 -0.753 29.2-150.3 -75.8 128.9 9.9 4.6 -2.6 17 18 A V E -cd 56 149B 0 38,-2.8 40,-3.0 -2,-0.5 2,-0.5 -0.916 11.3-163.0-107.9 124.4 9.1 3.8 1.0 18 19 A V E -cd 57 150B 0 131,-2.5 133,-2.2 -2,-0.5 2,-0.5 -0.935 19.5-170.2-103.3 124.7 8.4 0.2 2.1 19 20 A M E -cd 58 151B 0 38,-3.2 40,-2.1 -2,-0.5 2,-0.5 -0.969 20.7-147.9-128.8 117.1 6.6 0.3 5.5 20 21 A R E +cd 59 152B 0 131,-2.2 133,-3.1 -2,-0.5 134,-0.5 -0.754 30.2 172.6 -78.2 128.3 5.8 -2.5 7.9 21 22 A V - 0 0 1 38,-2.5 2,-0.9 -2,-0.5 40,-0.3 -0.873 38.8-118.1-128.3 159.4 2.5 -1.7 9.7 22 23 A D + 0 0 11 131,-0.4 38,-0.1 -2,-0.3 134,-0.1 -0.866 44.7 155.2-100.7 96.5 0.3 -3.6 12.1 23 24 A F + 0 0 0 -2,-0.9 2,-2.2 38,-0.4 -1,-0.1 -0.078 23.1 132.9-106.4 25.5 -2.9 -3.9 10.2 24 25 A N + 0 0 25 38,-0.1 38,-0.1 13,-0.1 339,-0.1 -0.540 39.5 175.5 -76.8 74.0 -3.9 -7.0 12.1 25 26 A V - 0 0 5 -2,-2.2 2,-0.1 1,-0.1 10,-0.1 -0.520 34.3-101.6 -87.0 150.6 -7.4 -5.6 12.7 26 27 A P - 0 0 15 0, 0.0 7,-2.5 0, 0.0 8,-0.7 -0.436 38.1-165.7 -72.1 143.8 -10.3 -7.5 14.4 27 28 A M E +H 32 0C 71 5,-0.3 2,-0.3 6,-0.2 5,-0.2 -0.986 12.6 178.6-131.5 138.2 -13.0 -8.9 12.1 28 29 A K E > S-H 31 0C 57 3,-2.1 3,-2.5 -2,-0.4 0, 0.0 -0.990 78.3 -3.7-138.5 139.7 -16.5 -10.2 12.8 29 30 A N T 3 S- 0 0 129 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.814 130.5 -59.7 45.8 36.2 -18.9 -11.4 10.2 30 31 A N T 3 S+ 0 0 132 1,-0.2 2,-0.3 43,-0.1 -1,-0.3 0.309 114.9 107.4 80.3 -4.5 -16.2 -10.4 7.6 31 32 A Q E < S-H 28 0C 139 -3,-2.5 -3,-2.1 1,-0.0 2,-0.3 -0.746 79.0-103.6-108.8 152.8 -16.2 -6.7 8.5 32 33 A I E -H 27 0C 39 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.2 -0.549 30.0-170.9 -70.9 127.8 -13.5 -4.7 10.3 33 34 A T S S+ 0 0 60 -7,-2.5 2,-0.3 1,-0.3 -6,-0.2 0.626 74.0 22.2 -99.9 -10.9 -14.8 -4.1 13.9 34 35 A N - 0 0 10 -8,-0.7 3,-0.3 1,-0.0 -1,-0.3 -0.884 51.7-172.1-156.4 115.6 -12.1 -1.6 14.8 35 36 A N >> + 0 0 35 -2,-0.3 4,-2.6 1,-0.2 3,-1.0 0.353 56.0 115.1 -88.4 10.0 -10.0 0.5 12.5 36 37 A Q H 3> S+ 0 0 20 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 76.2 47.5 -41.2 -53.6 -7.8 1.7 15.5 37 38 A R H 3> S+ 0 0 21 -3,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.804 113.5 47.2 -68.1 -32.6 -4.7 0.1 14.1 38 39 A I H X> S+ 0 0 0 -3,-1.0 3,-1.4 2,-0.2 4,-0.6 0.950 112.7 48.3 -70.9 -51.6 -5.1 1.4 10.6 39 40 A K H >< S+ 0 0 92 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.859 104.2 63.2 -52.0 -40.7 -5.9 5.0 11.8 40 41 A A H 3< S+ 0 0 24 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.3 0.757 102.3 48.5 -61.7 -28.3 -2.8 4.8 14.0 41 42 A A H S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.930 109.8 43.0 -55.7 -43.0 0.4 10.0 10.5 44 45 A S H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.909 116.2 48.2 -65.3 -42.8 3.5 8.1 9.2 45 46 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.958 113.5 46.2 -63.7 -49.3 1.9 7.4 5.8 46 47 A K H X S+ 0 0 87 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.874 109.6 55.7 -61.3 -37.6 0.7 11.0 5.3 47 48 A F H X S+ 0 0 53 -4,-2.1 4,-1.7 -5,-0.4 -1,-0.2 0.934 107.1 49.7 -62.7 -43.0 4.2 12.3 6.4 48 49 A C H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.2 0.949 115.7 42.0 -60.0 -48.5 5.9 10.2 3.7 49 50 A L H ><5S+ 0 0 26 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.909 113.2 52.5 -65.3 -42.6 3.5 11.5 1.0 50 51 A D H 3<5S+ 0 0 127 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.757 109.1 51.4 -64.5 -26.7 3.6 15.1 2.2 51 52 A N T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -3,-0.2 -39,-0.2 0.164 128.5 -90.4-103.8 21.5 7.3 15.1 2.1 52 53 A G T < 5 + 0 0 27 -3,-1.5 -38,-2.8 1,-0.2 -3,-0.2 0.642 58.9 170.9 92.1 17.7 7.6 13.8 -1.5 53 54 A A < - 0 0 5 -5,-2.6 59,-0.5 -40,-0.2 -1,-0.2 -0.330 31.5-143.0 -58.0 137.6 7.7 10.0 -1.3 54 55 A K S S- 0 0 68 -39,-2.0 59,-1.3 -42,-0.4 58,-1.2 0.880 79.1 -15.0 -66.3 -40.3 7.4 8.4 -4.7 55 56 A S E -ce 16 113B 0 -40,-1.0 -38,-2.8 57,-0.2 2,-0.4 -0.982 52.3-141.4-156.2 162.0 5.4 5.6 -3.1 56 57 A V E -ce 17 114B 0 57,-2.4 59,-2.7 -2,-0.3 2,-0.6 -0.972 16.8-167.3-128.7 116.1 4.4 4.0 0.1 57 58 A V E -ce 18 115B 0 -40,-3.0 -38,-3.2 -2,-0.4 2,-0.4 -0.940 12.2-156.7-105.1 117.7 4.1 0.2 0.0 58 59 A L E -ce 19 116B 0 57,-3.4 59,-2.6 -2,-0.6 2,-0.4 -0.804 11.9-177.1-100.6 136.4 2.4 -1.1 3.2 59 60 A M E +c 20 0B 0 -40,-2.1 -38,-2.5 -2,-0.4 2,-0.3 -0.997 12.3 144.9-137.8 140.0 2.8 -4.6 4.5 60 61 A S - 0 0 0 -2,-0.4 60,-2.1 57,-0.2 2,-0.2 -0.970 39.0-115.2-155.4 165.0 1.2 -6.5 7.4 61 62 A H - 0 0 6 -2,-0.3 -38,-0.4 -40,-0.3 2,-0.3 -0.638 19.8-152.7 -92.0 169.2 0.0 -9.8 8.6 62 63 A L - 0 0 5 -2,-0.2 -38,-0.1 1,-0.2 14,-0.0 -0.939 57.0 -42.7-142.8 118.4 -3.6 -10.6 9.4 63 64 A G S S- 0 0 18 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.182 89.9 -57.8 60.9-153.2 -4.4 -13.3 11.9 64 65 A R + 0 0 90 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.620 58.8 155.5-129.8 71.6 -2.5 -16.6 12.0 65 66 A P > - 0 0 4 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.522 50.0-134.4 -75.4 -7.5 -2.9 -18.3 8.6 66 67 A D T 3 - 0 0 85 1,-0.2 56,-0.1 64,-0.1 58,-0.1 0.814 61.0 -50.1 61.5 40.5 0.3 -20.2 9.3 67 68 A G T 3 S+ 0 0 19 54,-2.2 57,-0.7 1,-0.2 -1,-0.2 0.731 110.5 107.4 77.8 22.7 2.1 -19.8 6.0 68 69 A V S < S- 0 0 85 -3,-0.7 2,-0.4 53,-0.5 -1,-0.2 -0.984 78.7-104.2-124.9 140.1 -0.7 -21.0 3.7 69 70 A P + 0 0 90 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.513 43.5 168.0 -67.4 124.1 -2.7 -18.6 1.4 70 71 A M >> + 0 0 55 -2,-0.4 4,-3.7 1,-0.1 3,-1.2 -0.460 11.5 153.0-132.6 60.1 -6.1 -18.1 3.0 71 72 A P H 3> S+ 0 0 69 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.793 73.0 60.6 -65.8 -27.4 -7.6 -15.2 1.0 72 73 A D H 34 S+ 0 0 151 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.817 123.8 19.5 -63.5 -29.5 -11.1 -16.4 1.8 73 74 A K H <4 S+ 0 0 132 -3,-1.2 -1,-0.1 1,-0.0 -43,-0.1 0.773 135.3 25.4-112.9 -38.0 -10.4 -16.0 5.5 74 75 A Y H < S+ 0 0 68 -4,-3.7 45,-0.2 -11,-0.0 2,-0.2 -0.086 74.9 144.4-128.7 34.7 -7.5 -13.7 6.2 75 76 A S < - 0 0 18 -4,-0.7 4,-0.1 -5,-0.2 43,-0.1 -0.519 43.2-147.5 -73.1 143.6 -7.2 -11.3 3.2 76 77 A L S >> S+ 0 0 0 -2,-0.2 3,-1.6 1,-0.2 4,-0.8 0.467 72.3 106.0 -83.2 -0.4 -6.1 -7.7 3.8 77 78 A E H >> S+ 0 0 113 1,-0.3 3,-1.4 2,-0.2 4,-1.4 0.866 75.0 54.4 -51.5 -42.7 -8.2 -6.4 0.9 78 79 A P H 3> S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.805 104.0 57.3 -61.9 -27.6 -10.9 -4.9 3.3 79 80 A V H <> S+ 0 0 0 -3,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.820 100.3 57.0 -56.0 -36.4 -8.1 -2.9 5.0 80 81 A A H S+ 0 0 75 -4,-1.3 4,-2.5 1,-0.2 5,-0.6 0.904 106.1 47.0 -52.4 -48.3 -8.7 5.1 1.6 85 86 A S H <5S+ 0 0 98 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.875 115.5 44.7 -64.2 -37.6 -11.3 6.7 3.8 86 87 A L H <5S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.799 120.7 38.7 -80.5 -28.7 -8.9 7.5 6.6 87 88 A L H <5S- 0 0 8 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.787 93.2-133.8 -86.7 -36.5 -6.1 8.8 4.3 88 89 A G T <5S+ 0 0 60 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.719 78.3 94.9 74.9 23.8 -8.1 10.7 1.8 89 90 A K S S- 0 0 23 -2,-0.3 4,-2.4 2,-0.1 5,-0.2 -0.156 86.1 -72.7 109.4 163.1 6.9 -12.4 -6.7 100 101 A P H > S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.819 129.6 54.2 -57.0 -37.0 7.8 -10.9 -9.9 101 102 A E H > S+ 0 0 164 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 109.3 45.0 -70.4 -43.6 4.4 -9.4 -10.3 102 103 A V H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 112.6 54.0 -61.1 -42.1 4.4 -7.6 -6.9 103 104 A E H X S+ 0 0 71 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.885 109.0 47.9 -61.7 -38.5 8.0 -6.4 -7.7 104 105 A K H X S+ 0 0 174 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.897 109.0 53.1 -67.7 -43.0 6.8 -5.0 -11.0 105 106 A A H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 119.7 35.2 -60.3 -31.4 3.9 -3.1 -9.4 106 107 A C H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.515 96.7 84.5-101.1 -9.0 6.3 -1.5 -6.9 107 108 A A H < S+ 0 0 55 -4,-1.0 -2,-0.1 -3,-0.4 -3,-0.1 0.875 111.8 1.2 -65.8 -41.3 9.4 -1.0 -9.0 108 109 A N S < S+ 0 0 131 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.1 -0.444 83.2 178.8-150.3 64.8 8.5 2.3 -10.6 109 110 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.287 37.4 -91.8 -78.1 159.4 5.2 3.6 -9.4 110 111 A A > - 0 0 73 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 -0.311 63.9 -77.7 -57.6 146.8 3.4 6.8 -10.3 111 112 A A T 3 S+ 0 0 98 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.236 117.3 14.3 -52.9 128.0 4.2 9.7 -8.0 112 113 A G T 3 S+ 0 0 36 -58,-1.2 -1,-0.3 -59,-0.5 -57,-0.2 0.535 85.3 164.4 84.6 11.3 2.3 9.4 -4.7 113 114 A S E < -e 55 0B 32 -3,-1.7 -57,-2.4 -59,-1.3 2,-0.5 -0.388 23.5-159.4 -66.5 129.0 1.2 5.8 -5.1 114 115 A V E -e 56 0B 6 -24,-0.4 -22,-2.4 -59,-0.2 2,-0.4 -0.962 14.6-177.3-107.4 128.7 -0.1 4.0 -2.0 115 116 A I E -ef 57 92B 3 -59,-2.7 -57,-3.4 -2,-0.5 2,-0.5 -0.987 14.5-159.8-130.9 130.3 0.1 0.2 -2.3 116 117 A L E -ef 58 93B 0 -24,-2.8 -22,-2.6 -2,-0.4 -57,-0.2 -0.975 14.8-148.3-112.6 124.4 -1.1 -2.5 0.2 117 118 A L - 0 0 0 -59,-2.6 -57,-0.2 -2,-0.5 -20,-0.2 -0.465 26.2 -96.8 -83.4 158.0 0.4 -6.0 -0.1 118 119 A E - 0 0 7 -22,-1.6 -58,-0.2 -24,-0.2 -1,-0.1 -0.278 66.0 -54.3 -71.3 160.2 -1.5 -9.1 0.8 119 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.1 -58,-0.3 -0.064 44.9-148.3 -36.2 115.8 -1.1 -10.9 4.2 120 121 A L G > S+ 0 0 0 -60,-2.1 3,-1.6 1,-0.3 6,-0.4 0.821 93.2 66.2 -62.6 -30.5 2.6 -11.6 4.8 121 122 A R G 3 S+ 0 0 9 1,-0.3 -54,-2.2 -61,-0.2 -53,-0.5 0.425 74.8 84.8 -81.7 5.0 1.8 -14.8 6.7 122 123 A F G < S+ 0 0 12 -3,-1.5 2,-0.4 -55,-0.2 -1,-0.3 0.573 89.7 64.3 -70.4 -11.5 0.3 -16.5 3.6 123 124 A H S X> S- 0 0 42 -3,-1.6 3,-1.5 -55,-0.2 4,-0.5 -0.975 81.0-144.4-114.0 130.9 4.1 -17.3 3.1 124 125 A V H 3> S+ 0 0 36 -57,-0.7 4,-1.1 -2,-0.4 5,-0.3 0.747 94.9 73.2 -63.6 -23.9 5.8 -19.5 5.6 125 126 A E H 34 S+ 0 0 28 3,-0.2 38,-0.3 1,-0.2 -1,-0.3 0.652 83.8 67.2 -67.5 -17.1 9.0 -17.4 5.2 126 127 A E H <4 S+ 0 0 1 -3,-1.5 37,-2.8 -6,-0.4 -1,-0.2 0.982 127.3 6.2 -67.7 -55.7 7.5 -14.5 7.2 127 128 A E H < S- 0 0 55 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.649 103.4-141.9 -73.5 -25.1 7.4 -16.3 10.6 128 129 A G < + 0 0 20 -4,-1.1 2,-0.3 -5,-0.1 -3,-0.2 0.329 69.1 60.2 -94.3 91.3 9.0 -18.7 8.9 129 130 A K 0 0 143 -5,-0.3 -2,-0.2 3,-0.0 -1,-0.1 -0.864 360.0 360.0-151.5 167.6 7.5 -21.8 10.3 130 131 A G 0 0 79 -2,-0.3 -63,-0.2 -63,-0.1 -64,-0.1 -0.883 360.0 360.0 175.2 360.0 3.8 -22.7 10.2 131 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 132 142 A E >> 0 0 86 0, 0.0 4,-2.2 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 65.2 13.5 -23.0 5.0 133 143 A P H 3> + 0 0 110 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.759 360.0 41.9 -61.7 -39.5 16.7 -20.9 4.9 134 144 A A H 3> S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.813 116.4 50.5 -72.9 -27.0 17.3 -20.0 1.3 135 145 A K H <> S+ 0 0 135 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.845 107.4 53.5 -75.1 -35.7 13.7 -19.3 0.8 136 146 A I H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 110.1 49.0 -59.4 -46.3 13.6 -17.0 3.9 137 147 A E H X S+ 0 0 128 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.929 112.3 47.6 -55.3 -49.7 16.6 -15.1 2.3 138 148 A A H X S+ 0 0 52 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.868 111.1 51.3 -63.3 -36.6 14.7 -14.9 -1.0 139 149 A F H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.948 112.9 44.5 -63.8 -49.8 11.5 -13.7 0.7 140 150 A R H X S+ 0 0 77 -4,-2.4 4,-1.8 1,-0.2 29,-0.4 0.881 112.3 53.1 -62.1 -40.5 13.4 -11.0 2.6 141 151 A A H X S+ 0 0 31 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.897 108.9 49.9 -61.8 -43.4 15.3 -10.0 -0.6 142 152 A S H >X S+ 0 0 9 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.929 110.1 48.4 -61.4 -48.3 11.9 -9.6 -2.5 143 153 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.888 107.2 58.4 -57.7 -38.2 10.4 -7.4 0.2 144 154 A S H >< S+ 0 0 1 -4,-1.8 3,-0.8 1,-0.3 -1,-0.2 0.760 98.3 59.3 -68.1 -24.6 13.5 -5.3 0.2 145 155 A K H << S+ 0 0 101 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.692 88.5 75.6 -73.4 -18.6 13.1 -4.5 -3.5 146 156 A L T << S+ 0 0 1 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.576 104.8 21.1 -77.4 -11.7 9.7 -2.9 -3.0 147 157 A G < - 0 0 1 -3,-0.8 -130,-0.2 -4,-0.2 3,-0.1 -0.944 59.7-138.1-145.5 166.8 11.2 0.3 -1.5 148 158 A D S S+ 0 0 60 -132,-2.8 24,-0.4 -2,-0.3 2,-0.3 0.675 97.1 24.5 -92.7 -28.8 14.4 2.3 -1.4 149 159 A V E S-d 17 0B 4 -133,-1.8 -131,-2.5 22,-0.1 2,-0.4 -0.923 78.8-135.0-132.9 156.3 14.0 3.1 2.3 150 160 A Y E -dg 18 173B 6 22,-2.6 24,-3.1 -2,-0.3 2,-0.4 -0.943 14.0-172.8-119.8 140.0 12.2 1.2 5.1 151 161 A V E -dg 19 174B 0 -133,-2.2 -131,-2.2 -2,-0.4 2,-0.6 -0.991 9.5-157.4-125.3 134.9 10.0 2.4 7.9 152 162 A N E +dg 20 175B 0 22,-2.6 24,-2.4 -2,-0.4 -131,-0.2 -0.953 28.1 153.2-111.0 111.1 8.6 0.2 10.7 153 163 A D + 0 0 1 -133,-3.1 2,-1.9 -2,-0.6 -131,-0.4 0.159 37.2 116.9-111.3 13.5 5.5 1.6 12.3 154 164 A A > + 0 0 0 -134,-0.5 3,-1.4 -133,-0.2 4,-0.4 -0.429 25.8 156.9 -88.9 66.3 4.2 -1.8 13.4 155 165 A F G > S+ 0 0 0 -2,-1.9 3,-1.9 1,-0.3 4,-0.3 0.922 71.9 58.2 -54.5 -45.0 4.2 -1.3 17.1 156 166 A G G 3 S+ 0 0 5 1,-0.3 231,-0.4 -3,-0.3 229,-0.3 0.675 114.7 37.4 -64.6 -14.9 1.6 -4.0 17.7 157 167 A T G X S+ 0 0 2 -3,-1.4 3,-2.6 1,-0.1 -1,-0.3 0.307 83.3 109.7-111.2 6.6 4.0 -6.6 16.0 158 168 A A T < S+ 0 0 0 -3,-1.9 241,-2.8 -4,-0.4 242,-0.4 0.698 70.0 62.6 -68.1 -17.8 7.3 -5.2 17.4 159 169 A H T 3 S+ 0 0 24 -4,-0.3 2,-0.6 238,-0.2 -1,-0.3 0.510 87.6 90.9 -75.3 -10.4 7.8 -8.2 19.6 160 170 A R < - 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