==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE 23-NOV-96 13PK . COMPND 2 MOLECULE: 3-PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR B.E.BERNSTEIN,P.A.M.MICHELS,W.G.J.HOL . 1660 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1216 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 205 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 2.9 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 . 4 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 . 111 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 234 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 496 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.2 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 4 5 4 1 7 3 7 4 8 6 0 6 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 7 13 8 12 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 8 0 4 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 . 4 4 0 0 4 4 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 E 0 0 149 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.7 -9.1 98.0 79.6 2 6 A K - 0 0 33 412,-0.3 412,-0.3 413,-0.3 182,-0.1 -0.568 360.0-107.6 -81.7 146.1 -11.8 97.1 82.2 3 7 A K - 0 0 57 410,-3.2 182,-2.8 180,-0.3 2,-0.2 -0.253 34.8-139.2 -63.3 148.5 -12.7 99.0 85.3 4 8 A S B > -a 185 0A 5 180,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.644 26.0-107.1-110.2 166.7 -11.7 97.5 88.7 5 9 A I G > S+ 0 0 1 180,-1.4 3,-2.2 1,-0.3 181,-0.1 0.854 117.9 71.4 -56.7 -34.3 -13.4 97.2 92.1 6 10 A N G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 180,-0.0 0.797 94.7 50.3 -51.2 -33.3 -10.9 99.9 93.0 7 11 A E G < S+ 0 0 116 -3,-1.6 -1,-0.3 2,-0.1 2,-0.2 0.495 96.4 94.3 -86.5 -2.6 -12.8 102.4 90.9 8 12 A C S < S- 0 0 22 -3,-2.2 2,-0.8 -4,-0.3 -3,-0.0 -0.569 74.7-127.8 -95.1 151.3 -16.2 101.5 92.5 9 13 A D + 0 0 98 -2,-0.2 -2,-0.1 1,-0.2 148,-0.1 -0.892 38.9 161.9 -93.3 114.2 -18.0 103.1 95.4 10 14 A L > + 0 0 1 -2,-0.8 3,-2.9 39,-0.1 42,-0.2 0.672 24.0 123.6-107.6 -23.1 -18.8 100.2 97.6 11 15 A K T 3 S- 0 0 133 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.120 94.5 -7.8 -46.1 125.5 -19.5 101.9 101.0 12 16 A G T 3 S+ 0 0 51 38,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.639 108.0 128.2 59.0 18.9 -22.9 100.8 102.1 13 17 A K < - 0 0 66 -3,-2.9 39,-2.1 33,-0.1 2,-0.9 -0.784 62.9-125.2-110.0 147.4 -23.7 99.1 98.8 14 18 A K E -b 52 0A 48 -2,-0.3 142,-2.6 37,-0.2 143,-0.8 -0.831 32.4-156.1 -88.6 108.0 -24.9 95.6 98.0 15 19 A V E -bc 53 157A 0 37,-2.6 39,-2.1 -2,-0.9 2,-0.7 -0.778 8.5-148.7 -93.6 123.3 -22.3 94.2 95.6 16 20 A L E -bc 54 158A 0 141,-3.2 143,-2.4 -2,-0.5 2,-0.5 -0.803 22.6-173.4 -86.5 115.8 -23.4 91.4 93.3 17 21 A I E -bc 55 159A 0 37,-2.1 39,-2.3 -2,-0.7 2,-0.7 -0.969 17.5-154.4-118.7 127.2 -20.2 89.4 92.8 18 22 A R E +bc 56 160A 0 141,-1.8 143,-2.8 -2,-0.5 144,-1.0 -0.917 28.2 175.7 -99.2 112.3 -20.0 86.5 90.3 19 23 A V - 0 0 1 37,-2.2 2,-0.7 -2,-0.7 39,-0.3 -0.647 36.7-117.5-111.3 169.2 -17.3 84.2 91.6 20 24 A D + 0 0 5 141,-0.3 19,-0.1 15,-0.3 37,-0.1 -0.864 44.0 155.1-110.9 92.9 -16.0 80.9 90.5 21 25 A F + 0 0 0 -2,-0.7 2,-2.5 37,-0.3 -1,-0.1 0.015 25.0 130.7-106.2 26.8 -16.7 78.5 93.4 22 26 A N + 0 0 28 37,-0.1 37,-0.1 13,-0.1 350,-0.1 -0.467 38.3 168.5 -79.2 69.7 -16.8 75.5 91.2 23 27 A V - 0 0 3 -2,-2.5 2,-0.3 1,-0.1 37,-0.2 -0.437 44.4 -91.3 -85.7 156.1 -14.5 73.6 93.5 24 28 A P - 0 0 15 0, 0.0 7,-2.9 0, 0.0 8,-0.9 -0.551 49.4-171.3 -65.4 127.2 -13.7 69.9 93.3 25 29 A V E -G 30 0B 51 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.967 14.0-177.1-127.2 143.3 -16.1 68.0 95.5 26 30 A K E > S-G 29 0B 95 3,-2.6 3,-1.2 -2,-0.4 1322,-0.1 -0.978 77.2 -8.4-139.5 123.6 -16.2 64.3 96.6 27 31 A N T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.923 131.8 -54.8 56.4 42.9 -18.9 62.8 98.7 28 32 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 57,-0.1 -1,-0.3 0.647 116.4 112.4 67.0 17.1 -20.2 66.2 99.2 29 33 A K E < S-G 26 0B 79 -3,-1.2 -3,-2.6 1316,-0.1 2,-0.4 -0.919 72.5-114.5-123.6 145.0 -17.0 67.6 100.5 30 34 A I E -G 25 0B 4 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.2 -0.671 26.2-175.2 -75.3 126.6 -14.6 70.2 99.0 31 35 A T S S+ 0 0 14 -7,-2.9 2,-0.3 -2,-0.4 -6,-0.2 0.599 76.6 17.6 -98.4 -14.3 -11.4 68.4 98.1 32 36 A N - 0 0 6 -8,-0.9 -1,-0.3 1,-0.0 3,-0.3 -0.882 56.5-175.8-158.5 119.3 -9.7 71.6 97.0 33 37 A D >> + 0 0 0 -2,-0.3 4,-2.9 -3,-0.2 3,-0.7 0.045 46.6 121.4-107.7 28.5 -10.8 75.2 97.8 34 38 A Y H 3> S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.834 74.6 55.3 -59.1 -34.1 -8.2 77.0 95.7 35 39 A R H 3> S+ 0 0 23 -3,-0.3 4,-0.5 2,-0.2 -15,-0.3 0.849 111.0 44.6 -70.2 -28.5 -10.9 78.7 93.7 36 40 A I H X> S+ 0 0 0 -3,-0.7 3,-1.1 2,-0.2 4,-0.7 0.918 111.9 50.9 -78.6 -46.4 -12.5 80.0 96.9 37 41 A R H >< S+ 0 0 25 -4,-2.9 3,-1.1 1,-0.3 -2,-0.2 0.897 106.8 56.5 -56.1 -39.0 -9.2 81.1 98.4 38 42 A S H 3< S+ 0 0 8 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.763 104.5 52.3 -67.2 -21.0 -8.5 83.0 95.2 39 43 A A H S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.879 105.7 47.4 -52.2 -49.2 -9.3 89.4 98.1 42 46 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.3 5,-0.2 0.925 115.0 46.9 -61.1 -42.5 -12.3 90.8 96.2 43 47 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.887 110.9 51.8 -67.0 -38.1 -14.6 89.9 99.1 44 48 A K H X S+ 0 0 37 -4,-2.8 4,-2.9 1584,-0.3 5,-0.2 0.931 107.9 54.4 -61.3 -44.0 -12.1 91.3 101.6 45 49 A K H X S+ 0 0 27 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.953 110.0 43.8 -54.7 -57.2 -12.1 94.5 99.5 46 50 A V H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.920 115.4 48.6 -58.9 -42.6 -15.9 95.0 99.6 47 51 A L H ><5S+ 0 0 11 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.911 113.0 47.8 -63.3 -42.0 -16.1 94.2 103.3 48 52 A T H 3<5S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.862 109.4 54.0 -65.4 -36.4 -13.3 96.6 104.0 49 53 A E T 3<5S- 0 0 61 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.420 122.9-103.9 -78.9 -2.1 -15.0 99.3 101.9 50 54 A G T < 5S+ 0 0 15 -3,-1.1 -38,-2.5 -4,-0.3 -3,-0.2 0.698 78.6 120.8 90.1 19.8 -18.1 98.9 103.9 51 55 A G < - 0 0 0 -5,-2.7 71,-3.1 -40,-0.2 2,-0.3 -0.260 54.8-122.0-103.1-168.6 -20.3 97.0 101.5 52 56 A S E -b 14 0A 3 -39,-2.1 -37,-2.6 69,-0.3 2,-0.5 -0.948 21.8-130.8-133.4 153.2 -22.1 93.6 101.7 53 57 A C E -bd 15 124A 0 70,-3.0 72,-2.9 -2,-0.3 2,-0.5 -0.919 19.8-179.0-115.9 135.0 -21.8 90.7 99.4 54 58 A V E -bd 16 125A 0 -39,-2.1 -37,-2.1 -2,-0.5 2,-0.3 -0.977 27.2-159.1-126.4 102.3 -24.3 88.6 97.6 55 59 A L E -bd 17 126A 0 70,-3.2 72,-2.6 -2,-0.5 2,-0.4 -0.704 10.8-166.2 -89.6 144.1 -22.3 86.0 95.7 56 60 A M E +b 18 0A 0 -39,-2.3 -37,-2.2 -2,-0.3 2,-0.3 -0.978 23.2 137.1-129.2 138.5 -23.4 84.0 92.7 57 61 A S - 0 0 0 -2,-0.4 73,-2.5 71,-0.4 2,-0.3 -0.971 37.6-123.1-164.6 177.5 -21.7 80.9 91.3 58 62 A H - 0 0 6 -39,-0.3 2,-0.4 -2,-0.3 -37,-0.3 -0.880 10.7-154.2-129.2 159.4 -22.2 77.5 89.9 59 63 A L - 0 0 3 -2,-0.3 -37,-0.1 27,-0.3 72,-0.1 -0.995 61.6 -31.6-135.9 128.6 -20.9 74.1 91.0 60 64 A G S S- 0 0 29 -2,-0.4 26,-0.1 1,-0.2 -38,-0.0 -0.197 91.8 -64.5 65.3-149.4 -20.6 71.3 88.5 61 65 A R - 0 0 97 -3,-0.1 -1,-0.2 71,-0.0 2,-0.1 -0.661 59.0-175.0-139.2 73.3 -23.0 71.0 85.6 62 66 A P - 0 0 16 0, 0.0 20,-0.1 0, 0.0 21,-0.0 -0.422 36.8-112.5 -69.8 154.5 -26.4 70.3 87.1 63 67 A K - 0 0 157 18,-0.1 69,-0.1 1,-0.1 19,-0.1 0.857 49.5-152.0 -55.6 -39.5 -29.2 69.5 84.7 64 68 A G - 0 0 7 17,-0.5 69,-0.3 69,-0.1 68,-0.2 -0.031 1.8-123.1 83.1 164.1 -31.0 72.7 85.5 65 69 A I B -h 133 0C 24 67,-0.7 69,-2.5 15,-0.1 70,-0.5 -0.971 26.9 -98.5-143.0 148.9 -34.7 73.4 85.4 66 70 A P >> - 0 0 34 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.585 31.7-123.2 -71.0 141.1 -36.7 76.0 83.5 67 71 A M H >> S+ 0 0 42 1,-0.3 4,-0.9 -2,-0.2 3,-0.7 0.821 111.1 60.0 -50.0 -38.2 -37.7 79.0 85.6 68 72 A A H >> S+ 0 0 70 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.947 101.8 50.7 -57.6 -48.3 -41.3 78.3 84.8 69 73 A Q H <> S+ 0 0 102 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.695 98.2 73.5 -65.9 -14.7 -41.2 74.8 86.3 70 74 A A H S+ 0 0 55 -4,-1.1 5,-1.8 1,-0.2 4,-1.2 0.927 108.9 52.9 -59.1 -48.9 -41.5 73.2 93.1 74 78 A R H <5S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.7 56.8 -58.7 -30.2 -41.4 76.2 95.4 75 79 A S H <5S+ 0 0 107 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.894 106.5 49.7 -66.4 -40.2 -45.0 75.7 96.2 76 80 A T H <5S- 0 0 124 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.739 120.3-116.6 -67.4 -25.2 -44.0 72.1 97.3 77 81 A G T <5S+ 0 0 63 -4,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.456 74.0 125.3 98.2 4.4 -41.3 73.8 99.3 78 82 A G < - 0 0 32 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.207 66.9 -98.4 -87.4-179.7 -38.5 72.2 97.4 79 83 A V > - 0 0 43 -3,-0.1 3,-2.1 -2,-0.0 29,-0.1 -0.898 37.8-116.3-108.4 118.4 -35.5 73.7 95.6 80 84 A P T 3 S- 0 0 0 0, 0.0 -15,-0.1 0, 0.0 -10,-0.1 -0.214 94.4 -5.1 -51.5 120.7 -35.8 74.2 91.8 81 85 A G T 3 S+ 0 0 15 1,-0.2 -17,-0.5 -17,-0.1 -18,-0.1 0.528 90.0 172.7 71.4 9.6 -33.3 72.0 89.9 82 86 A F < + 0 0 83 -3,-2.1 2,-0.4 -19,-0.1 -1,-0.2 -0.192 13.5 178.2 -56.7 134.8 -31.6 70.9 93.1 83 87 A Q > - 0 0 37 1,-0.1 3,-2.9 -21,-0.0 4,-0.1 -0.934 25.9-142.6-142.1 106.8 -29.0 68.2 92.8 84 88 A Q G > S+ 0 0 124 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.762 99.1 56.1 -38.3 -40.7 -27.3 67.2 96.0 85 89 A K G 3 S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.1 -57,-0.1 0.651 109.6 47.6 -74.1 -12.5 -23.8 66.8 94.4 86 90 A A G < S+ 0 0 7 -3,-2.9 -27,-0.3 -26,-0.1 -1,-0.2 0.120 77.7 130.2-116.8 21.4 -24.0 70.4 93.1 87 91 A T < - 0 0 8 -3,-1.1 4,-0.2 1,-0.1 41,-0.1 -0.523 50.6-148.6 -74.1 143.9 -25.1 72.4 96.1 88 92 A L S >> S+ 0 0 0 -2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.451 74.4 103.9 -89.8 1.3 -23.0 75.4 97.0 89 93 A K H >> S+ 0 0 131 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.923 76.9 48.2 -49.1 -56.9 -23.8 74.8 100.6 90 94 A P H 3> S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.868 111.0 54.4 -56.1 -30.6 -20.4 73.3 101.6 91 95 A V H <> S+ 0 0 0 -3,-0.6 4,-3.0 -4,-0.2 -2,-0.2 0.887 104.8 52.4 -68.7 -37.8 -18.9 76.3 99.8 92 96 A A H S+ 0 0 28 -4,-2.4 5,-1.2 -5,-0.2 4,-0.8 0.885 108.4 49.7 -60.8 -36.1 -17.6 81.5 106.3 97 101 A E H <5S+ 0 0 21 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.916 114.6 42.0 -69.5 -42.4 -14.6 79.8 107.9 98 102 A L H <5S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.7 48.4 -70.6 -44.1 -12.0 81.6 105.7 99 103 A L H <5S- 0 0 13 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.609 101.7-134.6 -71.2 -17.4 -13.7 85.0 105.9 100 104 A L T <5S+ 0 0 27 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.780 75.2 83.1 64.4 31.3 -14.1 84.6 109.7 101 105 A R S - 0 0 10 3,-0.1 3,-1.6 20,-0.1 22,-0.1 -0.930 67.3-155.1-147.3 114.7 -32.5 79.2 95.9 109 113 A C T 3 S+ 0 0 1 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.742 97.4 48.6 -64.3 -25.4 -30.9 82.0 93.9 110 114 A L T 3 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.278 113.3 47.3 -97.5 11.3 -34.2 83.2 92.4 111 115 A N S < S+ 0 0 95 -3,-1.6 -1,-0.2 -5,-0.1 4,-0.1 -0.229 76.9 103.3-143.4 46.4 -36.0 83.3 95.7 112 116 A A > + 0 0 1 -3,-0.4 4,-3.0 1,-0.1 5,-0.2 0.209 37.0 113.7-114.9 12.3 -33.6 85.1 98.0 113 117 A A H > S+ 0 0 60 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.928 77.7 54.8 -49.2 -49.7 -35.3 88.5 98.1 114 118 A D H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 112.9 38.8 -49.8 -57.6 -36.1 88.0 101.8 115 119 A V H 4 S+ 0 0 30 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.933 116.5 52.3 -62.5 -44.9 -32.5 87.3 102.9 116 120 A V H >< S+ 0 0 5 -4,-3.0 3,-2.5 1,-0.2 -2,-0.2 0.957 105.9 53.8 -59.8 -47.5 -31.1 89.9 100.5 117 121 A S H 3< S+ 0 0 78 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.3 55.2 -56.8 -37.1 -33.3 92.6 101.8 118 122 A K T 3< S+ 0 0 134 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.457 85.5 121.0 -77.5 1.9 -32.3 92.0 105.4 119 123 A M < - 0 0 15 -3,-2.5 -67,-0.1 -4,-0.3 -105,-0.0 -0.305 38.6-176.6 -69.0 153.0 -28.6 92.5 104.5 120 124 A S > - 0 0 62 -69,-0.1 3,-2.4 1,-0.0 -107,-0.0 -0.910 44.8 -65.6-141.5 160.4 -26.4 95.2 106.0 121 125 A P T 3 S+ 0 0 72 0, 0.0 -69,-0.3 0, 0.0 -70,-0.1 -0.196 123.7 32.3 -51.1 137.4 -22.8 96.2 105.4 122 126 A G T 3 S+ 0 0 15 -71,-3.1 2,-0.2 1,-0.4 -70,-0.2 0.193 91.1 125.2 99.9 -14.3 -20.5 93.4 106.4 123 127 A D < - 0 0 59 -3,-2.4 -70,-3.0 -72,-0.1 2,-0.4 -0.513 42.7-162.1 -81.7 147.5 -23.0 90.7 105.4 124 128 A V E -d 53 0A 1 -22,-0.4 -20,-2.4 -72,-0.2 2,-0.4 -0.999 8.4-178.3-130.1 126.8 -22.1 88.0 103.0 125 129 A V E -de 54 104A 0 -72,-2.9 -70,-3.2 -2,-0.4 2,-0.5 -0.992 10.2-159.7-127.4 132.2 -24.8 85.9 101.3 126 130 A L E -de 55 105A 0 -22,-2.6 -20,-2.2 -2,-0.4 2,-0.2 -0.970 14.3-143.3-113.9 127.0 -24.1 83.1 98.9 127 131 A L E - e 0 106A 0 -72,-2.6 -70,-0.2 -2,-0.5 3,-0.2 -0.567 28.4 -96.1 -86.5 153.7 -26.9 82.1 96.6 128 132 A E - 0 0 3 -22,-2.0 -71,-0.4 -2,-0.2 -1,-0.1 -0.156 69.0 -54.0 -62.2 161.9 -27.5 78.5 95.7 129 133 A N > - 0 0 1 -43,-0.2 3,-1.6 1,-0.2 -20,-0.3 -0.152 47.6-151.6 -39.4 113.3 -26.0 77.1 92.4 130 134 A V G > S+ 0 0 0 -73,-2.5 3,-1.5 1,-0.3 6,-0.4 0.747 92.7 69.5 -65.0 -22.0 -27.2 79.4 89.6 131 135 A R G 3 S+ 0 0 44 -74,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.392 70.2 89.0 -78.8 6.9 -27.1 76.5 87.2 132 136 A F G < S+ 0 0 2 -3,-1.6 -67,-0.7 -68,-0.2 2,-0.4 0.717 87.4 61.5 -73.0 -15.2 -30.0 75.0 89.1 133 137 A Y B X> S-h 65 0C 3 -3,-1.5 3,-1.3 -69,-0.3 4,-0.5 -0.943 80.1-143.8-112.2 130.0 -31.9 77.0 86.5 134 138 A K G >4 S+ 0 0 99 -69,-2.5 3,-0.6 -2,-0.4 4,-0.4 0.805 95.4 68.8 -62.3 -28.1 -31.5 76.4 82.7 135 139 A E G >4 S+ 0 0 21 -70,-0.5 3,-1.1 1,-0.2 -1,-0.3 0.813 83.3 72.5 -64.7 -25.9 -31.9 80.0 81.9 136 140 A E G 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H H <5S+ 0 0 119 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.972 126.6 26.1 -58.1 -65.4 7.0 92.6 93.8 1610 366 D E H <5S+ 0 0 118 -4,-4.3 -3,-0.2 -5,-0.2 -2,-0.2 0.924 138.4 19.5 -66.7 -50.0 8.0 96.1 92.9 1611 367 D H H < - 0 0 7 22,-0.5 4,-3.2 -2,-0.3 5,-0.3 0.272 69.7-108.5 107.1 129.2 2.3 82.6 112.0 1620 376 D G H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -338,-0.1 0.902 119.5 40.2 -53.5 -49.1 -1.1 80.9 111.5 1621 377 D D H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 115.1 53.3 -70.9 -33.5 -3.1 84.0 111.8 1622 378 D S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 108.8 48.3 -66.9 -43.1 -0.6 86.1 109.9 1623 379 D A H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.920 109.3 55.9 -63.3 -38.2 -0.7 83.6 107.0 1624 380 D S H X S+ 0 0 6 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.867 109.6 45.0 -57.8 -45.3 -4.5 83.9 107.3 1625 381 D A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 6,-0.3 0.890 111.2 53.1 -67.7 -40.7 -4.3 87.6 106.9 1626 382 D A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-1.2 0.907 112.8 43.3 -62.0 -43.5 -1.9 87.3 104.0 1627 383 D E H ><5S+ 0 0 26 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.829 108.5 58.5 -70.7 -37.6 -4.1 84.9 102.1 1628 384 D L H 3<5S+ 0 0 14 -4,-1.8 -1584,-0.3 -5,-0.2 -1,-0.2 0.871 114.2 38.1 -59.5 -36.8 -7.3 86.9 102.8 1629 385 D S T 3<5S- 0 0 17 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.323 112.8-115.3 -98.0 5.0 -5.6 90.0 101.1 1630 386 D G T < 5S+ 0 0 15 -3,-0.8 -3,-0.2 -4,-0.2 4,-0.1 0.608 86.3 112.4 71.7 14.6 -4.0 88.0 98.3 1631 387 D E >>< + 0 0 20 -5,-2.2 3,-1.4 -6,-0.3 4,-0.8 0.683 50.1 80.2 -91.8 -20.4 -0.5 88.9 99.6 1632 388 D A G >4 S+ 0 0 15 -6,-1.2 3,-2.0 1,-0.3 -1,-0.1 0.946 94.6 50.8 -51.2 -49.5 0.8 85.5 100.7 1633 389 D K G 34 S+ 0 0 109 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.639 106.8 54.5 -62.8 -21.5 1.6 84.7 97.1 1634 390 D R G <4 S+ 0 0 77 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.548 89.2 98.7 -90.3 -10.6 3.5 87.9 96.7 1635 391 D M S << S- 0 0 12 -3,-2.0 3,-0.2 -4,-0.8 -19,-0.1 -0.498 82.1-124.6 -75.3 147.8 5.8 87.1 99.7 1636 392 D S S S- 0 0 41 -21,-0.4 2,-0.3 1,-0.3 -20,-0.2 0.918 92.2 -18.3 -59.1 -37.9 9.2 85.7 99.2 1637 393 D H E -g 1616 0T 19 -22,-1.5 -20,-2.0 2,-0.0 2,-0.6 -0.940 55.0-148.8-168.1 138.3 8.1 82.9 101.5 1638 394 D V E -g 1617 0T 13 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.1 -0.969 26.6-145.9-117.9 108.0 5.5 82.3 104.1 1639 395 D S - 0 0 1 -22,-3.3 -20,-0.3 -2,-0.6 -16,-0.1 -0.329 14.4-138.8 -66.1 156.0 6.8 80.0 106.7 1640 396 D T S S+ 0 0 2 -22,-0.1 2,-0.4 -204,-0.1 -20,-0.1 0.271 82.4 93.5 -97.2 8.2 4.5 77.5 108.4 1641 397 D G - 0 0 0 -24,-0.2 -22,-0.5 1,-0.2 -2,-0.2 -0.836 52.1-176.2-102.5 139.1 6.4 78.5 111.6 1642 398 D G S > S+ 0 0 13 -2,-0.4 2,-1.2 -24,-0.3 4,-0.8 0.583 85.6 0.6 -91.9-108.0 5.1 81.2 113.9 1643 399 D G H > S+ 0 0 33 2,-0.2 4,-0.9 1,-0.2 -231,-0.1 0.021 119.0 84.4 -69.8 30.0 7.5 81.9 116.8 1644 400 D A H >> S+ 0 0 5 -2,-1.2 4,-2.9 2,-0.2 3,-0.7 0.806 92.8 42.0 -88.4 -68.3 9.8 79.2 115.3 1645 401 D S H 3> S+ 0 0 4 -3,-0.3 4,-2.2 1,-0.3 -2,-0.2 0.734 113.0 58.5 -46.9 -29.9 11.4 81.6 112.9 1646 402 D L H 3< S+ 0 0 6 -4,-0.8 4,-0.3 2,-0.2 -1,-0.3 0.993 113.3 35.0 -68.2 -51.8 11.4 84.0 115.8 1647 403 D E H X< S+ 0 0 56 -4,-0.9 3,-1.7 -3,-0.7 4,-0.4 0.856 113.2 59.7 -70.1 -30.9 13.5 81.7 118.0 1648 404 D L H >< S+ 0 0 34 -4,-2.9 3,-2.7 1,-0.3 -1,-0.2 0.954 90.8 71.9 -58.9 -43.1 15.5 80.5 115.0 1649 405 D L T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.656 81.9 73.8 -44.6 -23.0 16.5 84.1 114.5 1650 406 D E T < S- 0 0 93 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.909 108.9-119.8 -60.5 -46.5 18.7 83.7 117.5 1651 407 D G < + 0 0 48 -3,-2.7 -2,-0.1 -4,-0.4 -3,-0.1 0.085 67.0 133.0 127.6 -22.8 21.1 81.6 115.6 1652 408 D K - 0 0 57 -5,-0.3 -1,-0.4 1,-0.1 2,-0.2 -0.176 61.1-106.7 -57.2 150.5 20.9 78.3 117.6 1653 409 D T - 0 0 114 -3,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.602 34.2-106.9 -82.4 147.2 20.5 75.1 115.6 1654 410 D L >> - 0 0 17 -2,-0.2 4,-3.7 1,-0.1 3,-1.2 -0.624 17.1-151.7 -77.8 115.7 17.2 73.3 115.6 1655 411 D P H 3> S+ 0 0 28 0, 0.0 4,-3.1 0, 0.0 -240,-0.2 0.871 98.8 54.9 -53.3 -39.2 17.1 70.1 117.7 1656 412 D G H 34 S+ 0 0 0 -242,-3.5 4,-0.3 2,-0.2 -241,-0.1 0.824 114.6 40.2 -64.1 -32.2 14.4 68.7 115.5 1657 413 D V H X4 S+ 0 0 15 -3,-1.2 3,-2.2 -243,-0.5 -1,-0.2 0.950 113.8 53.3 -79.2 -51.4 16.6 69.3 112.5 1658 414 D T H 3< S+ 0 0 74 -4,-3.7 4,-0.2 1,-0.3 -2,-0.2 0.873 100.3 60.7 -47.7 -48.3 19.7 68.2 114.2 1659 415 D V T 3< S+ 0 0 37 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.715 86.4 100.5 -57.4 -20.0 18.3 64.8 115.3 1660 416 D L S < S- 0 0 2 -3,-2.2 2,-0.8 -4,-0.3 -228,-0.2 -0.352 92.8 -96.1 -71.7 146.1 17.8 64.0 111.6 1661 417 D D - 0 0 35 -230,-2.8 -410,-2.1 1,-0.1 2,-1.6 -0.465 38.3-145.1 -62.7 104.8 20.3 61.7 109.8 1662 418 D D 0 0 106 -2,-0.8 -412,-0.2 -412,-0.2 -1,-0.1 -0.578 360.0 360.0 -78.1 88.7 22.5 64.2 108.2 1663 419 D K 0 0 161 -2,-1.6 -413,-0.2 -411,-0.0 -1,-0.2 0.307 360.0 360.0-123.6 360.0 23.5 62.5 105.0