==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-05 2BNF . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.BRIOZZO,C.EVRIN,P.MEYER,L.ASSAIRI,N.JOLY,O.BARZU, . 472 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.0 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 . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.6 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 5 1 0 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 1 5 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 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 A 0 0 137 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.5 -26.3 11.6 -68.6 2 6 A K - 0 0 184 1,-0.2 41,-0.0 2,-0.0 0, 0.0 -0.246 360.0 -69.8 -77.2 166.2 -23.4 10.9 -66.3 3 7 A P - 0 0 40 0, 0.0 224,-0.2 0, 0.0 -1,-0.2 -0.085 30.1-144.5 -55.3 153.1 -23.4 11.1 -62.4 4 8 A V S S+ 0 0 81 222,-2.4 2,-0.4 -3,-0.1 223,-0.1 0.439 79.9 61.2-100.0 -3.0 -23.7 14.5 -60.6 5 9 A Y - 0 0 37 221,-0.5 3,-0.2 1,-0.1 -1,-0.1 -0.993 51.9-171.2-128.9 132.3 -21.4 13.7 -57.7 6 10 A K S S+ 0 0 166 -2,-0.4 40,-3.2 1,-0.3 2,-0.4 0.885 83.9 16.9 -83.7 -44.5 -17.7 12.8 -57.8 7 11 A R E S+a 46 0A 31 38,-0.2 148,-4.2 146,-0.1 149,-0.6 -0.991 72.1 177.4-134.6 127.6 -17.4 11.8 -54.1 8 12 A I E -ab 47 156A 0 38,-2.4 40,-1.2 -2,-0.4 2,-0.4 -0.706 25.9-135.8-121.6 172.5 -20.2 11.0 -51.7 9 13 A L E -ab 48 157A 0 147,-1.5 149,-2.4 -2,-0.2 2,-0.5 -0.921 20.6-157.8-131.7 104.0 -20.6 9.9 -48.1 10 14 A L E -ab 49 158A 0 38,-2.9 40,-2.8 -2,-0.4 2,-0.6 -0.731 4.6-163.3 -85.3 122.7 -23.1 7.2 -47.8 11 15 A K E -ab 50 159A 9 147,-2.7 149,-2.1 -2,-0.5 2,-0.5 -0.936 5.7-170.1-111.7 113.8 -24.5 6.9 -44.3 12 16 A L E -a 51 0A 0 38,-2.2 40,-2.0 -2,-0.6 2,-0.2 -0.884 18.8-132.9-104.4 132.0 -26.3 3.7 -43.5 13 17 A S > - 0 0 31 -2,-0.5 3,-2.4 147,-0.4 4,-0.3 -0.553 25.1-117.2 -77.7 148.0 -28.3 3.3 -40.3 14 18 A G G > S+ 0 0 1 1,-0.3 3,-1.6 -2,-0.2 4,-0.3 0.830 115.8 64.5 -55.6 -32.6 -27.5 0.0 -38.5 15 19 A E G > S+ 0 0 88 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.689 82.4 80.0 -63.7 -18.2 -31.1 -0.9 -39.1 16 20 A A G < S+ 0 0 14 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.747 95.4 44.5 -62.0 -23.7 -30.4 -1.0 -42.8 17 21 A L G < S+ 0 0 0 -3,-1.6 9,-2.1 -4,-0.3 -1,-0.3 0.465 90.3 114.0 -98.4 -4.1 -28.8 -4.4 -42.4 18 22 A Q < - 0 0 23 -3,-1.2 7,-0.1 -4,-0.3 6,-0.1 -0.406 54.8-147.4 -69.7 140.7 -31.6 -5.8 -40.2 19 23 A G - 0 0 21 4,-0.5 3,-0.3 -2,-0.1 -1,-0.1 0.165 45.0 -72.1 -85.7-150.3 -33.8 -8.5 -41.6 20 24 A T S S+ 0 0 132 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.716 126.7 68.3 -80.0 -20.9 -37.5 -9.1 -40.8 21 25 A E S S- 0 0 134 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.779 107.1-122.9 -69.6 -27.5 -36.6 -10.3 -37.3 22 26 A G S S+ 0 0 33 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.773 76.6 67.7 90.9 28.8 -35.5 -6.8 -36.3 23 27 A F S S+ 0 0 96 -6,-0.1 -4,-0.5 -8,-0.1 -1,-0.2 -0.930 79.9 10.7-173.3 148.9 -31.9 -7.4 -35.2 24 28 A G S S- 0 0 4 31,-2.3 2,-0.4 -2,-0.3 -7,-0.1 -0.426 92.0 -43.0 81.5-154.5 -28.5 -8.5 -36.5 25 29 A I - 0 0 35 -7,-0.1 2,-0.6 -2,-0.1 -7,-0.2 -0.922 38.3-148.8-121.0 141.1 -27.5 -8.8 -40.1 26 30 A D >> - 0 0 57 -9,-2.1 4,-1.9 -2,-0.4 3,-0.7 -0.932 10.0-151.1-110.5 111.6 -29.4 -10.2 -43.1 27 31 A A H 3> S+ 0 0 32 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.860 92.7 52.3 -47.5 -45.8 -27.0 -11.7 -45.6 28 32 A S H 3> S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.837 110.0 46.4 -65.3 -34.4 -29.3 -11.1 -48.6 29 33 A I H <> S+ 0 0 20 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.832 111.6 54.3 -75.5 -31.2 -29.8 -7.4 -47.9 30 34 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.950 109.1 46.4 -64.7 -50.2 -26.1 -7.1 -47.4 31 35 A D H X S+ 0 0 61 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.824 110.8 53.7 -61.5 -33.8 -25.3 -8.6 -50.8 32 36 A R H X S+ 0 0 69 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.857 106.7 51.3 -70.1 -36.4 -27.9 -6.4 -52.4 33 37 A X H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.902 106.7 55.4 -64.8 -43.2 -26.3 -3.3 -50.9 34 38 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.808 106.2 50.2 -60.6 -34.1 -23.0 -4.4 -52.3 35 39 A Q H X S+ 0 0 109 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.897 109.9 50.4 -72.5 -40.3 -24.4 -4.6 -55.8 36 40 A E H X S+ 0 0 25 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.815 114.4 43.6 -67.2 -31.4 -25.8 -1.1 -55.6 37 41 A I H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.797 107.1 61.1 -83.1 -29.6 -22.5 0.3 -54.4 38 42 A K H X S+ 0 0 52 -4,-1.6 4,-2.0 -5,-0.2 5,-0.2 0.948 101.9 53.3 -59.5 -46.7 -20.6 -1.8 -57.0 39 43 A E H X S+ 0 0 67 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.884 107.1 50.8 -56.6 -41.3 -22.5 0.1 -59.7 40 44 A L H <>S+ 0 0 0 -4,-0.9 5,-1.9 1,-0.2 -1,-0.2 0.909 108.9 51.0 -64.2 -43.3 -21.5 3.5 -58.2 41 45 A V H ><5S+ 0 0 31 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.865 111.1 48.5 -60.8 -39.4 -17.8 2.6 -58.1 42 46 A E H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 103.5 61.6 -69.8 -33.6 -18.0 1.5 -61.8 43 47 A L T 3<5S- 0 0 52 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.454 124.6-104.0 -71.9 -0.8 -19.7 4.8 -62.6 44 48 A G T < 5S+ 0 0 45 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.329 74.9 141.3 94.7 -6.3 -16.6 6.5 -61.4 45 49 A I < - 0 0 2 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.3 -0.483 48.5-134.1 -76.1 135.8 -18.0 7.7 -58.1 46 50 A Q E -a 7 0A 32 -40,-3.2 -38,-2.4 -2,-0.2 2,-0.5 -0.758 26.4-156.9 -89.2 128.3 -15.8 7.7 -55.0 47 51 A V E +a 8 0A 1 -2,-0.5 81,-2.5 -40,-0.2 2,-0.4 -0.916 20.1 179.0-119.7 128.4 -17.6 6.2 -52.0 48 52 A G E -ac 9 128A 0 -40,-1.2 -38,-2.9 -2,-0.5 2,-0.4 -0.953 17.7-157.5-116.4 136.9 -17.1 6.6 -48.3 49 53 A V E -ac 10 129A 0 79,-3.4 81,-3.9 -2,-0.4 2,-0.5 -0.968 13.9-171.9-125.3 133.5 -19.5 4.7 -46.0 50 54 A V E -ac 11 130A 1 -40,-2.8 -38,-2.2 -2,-0.4 2,-0.4 -0.976 16.4-168.1-119.0 116.0 -20.5 5.4 -42.4 51 55 A I E -a 12 0A 2 79,-0.7 82,-0.3 -2,-0.5 81,-0.2 -0.840 7.6-142.5-110.3 144.8 -22.6 2.6 -40.8 52 56 A G - 0 0 2 -40,-2.0 31,-0.2 -2,-0.4 32,-0.1 -0.119 9.4-136.0 -89.8-171.1 -24.5 2.7 -37.5 53 57 A G >> + 0 0 8 4,-0.1 4,-2.3 1,-0.1 3,-2.1 0.234 61.0 118.5-134.3 16.1 -25.1 0.0 -34.9 54 58 A G T 34 + 0 0 20 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.590 69.5 68.1 -61.6 -12.5 -28.7 0.2 -33.9 55 59 A N T 34 S+ 0 0 4 2,-0.1 -31,-2.3 -32,-0.1 -1,-0.3 0.369 121.6 16.8 -85.9 5.7 -29.4 -3.3 -35.1 56 60 A L T <4 S- 0 0 15 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.506 125.7 -0.9-137.6 -61.9 -27.2 -4.3 -32.1 57 61 A F < - 0 0 23 -4,-2.3 2,-0.4 19,-0.2 -1,-0.3 -0.990 37.4-168.7-147.4 153.8 -26.6 -1.7 -29.4 58 62 A R > - 0 0 150 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.995 20.7-143.3-138.2 127.8 -27.3 1.9 -28.3 59 63 A G H > S+ 0 0 6 -2,-0.4 4,-2.8 2,-0.2 14,-0.2 0.891 101.0 48.6 -58.2 -46.9 -25.5 3.6 -25.4 60 64 A A H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 111.8 51.2 -60.7 -43.6 -28.4 5.5 -24.1 61 65 A G H > S+ 0 0 43 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.890 112.6 45.3 -60.5 -42.8 -30.6 2.4 -24.2 62 66 A L H ><>S+ 0 0 26 -4,-2.2 5,-1.3 1,-0.2 3,-0.6 0.899 108.0 57.6 -68.1 -41.6 -27.9 0.4 -22.3 63 67 A A H ><5S+ 0 0 31 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.840 100.5 57.6 -58.9 -34.1 -27.4 3.2 -19.8 64 68 A K H 3<5S+ 0 0 180 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.876 99.6 59.7 -63.8 -34.6 -31.1 3.1 -18.9 65 69 A A T <<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.456 132.3 -91.6 -73.4 0.0 -30.6 -0.6 -18.0 66 70 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.082 84.2 130.8 114.6 -22.5 -28.0 0.5 -15.4 67 71 A X < - 0 0 18 -5,-1.3 2,-0.5 1,-0.1 -1,-0.3 -0.162 69.9 -90.8 -65.9 154.7 -24.8 0.4 -17.4 68 72 A N >> - 0 0 75 1,-0.2 4,-2.2 2,-0.0 3,-0.9 -0.531 34.8-135.1 -68.3 118.3 -22.2 3.2 -17.5 69 73 A R H 3> S+ 0 0 84 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.835 102.9 52.7 -41.9 -46.1 -23.2 5.4 -20.4 70 74 A V H 3> S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.897 110.5 46.8 -61.9 -40.6 -19.6 5.7 -21.7 71 75 A V H <> S+ 0 0 10 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.850 110.6 54.0 -68.8 -33.5 -19.2 1.9 -21.8 72 76 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.879 107.9 49.6 -66.2 -38.1 -22.6 1.6 -23.5 73 77 A D H X S+ 0 0 15 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.777 107.8 54.5 -71.8 -26.5 -21.4 4.0 -26.2 74 78 A H H X S+ 0 0 34 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.898 109.1 47.2 -73.0 -39.5 -18.2 1.9 -26.6 75 79 A X H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.886 111.3 52.4 -67.6 -38.1 -20.3 -1.2 -27.2 76 80 A G H >X S+ 0 0 10 -4,-1.9 4,-1.4 2,-0.2 3,-0.9 0.975 111.3 45.8 -60.7 -53.3 -22.4 0.8 -29.6 77 81 A X H >X S+ 0 0 17 -4,-2.4 4,-0.8 1,-0.3 3,-0.8 0.933 109.6 55.2 -53.9 -48.1 -19.3 1.9 -31.5 78 82 A L H 3X S+ 0 0 11 -4,-2.8 4,-0.8 1,-0.3 -1,-0.3 0.787 103.5 56.1 -57.2 -28.9 -18.0 -1.6 -31.5 79 83 A A H <>S+ 0 0 0 -4,-1.7 5,-1.5 2,-0.2 3,-1.4 0.970 110.9 45.7 -65.0 -54.3 -18.2 -5.9 -51.0 92 96 A H H ><5S+ 0 0 79 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.833 110.9 54.5 -59.0 -33.4 -15.1 -8.1 -51.4 93 97 A R H 3<5S+ 0 0 64 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.668 107.4 49.7 -76.3 -13.8 -17.4 -11.0 -52.4 94 98 A A T <<5S- 0 0 8 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.213 124.3-107.6-103.5 9.9 -19.0 -8.9 -55.1 95 99 A Y T < 5S+ 0 0 198 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.931 72.3 138.9 64.1 51.7 -15.4 -8.0 -56.3 96 100 A V < - 0 0 9 -5,-1.5 2,-0.3 -8,-0.2 -1,-0.2 -0.993 56.1-121.9-125.7 125.2 -15.3 -4.4 -55.1 97 101 A N + 0 0 94 -2,-0.4 30,-2.5 28,-0.3 2,-0.3 -0.539 47.8 158.8 -67.2 129.0 -12.1 -3.0 -53.5 98 102 A A E -d 127 0A 8 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.986 26.2-160.2-152.8 146.7 -13.0 -1.8 -50.1 99 103 A R E -d 128 0A 85 28,-2.2 30,-2.8 -2,-0.3 2,-0.5 -0.999 14.5-139.1-133.8 134.8 -11.2 -1.1 -46.8 100 104 A L E -d 129 0A 0 -2,-0.4 11,-1.1 28,-0.2 2,-0.4 -0.793 21.8-174.2 -92.9 129.6 -12.6 -0.9 -43.3 101 105 A X E -de 130 111A 0 28,-3.3 30,-3.1 -2,-0.5 2,-0.4 -0.946 8.3-151.4-122.9 147.7 -11.2 1.9 -41.2 102 106 A S E -de 131 112A 1 9,-1.5 11,-2.8 -2,-0.4 30,-0.2 -0.959 21.1-149.3-125.5 139.4 -12.0 2.4 -37.5 103 107 A A S S+ 0 0 25 28,-2.0 29,-0.1 -2,-0.4 -1,-0.1 0.592 98.3 61.9 -74.9 -11.0 -12.1 5.6 -35.4 104 108 A I S S- 0 0 18 27,-0.1 -1,-0.2 -27,-0.1 242,-0.1 -0.942 104.0-113.5-119.0 105.4 -11.1 3.2 -32.5 105 109 A P + 0 0 51 0, 0.0 241,-1.5 0, 0.0 6,-0.1 -0.094 42.6 169.4 -40.4 116.7 -7.7 1.5 -33.2 106 110 A L 0 0 2 4,-0.2 4,-1.3 239,-0.2 239,-0.2 -0.448 360.0 360.0-134.4 60.0 -8.4 -2.2 -33.7 107 111 A N 0 0 103 2,-0.1 3,-0.4 237,-0.1 238,-0.1 0.889 360.0 360.0 -60.5 360.0 -5.1 -3.6 -35.0 108 ! 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 0.0 109 113 A V 0 0 31 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 -63.9 -9.6 -7.0 -38.1 110 114 A C - 0 0 13 -4,-1.3 -4,-0.2 -3,-0.4 -9,-0.2 -0.961 360.0-103.0-160.1 169.6 -9.1 -3.6 -39.7 111 115 A D E -e 101 0A 61 -11,-1.1 -9,-1.5 -2,-0.3 2,-0.2 -0.423 44.3 -87.4 -96.1 176.2 -6.8 -0.6 -39.7 112 116 A S E -e 102 0A 41 -11,-0.2 -9,-0.2 -2,-0.1 -1,-0.1 -0.541 44.5 -96.4 -87.0 148.5 -7.2 2.8 -38.1 113 117 A Y + 0 0 41 -11,-2.8 2,-0.3 -2,-0.2 -1,-0.1 -0.389 44.8 175.7 -61.0 135.1 -8.9 5.7 -39.7 114 118 A S > - 0 0 55 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.910 25.8-149.1-147.2 111.8 -6.4 8.1 -41.3 115 119 A W H > S+ 0 0 127 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 98.7 46.5 -44.8 -56.7 -7.6 11.1 -43.2 116 120 A A H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.892 114.8 46.5 -57.1 -45.7 -4.7 11.1 -45.6 117 121 A E H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 110.7 54.8 -64.2 -40.5 -4.9 7.4 -46.3 118 122 A A H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.949 107.0 48.5 -57.6 -52.7 -8.7 7.7 -46.7 119 123 A I H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.826 112.9 50.2 -58.0 -34.1 -8.3 10.4 -49.4 120 124 A S H X S+ 0 0 48 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.920 110.1 47.4 -72.2 -45.2 -5.7 8.2 -51.1 121 125 A L H ><>S+ 0 0 10 -4,-2.7 5,-2.0 1,-0.2 3,-0.6 0.945 113.1 51.3 -60.8 -45.2 -7.9 5.1 -51.1 122 126 A L H ><5S+ 0 0 2 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.913 106.8 51.1 -58.1 -46.1 -10.8 7.2 -52.4 123 127 A R H 3<5S+ 0 0 162 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.762 107.8 56.5 -65.1 -20.4 -8.8 8.6 -55.3 124 128 A N T <<5S- 0 0 91 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.219 120.5-108.7 -94.4 13.4 -7.9 5.0 -56.1 125 129 A N T < 5S+ 0 0 79 -3,-1.9 2,-0.5 1,-0.2 -28,-0.3 0.829 71.0 142.2 64.9 34.5 -11.5 4.0 -56.4 126 130 A R < - 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0 0 50 -2,-0.3 4,-2.1 51,-0.2 3,-0.4 -0.792 34.0-112.0-110.0 156.0 -32.9 24.5 -46.3 185 189 A Y H > S+ 0 0 1 51,-0.4 4,-1.8 -2,-0.3 5,-0.2 0.879 118.6 56.0 -53.3 -37.3 -31.3 23.8 -42.9 186 190 A S H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 105.9 47.4 -63.8 -41.3 -33.3 26.8 -41.6 187 191 A E H > S+ 0 0 68 -3,-0.4 4,-3.1 2,-0.2 6,-0.3 0.889 108.0 56.2 -70.7 -36.4 -36.7 25.4 -42.7 188 192 A V H <>S+ 0 0 3 -4,-2.1 5,-3.0 1,-0.2 -2,-0.2 0.933 113.6 40.3 -58.1 -46.9 -35.9 22.0 -41.1 189 193 A L H ><5S+ 0 0 64 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.859 116.4 50.4 -70.1 -37.8 -35.2 23.6 -37.8 190 194 A E H 3<5S+ 0 0 138 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.930 113.5 43.1 -67.0 -49.1 -38.1 26.1 -38.1 191 195 A K T 3<5S- 0 0 95 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.305 111.2-119.8 -82.2 10.6 -40.7 23.5 -39.0 192 196 A E T < 5 + 0 0 169 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.883 50.3 175.8 54.5 41.7 -39.3 21.1 -36.3 193 197 A L < - 0 0 22 -5,-3.0 2,-0.8 -6,-0.3 -1,-0.2 -0.608 30.1-130.0 -83.9 139.2 -38.5 18.5 -38.9 194 198 A K + 0 0 201 -2,-0.3 -27,-0.2 -27,-0.2 3,-0.1 -0.780 52.0 135.4 -92.6 106.1 -36.7 15.3 -38.0 195 199 A V S S- 0 0 14 -2,-0.8 2,-0.3 1,-0.5 -1,-0.2 0.730 70.0 -43.8-112.0 -51.5 -33.8 14.7 -40.3 196 200 A X S S- 0 0 30 -53,-0.0 -1,-0.5 -54,-0.0 2,-0.0 -0.924 84.9 -32.5-164.8-173.2 -31.0 13.6 -37.9 197 201 A D > - 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