==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-10 3M5U . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR Y.KIM,M.GU,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK . 716 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 . 52 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 2 0 2 2 1 1 2 2 0 1 1 1 3 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 . 4 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 X 0 0 215 0, 0.0 2,-0.0 0, 0.0 385,-0.0 0.000 360.0 360.0 360.0 48.8 58.6 10.7 69.3 2 2 A R - 0 0 66 1,-0.1 390,-0.2 3,-0.0 389,-0.1 -0.272 360.0-118.0 -60.7 135.0 55.2 9.9 67.9 3 3 A K - 0 0 77 388,-2.1 2,-0.7 1,-0.1 315,-0.2 -0.275 24.7-110.0 -63.2 153.5 52.3 9.6 70.4 4 4 A I E -a 318 0A 24 313,-3.3 315,-2.7 338,-0.1 2,-0.7 -0.828 43.2-152.4 -84.2 124.1 50.4 6.3 70.7 5 5 A N E +a 319 0A 3 -2,-0.7 7,-0.4 313,-0.2 315,-0.2 -0.858 31.5 171.1-116.6 111.5 47.1 7.4 69.3 6 6 A F + 0 0 0 313,-3.1 327,-1.3 -2,-0.7 314,-0.2 0.169 28.0 149.7 -97.9 15.7 43.8 5.7 70.2 7 7 A S - 0 0 12 389,-0.2 5,-0.4 1,-0.1 314,-0.1 -0.170 46.1-139.9 -52.6 143.1 41.5 8.2 68.4 8 8 A A S S+ 0 0 15 1,-0.3 3,-0.2 312,-0.2 -1,-0.1 0.468 78.1 18.8 -83.6 -6.0 38.2 6.8 67.1 9 9 A G S S+ 0 0 12 1,-1.2 390,-0.3 387,-0.1 -1,-0.3 -0.172 118.9 32.7 138.0 125.7 38.3 8.8 63.9 10 10 A P S S- 0 0 2 0, 0.0 -1,-1.2 0, 0.0 2,-0.2 0.615 98.7-166.8 -57.9 156.2 40.0 10.2 62.2 11 11 A S - 0 0 4 179,-1.3 -3,-0.1 183,-0.3 -5,-0.1 -0.639 23.4 -72.4-123.6 172.7 42.5 7.6 63.4 12 12 A T - 0 0 15 -7,-0.4 325,-0.3 -5,-0.4 182,-0.2 -0.246 45.6-141.4 -65.1 147.6 46.2 6.8 63.5 13 13 A L - 0 0 6 324,-0.1 -1,-0.1 323,-0.1 380,-0.1 -0.828 29.7 -91.0-108.6 151.4 47.8 5.7 60.2 14 14 A P >> - 0 0 7 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.382 38.2-132.0 -55.8 131.4 50.5 3.1 59.7 15 15 A L H 3> S+ 0 0 75 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.860 103.0 57.5 -58.5 -37.7 53.7 5.0 60.0 16 16 A E H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 105.9 50.3 -67.5 -29.1 55.2 3.5 56.8 17 17 A I H <> S+ 0 0 7 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.912 112.4 47.1 -71.0 -41.2 52.3 4.7 54.8 18 18 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.916 112.2 50.7 -61.6 -45.0 52.8 8.2 56.3 19 19 A E H X S+ 0 0 89 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.875 109.8 49.1 -61.9 -41.1 56.5 8.1 55.6 20 20 A Q H X S+ 0 0 71 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.923 112.7 47.7 -65.3 -43.4 55.9 7.0 52.0 21 21 A A H < S+ 0 0 1 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.859 113.1 49.5 -68.4 -36.6 53.4 9.9 51.5 22 22 A Q H >< S+ 0 0 51 -4,-2.4 3,-2.0 1,-0.2 4,-0.3 0.980 106.7 53.0 -63.9 -55.4 55.8 12.4 53.1 23 23 A K H 3< S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.739 121.5 31.8 -59.7 -20.1 58.9 11.4 51.1 24 24 A E T 3< S+ 0 0 19 -4,-1.1 11,-0.5 -5,-0.1 -1,-0.3 0.189 81.5 112.2-125.5 20.6 57.0 11.9 47.8 25 25 A L S < S+ 0 0 2 -3,-2.0 11,-0.3 -4,-0.2 3,-0.2 0.803 91.1 31.0 -61.8 -31.7 54.5 14.7 48.6 26 26 A C S S+ 0 0 18 -4,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.646 133.4 30.0 -99.3 -17.3 56.3 17.2 46.3 27 27 A D S > S- 0 0 61 5,-0.1 3,-1.6 -4,-0.1 2,-0.4 -0.626 75.5-154.6-150.9 78.2 57.5 14.8 43.8 28 28 A Y G > S- 0 0 10 5,-2.8 3,-2.6 1,-0.3 5,-0.2 -0.411 80.5 -25.0 -66.8 114.5 55.5 11.6 43.2 29 29 A Q G 3 S- 0 0 96 -2,-0.4 -1,-0.3 1,-0.3 -5,-0.1 0.773 115.8 -67.4 57.7 29.6 57.7 8.8 41.9 30 30 A G G < S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.582 102.9 129.7 66.1 12.2 60.1 11.4 40.5 31 31 A R S < S- 0 0 89 -3,-2.6 -2,-0.1 2,-0.2 -1,-0.1 0.577 78.7-111.4 -73.1 -12.9 57.4 12.5 38.0 32 32 A G S S+ 0 0 1 1,-0.3 330,-3.0 329,-0.1 2,-0.3 0.736 85.5 62.3 91.0 25.8 58.0 16.2 39.0 33 33 A Y S S- 0 0 22 -5,-0.2 -5,-2.8 328,-0.2 -1,-0.3 -0.957 85.1 -89.4-165.1 163.9 54.7 17.0 40.7 34 34 A S > - 0 0 0 -2,-0.3 3,-2.6 -7,-0.2 4,-0.2 -0.509 27.4-125.7 -78.5 144.3 52.6 15.9 43.7 35 35 A I G > S+ 0 0 3 -11,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.854 116.2 60.9 -54.8 -27.6 50.0 13.1 43.5 36 36 A X G 3 S+ 0 0 3 -11,-0.3 -1,-0.3 1,-0.2 519,-0.3 0.493 98.7 61.4 -70.3 -6.3 47.8 15.9 44.9 37 37 A E G < S+ 0 0 0 -3,-2.6 -1,-0.2 332,-0.1 2,-0.2 0.338 85.5 70.7-117.9 3.5 48.4 18.0 41.9 38 38 A I S < S- 0 0 5 -3,-0.7 2,-0.1 -4,-0.2 199,-0.1 -0.623 81.0 -80.4-116.6-179.2 47.2 16.4 38.7 39 39 A S - 0 0 32 -2,-0.2 6,-0.3 1,-0.1 3,-0.3 -0.457 26.6-134.5 -73.7 148.3 44.0 15.5 36.8 40 40 A H S S+ 0 0 14 328,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.670 101.2 74.1 -68.8 -20.0 42.2 12.4 37.8 41 41 A R S S+ 0 0 139 4,-0.1 2,-0.3 5,-0.0 -1,-0.2 -0.435 76.1 102.6 -95.7 57.7 42.0 11.8 34.0 42 42 A T S > S- 0 0 43 -2,-1.0 4,-2.2 -3,-0.3 5,-0.2 -0.916 80.9-118.0-132.6 157.4 45.6 10.7 33.6 43 43 A K H > S+ 0 0 166 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.888 115.0 56.0 -62.1 -39.3 47.1 7.3 33.2 44 44 A V H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.955 109.6 41.2 -63.0 -52.2 49.0 7.9 36.4 45 45 A F H > S+ 0 0 0 -6,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.887 112.1 57.1 -64.1 -37.5 46.0 8.6 38.6 46 46 A E H X S+ 0 0 79 -4,-2.2 4,-3.6 2,-0.2 5,-0.5 0.904 100.1 57.7 -58.2 -43.5 44.0 5.9 37.0 47 47 A E H X S+ 0 0 120 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.921 113.9 39.2 -50.9 -47.4 46.6 3.3 37.9 48 48 A V H X S+ 0 0 4 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.909 117.3 50.5 -67.7 -44.3 46.1 4.3 41.5 49 49 A H H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.945 119.0 34.8 -61.9 -51.2 42.4 4.6 41.2 50 50 A F H X S+ 0 0 58 -4,-3.6 4,-1.7 2,-0.2 -1,-0.2 0.760 113.2 58.0 -84.0 -25.7 41.8 1.2 39.6 51 51 A G H X S+ 0 0 14 -4,-1.7 4,-2.6 -5,-0.5 5,-0.2 0.906 106.3 51.3 -65.4 -40.9 44.5 -0.6 41.5 52 52 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.894 108.3 51.0 -61.7 -41.2 42.8 0.4 44.7 53 53 A Q H X S+ 0 0 21 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.907 113.9 45.2 -60.9 -42.9 39.4 -1.0 43.5 54 54 A E H X S+ 0 0 110 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 112.3 49.0 -70.7 -44.0 41.0 -4.3 42.5 55 55 A K H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.904 108.9 53.6 -65.9 -37.3 43.0 -4.7 45.7 56 56 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.941 110.5 47.8 -60.3 -44.3 39.9 -4.0 47.9 57 57 A K H X>S+ 0 0 39 -4,-1.6 5,-2.5 1,-0.2 4,-0.6 0.883 111.3 50.5 -65.4 -37.0 38.1 -6.7 46.0 58 58 A K H ><5S+ 0 0 119 -4,-2.2 3,-0.6 3,-0.2 -1,-0.2 0.898 106.6 54.4 -66.0 -39.8 41.0 -9.1 46.4 59 59 A L H 3<5S+ 0 0 8 -4,-2.6 197,-0.4 1,-0.3 -2,-0.2 0.927 118.5 34.8 -61.3 -42.9 41.2 -8.5 50.2 60 60 A Y H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.421 107.1-124.5 -88.7 -1.6 37.5 -9.4 50.6 61 61 A E T <<5 + 0 0 132 -3,-0.6 2,-0.2 -4,-0.6 -3,-0.2 0.894 48.5 173.6 55.2 39.3 37.6 -12.1 47.8 62 62 A L < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.557 19.0-146.0 -74.9 142.3 34.8 -10.3 46.1 63 63 A N > - 0 0 80 -2,-0.2 3,-1.6 1,-0.0 -1,-0.1 -0.259 39.4 -78.8 -95.3-172.1 33.6 -11.5 42.6 64 64 A D T 3 S+ 0 0 131 1,-0.3 -2,-0.0 -2,-0.1 141,-0.0 0.493 112.8 85.5 -73.4 2.4 32.3 -9.5 39.6 65 65 A D T 3 S+ 0 0 90 139,-0.1 140,-2.3 140,-0.0 2,-0.4 0.701 87.9 65.0 -72.3 -16.6 28.9 -9.2 41.2 66 66 A Y E < -B 204 0B 10 -3,-1.6 2,-0.4 138,-0.2 138,-0.2 -0.880 65.3-154.5-112.7 144.8 30.2 -6.1 43.0 67 67 A E E -B 203 0B 56 136,-2.7 136,-2.6 -2,-0.4 2,-0.7 -0.864 17.4-137.6-101.0 140.4 31.5 -2.7 42.0 68 68 A V E -B 202 0B 3 -2,-0.4 2,-0.4 134,-0.2 134,-0.2 -0.914 24.3-168.2 -96.9 113.4 33.9 -0.8 44.2 69 69 A L E -B 201 0B 1 132,-3.1 132,-2.7 -2,-0.7 2,-0.6 -0.820 13.6-155.8-101.3 138.5 32.8 2.9 44.4 70 70 A F E +B 200 0B 4 -2,-0.4 2,-0.3 130,-0.2 130,-0.2 -0.958 29.0 165.4-112.1 109.7 35.0 5.8 45.8 71 71 A L E -B 199 0B 7 128,-2.0 128,-2.8 -2,-0.6 3,-0.2 -0.801 30.1-124.4-120.6 166.5 32.7 8.7 46.9 72 72 A Q S S+ 0 0 13 -2,-0.3 126,-0.2 126,-0.2 359,-0.0 -0.626 75.2 65.9 -99.6 164.6 33.0 11.8 49.0 73 73 A G S > S- 0 0 1 124,-0.3 4,-1.3 -2,-0.2 3,-0.2 0.494 89.9-111.0 106.1 6.8 30.9 12.8 52.0 74 74 A G H >> - 0 0 1 -3,-0.2 3,-1.0 1,-0.2 4,-0.8 0.082 57.1 -51.4 61.6-178.5 31.8 10.2 54.6 75 75 A A H 3> S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.817 129.6 70.9 -61.9 -30.5 29.4 7.5 55.9 76 76 A S H 3> S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.826 91.8 55.1 -59.4 -35.5 26.8 10.2 56.6 77 77 A L H XX S+ 0 0 10 -4,-1.3 4,-2.8 -3,-1.0 3,-1.4 0.906 102.2 59.3 -64.4 -38.4 26.1 10.8 53.0 78 78 A Q H 3X S+ 0 0 0 -4,-0.8 4,-3.4 -3,-0.4 -2,-0.2 0.878 90.8 68.0 -56.1 -39.5 25.4 7.1 52.6 79 79 A F H 3< S+ 0 0 5 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.812 114.5 31.6 -50.7 -30.9 22.5 7.3 55.2 80 80 A A H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 3,-0.6 0.976 111.7 33.7 -61.4 -55.8 21.2 4.4 50.5 83 83 A P H 3> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.890 114.8 59.0 -66.2 -39.7 17.4 5.0 50.7 84 84 A X H 3< S+ 0 0 30 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.815 121.1 26.4 -55.9 -30.9 17.4 7.4 47.8 85 85 A N H << S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.6 -3,-0.2 0.861 128.5 33.6-102.1 -46.5 18.8 4.6 45.6 86 86 A L H < S+ 0 0 0 -4,-3.0 2,-0.2 -5,-0.3 -2,-0.1 0.466 91.3 104.7-104.3 -5.3 17.8 1.2 46.9 87 87 A A < + 0 0 6 -4,-1.4 2,-0.2 -5,-0.4 4,-0.0 -0.476 40.3 169.5 -72.8 145.3 14.4 2.0 48.4 88 88 A L - 0 0 79 -2,-0.2 51,-0.1 2,-0.0 -1,-0.0 -0.519 58.5 -66.7-126.1-152.4 11.2 1.0 46.6 89 89 A N S S+ 0 0 169 -2,-0.2 -2,-0.1 24,-0.1 50,-0.0 0.533 107.5 91.2 -72.2 -5.8 7.5 1.0 47.6 90 90 A G S S- 0 0 22 1,-0.2 24,-0.4 48,-0.0 2,-0.4 0.156 89.2 -77.1 -81.5-168.8 8.3 -1.7 50.2 91 91 A V - 0 0 47 46,-0.3 48,-2.8 22,-0.1 49,-0.8 -0.768 34.3-147.4 -85.7 140.2 9.3 -1.6 53.8 92 92 A C E -cd 115 140B 0 22,-2.9 24,-2.5 -2,-0.4 2,-0.4 -0.951 18.0-152.2-107.7 116.4 12.9 -0.7 54.7 93 93 A E E -cd 116 141B 5 47,-2.4 49,-2.4 -2,-0.6 2,-0.4 -0.718 14.3-176.4-100.3 134.7 14.0 -2.6 57.8 94 94 A Y E -cd 117 142B 1 22,-2.8 24,-1.2 -2,-0.4 25,-0.9 -0.970 21.0-144.2-129.0 141.9 16.7 -1.4 60.2 95 95 A A E -c 119 0B 0 47,-2.3 2,-0.8 -2,-0.4 49,-0.3 -0.930 22.0-141.0-105.9 120.5 18.3 -2.9 63.3 96 96 A N E +c 120 0B 8 23,-2.8 25,-2.1 -2,-0.6 26,-0.3 -0.674 41.0 146.6 -87.7 105.1 19.0 -0.1 65.9 97 97 A T - 0 0 0 -2,-0.8 2,-0.3 23,-0.2 -1,-0.2 0.405 61.7 -32.7-122.1 3.0 22.4 -0.7 67.6 98 98 A G S > S- 0 0 0 1,-0.1 4,-2.1 51,-0.1 3,-0.4 -0.991 86.0 -44.9 171.9-162.5 23.8 2.7 68.4 99 99 A V H > S+ 0 0 27 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.865 125.2 53.5 -62.2 -37.8 24.2 6.3 67.5 100 100 A W H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.790 108.5 46.1 -79.3 -26.2 24.9 5.6 63.9 101 101 A T H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.844 109.2 56.1 -79.8 -35.2 21.8 3.5 63.2 102 102 A K H X S+ 0 0 90 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.942 111.1 45.3 -54.3 -46.3 19.6 6.0 64.9 103 103 A K H X S+ 0 0 57 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.921 111.8 50.6 -66.0 -42.3 21.0 8.6 62.5 104 104 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.918 110.0 51.1 -63.3 -43.3 20.6 6.4 59.5 105 105 A I H X S+ 0 0 11 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.910 108.1 52.5 -56.6 -44.9 17.0 5.7 60.5 106 106 A K H X S+ 0 0 110 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.931 108.0 50.5 -61.4 -46.1 16.2 9.4 60.8 107 107 A E H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 110.0 48.8 -60.5 -44.9 17.5 10.2 57.4 108 108 A A H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.917 112.4 49.9 -60.7 -42.5 15.5 7.4 55.6 109 109 A Q H ><5S+ 0 0 109 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.895 106.5 54.8 -61.0 -42.4 12.4 8.7 57.5 110 110 A I H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.906 105.0 53.8 -55.4 -42.1 13.2 12.3 56.4 111 111 A L T 3<5S- 0 0 61 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.468 121.6-113.7 -72.5 -1.8 13.2 10.9 52.8 112 112 A G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.714 60.2 160.2 75.5 21.2 9.7 9.5 53.6 113 113 A V < - 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0 0 4 -3,-0.3 4,-0.8 1,-0.2 3,-0.5 -0.017 57.1 -50.1 69.3-176.0 33.1 19.2 44.9 434 75 B A H >> S+ 0 0 17 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.847 131.1 70.9 -56.5 -36.4 31.2 21.9 43.0 435 76 B S H >4 S+ 0 0 8 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.835 92.8 53.1 -58.4 -40.2 29.1 19.1 41.5 436 77 B L H >X S+ 0 0 10 -4,-1.5 4,-2.8 -3,-0.5 3,-1.6 0.860 101.7 61.5 -60.8 -35.5 27.2 18.4 44.7 437 78 B Q H S+ 0 0 1 -3,-1.6 4,-1.8 -4,-0.4 -2,-0.2 0.831 117.5 52.0 -99.8 -46.8 22.1 19.7 43.6 440 81 B X H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.4 0.849 101.6 64.8 -65.6 -32.8 22.2 21.3 47.0 441 82 B I H X>S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.6 0.979 111.5 30.7 -56.8 -60.5 21.6 24.7 45.6 442 83 B P H >5S+ 0 0 5 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.818 115.4 61.8 -73.2 -21.1 18.1 24.1 44.3 443 84 B X H <5S+ 0 0 29 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.885 121.4 22.4 -66.7 -36.7 17.3 21.6 47.1 444 85 B N H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -3,-0.4 -1,-0.1 0.888 133.3 33.2 -90.7 -48.0 17.8 24.3 49.7 445 86 B L H <5S+ 0 0 0 -4,-2.8 -2,-0.1 -5,-0.4 -4,-0.1 0.643 90.3 101.7 -99.3 -19.1 17.3 27.6 48.0 446 87 B A << - 0 0 6 -4,-0.9 2,-0.2 -5,-0.6 4,-0.0 -0.371 47.0-179.3 -66.1 143.3 14.7 26.8 45.4 447 88 B L - 0 0 78 26,-0.1 26,-0.3 -2,-0.1 51,-0.1 -0.575 51.8 -73.1-123.6-166.0 11.1 27.9 46.1 448 89 B N S S+ 0 0 173 -2,-0.2 -2,-0.1 24,-0.1 0, 0.0 0.458 109.8 85.3 -68.2 0.5 7.7 27.6 44.3 449 90 B G S S- 0 0 26 1,-0.1 24,-0.5 48,-0.0 2,-0.4 0.047 92.3 -78.2 -87.5-163.9 9.1 30.3 42.0 450 91 B V - 0 0 37 46,-0.2 48,-2.3 22,-0.1 49,-0.6 -0.854 33.3-145.3-101.2 139.4 11.2 30.2 38.9 451 92 B C E -op 474 499F 0 22,-3.0 24,-2.2 -2,-0.4 2,-0.4 -0.911 16.5-146.9-107.9 117.7 15.0 29.7 39.1 452 93 B E E -op 475 500F 3 47,-2.4 49,-3.1 -2,-0.6 2,-0.4 -0.650 15.4-173.3 -94.5 130.9 16.9 31.6 36.4 453 94 B Y E -op 476 501F 1 22,-2.9 24,-1.8 -2,-0.4 25,-0.8 -0.965 18.5-146.9-122.6 140.9 20.1 30.2 34.9 454 95 B A E -o 478 0F 0 47,-2.3 2,-0.7 -2,-0.4 49,-0.3 -0.931 21.3-142.6-102.6 117.8 22.6 31.8 32.5 455 96 B N E +o 479 0F 8 23,-2.8 25,-1.9 -2,-0.6 26,-0.3 -0.663 42.3 141.8 -88.6 112.5 24.2 29.1 30.2 456 97 B T - 0 0 0 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.314 63.3 -18.2-131.8 8.9 27.9 29.7 29.5 457 98 B G S > S- 0 0 1 1,-0.1 4,-2.2 51,-0.1 -1,-0.2 -0.992 84.8 -59.6 172.0-172.3 29.6 26.4 29.4 458 99 B V H > S+ 0 0 21 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.865 125.1 54.3 -67.6 -32.2 29.6 22.7 30.3 459 100 B W H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.824 108.9 47.5 -76.2 -31.1 29.3 23.5 34.1 460 101 B T H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.918 110.5 52.1 -73.6 -41.1 26.2 25.6 33.6 461 102 B K H X S+ 0 0 91 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 112.0 47.5 -57.6 -40.7 24.6 22.9 31.4 462 103 B K H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.961 111.9 48.6 -64.0 -51.9 25.3 20.4 34.1 463 104 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 111.5 51.0 -54.5 -44.1 23.9 22.6 36.8 464 105 B I H X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.950 109.3 50.5 -58.7 -47.0 20.8 23.3 34.7 465 106 B K H X S+ 0 0 124 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 108.2 52.0 -59.9 -43.6 20.3 19.6 34.2 466 107 B E H X S+ 0 0 10 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.872 108.3 50.1 -65.1 -37.1 20.5 18.8 37.9 467 108 B A H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 -1,-0.2 0.908 110.6 50.3 -66.1 -41.8 17.9 21.4 38.8 468 109 B Q H ><5S+ 0 0 103 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.909 105.0 57.3 -59.5 -44.4 15.5 20.0 36.2 469 110 B I H 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.4 51.5 -52.9 -38.4 16.1 16.4 37.6 470 111 B L T 3<5S- 0 0 61 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.295 120.5-113.7 -84.0 8.8 14.9 17.8 40.9 471 112 B G T < 5 + 0 0 67 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.782 60.6 158.8 66.4 26.5 11.8 19.2 39.2 472 113 B V < - 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