==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 06-JUL-09 3I5O . COMPND 2 MOLECULE: OLIGOPEPTIDE ABC TRANSPORTER, PERIPLASMIC OLIGOPE . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.J.CUNEO,H.W.HELLINGA . 1163 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 768 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 0.2 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 . 69 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 8 0 0 2 4 4 12 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 8 2 4 4 8 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 . 0 6 4 0 2 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 S 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.1 0.4 23.7 110.2 2 3 A L - 0 0 25 1,-0.1 2,-0.5 2,-0.0 5,-0.1 -0.681 360.0-110.3 -89.0 138.2 1.3 27.4 110.4 3 4 A P > - 0 0 56 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.558 28.4-146.6 -66.7 115.0 -1.4 30.1 110.0 4 5 A R G > S+ 0 0 49 -2,-0.5 3,-1.2 1,-0.3 5,-0.1 0.842 92.9 50.5 -56.3 -41.8 -0.5 31.7 106.6 5 6 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.1 545,-0.1 0.630 113.4 46.7 -75.7 -11.8 -1.5 35.2 107.4 6 7 A D G < S+ 0 0 48 -3,-1.5 200,-2.0 198,-0.1 199,-1.2 0.210 101.8 82.3-111.9 11.5 0.5 35.3 110.6 7 8 A T E < -a 206 0A 0 -3,-1.2 2,-0.6 -4,-0.2 200,-0.2 -0.957 61.5-152.8-121.0 134.4 3.6 33.8 109.1 8 9 A V E -a 207 0A 0 198,-2.6 200,-2.8 -2,-0.4 2,-0.4 -0.942 18.1-152.8 -99.6 117.9 6.4 35.4 107.2 9 10 A Y E -a 208 0A 47 -2,-0.6 220,-2.5 198,-0.2 219,-2.2 -0.777 15.2-157.6 -90.8 136.0 8.0 32.9 104.8 10 11 A I E -ab 209 229A 1 198,-2.9 200,-0.5 -2,-0.4 2,-0.3 -0.867 12.7-173.4-122.1 147.2 11.6 33.6 104.1 11 12 A G E + b 0 230A 0 218,-1.8 220,-1.7 -2,-0.3 200,-0.1 -0.938 61.0 25.0-132.6 158.9 14.1 32.7 101.3 12 13 A G S S+ 0 0 6 -2,-0.3 3,-0.1 2,-0.3 523,-0.1 0.523 97.2 83.3 74.4 8.3 17.8 33.1 100.6 13 14 A A S S+ 0 0 16 1,-0.3 2,-0.6 521,-0.1 -1,-0.1 0.724 83.4 52.1-112.2 -32.4 19.0 33.4 104.2 14 15 A L + 0 0 8 196,-0.2 2,-0.4 16,-0.1 198,-0.4 -0.950 63.2 173.3-111.6 116.8 19.3 29.7 105.3 15 16 A W + 0 0 27 -2,-0.6 15,-0.1 2,-0.1 198,-0.1 -0.985 53.5 6.1-125.6 137.9 21.3 27.4 103.1 16 17 A G S S- 0 0 10 196,-0.4 3,-0.1 -2,-0.4 196,-0.0 -0.209 107.7 -34.9 76.7-179.1 22.2 23.9 104.0 17 18 A P - 0 0 69 0, 0.0 -2,-0.1 0, 0.0 166,-0.1 -0.253 68.4 -95.2 -72.8 157.7 20.8 22.1 107.2 18 19 A A + 0 0 19 163,-0.3 3,-0.1 1,-0.1 162,-0.0 -0.381 43.8 179.2 -59.4 152.7 20.2 23.8 110.5 19 20 A T - 0 0 37 1,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.552 46.3 -33.7-121.7 -82.0 23.2 23.4 112.8 20 21 A T - 0 0 11 2,-0.1 9,-2.9 7,-0.1 -1,-0.5 -0.824 31.1-134.8-135.3 177.9 22.9 25.0 116.2 21 22 A W S S+ 0 0 0 141,-2.5 2,-0.5 -2,-0.3 7,-0.1 -0.254 76.4 107.2-123.0 39.7 21.4 28.0 118.0 22 23 A N > - 0 0 0 5,-0.3 3,-2.1 139,-0.1 5,-0.1 -0.960 57.5-158.3-126.9 110.7 24.6 28.5 119.9 23 24 A L T 3 S+ 0 0 20 -2,-0.5 5,-0.1 1,-0.3 77,-0.1 0.560 94.3 58.8 -70.7 -5.7 26.8 31.5 118.9 24 25 A Y T 3 S+ 0 0 0 134,-0.2 -1,-0.3 76,-0.2 4,-0.0 0.437 87.8 95.8 -98.5 -2.6 29.8 29.8 120.5 25 26 A A S < S- 0 0 5 -3,-2.1 75,-0.1 1,-0.1 135,-0.1 -0.487 91.8-107.8 -84.5 159.1 29.5 26.7 118.2 26 27 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.814 106.2 15.2 -57.4 -33.4 31.5 26.3 115.0 27 28 A Q - 0 0 26 -5,-0.1 2,-0.3 2,-0.0 -5,-0.3 -0.995 70.0-171.7-139.2 142.7 28.3 27.0 113.1 28 29 A S - 0 0 49 -2,-0.3 2,-0.3 -9,-0.1 -7,-0.2 -0.879 29.7 -98.8-128.0 167.2 25.0 28.3 114.1 29 30 A T > - 0 0 4 -9,-2.9 3,-2.4 -2,-0.3 4,-0.3 -0.620 41.7 -94.9 -93.1 137.9 21.6 28.6 112.3 30 31 A W T 3 S+ 0 0 18 -2,-0.3 -1,-0.1 1,-0.3 -16,-0.1 -0.176 112.8 37.9 -44.1 133.8 20.3 31.7 110.5 31 32 A G T 3>>S+ 0 0 0 504,-0.1 4,-2.2 -18,-0.1 5,-1.1 -0.016 89.9 95.1 108.5 -25.6 18.0 33.5 112.9 32 33 A T H <>>S+ 0 0 0 -3,-2.4 4,-1.1 3,-0.2 5,-1.1 0.980 98.6 23.7 -63.1 -58.8 20.1 32.9 116.0 33 34 A D H 45S+ 0 0 61 -4,-0.3 4,-0.4 3,-0.2 -1,-0.2 0.920 124.0 55.6 -72.9 -41.7 22.1 36.2 115.9 34 35 A Q H 45S+ 0 0 26 1,-0.2 506,-0.3 2,-0.1 -2,-0.2 0.902 129.3 3.3 -59.7 -46.0 19.5 38.1 113.9 35 36 A F H <5S+ 0 0 1 -4,-2.2 140,-1.0 138,-0.1 -3,-0.2 0.658 124.8 54.2-120.3 -23.9 16.5 37.6 116.1 36 37 A M T <>> -G 49 0B 0 5,-3.4 5,-1.7 1,-0.2 4,-1.0 -0.896 11.2-176.2-114.8 95.9 21.2 52.2 112.2 45 46 A L T 345S+ 0 0 32 -2,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.884 80.8 60.4 -60.7 -39.0 23.3 52.6 109.0 46 47 A G T 345S+ 0 0 45 1,-0.2 -1,-0.2 -3,-0.1 483,-0.1 0.825 120.6 24.1 -60.6 -33.7 20.4 54.3 107.2 47 48 A R T <45S- 0 0 80 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.381 100.7-125.1-109.6 1.2 20.3 57.2 109.8 48 49 A D T <5S+ 0 0 70 -4,-1.0 523,-2.3 -3,-0.5 524,-0.4 0.962 75.2 112.8 43.1 58.8 23.9 56.9 111.0 49 50 A A E < -GH 44 570B 0 -5,-1.7 -5,-3.4 521,-0.3 2,-0.5 -0.905 65.3-116.6-148.7 173.4 22.4 56.6 114.5 50 51 A W E -GH 43 569B 12 519,-2.1 519,-2.7 -2,-0.3 -7,-0.2 -0.971 13.4-145.5-126.9 125.0 22.1 54.1 117.3 51 52 A I E -G 42 0B 0 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.7 -0.764 21.1-131.7 -83.8 123.5 18.9 52.6 118.8 52 53 A P E +G 41 0B 5 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.692 44.3 157.5 -73.6 113.0 19.1 52.0 122.5 53 54 A V S S+ 0 0 0 -13,-2.3 -13,-0.2 -2,-0.7 -12,-0.2 0.729 73.0 2.7-103.4 -90.4 17.9 48.4 122.7 54 55 A I S S+ 0 0 0 -15,-1.9 17,-2.8 16,-0.1 2,-0.3 0.854 134.2 60.3 -68.3 -30.7 18.9 46.4 125.7 55 56 A A E -I 70 0C 0 -15,-2.2 15,-0.3 15,-0.3 3,-0.1 -0.670 65.5-164.7 -91.1 150.1 20.6 49.5 126.9 56 57 A E E - 0 0 78 13,-3.1 2,-0.3 1,-0.4 14,-0.1 0.679 69.1 -15.9-103.4 -21.4 18.7 52.7 127.5 57 58 A R E -I 69 0C 103 12,-1.0 12,-2.8 2,-0.0 -1,-0.4 -0.979 54.8-136.2-168.4 168.5 21.6 55.2 127.6 58 59 A Y E -I 68 0C 26 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.881 9.2-162.9-129.4 164.6 25.4 55.6 128.0 59 60 A E E -I 67 0C 101 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.927 17.3-135.4-149.4 124.9 27.6 58.0 129.9 60 61 A F E -I 66 0C 22 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.711 12.0-171.7 -77.4 122.7 31.3 58.7 129.3 61 62 A V E S- 0 0 80 4,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.870 82.1 -24.0 -76.3 -44.2 33.2 58.7 132.6 62 63 A D E > S-I 65 0C 53 3,-1.3 3,-1.2 -3,-0.1 -1,-0.4 -0.859 85.6 -79.9-146.4-170.3 36.1 60.0 130.5 63 64 A D T 3 S+ 0 0 17 518,-0.8 519,-0.1 -2,-0.3 3,-0.1 0.690 131.8 38.6 -70.2 -12.7 37.0 59.7 126.8 64 65 A K T 3 S+ 0 0 65 517,-0.2 60,-2.9 1,-0.1 2,-0.4 0.284 107.9 68.4-115.6 6.5 38.3 56.2 127.4 65 66 A T E < -IJ 62 123C 4 -3,-1.2 -4,-2.9 58,-0.2 -3,-1.3 -0.947 60.5-176.2-137.7 112.4 35.8 54.9 129.9 66 67 A L E -IJ 60 122C 0 56,-2.9 56,-3.0 -2,-0.4 2,-0.4 -0.924 10.3-158.9-120.0 125.4 32.2 54.2 128.9 67 68 A R E -IJ 59 121C 81 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.5 -0.842 6.1-160.5-100.5 138.6 29.3 53.2 131.0 68 69 A I E -IJ 58 120C 0 52,-2.7 52,-2.4 -2,-0.4 2,-0.7 -0.980 9.3-145.9-120.9 128.8 26.2 51.5 129.5 69 70 A Y E -IJ 57 119C 30 -12,-2.8 -13,-3.1 -2,-0.5 -12,-1.0 -0.856 12.4-142.2-103.4 113.1 23.0 51.5 131.4 70 71 A I E -I 55 0C 5 48,-2.9 -15,-0.3 -2,-0.7 -16,-0.1 -0.516 28.9-103.0 -75.2 137.3 20.8 48.4 130.9 71 72 A R > - 0 0 24 -17,-2.8 3,-1.2 -2,-0.2 11,-0.2 -0.343 20.0-132.3 -58.7 136.1 17.1 49.0 130.8 72 73 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.850 109.2 54.4 -54.2 -33.4 15.3 48.0 134.0 73 74 A E T 3 S+ 0 0 91 8,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.654 77.7 114.2 -75.4 -20.1 12.8 46.1 131.8 74 75 A A < + 0 0 0 -3,-1.2 8,-2.5 -20,-0.2 2,-0.3 -0.389 41.9 159.1 -66.3 119.8 15.5 44.1 129.9 75 76 A R B -L 81 0D 108 6,-0.3 119,-0.5 -2,-0.3 120,-0.1 -1.000 42.2-111.8-148.3 133.6 14.9 40.4 130.9 76 77 A W > - 0 0 3 4,-3.1 3,-2.3 -2,-0.3 96,-0.2 -0.249 42.4-103.8 -60.6 158.2 15.7 37.0 129.4 77 78 A S T 3 S+ 0 0 37 94,-1.9 -1,-0.1 1,-0.3 95,-0.1 0.613 121.0 60.8 -65.4 -10.9 12.8 35.0 128.1 78 79 A D T 3 S- 0 0 76 2,-0.2 -1,-0.3 93,-0.1 -2,-0.1 0.416 123.6-101.6 -93.4 1.8 12.9 32.8 131.2 79 80 A G S < S+ 0 0 33 -3,-2.3 -2,-0.1 1,-0.3 0, 0.0 0.217 79.3 133.2 101.4 -11.8 12.3 35.8 133.5 80 81 A V - 0 0 55 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.566 62.4-110.3 -76.8 128.0 15.8 36.4 134.7 81 82 A P B -L 75 0D 51 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.217 25.3-119.3 -49.9 138.8 16.9 40.0 134.5 82 83 A I - 0 0 0 -8,-2.5 2,-0.2 -11,-0.2 -8,-0.1 -0.785 47.9-178.7 -77.5 124.5 19.5 40.9 131.9 83 84 A T >> - 0 0 25 -2,-0.6 3,-1.4 1,-0.1 4,-0.9 -0.736 45.0-100.5-126.5 171.4 22.4 42.2 134.0 84 85 A A H >> S+ 0 0 0 33,-2.7 4,-2.3 32,-0.3 3,-0.7 0.863 118.7 65.0 -60.3 -34.4 25.9 43.6 133.6 85 86 A D H 3> S+ 0 0 83 32,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.805 96.2 58.6 -56.3 -31.3 27.3 40.2 134.5 86 87 A D H <> S+ 0 0 6 -3,-1.4 4,-1.8 2,-0.2 58,-1.6 0.829 106.5 46.9 -68.8 -34.2 25.7 38.9 131.3 87 88 A F H S+ 0 0 6 -4,-1.9 4,-1.9 -5,-0.2 5,-0.7 0.926 112.0 47.9 -59.9 -43.9 34.5 34.6 123.7 95 96 A K H <5S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 114.4 46.2 -61.0 -45.7 38.0 35.3 124.8 96 97 A E H <5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.8 39.5 -62.9 -45.8 38.3 32.0 126.6 97 98 A L H <5S- 0 0 28 -4,-2.9 -1,-0.2 2,-0.3 -2,-0.2 0.698 98.3-130.4 -82.8 -21.1 36.9 29.9 123.8 98 99 A G T <5S+ 0 0 35 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.671 84.5 66.7 77.0 17.1 38.6 31.7 120.9 99 100 A I < + 0 0 24 -5,-0.7 -2,-0.3 -6,-0.3 -1,-0.2 -0.970 63.0 72.8-161.2 156.4 35.2 31.9 119.2 100 101 A G S > S- 0 0 21 -2,-0.3 3,-0.7 -75,-0.1 -76,-0.2 -0.570 80.9 -25.2 120.4 176.4 31.9 33.5 119.8 101 102 A P T 3 S+ 0 0 20 0, 0.0 -7,-0.2 0, 0.0 -2,-0.1 -0.274 119.2 25.8 -64.6 141.6 30.3 37.0 119.6 102 103 A G T > S- 0 0 30 1,-0.2 3,-1.9 -8,-0.1 -7,-0.0 0.739 79.7-173.0 81.5 24.9 32.5 40.1 119.9 103 104 A G T < + 0 0 23 -3,-0.7 -1,-0.2 1,-0.3 344,-0.1 -0.232 67.5 23.0 -54.3 133.5 35.7 38.4 118.7 104 105 A G T >> S+ 0 0 16 342,-0.1 3,-2.0 -10,-0.0 4,-0.7 0.345 80.5 126.6 93.2 -4.4 38.8 40.6 119.1 105 106 A W H X> + 0 0 6 -3,-1.9 4,-2.0 1,-0.3 3,-1.1 0.858 66.2 61.1 -52.3 -40.0 37.3 42.8 121.8 106 107 A D H 34 S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.515 93.3 66.3 -73.8 -4.3 40.2 42.2 124.2 107 108 A T H <4 S+ 0 0 19 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.840 119.3 18.5 -79.5 -35.6 42.6 43.8 121.7 108 109 A Y H << S+ 0 0 1 -3,-1.1 17,-2.3 -4,-0.7 2,-0.5 0.491 116.7 71.8-117.1 -5.6 41.1 47.3 122.0 109 110 A I E < -K 124 0C 2 -4,-2.0 15,-0.3 15,-0.3 3,-0.1 -0.962 58.0-162.7-114.7 122.2 39.2 47.0 125.3 110 111 A E E S- 0 0 96 13,-2.5 2,-0.3 -2,-0.5 14,-0.2 0.922 72.5 -21.0 -67.4 -46.4 41.2 46.9 128.5 111 112 A Y E -K 123 0C 62 12,-1.0 12,-2.1 2,-0.0 2,-0.4 -0.990 45.3-144.6-156.2 160.9 38.3 45.5 130.5 112 113 A V E -K 122 0C 6 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.997 34.0-179.9-126.0 130.4 34.6 45.1 130.7 113 114 A K E -K 121 0C 103 8,-2.5 8,-3.1 -2,-0.4 2,-1.0 -0.982 35.1-126.9-139.6 140.2 33.2 45.3 134.3 114 115 A A E +K 120 0C 37 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.761 30.4 172.3 -84.6 102.9 29.9 45.1 136.1 115 116 A V E S- 0 0 45 4,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.705 71.1 -4.0 -88.2 -19.2 29.9 48.3 138.1 116 117 A D E > S-K 119 0C 107 3,-1.6 3,-1.7 -3,-0.1 -32,-0.3 -0.947 89.1 -85.6-157.4 172.6 26.4 47.8 139.3 117 118 A T T 3 S+ 0 0 92 -2,-0.3 -33,-2.7 1,-0.3 -32,-0.3 0.866 129.2 21.9 -50.6 -42.9 23.6 45.3 138.6 118 119 A K T 3 S+ 0 0 41 -35,-0.2 -48,-2.9 -34,-0.1 2,-0.5 0.066 111.0 85.8-115.0 23.0 22.4 47.1 135.5 119 120 A V E < -JK 69 116C 19 -3,-1.7 -4,-1.7 -50,-0.2 -3,-1.6 -0.966 51.2-172.3-131.9 119.4 25.6 49.1 134.7 120 121 A V E -JK 68 114C 0 -52,-2.4 -52,-2.7 -2,-0.5 2,-0.5 -0.925 9.9-153.2-113.0 135.3 28.5 47.8 132.6 121 122 A E E -JK 67 113C 14 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.4 -0.908 5.8-165.9-111.8 129.7 31.7 49.7 132.2 122 123 A F E -JK 66 112C 1 -56,-3.0 -56,-2.9 -2,-0.5 2,-0.5 -0.950 3.8-162.5-113.4 133.0 34.0 49.4 129.2 123 124 A K E -JK 65 111C 57 -12,-2.1 -13,-2.5 -2,-0.4 -12,-1.0 -0.964 17.7-128.4-117.9 128.0 37.6 50.8 129.3 124 125 A A E - 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0 0 1 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.568 35.8-171.1 -76.9 100.8 22.7 34.4 129.5 146 147 A K H 3> S+ 0 0 81 -2,-1.2 4,-2.4 1,-0.3 5,-0.3 0.882 83.8 55.6 -55.4 -42.4 25.3 33.6 132.1 147 148 A H H 34 S+ 0 0 65 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.780 112.1 44.4 -67.6 -26.0 22.9 31.5 134.2 148 149 A V H <> S+ 0 0 21 -3,-0.9 4,-2.1 2,-0.1 3,-0.3 0.928 114.3 46.5 -78.0 -51.4 22.2 29.3 131.1 149 150 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.821 108.2 54.3 -66.0 -33.9 25.7 28.9 129.9 150 151 A E H X S+ 0 0 74 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.835 109.1 52.1 -68.4 -31.0 27.3 28.0 133.2 151 152 A R H >> S+ 0 0 157 -4,-0.5 3,-0.7 -5,-0.3 4,-0.6 0.945 110.0 46.0 -65.5 -51.0 24.6 25.3 133.4 152 153 A I H >X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 3,-1.4 0.903 107.5 58.8 -58.4 -42.6 25.5 23.9 130.0 153 154 A R H 3< S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 102.3 52.9 -62.3 -28.0 29.2 24.0 130.8 154 155 A A H << S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.666 116.5 41.3 -78.0 -16.8 28.7 21.7 133.8 155 156 A Q H << S- 0 0 126 -3,-1.4 2,-0.3 -4,-0.6 -2,-0.2 0.733 128.4 -22.9-101.2 -30.0 26.9 19.3 131.5 156 157 A M S < S- 0 0 75 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.3 -0.949 83.3 -59.0-166.1 175.4 29.1 19.3 128.4 157 158 A N >> - 0 0 89 -2,-0.3 3,-1.9 1,-0.1 4,-0.6 -0.662 46.3-136.3 -71.6 125.5 31.6 21.3 126.3 158 159 A I G >4 S+ 0 0 8 -2,-0.4 3,-1.2 1,-0.3 -134,-0.2 0.849 102.4 61.7 -55.5 -35.5 29.8 24.6 125.4 159 160 A K G 34 S+ 0 0 74 1,-0.3 -1,-0.3 -134,-0.1 -137,-0.1 0.751 103.8 50.2 -63.8 -22.1 31.1 24.3 121.8 160 161 A D G <4 S+ 0 0 109 -3,-1.9 -1,-0.3 -135,-0.1 2,-0.2 0.547 83.6 113.1 -91.7 -10.0 29.1 21.0 121.4 161 162 A W << - 0 0 28 -3,-1.2 -140,-0.1 -4,-0.6 -137,-0.1 -0.466 45.3-169.7 -70.6 130.8 25.8 22.4 122.7 162 163 A I - 0 0 62 -2,-0.2 -141,-2.5 -142,-0.1 -1,-0.1 0.776 12.6-155.4 -91.3 -30.9 23.1 22.6 120.1 163 164 A N + 0 0 6 -143,-0.2 -2,-0.1 1,-0.1 -143,-0.0 0.901 44.7 139.2 53.8 46.6 20.5 24.7 122.1 164 165 A D + 0 0 50 -144,-0.0 -1,-0.1 5,-0.0 16,-0.1 0.182 27.1 106.4-109.7 16.6 17.7 23.3 120.0 165 166 A K >> - 0 0 113 1,-0.2 4,-1.4 14,-0.0 3,-0.5 -0.854 56.1-157.1 -98.0 107.8 15.0 22.7 122.6 166 167 A P T 34 S+ 0 0 46 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.861 91.3 48.8 -53.3 -45.2 12.3 25.4 122.1 167 168 A E T 34 S+ 0 0 123 1,-0.2 -2,-0.0 11,-0.1 11,-0.0 0.868 115.3 45.1 -62.4 -37.1 11.0 25.2 125.7 168 169 A E T <4 S+ 0 0 120 -3,-0.5 -1,-0.2 2,-0.1 2,-0.1 0.632 85.3 115.4 -84.1 -15.0 14.5 25.5 127.1 169 170 A Q < - 0 0 2 -4,-1.4 2,-0.6 -3,-0.4 -5,-0.0 -0.359 49.2-160.5 -63.9 129.1 15.7 28.3 124.8 170 171 A V + 0 0 12 -2,-0.1 2,-0.3 -93,-0.1 -1,-0.1 -0.945 21.0 169.5-114.1 114.3 16.6 31.5 126.7 171 172 A V - 0 0 2 -2,-0.6 -94,-1.9 2,-0.1 -134,-0.2 -0.825 40.5-154.5-128.4 159.1 16.6 34.6 124.5 172 173 A S S S+ 0 0 0 -136,-2.0 -135,-0.2 -2,-0.3 -97,-0.1 0.521 78.0 77.7-105.2 -13.0 16.8 38.4 124.7 173 174 A G S S- 0 0 0 -137,-2.4 21,-0.2 2,-0.3 -137,-0.1 -0.275 94.0-101.8 -89.4-179.4 15.1 39.0 121.3 174 175 A P S S+ 0 0 2 0, 0.0 16,-3.0 0, 0.0 2,-0.3 0.405 99.0 54.4 -87.6 3.6 11.4 38.8 120.3 175 176 A Y E +C 189 0A 1 -140,-1.0 2,-0.3 14,-0.3 -2,-0.3 -0.963 55.5 178.9-131.7 152.5 11.7 35.3 118.7 176 177 A K E -C 188 0A 44 12,-1.8 12,-2.8 -2,-0.3 -144,-0.0 -0.938 46.1 -71.5-140.1 168.3 12.9 31.8 119.6 177 178 A L E +C 187 0A 3 -2,-0.3 10,-0.3 10,-0.2 -8,-0.1 -0.294 44.0 171.8 -59.7 138.6 13.0 28.5 117.9 178 179 A Y E - 0 0 101 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.719 61.6 -20.2-112.7 -47.1 9.6 26.8 117.4 179 180 A Y E -C 186 0A 120 7,-1.7 7,-2.9 -13,-0.1 -1,-0.4 -0.978 55.8-179.3-163.6 145.6 10.3 23.8 115.1 180 181 A Y E +C 185 0A 77 -2,-0.3 5,-0.2 5,-0.2 -16,-0.0 -0.992 7.5 161.3-150.6 152.7 12.9 22.5 112.7 181 182 A D E > -C 184 0A 46 3,-2.3 3,-1.5 -2,-0.3 -163,-0.3 -0.884 62.6 -73.5-148.1-177.9 13.6 19.5 110.5 182 183 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -166,-0.0 0.641 131.9 40.3 -57.6 -10.0 15.8 18.8 107.5 183 184 A N T 3 S+ 0 0 109 1,-0.2 28,-2.3 27,-0.1 2,-0.3 0.444 118.3 23.9-119.4 -0.9 13.5 20.9 105.3 184 185 A I E < -CD 181 210A 28 -3,-1.5 -3,-2.3 26,-0.3 2,-0.4 -0.986 46.4-156.1-163.2 148.8 12.5 23.9 107.5 185 186 A V E -CD 180 209A 0 24,-1.6 24,-2.6 -2,-0.3 2,-0.4 -1.000 22.0-171.6-125.5 129.7 13.4 26.2 110.4 186 187 A V E -CD 179 208A 4 -7,-2.9 -8,-3.1 -2,-0.4 -7,-1.7 -0.983 7.8-164.8-127.3 132.5 10.6 28.0 112.2 187 188 A Y E -CD 177 207A 0 20,-3.1 20,-2.2 -2,-0.4 2,-0.4 -0.875 9.1-151.3-109.4 147.1 10.7 30.7 114.8 188 189 A Q E -CD 176 206A 52 -12,-2.8 -12,-1.8 -2,-0.3 18,-0.2 -0.957 24.3-106.6-120.2 138.9 7.8 31.8 117.0 189 190 A R E -C 175 0A 45 16,-2.9 2,-0.9 -2,-0.4 -14,-0.3 -0.277 23.6-129.2 -57.9 140.3 7.2 35.3 118.5 190 191 A V > - 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0 0 0 4,-0.5 3,-2.1 -2,-0.1 30,-0.1 -0.622 25.0-125.4 -74.5 140.7 37.9 49.5 94.1 307 308 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.685 106.0 72.4 -67.0 -15.4 41.1 47.7 95.0 308 309 A S T 3 S- 0 0 0 2,-0.2 3,-0.1 1,-0.1 187,-0.1 0.609 105.7-126.2 -66.8 -13.2 41.5 50.0 98.1 309 310 A M < + 0 0 1 -3,-2.1 2,-0.3 1,-0.3 -1,-0.1 0.370 69.6 131.0 75.9 -3.0 38.6 48.0 99.7 310 311 A V - 0 0 0 1,-0.1 2,-1.3 124,-0.1 -4,-0.5 -0.652 65.5-123.7 -81.5 135.4 36.9 51.4 100.3 311 312 A I > - 0 0 2 -2,-0.3 3,-1.3 1,-0.2 6,-0.2 -0.645 28.9-176.9 -82.0 94.0 33.3 51.5 99.1 312 313 A D T 3 + 0 0 18 -2,-1.3 -1,-0.2 1,-0.3 6,-0.1 0.302 63.2 93.4 -81.0 12.8 33.4 54.4 96.7 313 314 A L T 3 S+ 0 0 79 1,-0.1 2,-0.5 4,-0.0 -1,-0.3 0.648 82.5 63.5 -70.0 -17.8 29.6 54.2 96.0 314 315 A F S X> S- 0 0 62 -3,-1.3 3,-1.8 1,-0.1 4,-0.6 -0.954 80.1-144.4-116.0 122.8 29.3 56.7 98.8 315 316 A E G >4 S+ 0 0 136 -2,-0.5 3,-1.4 1,-0.3 4,-0.4 0.847 95.4 60.5 -53.2 -44.5 30.9 60.2 98.3 316 317 A P G 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.667 101.5 56.1 -61.5 -15.9 32.0 60.7 102.0 317 318 A Y G X4 S+ 0 0 33 -3,-1.8 3,-2.1 -6,-0.2 -2,-0.2 0.675 85.1 80.1 -88.0 -19.0 34.2 57.6 101.7 318 319 A K G X< S+ 0 0 71 -3,-1.4 3,-2.1 -4,-0.6 5,-0.2 0.792 78.9 69.4 -61.3 -28.9 36.2 58.8 98.7 319 320 A Q G 3 S+ 0 0 110 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.659 94.6 58.8 -61.4 -15.8 38.4 61.0 100.9 320 321 A Y G < S+ 0 0 25 -3,-2.1 2,-0.5 168,-0.1 -1,-0.3 0.392 89.2 88.3 -96.7 2.3 39.9 57.8 102.3 321 322 A I S < S- 0 0 7 -3,-2.1 2,-1.5 -4,-0.1 3,-0.2 -0.885 70.7-142.3-104.5 127.8 41.1 56.5 98.9 322 323 A D > + 0 0 34 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.686 27.3 176.7 -83.0 87.1 44.5 57.4 97.6 323 324 A Y H > S+ 0 0 61 -2,-1.5 4,-2.9 1,-0.2 5,-0.2 0.845 73.7 56.3 -65.3 -35.4 43.3 57.7 94.0 324 325 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 108.5 48.2 -63.7 -41.0 46.7 58.8 92.7 325 326 A L H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.930 114.3 45.4 -62.4 -47.3 48.3 55.7 94.1 326 327 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 6,-0.3 0.904 114.1 48.3 -65.3 -42.8 45.7 53.4 92.6 327 328 A K H X S+ 0 0 70 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.914 114.0 46.8 -62.7 -44.8 45.7 55.2 89.2 328 329 A K H < S+ 0 0 128 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 116.6 44.9 -62.3 -43.0 49.5 55.0 89.1 329 330 A T H < S+ 0 0 55 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.899 126.7 25.0 -70.6 -43.6 49.5 51.3 90.1 330 331 A F H < S- 0 0 15 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.546 92.8-131.9-108.0 -9.8 46.8 50.0 87.9 331 332 A G < + 0 0 68 -4,-2.1 2,-0.2 -5,-0.3 -4,-0.1 0.672 62.7 123.2 72.4 19.7 46.8 52.5 85.0 332 333 A T S S- 0 0 36 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.644 75.4-104.5-110.4 169.7 43.1 53.1 84.9 333 334 A E S S+ 0 0 119 1,-0.2 -6,-0.1 -2,-0.2 -1,-0.1 0.859 119.2 18.5 -62.8 -38.2 41.0 56.2 85.2 334 335 A D S S- 0 0 59 2,-0.1 -1,-0.2 -8,-0.1 -7,-0.2 0.409 114.1-101.2-114.0 -1.5 39.9 55.6 88.8 335 336 A G + 0 0 0 1,-0.3 2,-0.2 -9,-0.2 -2,-0.1 0.573 69.4 148.5 91.4 9.9 42.5 53.0 89.8 336 337 A R - 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