==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUN-12 4FQ8 . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.CHENG,T.J.CHEN,W.C.WANG . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.8 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 . 2 0.4 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 0.4 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 0 2 3 5 0 2 2 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 6 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 M 0 0 174 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 116.1 -8.8 18.0 30.3 2 2 A K - 0 0 150 32,-0.2 34,-3.1 1,-0.0 2,-0.5 -0.561 360.0-154.2 -67.0 131.8 -6.3 19.0 33.0 3 3 A L E -a 36 0A 104 -2,-0.3 2,-0.4 32,-0.2 34,-0.2 -0.942 12.7-172.8-114.7 126.1 -2.7 18.1 32.0 4 4 A K E -a 37 0A 75 32,-2.4 34,-1.8 -2,-0.5 2,-0.3 -0.981 17.0-137.9-116.1 140.5 0.2 17.3 34.3 5 5 A S E +a 38 0A 32 53,-0.4 55,-3.3 -2,-0.4 56,-1.2 -0.719 26.2 165.3 -96.2 139.5 3.8 16.8 33.1 6 6 A F E +ab 39 61A 3 32,-2.7 34,-1.8 -2,-0.3 2,-0.3 -0.895 1.6 158.2-141.2 163.1 6.2 14.1 34.3 7 7 A G E -ab 40 62A 0 54,-0.9 56,-2.8 -2,-0.3 2,-0.4 -0.982 35.9-108.4-168.9-178.6 9.5 12.6 33.3 8 8 A V E -ab 41 63A 4 32,-1.5 34,-2.9 -2,-0.3 2,-0.5 -1.000 26.8-148.8-122.7 127.4 12.6 10.7 34.1 9 9 A F E +ab 42 64A 0 54,-2.7 56,-2.9 -2,-0.4 2,-0.3 -0.857 37.0 130.3 -93.7 131.2 16.0 12.5 34.2 10 10 A G E -a 43 0A 0 32,-2.0 34,-1.7 -2,-0.5 3,-0.2 -0.976 49.8-118.1-164.2 176.8 19.0 10.5 33.3 11 11 A N S S+ 0 0 50 55,-1.8 2,-0.2 1,-0.7 32,-0.0 -0.630 110.2 25.1-167.2 94.4 22.2 10.3 31.2 12 12 A P S S+ 0 0 69 0, 0.0 -1,-0.7 0, 0.0 53,-0.0 0.519 87.7 144.6 -76.0 174.4 22.0 8.0 29.4 13 13 A I > + 0 0 10 -3,-0.2 3,-2.0 -2,-0.2 -2,-0.1 0.509 33.1 97.5-155.1 -19.8 18.2 7.7 29.2 14 14 A K T 3 S+ 0 0 192 1,-0.3 29,-0.0 27,-0.1 -3,-0.0 0.742 86.1 58.5 -61.3 -20.8 16.7 6.5 25.9 15 15 A H T 3 S+ 0 0 116 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.350 77.6 124.8 -87.8 -0.6 16.5 2.8 27.1 16 16 A S < - 0 0 29 -3,-2.0 4,-0.2 1,-0.1 -3,-0.1 -0.436 46.2-162.4 -69.0 141.3 14.3 3.6 30.1 17 17 A K > + 0 0 92 1,-0.1 4,-1.6 2,-0.1 5,-0.2 0.370 68.4 95.7-101.7 4.1 11.0 1.7 30.4 18 18 A S H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.906 77.9 56.2 -57.4 -47.3 9.4 4.2 33.0 19 19 A P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.937 108.0 50.0 -57.2 -43.6 7.5 6.3 30.4 20 20 A L H > S+ 0 0 87 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.903 116.9 38.0 -54.2 -53.5 5.7 3.1 29.1 21 21 A I H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.872 119.0 46.7 -77.0 -36.3 4.6 1.9 32.5 22 22 A H H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.877 111.8 50.4 -69.2 -41.9 3.8 5.3 34.1 23 23 A N H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.4 5,-0.2 0.903 106.6 56.0 -65.6 -34.4 1.8 6.5 31.0 24 24 A A H X S+ 0 0 16 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.927 110.9 44.6 -59.5 -46.1 -0.1 3.2 31.2 25 25 A C H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.889 109.5 54.1 -61.9 -42.3 -1.1 4.1 34.8 26 26 A F H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.975 112.5 45.9 -58.7 -46.3 -1.9 7.7 34.0 27 27 A L H < S+ 0 0 107 -4,-2.4 3,-0.5 1,-0.2 4,-0.2 0.899 115.6 45.6 -55.7 -49.6 -4.3 6.5 31.2 28 28 A T H < S+ 0 0 62 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.830 121.9 35.0 -66.9 -37.2 -5.9 3.9 33.5 29 29 A F H X S+ 0 0 26 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.326 78.5 114.8-105.0 8.4 -6.3 6.1 36.5 30 30 A Q H X>S+ 0 0 56 -4,-0.9 4,-1.5 -3,-0.5 5,-0.8 0.834 78.3 51.7 -53.5 -35.7 -7.1 9.4 34.8 31 31 A K H 45S+ 0 0 127 -3,-0.3 -1,-0.2 -4,-0.2 3,-0.2 0.940 111.2 44.9 -66.2 -48.3 -10.7 9.4 36.3 32 32 A E H 45S+ 0 0 110 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 118.9 45.0 -60.3 -34.3 -9.6 8.8 39.9 33 33 A L H <5S- 0 0 8 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.675 95.7-140.0 -86.3 -24.5 -6.9 11.4 39.5 34 34 A R T <5S+ 0 0 215 -4,-1.5 2,-0.3 -5,-0.3 -32,-0.2 0.737 75.4 67.9 61.1 27.1 -8.9 14.1 37.8 35 35 A F S - 0 0 45 0, 0.0 3,-1.9 0, 0.0 -34,-0.0 -0.467 22.2-120.2 -64.0 142.9 23.3 17.2 30.4 46 46 A L T 3 S+ 0 0 89 1,-0.3 -35,-0.0 -2,-0.1 -2,-0.0 0.822 113.8 49.8 -50.3 -34.9 25.8 16.3 33.2 47 47 A E T 3 S+ 0 0 166 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.406 94.1 92.0 -92.6 -1.7 26.4 20.1 33.7 48 48 A S S < S- 0 0 36 -3,-1.9 2,-0.5 1,-0.0 -4,-0.1 -0.272 79.7-112.1 -81.5-178.4 22.8 21.1 33.9 49 49 A H > - 0 0 82 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.974 9.8-147.7-124.1 120.8 20.9 21.3 37.2 50 50 A I H > S+ 0 0 2 -2,-0.5 4,-2.7 2,-0.2 -1,-0.1 0.871 100.5 45.3 -54.5 -47.0 18.1 18.8 38.1 51 51 A K H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.967 113.6 48.9 -62.3 -52.5 16.1 21.4 40.1 52 52 A S H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 114.8 45.9 -52.7 -43.5 16.5 24.2 37.5 53 53 A E H X S+ 0 0 47 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.969 109.1 54.6 -69.6 -45.5 15.4 21.8 34.7 54 54 A F H X>S+ 0 0 1 -4,-2.7 5,-1.6 1,-0.2 4,-0.7 0.928 114.9 40.2 -50.5 -52.9 12.4 20.5 36.8 55 55 A L H ><5S+ 0 0 91 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.892 112.6 55.2 -64.5 -41.5 11.1 24.0 37.2 56 56 A H H 3<5S+ 0 0 146 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.872 111.1 44.7 -60.8 -39.3 11.9 25.1 33.7 57 57 A L H 3<5S- 0 0 77 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.555 106.0-128.4 -79.7 -14.8 9.9 22.2 32.2 58 58 A G T <<5 + 0 0 51 -3,-0.8 -53,-0.4 -4,-0.7 -3,-0.2 0.757 43.6 174.3 72.1 30.5 6.9 22.8 34.6 59 59 A L < - 0 0 8 -5,-1.6 -53,-0.2 1,-0.1 -1,-0.2 -0.275 35.9-153.2 -69.8 151.3 6.8 19.2 35.8 60 60 A S S S- 0 0 27 -55,-3.3 34,-2.4 1,-0.4 2,-0.3 0.657 81.5 -16.5 -91.0 -20.0 4.5 18.0 38.5 61 61 A G E -bC 6 93A 0 -56,-1.2 -54,-0.9 32,-0.2 -1,-0.4 -0.981 62.0-165.2-171.0 167.5 7.0 15.2 39.3 62 62 A A E -bC 7 92A 0 30,-2.1 30,-3.6 -2,-0.3 2,-0.3 -0.988 18.6-128.4-152.3 152.2 9.9 13.2 37.9 63 63 A N E -bC 8 91A 4 -56,-2.8 -54,-2.7 -2,-0.3 2,-0.4 -0.759 24.0-148.1 -92.0 165.1 12.0 10.2 38.4 64 64 A V E +b 9 0A 4 26,-2.2 -54,-0.2 -2,-0.3 2,-0.2 -0.998 18.7 173.8-138.0 121.6 15.7 10.4 38.6 65 65 A T > - 0 0 41 -56,-2.9 3,-2.5 -2,-0.4 4,-0.2 -0.460 37.6 -4.3-109.3-173.2 18.2 7.8 37.4 66 66 A L T 3 S+ 0 0 56 1,-0.3 -55,-1.8 2,-0.2 -1,-0.2 -0.306 120.7 11.0 -46.2 138.5 22.1 7.4 37.0 67 67 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.759 122.3 61.9 -97.9 38.9 24.2 9.5 37.5 68 68 A F <> + 0 0 0 -3,-2.5 4,-2.5 -59,-0.2 -2,-0.2 0.378 66.4 95.5-109.1 -6.4 21.8 12.0 39.3 69 69 A K H > S+ 0 0 14 2,-0.2 20,-2.4 1,-0.2 4,-1.7 0.896 91.2 42.6 -63.2 -42.6 20.4 10.3 42.4 70 70 A E H > S+ 0 0 68 18,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.944 115.2 51.2 -65.4 -45.9 22.9 11.8 45.0 71 71 A R H >> S+ 0 0 76 -4,-0.3 4,-2.0 1,-0.2 3,-0.6 0.910 106.0 54.7 -55.7 -45.0 22.7 15.2 43.3 72 72 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.920 106.6 51.9 -57.7 -44.0 18.9 15.1 43.5 73 73 A F H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 111.5 47.6 -53.9 -35.4 19.2 14.5 47.3 74 74 A Q H << S+ 0 0 143 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.825 117.5 39.9 -80.9 -30.4 21.6 17.6 47.5 75 75 A V H < S+ 0 0 34 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.648 86.4 109.3-101.5 -19.2 19.4 20.0 45.5 76 76 A C < - 0 0 15 -4,-1.9 24,-0.2 -5,-0.2 3,-0.1 -0.169 65.3-135.1 -52.1 155.1 15.9 19.1 46.6 77 77 A D S S+ 0 0 70 22,-2.4 2,-0.3 1,-0.3 23,-0.2 0.808 88.8 7.8 -79.1 -41.4 13.9 21.6 48.8 78 78 A K E -d 100 0A 82 21,-1.8 23,-3.2 2,-0.0 2,-0.4 -0.990 66.1-150.0-141.4 146.3 12.7 19.0 51.1 79 79 A I E -d 101 0A 37 -2,-0.3 2,-0.3 21,-0.2 23,-0.2 -0.978 20.6-174.9-117.0 127.6 13.5 15.3 51.5 80 80 A K > - 0 0 75 21,-2.6 3,-0.8 -2,-0.4 23,-0.3 -0.910 40.6 -1.2-122.2 155.2 10.8 12.9 52.9 81 81 A G T > S- 0 0 54 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 -0.271 119.2 -17.9 73.0-154.2 10.6 9.3 53.9 82 82 A I T >> S+ 0 0 49 1,-0.3 3,-1.2 21,-0.2 4,-0.9 0.741 117.5 84.9 -68.5 -16.2 13.4 6.7 53.7 83 83 A A H <>>S+ 0 0 0 -3,-0.8 4,-1.2 1,-0.3 5,-0.7 0.802 78.8 67.7 -49.4 -37.9 15.3 9.1 51.3 84 84 A L H <45S+ 0 0 110 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.911 108.2 35.0 -50.0 -46.6 16.6 10.8 54.4 85 85 A E H <45S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.528 111.8 62.4 -90.0 -7.7 18.7 7.8 55.3 86 86 A C H <5S- 0 0 0 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.632 88.4-141.4 -87.9 -20.7 19.5 6.7 51.6 87 87 A G T <5S+ 0 0 9 -4,-1.2 2,-0.3 -3,-0.3 -14,-0.2 0.779 74.8 90.1 62.5 26.1 21.5 9.9 50.7 88 88 A A < - 0 0 0 -5,-0.7 2,-0.4 -15,-0.1 -18,-0.2 -0.988 61.0-156.5-155.1 142.2 19.7 9.5 47.3 89 89 A V + 0 0 0 -20,-2.4 14,-0.2 -2,-0.3 -17,-0.2 -0.979 18.3 164.9-126.3 125.8 16.5 10.7 45.7 90 90 A N + 0 0 2 12,-1.7 -26,-2.2 -2,-0.4 2,-0.4 0.436 68.5 55.8-111.7 -0.2 14.9 8.8 42.7 91 91 A T E -CE 63 102A 0 11,-1.9 11,-2.8 -28,-0.3 2,-0.4 -0.991 61.7-170.2-142.0 122.7 11.5 10.5 42.9 92 92 A L E -CE 62 101A 0 -30,-3.6 -30,-2.1 -2,-0.4 2,-0.4 -0.922 4.6-178.0-117.0 137.7 10.6 14.2 42.7 93 93 A V E -CE 61 100A 12 7,-2.3 7,-3.0 -2,-0.4 2,-0.9 -0.999 27.1-132.4-137.6 137.0 7.3 15.8 43.4 94 94 A L E + E 0 99A 58 -34,-2.4 2,-0.5 -2,-0.4 5,-0.2 -0.781 36.8 172.7 -80.7 105.9 6.2 19.4 43.2 95 95 A E E > - E 0 98A 50 3,-2.7 3,-2.4 -2,-0.9 -2,-0.1 -0.980 67.0 -19.0-121.9 121.4 4.3 19.9 46.5 96 96 A N T 3 S- 0 0 161 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.938 127.1 -55.4 49.8 48.4 3.0 23.4 47.6 97 97 A D T 3 S+ 0 0 146 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.537 116.3 118.1 58.9 15.6 5.5 24.9 45.1 98 98 A E E < - E 0 95A 76 -3,-2.4 -3,-2.7 -21,-0.0 2,-0.9 -0.876 68.9-124.2-111.1 141.5 8.4 23.0 46.8 99 99 A L E - E 0 94A 1 -2,-0.4 -22,-2.4 -5,-0.2 -21,-1.8 -0.714 35.7-169.1 -85.4 108.9 10.6 20.4 45.2 100 100 A V E -dE 78 93A 1 -7,-3.0 -7,-2.3 -2,-0.9 2,-0.3 -0.884 7.6-148.4-107.8 129.9 10.3 17.4 47.4 101 101 A G E +dE 79 92A 0 -23,-3.2 -21,-2.6 -2,-0.5 2,-0.3 -0.736 18.0 171.6 -99.5 142.8 12.5 14.3 47.1 102 102 A Y E - E 0 91A 21 -11,-2.8 -11,-1.9 -2,-0.3 -12,-1.7 -0.893 24.1-137.8-133.4 166.9 11.6 10.6 47.9 103 103 A N + 0 0 10 -23,-0.3 4,-0.3 -2,-0.3 -21,-0.2 -0.975 24.6 166.6-131.9 118.2 13.3 7.4 47.3 104 104 A T > + 0 0 5 -2,-0.5 4,-2.1 2,-0.1 5,-0.1 0.426 64.5 82.9-105.9 -1.2 11.4 4.4 46.1 105 105 A D H > S+ 0 0 6 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.895 84.9 57.5 -68.4 -41.7 14.4 2.3 45.2 106 106 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 115.8 33.1 -58.4 -50.4 14.9 1.0 48.8 107 107 A L H > S+ 0 0 69 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.876 114.7 59.2 -85.5 -28.5 11.5 -0.5 49.1 108 108 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.931 109.1 45.9 -55.9 -45.9 11.3 -1.5 45.5 109 109 A F H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.932 111.7 51.5 -64.6 -47.6 14.4 -3.6 46.0 110 110 A Y H >< S+ 0 0 103 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.954 110.2 48.4 -50.9 -54.6 13.0 -5.1 49.2 111 111 A L H 3< S+ 0 0 45 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 106.5 58.1 -62.0 -25.0 9.8 -6.1 47.4 112 112 A S H 3< S+ 0 0 8 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.666 86.9 90.2 -75.6 -17.5 11.7 -7.6 44.5 113 113 A L << - 0 0 21 -3,-1.5 -4,-0.0 -4,-0.8 0, 0.0 -0.704 53.4-174.1 -88.8 114.5 13.6 -10.0 46.9 114 114 A K + 0 0 130 -2,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.961 67.9 72.1 -70.8 -47.3 11.7 -13.4 47.3 115 115 A Q - 0 0 36 1,-0.1 3,-0.4 2,-0.0 -1,-0.1 -0.558 61.0-170.3 -81.2 123.1 14.0 -14.8 49.9 116 116 A K S S+ 0 0 132 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.704 71.3 56.2 -86.1 -27.7 13.6 -13.1 53.3 117 117 A N + 0 0 70 25,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.425 55.2 144.5-116.8 60.0 16.6 -14.6 55.2 118 118 A Y - 0 0 29 -3,-0.4 3,-0.1 -2,-0.2 55,-0.0 -0.672 37.5-151.8 -74.7 149.1 19.9 -14.0 53.4 119 119 A Q + 0 0 131 -2,-0.3 24,-1.9 1,-0.2 2,-0.3 0.778 65.6 9.3 -98.0 -37.6 22.6 -13.3 56.2 120 120 A N E -f 143 0B 31 22,-0.2 55,-2.0 2,-0.0 2,-0.3 -0.940 59.9-160.5-141.6 169.0 25.1 -11.1 54.4 121 121 A A E -fg 144 175B 0 22,-2.1 24,-2.9 -2,-0.3 2,-0.5 -0.997 11.1-149.2-149.5 143.6 25.5 -9.1 51.3 122 122 A L E -fg 145 176B 0 53,-2.8 55,-3.5 -2,-0.3 2,-0.5 -0.992 17.2-161.7-115.3 128.0 28.2 -7.5 49.2 123 123 A I E -fg 146 177B 0 22,-2.6 24,-2.4 -2,-0.5 2,-0.5 -0.916 3.4-157.3-110.1 124.8 27.3 -4.4 47.3 124 124 A L E +fg 147 178B 5 53,-3.0 55,-2.2 -2,-0.5 24,-0.2 -0.893 57.4 38.9 -97.7 122.9 29.5 -3.2 44.4 125 125 A G - 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0 0 9 -5,-1.8 -53,-0.2 -6,-0.2 -1,-0.1 -0.281 34.0-155.8 -67.7 150.1 7.2 -27.1 40.8 324 60 B S S S- 0 0 31 -55,-3.3 34,-2.8 1,-0.4 2,-0.3 0.717 78.9 -19.6 -91.3 -29.9 4.6 -28.2 43.4 325 61 B G E -lM 270 357C 0 -56,-0.9 -54,-0.7 32,-0.2 -1,-0.4 -0.970 62.7-169.7-161.9-178.9 7.0 -30.9 44.6 326 62 B A E -lM 271 356C 0 30,-2.2 30,-3.2 -2,-0.3 2,-0.3 -0.990 20.1-123.9-164.7 153.2 10.0 -32.9 43.6 327 63 B N E -lM 272 355C 3 -56,-2.5 -54,-2.7 -2,-0.3 2,-0.4 -0.757 23.5-149.2-100.8 166.5 12.2 -35.9 44.5 328 64 B V E -l 273 0C 2 26,-1.9 2,-0.2 -2,-0.3 -54,-0.2 -0.997 14.0-178.5-136.8 129.8 15.9 -35.6 45.0 329 65 B T > - 0 0 34 -56,-2.7 3,-2.5 -2,-0.4 4,-0.2 -0.593 40.1 -16.2-114.6-176.7 18.5 -38.2 44.3 330 66 B L T 3 S+ 0 0 34 1,-0.3 -55,-1.6 -2,-0.2 -1,-0.2 -0.319 119.7 17.5 -60.6 143.4 22.3 -38.3 44.8 331 67 B P T 3 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.772 121.5 57.7-103.6 40.1 24.3 -36.3 45.2 332 68 B F S <> S+ 0 0 0 -3,-2.5 4,-3.2 -59,-0.2 -2,-0.2 0.474 71.8 94.0-108.0 -5.8 21.7 -33.6 46.2 333 69 B K H > S+ 0 0 15 2,-0.2 20,-2.0 1,-0.2 4,-1.6 0.879 90.8 43.9 -59.9 -43.0 19.9 -35.2 49.2 334 70 B E H > S+ 0 0 75 18,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 115.5 48.5 -70.4 -42.8 22.2 -33.5 51.9 335 71 B R H > S+ 0 0 76 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.912 107.0 57.4 -60.8 -42.7 22.1 -30.1 50.1 336 72 B A H >X S+ 0 0 0 -4,-3.2 4,-1.2 17,-0.2 3,-0.5 0.908 106.4 49.7 -46.2 -53.8 18.2 -30.5 49.8 337 73 B F H >< S+ 0 0 66 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.930 106.8 55.6 -51.0 -54.6 18.1 -30.7 53.7 338 74 B Q H 3< S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.750 113.4 38.4 -50.9 -32.7 20.3 -27.6 54.1 339 75 B V H << S+ 0 0 42 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.531 81.1 112.2-112.4 -7.0 18.0 -25.3 52.0 340 76 B C << - 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