==== 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 26-JUN-12 4FR5 . 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) . 24902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.6 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 . 34 6.5 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 . 161 30.6 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 4 0 0 6 3 2 1 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 5 3 0 0 1 1 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 1 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 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 0 179 0, 0.0 2,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 81.6 31.5 26.4 30.6 2 2 A K - 0 0 121 32,-0.4 34,-2.6 1,-0.0 2,-0.3 -0.622 360.0-144.3 -69.3 124.1 28.7 24.8 32.6 3 3 A L E -a 36 0A 115 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.731 14.1-166.9 -90.2 143.9 25.4 26.2 31.3 4 4 A K E -a 37 0A 71 32,-2.0 34,-2.0 -2,-0.3 2,-0.4 -0.999 13.4-135.2-137.5 134.0 22.4 26.9 33.7 5 5 A S E +a 38 0A 28 53,-0.5 55,-3.2 -2,-0.4 56,-1.1 -0.714 26.3 167.2-100.7 134.7 18.9 27.5 32.6 6 6 A F E +ab 39 61A 3 32,-3.1 34,-1.6 -2,-0.4 2,-0.3 -0.848 3.2 158.9-132.5 168.9 16.5 30.2 33.9 7 7 A G E -ab 40 62A 0 54,-0.7 56,-2.7 -2,-0.3 2,-0.5 -0.991 36.6-108.8-172.9 175.9 13.2 31.8 33.0 8 8 A V E -ab 41 63A 4 32,-1.7 34,-2.5 -2,-0.3 2,-0.5 -0.981 26.5-151.5-119.6 116.4 10.1 33.7 33.8 9 9 A F E +ab 42 64A 0 54,-2.4 56,-2.6 -2,-0.5 2,-0.3 -0.759 36.4 137.8 -83.9 128.3 6.7 31.8 33.9 10 10 A G E -a 43 0A 0 32,-1.8 34,-2.0 -2,-0.5 3,-0.3 -0.973 48.2-123.2-158.5 176.5 3.8 34.0 33.0 11 11 A N S S+ 0 0 45 55,-1.5 2,-0.1 1,-0.9 32,-0.0 -0.658 111.6 22.9-168.0 92.9 0.5 34.1 31.1 12 12 A P S S+ 0 0 67 0, 0.0 -1,-0.9 0, 0.0 53,-0.0 0.600 93.7 148.2 -79.7 170.5 0.6 36.5 29.3 13 13 A I > + 0 0 6 -3,-0.3 3,-1.1 -2,-0.1 29,-0.1 0.593 32.0 88.8-145.1 -30.3 4.5 36.6 29.1 14 14 A K T 3 S+ 0 0 147 1,-0.3 29,-0.0 27,-0.1 -3,-0.0 0.307 78.1 69.6 -87.7 18.2 6.5 37.8 26.0 15 15 A H T 3 S+ 0 0 124 3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.224 73.8 136.0 -97.7 5.8 6.6 41.7 26.7 16 16 A S < - 0 0 28 -3,-1.1 4,-0.3 1,-0.2 -3,-0.0 -0.389 42.6-169.9 -69.7 126.7 9.0 40.8 29.5 17 17 A K S > S+ 0 0 103 -2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.467 71.7 91.0 -87.9 -0.6 12.1 43.0 29.8 18 18 A S H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.859 77.2 53.4 -65.2 -46.9 13.4 40.5 32.4 19 19 A P H > S+ 0 0 16 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.935 108.4 52.9 -59.8 -41.8 15.3 38.1 30.1 20 20 A L H > S+ 0 0 88 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.917 114.2 40.5 -54.8 -45.3 17.3 41.1 28.6 21 21 A I H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.828 118.1 46.6 -80.7 -28.6 18.4 42.4 32.1 22 22 A H H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 3,-0.2 0.939 112.5 47.8 -75.2 -48.3 19.1 39.0 33.5 23 23 A N H X S+ 0 0 45 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.886 107.8 58.8 -61.7 -33.7 21.1 37.7 30.5 24 24 A A H X S+ 0 0 16 -4,-1.7 4,-1.9 -5,-0.4 -1,-0.2 0.936 112.0 40.0 -55.4 -45.2 23.0 41.0 30.6 25 25 A C H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.2 -2,-0.2 0.773 111.4 54.6 -76.8 -36.5 24.0 40.0 34.2 26 26 A F H < S+ 0 0 0 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.953 112.5 45.9 -59.7 -44.1 24.6 36.4 33.4 27 27 A L H >< S+ 0 0 116 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.928 114.1 49.5 -58.9 -47.8 27.0 37.6 30.6 28 28 A T H 3< S+ 0 0 80 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.853 118.0 34.8 -63.8 -40.3 28.7 40.1 33.0 29 29 A F T 3X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.047 75.1 122.6-110.6 23.5 29.4 37.9 36.0 30 30 A Q H <>>S+ 0 0 60 -3,-0.9 4,-2.3 1,-0.2 5,-0.8 0.914 77.3 48.5 -50.8 -42.9 30.1 34.6 34.2 31 31 A K H 45S+ 0 0 186 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.900 111.4 46.2 -73.4 -42.8 33.6 34.4 35.9 32 32 A E H 45S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.880 118.5 44.9 -59.0 -35.5 32.5 35.1 39.4 33 33 A L H <5S- 0 0 5 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.788 94.8-140.5 -88.0 -30.5 29.7 32.6 39.0 34 34 A R T <5S+ 0 0 213 -4,-2.3 -32,-0.4 -5,-0.2 2,-0.3 0.667 75.4 68.2 72.2 20.6 31.6 29.8 37.3 35 35 A F S - 0 0 47 0, 0.0 3,-2.3 0, 0.0 -34,-0.0 -0.379 21.3-122.5 -56.9 140.2 -0.7 27.3 30.4 46 46 A L T 3 S+ 0 0 91 1,-0.3 -35,-0.0 3,-0.0 -2,-0.0 0.825 112.6 52.3 -52.9 -32.4 -3.2 28.3 33.2 47 47 A E T 3 S+ 0 0 164 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.274 95.2 91.0 -95.6 8.5 -3.9 24.6 33.6 48 48 A S S < S- 0 0 40 -3,-2.3 2,-0.5 4,-0.0 -4,-0.1 -0.174 77.4-109.4 -88.6-168.4 -0.3 23.5 34.0 49 49 A H > - 0 0 79 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.959 9.0-150.2-136.7 118.3 1.8 23.2 37.1 50 50 A I H > S+ 0 0 3 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.819 97.4 44.1 -51.0 -49.7 4.7 25.5 38.0 51 51 A K H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 115.1 47.2 -67.5 -49.9 6.7 22.9 39.9 52 52 A S H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 114.4 47.4 -56.5 -46.3 6.3 20.1 37.5 53 53 A E H X S+ 0 0 50 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.946 110.3 53.2 -62.0 -46.2 7.2 22.4 34.5 54 54 A F H <>S+ 0 0 1 -4,-2.4 5,-1.4 -5,-0.2 4,-0.4 0.871 112.1 44.6 -52.2 -46.8 10.2 23.8 36.4 55 55 A L H ><5S+ 0 0 92 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.935 113.5 50.4 -69.0 -41.6 11.6 20.3 37.1 56 56 A H H 3<5S+ 0 0 148 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.800 107.0 52.3 -67.2 -35.7 10.9 19.2 33.5 57 57 A L T 3<5S- 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.555 108.0-125.5 -76.9 -7.4 12.6 22.1 31.9 58 58 A G T < 5 + 0 0 53 -3,-1.1 -53,-0.5 -4,-0.4 -3,-0.2 0.716 47.1 174.9 70.7 24.1 15.8 21.4 34.0 59 59 A L < - 0 0 8 -5,-1.4 -53,-0.2 1,-0.1 -1,-0.2 -0.231 33.8-161.0 -64.6 146.6 15.8 25.0 35.4 60 60 A S S S- 0 0 27 -55,-3.2 34,-2.2 1,-0.3 2,-0.3 0.657 78.7 -7.1 -91.1 -21.4 18.1 26.2 38.0 61 61 A G E -bC 6 93A 0 -56,-1.1 -54,-0.7 32,-0.2 -1,-0.3 -0.973 63.5-169.0-166.4 154.2 16.0 29.2 38.9 62 62 A A E -bC 7 92A 0 30,-2.4 30,-3.4 -2,-0.3 2,-0.3 -0.995 18.0-136.5-146.6 153.3 12.9 31.0 37.7 63 63 A N E -bC 8 91A 5 -56,-2.7 -54,-2.4 -2,-0.3 2,-0.4 -0.753 23.6-149.2 -93.6 160.5 10.8 34.2 38.2 64 64 A V E -b 9 0A 3 26,-2.1 -54,-0.2 -2,-0.3 2,-0.2 -0.998 15.6-178.4-135.6 129.9 7.1 34.0 38.4 65 65 A T > - 0 0 45 -56,-2.6 3,-2.6 -2,-0.4 4,-0.1 -0.528 37.2 -15.1-118.7-178.5 4.7 36.6 37.2 66 66 A L T 3 S+ 0 0 65 1,-0.3 -55,-1.5 2,-0.2 -1,-0.2 -0.309 119.6 16.3 -61.8 143.1 0.8 37.1 37.2 67 67 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.779 120.3 59.1-106.6 42.0 -1.3 35.1 37.6 68 68 A F S <> S+ 0 0 0 -3,-2.6 4,-3.1 -59,-0.2 5,-0.2 0.339 70.3 96.8-108.7 1.0 1.0 32.4 39.2 69 69 A K H > S+ 0 0 17 2,-0.2 20,-2.3 1,-0.2 4,-1.3 0.898 89.8 42.5 -67.7 -40.2 2.5 34.0 42.3 70 70 A E H > S+ 0 0 72 18,-0.2 4,-1.8 2,-0.2 3,-0.3 0.942 114.6 52.4 -68.2 -42.7 -0.0 32.7 44.8 71 71 A R H > S+ 0 0 74 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.926 105.9 54.5 -55.5 -45.8 0.2 29.3 43.1 72 72 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 17,-0.3 -1,-0.2 0.875 105.5 53.0 -54.8 -41.8 4.0 29.4 43.4 73 73 A F H < S+ 0 0 61 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.915 111.0 47.9 -61.6 -39.4 3.7 29.9 47.1 74 74 A Q H < S+ 0 0 149 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.809 115.4 41.1 -69.3 -31.6 1.4 26.9 47.4 75 75 A V H < S+ 0 0 39 -4,-1.7 -1,-0.2 3,-0.0 -2,-0.2 0.655 84.7 109.8-106.2 -12.8 3.5 24.4 45.4 76 76 A C < - 0 0 14 -4,-1.5 24,-0.1 -5,-0.2 3,-0.1 -0.203 66.1-134.6 -54.2 150.6 7.1 25.1 46.5 77 77 A D S S+ 0 0 63 22,-1.5 2,-0.3 1,-0.3 23,-0.2 0.833 89.8 8.1 -74.9 -28.1 9.0 22.6 48.6 78 78 A K E -d 100 0A 82 21,-1.5 23,-3.0 2,-0.0 2,-0.5 -0.994 64.9-149.1-159.6 134.5 10.2 25.3 50.9 79 79 A I E -d 101 0A 37 -2,-0.3 2,-0.3 21,-0.2 23,-0.2 -0.959 19.8-173.1-113.3 130.2 9.5 29.0 51.4 80 80 A K > - 0 0 81 21,-2.3 3,-0.6 -2,-0.5 23,-0.3 -0.933 41.2 -7.0-120.9 150.9 12.2 31.3 52.7 81 81 A G T > S- 0 0 51 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.301 117.9 -14.4 78.8-152.2 12.4 35.0 53.7 82 82 A I T >> S+ 0 0 50 1,-0.3 3,-2.6 21,-0.2 4,-0.9 0.800 117.1 82.7 -65.9 -30.2 9.7 37.6 53.4 83 83 A A H X>>S+ 0 0 0 -3,-0.6 4,-1.1 1,-0.3 3,-0.9 0.815 79.9 68.0 -29.7 -46.9 7.8 35.3 51.0 84 84 A L H <45S+ 0 0 117 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.815 107.4 37.2 -52.5 -36.4 6.4 33.6 54.2 85 85 A E H <45S+ 0 0 98 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.504 111.6 60.4 -91.4 -11.6 4.5 36.8 55.0 86 86 A C H <<5S- 0 0 0 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.1 0.609 85.7-145.6 -88.2 -14.3 3.6 37.6 51.4 87 87 A G T <5S+ 0 0 11 -4,-1.1 2,-0.3 1,-0.2 -14,-0.2 0.797 74.8 91.1 44.6 29.7 1.6 34.4 50.6 88 88 A A < - 0 0 0 -5,-0.7 2,-0.4 -15,-0.1 -18,-0.2 -0.988 62.2-156.1-148.9 142.0 3.1 34.9 47.1 89 89 A V + 0 0 0 -20,-2.3 -17,-0.3 -2,-0.3 14,-0.3 -0.989 19.5 165.0-125.3 129.0 6.3 33.7 45.5 90 90 A N + 0 0 2 12,-1.9 -26,-2.1 -2,-0.4 2,-0.4 0.429 67.6 55.0-114.4 -4.6 8.0 35.5 42.5 91 91 A T E -CE 63 102A 0 11,-2.2 11,-3.5 -28,-0.3 2,-0.5 -0.996 61.1-167.9-137.2 131.3 11.4 33.8 42.6 92 92 A L E -CE 62 101A 0 -30,-3.4 -30,-2.4 -2,-0.4 2,-0.4 -0.956 5.7-178.2-121.9 128.8 12.2 30.1 42.5 93 93 A V E -CE 61 100A 10 7,-3.2 7,-3.4 -2,-0.5 2,-0.8 -0.994 26.3-134.2-129.2 137.2 15.5 28.5 43.2 94 94 A L E + E 0 99A 59 -34,-2.2 2,-0.5 -2,-0.4 5,-0.2 -0.789 35.7 172.1 -83.2 108.8 16.5 24.8 43.0 95 95 A E E > - E 0 98A 42 3,-2.8 3,-1.3 -2,-0.8 -2,-0.1 -0.944 67.9 -17.5-126.9 110.2 18.5 24.4 46.3 96 96 A N T 3 S- 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.887 124.4 -58.1 66.3 42.8 19.5 20.9 47.3 97 97 A D T 3 S+ 0 0 146 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.366 116.8 117.6 59.1 2.0 17.0 19.4 44.8 98 98 A E E < S- E 0 95A 68 -3,-1.3 -3,-2.8 -21,-0.0 2,-0.8 -0.799 70.5-124.4 -93.5 136.8 14.3 21.3 46.8 99 99 A L E - E 0 94A 0 -2,-0.4 -22,-1.5 -5,-0.2 -21,-1.5 -0.662 33.5-162.5 -79.6 110.5 12.2 23.9 45.0 100 100 A V E -dE 78 93A 0 -7,-3.4 -7,-3.2 -2,-0.8 2,-0.5 -0.851 4.1-147.8-104.2 135.6 12.7 27.0 47.1 101 101 A G E +dE 79 92A 0 -23,-3.0 -21,-2.3 -2,-0.5 2,-0.3 -0.844 17.9 174.0-104.6 129.3 10.4 30.0 46.9 102 102 A Y E - E 0 91A 23 -11,-3.5 -11,-2.2 -2,-0.5 -12,-1.9 -0.787 21.7-143.7-119.1 164.4 11.4 33.6 47.5 103 103 A N + 0 0 9 -23,-0.3 4,-0.3 -2,-0.3 -21,-0.2 -0.952 25.4 162.1-125.8 113.0 9.6 37.0 47.1 104 104 A T > + 0 0 7 -2,-0.4 4,-2.1 2,-0.1 136,-0.1 0.415 61.5 85.0-104.8 1.1 11.6 39.9 45.9 105 105 A D H > S+ 0 0 7 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.912 86.5 56.2 -61.6 -44.6 8.5 42.1 44.9 106 106 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.959 116.7 31.6 -57.3 -58.6 8.2 43.4 48.5 107 107 A L H > S+ 0 0 67 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.876 115.4 60.6 -70.0 -33.5 11.7 44.8 48.8 108 108 A G H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.908 109.4 43.7 -55.2 -43.1 11.8 45.6 45.1 109 109 A F H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 3,-0.4 0.921 110.5 54.9 -70.2 -47.1 8.8 47.9 45.7 110 110 A Y H >< S+ 0 0 99 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.941 108.8 47.9 -46.6 -51.2 10.2 49.3 48.9 111 111 A L H 3< S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 105.8 58.9 -68.9 -22.2 13.4 50.4 47.0 112 112 A S H 3< S+ 0 0 6 -4,-1.1 2,-0.7 -3,-0.4 -1,-0.2 0.650 85.4 92.7 -76.5 -19.8 11.4 52.0 44.1 113 113 A L << - 0 0 20 -3,-1.1 -1,-0.0 -4,-0.9 -4,-0.0 -0.691 53.6-174.1 -83.8 109.5 9.7 54.4 46.5 114 114 A K + 0 0 174 -2,-0.7 2,-0.3 2,-0.0 -1,-0.2 0.789 66.6 58.8 -78.7 -22.6 11.6 57.6 46.7 115 115 A Q - 0 0 49 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 -0.817 51.8-174.4-113.6 150.9 9.5 59.1 49.4 116 116 A K + 0 0 148 -2,-0.3 2,-1.3 1,-0.1 -1,-0.1 0.695 63.8 90.0-108.3 -26.5 8.7 57.9 52.9 117 117 A N + 0 0 50 57,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.006 51.8 126.1 -77.8 30.8 6.2 60.4 54.2 118 118 A Y - 0 0 17 -2,-1.3 3,-0.1 1,-0.1 55,-0.0 -0.771 39.8-166.8 -89.5 135.7 3.0 58.6 53.0 119 119 A Q + 0 0 138 -2,-0.4 24,-1.8 1,-0.2 2,-0.3 0.819 65.6 5.0 -88.1 -39.6 0.5 58.0 55.8 120 120 A N E -f 143 0B 28 22,-0.2 55,-1.7 2,-0.0 54,-0.5 -0.933 59.8-152.7-149.6 162.7 -1.9 55.5 54.1 121 121 A A E -fg 144 175B 0 22,-2.0 24,-2.7 -2,-0.3 2,-0.5 -0.989 8.3-149.2-142.5 140.6 -2.3 53.5 51.0 122 122 A L E -fg 145 176B 0 53,-2.8 55,-2.7 -2,-0.3 2,-0.5 -0.986 18.1-161.2-108.5 119.8 -5.2 52.1 48.9 123 123 A I E -fg 146 177B 0 22,-3.0 24,-2.7 -2,-0.5 2,-0.5 -0.869 2.8-158.7 -98.0 130.1 -4.3 48.9 47.1 124 124 A L E +fg 147 178B 4 53,-2.6 55,-2.2 -2,-0.5 24,-0.2 -0.901 60.2 35.9-103.6 126.2 -6.5 47.8 44.1 125 125 A G - 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0 0 57 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.371 20.8-117.0 -75.7 150.4 24.8 41.1 45.7 252 252 A Y H 3> S+ 0 0 73 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.732 111.3 61.9 -61.7 -25.9 21.7 42.7 44.4 253 253 A S H 3> S+ 0 0 66 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.857 105.3 47.5 -73.9 -28.8 23.3 46.2 44.3 254 254 A K H <> S+ 0 0 69 -3,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.870 114.0 46.3 -71.3 -49.2 25.9 45.0 41.8 255 255 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.891 108.5 57.9 -54.1 -41.4 23.2 43.3 39.6 256 256 A F H X S+ 0 0 37 -4,-2.6 4,-3.5 -5,-0.2 5,-0.3 0.895 101.9 55.2 -63.8 -37.3 21.2 46.5 39.9 257 257 A E H X S+ 0 0 144 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.925 113.0 39.5 -61.1 -51.3 24.0 48.6 38.4 258 258 A V H X S+ 0 0 28 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.919 118.4 50.8 -62.8 -40.7 24.3 46.4 35.2 259 259 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.908 109.4 46.6 -68.2 -46.2 20.5 46.1 35.0 260 260 A R H < S+ 0 0 167 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.929 114.2 50.0 -63.7 -42.4 19.6 49.7 35.3 261 261 A S H < S+ 0 0 103 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.951 113.5 44.1 -55.2 -56.7 22.3 50.6 32.7 262 262 A V H < 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 360.0 360.0 -62.0 -41.0 21.1 48.0 30.2 263 263 A F < 0 0 86 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.940 360.0 360.0 -62.5 360.0 17.4 48.8 30.6 264 !* 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 0.0 265 1 B M 0 0 231 0, 0.0 34,-0.1 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 80.9 31.6 71.8 34.7 266 2 B K E -k 299 0C 101 32,-0.5 34,-2.5 1,-0.1 2,-0.3 -0.076 360.0-165.3 -61.8 136.6 28.9 71.7 37.3 267 3 B L E -k 300 0C 117 32,-0.2 2,-0.3 2,-0.0 34,-0.2 -0.916 6.6-176.1-109.2 148.6 25.2 72.7 36.7 268 4 B K E -k 301 0C 56 32,-1.4 34,-1.8 -2,-0.3 2,-0.3 -0.973 16.1-145.3-137.4 131.7 22.5 73.5 39.2 269 5 B S E +kl 302 323C 22 53,-0.5 55,-2.9 -2,-0.3 56,-0.8 -0.738 21.5 169.5-100.1 147.5 18.9 74.2 38.1 270 6 B F E +kl 303 325C 3 32,-1.8 34,-1.8 -2,-0.3 2,-0.3 -0.922 1.8 162.2-143.8 162.7 16.6 76.7 39.9 271 7 B G E -kl 304 326C 0 54,-0.8 56,-2.5 -2,-0.3 2,-0.5 -0.985 35.3-107.0-167.1 177.3 13.2 78.2 39.2 272 8 B V E -kl 305 327C 0 32,-1.5 34,-2.4 -2,-0.3 2,-0.5 -0.992 26.7-151.7-117.8 123.7 10.1 80.0 40.4 273 9 B F E +kl 306 328C 0 54,-2.6 56,-2.6 -2,-0.5 2,-0.3 -0.852 38.1 123.7 -86.1 132.5 6.8 78.1 40.6 274 10 B G E -k 307 0C 0 32,-1.5 34,-2.2 -2,-0.5 3,-0.3 -0.967 54.2-109.3-171.4 174.3 3.6 80.2 40.2 275 11 B N S S+ 0 0 51 55,-1.4 2,-0.1 1,-0.6 32,-0.0 -0.786 111.5 21.9-158.4 101.1 0.4 80.5 38.3 276 12 B P S S+ 0 0 34 0, 0.0 -1,-0.6 0, 0.0 54,-0.1 0.572 85.2 144.9 -86.9 163.1 0.5 82.9 36.5 277 13 B I > + 0 0 8 -3,-0.3 3,-2.3 -2,-0.1 -2,-0.1 0.520 37.7 96.5-135.9 -17.3 4.4 83.4 36.3 278 14 B K T 3 S+ 0 0 195 1,-0.3 29,-0.0 27,-0.1 -3,-0.0 0.782 84.6 60.5 -60.7 -24.7 5.5 84.7 32.9 279 15 B H T 3 S+ 0 0 59 169,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.671 80.1 122.1 -66.2 -20.5 5.5 88.3 34.2 280 16 B S < - 0 0 20 -3,-2.3 4,-0.3 1,-0.1 -3,-0.1 -0.173 47.7-166.1 -60.6 134.9 8.1 87.3 36.8 281 17 B K > + 0 0 93 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.387 67.0 98.0 -97.0 6.4 11.4 89.2 36.8 282 18 B S H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.889 78.2 53.1 -56.4 -51.0 13.0 86.6 39.1 283 19 B P H > S+ 0 0 17 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.959 108.6 52.6 -55.2 -43.9 14.8 84.6 36.3 284 20 B L H > S+ 0 0 86 -4,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.949 116.2 36.8 -51.4 -55.4 16.4 87.9 35.1 285 21 B I H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.840 120.4 45.2 -76.9 -33.3 17.8 88.9 38.5 286 22 B H H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.897 115.4 48.4 -71.7 -42.8 18.8 85.5 39.7 287 23 B N H X S+ 0 0 48 -4,-2.9 4,-3.4 -5,-0.4 5,-0.3 0.964 107.5 54.9 -64.7 -46.8 20.3 84.6 36.3 288 24 B A H X S+ 0 0 21 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.928 113.0 45.1 -45.5 -44.1 22.2 87.9 36.3 289 25 B C H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -2,-0.3 0.875 111.9 49.3 -74.8 -33.3 23.6 86.7 39.6 290 26 B F H < S+ 0 0 0 -4,-2.6 11,-0.2 2,-0.2 -2,-0.2 0.926 115.3 45.4 -71.2 -36.0 24.3 83.2 38.4 291 27 B L H >< S+ 0 0 104 -4,-3.4 3,-1.5 1,-0.2 4,-0.3 0.957 113.0 46.9 -71.5 -50.3 26.2 84.5 35.4 292 28 B T H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.717 120.5 40.8 -67.6 -19.8 28.2 87.3 37.1 293 29 B F T 3X S+ 0 0 13 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.3 0.211 80.8 115.2-106.5 14.8 29.2 84.7 39.9 294 30 B Q H <>>S+ 0 0 96 -3,-1.5 4,-1.0 1,-0.2 5,-0.5 0.911 82.4 36.6 -53.9 -52.5 29.8 81.7 37.6 295 31 B K H 45S+ 0 0 164 -4,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.839 116.1 53.1 -73.7 -31.6 33.5 81.3 38.2 296 32 B E H 45S+ 0 0 121 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.832 109.2 50.4 -66.2 -32.1 33.4 82.2 41.9 297 33 B L H <5S- 0 0 5 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.748 98.8-128.3 -85.2 -23.1 30.6 79.6 42.7 298 34 B R T <5S+ 0 0 182 -4,-1.0 -32,-0.5 -5,-0.2 2,-0.3 0.390 85.1 62.0 83.1 1.2 32.2 76.5 41.1 299 35 B F E - 0 0 44 0, 0.0 3,-1.7 0, 0.0 -34,-0.0 -0.332 29.0-114.5 -55.7 147.4 -1.0 74.0 37.1 310 46 B L T 3 S+ 0 0 71 1,-0.3 -35,-0.0 3,-0.0 -2,-0.0 0.822 116.4 47.9 -55.7 -34.3 -3.3 74.6 40.1 311 47 B E T 3 S+ 0 0 93 2,-0.1 -1,-0.3 -86,-0.0 2,-0.1 0.453 90.1 112.0 -87.2 2.5 -3.7 70.9 40.8 312 48 B S < - 0 0 9 -3,-1.7 2,-0.6 -87,-0.1 -87,-0.1 -0.355 69.9-122.3 -72.9 150.3 0.0 70.1 40.5 313 49 B H > - 0 0 55 -89,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.838 14.4-154.1 -96.6 118.3 2.1 69.1 43.5 314 50 B I H > S+ 0 0 6 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.852 92.2 49.1 -56.1 -42.2 5.1 71.5 44.1 315 51 B K H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.944 110.8 48.8 -71.1 -44.3 7.3 68.9 45.8 316 52 B S H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.917 114.6 46.2 -58.6 -44.8 6.8 66.2 43.2 317 53 B E H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.855 111.4 52.2 -65.5 -35.5 7.6 68.7 40.4 318 54 B F H <>S+ 0 0 1 -4,-2.0 5,-1.8 -5,-0.2 -2,-0.2 0.895 114.5 42.3 -69.1 -40.1 10.6 70.1 42.4 319 55 B L H ><5S+ 0 0 70 -4,-2.7 3,-1.6 3,-0.2 -2,-0.2 0.932 113.2 52.9 -70.3 -42.7 12.0 66.6 42.8 320 56 B H H 3<5S+ 0 0 144 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.897 108.6 48.8 -61.0 -44.7 11.2 65.6 39.2 321 57 B L T 3<5S- 0 0 72 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.497 106.5-129.8 -71.9 -4.8 13.0 68.6 37.8 322 58 B G T < 5 + 0 0 51 -3,-1.6 -53,-0.5 -4,-0.2 -3,-0.2 0.866 42.8 177.8 54.4 40.0 16.0 67.8 40.0 323 59 B L E < -l 269 0C 8 -5,-1.8 -53,-0.2 1,-0.1 -1,-0.2 -0.381 34.4-155.5 -69.1 150.9 16.2 71.4 41.2 324 60 B S E S- 0 0 29 -55,-2.9 34,-2.3 1,-0.3 2,-0.3 0.681 78.2 -14.4 -86.3 -19.8 18.7 72.6 43.7 325 61 B G E -lM 270 357C 0 -56,-0.8 -54,-0.8 32,-0.2 -1,-0.3 -0.981 62.4-174.4-177.9 154.3 16.4 75.4 44.8 326 62 B A E -lM 271 356C 0 30,-2.4 30,-3.5 -2,-0.3 2,-0.3 -0.977 21.6-125.8-162.8 157.7 13.3 77.5 43.9 327 63 B N E -lM 272 355C 5 -56,-2.5 -54,-2.6 -2,-0.3 2,-0.4 -0.687 24.3-146.3-100.5 162.3 11.1 80.3 44.7 328 64 B V E -l 273 0C 3 26,-1.6 2,-0.2 -2,-0.3 -54,-0.2 -0.997 14.2-173.4-138.7 133.3 7.4 80.0 45.1 329 65 B T > - 0 0 32 -56,-2.6 3,-2.8 -2,-0.4 4,-0.1 -0.568 37.6 -25.4-118.0 173.5 4.7 82.5 44.2 330 66 B L T 3 S+ 0 0 46 1,-0.3 -55,-1.4 -2,-0.2 -1,-0.2 -0.376 119.1 19.3 -63.3 140.0 1.0 82.8 44.7 331 67 B P T 3 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.758 119.1 59.2-109.2 46.4 -1.0 80.8 45.1 332 68 B F S <> S+ 0 0 0 -3,-2.8 4,-2.6 -59,-0.2 -2,-0.2 0.379 72.6 95.2-108.3 -1.5 1.4 78.0 46.2 333 69 B K H > S+ 0 0 13 2,-0.2 20,-2.8 1,-0.2 4,-1.4 0.870 88.6 43.5 -64.8 -44.8 3.1 79.5 49.3 334 70 B E H > S+ 0 0 69 18,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.895 115.6 50.4 -66.4 -43.0 0.9 77.9 52.0 335 71 B R H > S+ 0 0 77 -4,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.896 106.7 54.1 -62.9 -38.8 1.0 74.6 50.1 336 72 B A H >X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.891 107.7 52.9 -61.6 -35.2 4.8 74.7 49.9 337 73 B F H >< S+ 0 0 55 -4,-1.4 3,-0.7 1,-0.2 -2,-0.2 0.919 105.7 52.3 -61.4 -46.5 4.7 75.2 53.6 338 74 B Q H 3< S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.650 113.9 42.9 -64.7 -20.0 2.6 72.1 54.2 339 75 B V H << S+ 0 0 42 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.447 79.6 112.4-117.4 -3.1 4.9 69.8 52.2 340 76 B C << - 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