==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4GPN . COMPND 2 MOLECULE: 6-PHOSPHO-BETA-D-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR K.TAN,K.MICHALSKA,H.LI,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CE . 954 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 705 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 85 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.0 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 1 3 1 3 1 3 0 0 3 2 3 0 0 2 0 0 0 1 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 3 5 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 . 11 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 1 1 0 0 0 1 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 0 A A 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.0 28.2 -18.1 31.0 2 1 A M - 0 0 151 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.385 360.0-115.6 -88.3 156.1 24.9 -16.6 32.1 3 2 A S - 0 0 22 2,-0.3 -1,-0.1 -2,-0.1 4,-0.1 -0.311 24.7-116.6 -79.0 166.9 23.2 -13.3 31.3 4 3 A K S S+ 0 0 124 470,-0.2 -1,-0.1 2,-0.1 471,-0.1 0.815 103.2 58.7 -74.3 -28.5 22.3 -10.6 33.8 5 4 A L S S- 0 0 4 469,-0.5 -2,-0.3 1,-0.1 471,-0.0 -0.685 103.7 -90.5 -97.5 153.4 18.7 -11.2 33.0 6 5 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.234 35.0-118.4 -60.0 153.2 16.8 -14.6 33.3 7 6 A E T 3 S+ 0 0 120 1,-0.3 467,-0.1 -4,-0.1 -2,-0.0 0.753 112.5 48.5 -67.9 -27.1 16.8 -16.8 30.3 8 7 A N T 3 S+ 0 0 131 2,-0.1 -1,-0.3 412,-0.0 0, 0.0 0.115 77.8 154.1-102.0 18.3 13.1 -16.8 29.8 9 8 A F < - 0 0 4 -3,-1.4 2,-1.5 1,-0.1 411,-0.2 -0.219 48.9-121.6 -47.3 131.5 12.8 -13.0 30.1 10 9 A L E +a 420 0A 17 409,-2.3 411,-2.0 73,-0.1 2,-0.3 -0.585 36.8 176.2 -90.2 83.6 9.7 -11.9 28.3 11 10 A W E +a 421 0A 2 -2,-1.5 72,-2.8 409,-0.2 73,-1.7 -0.676 23.6 124.6 -78.3 138.3 10.8 -9.4 25.6 12 11 A G E -b 84 0A 0 409,-1.7 2,-0.3 -2,-0.3 73,-0.2 -0.861 52.9 -98.4-163.9-160.4 8.0 -8.3 23.4 13 12 A G E -b 85 0A 0 71,-0.8 73,-2.1 -2,-0.2 2,-0.3 -0.981 30.1-139.0-139.5 152.9 6.1 -5.2 22.1 14 13 A A E +bc 86 424A 0 409,-2.7 411,-2.4 -2,-0.3 412,-0.8 -0.844 27.0 147.4-119.9 149.3 2.9 -3.6 23.3 15 14 A V - 0 0 0 71,-1.9 2,-0.3 -2,-0.3 3,-0.0 -0.887 34.8-120.4-152.9-176.8 -0.2 -2.0 21.8 16 15 A A >> - 0 0 0 -2,-0.3 3,-2.0 71,-0.2 4,-0.7 -0.995 27.1-117.2-134.6 140.8 -4.0 -1.5 22.5 17 16 A A H >> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.3 3,-0.7 0.801 109.5 50.6 -42.2 -46.7 -6.8 -2.7 20.3 18 17 A H H 34 S+ 0 0 21 113,-0.3 -1,-0.3 1,-0.2 45,-0.1 0.555 105.4 56.1 -79.7 -8.2 -8.3 0.7 19.5 19 18 A Q H <4 S+ 0 0 3 -3,-2.0 411,-2.2 44,-0.1 -1,-0.2 0.602 125.5 12.4 -99.3 -12.9 -5.0 2.4 18.4 20 19 A L H << S+ 0 0 0 -4,-0.7 46,-2.5 -3,-0.7 44,-0.9 0.634 109.3 74.2-129.0 -28.7 -4.0 -0.1 15.7 21 20 A E < + 0 0 2 -4,-2.0 46,-2.5 -5,-0.3 47,-0.4 0.890 55.6 176.8 -62.8 -55.4 -7.0 -2.4 14.7 22 21 A G + 0 0 4 38,-0.4 40,-0.2 -5,-0.3 -1,-0.2 -0.554 42.6 110.7 72.8-146.6 -9.5 -0.4 12.8 23 22 A G > + 0 0 8 -2,-0.2 3,-0.9 1,-0.2 6,-0.2 0.860 43.3 170.4 43.0 44.3 -12.5 -2.4 11.5 24 23 A W T 3 S+ 0 0 32 37,-1.2 -1,-0.2 1,-0.3 8,-0.1 0.370 76.4 28.7 -72.2 5.0 -14.5 -0.4 14.1 25 24 A Q T > S+ 0 0 121 36,-0.1 3,-1.1 6,-0.1 -1,-0.3 0.322 93.3 119.7-136.8 -5.8 -17.8 -1.7 12.7 26 25 A E G X S+ 0 0 88 -3,-0.9 3,-1.6 1,-0.2 -4,-0.0 -0.354 80.4 11.5 -65.3 142.6 -16.5 -5.1 11.4 27 26 A G G 3 S- 0 0 37 1,-0.3 80,-0.3 -2,-0.1 -1,-0.2 0.787 132.4 -65.2 60.7 30.3 -18.1 -8.2 12.9 28 27 A G G < S+ 0 0 50 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.631 80.1 175.5 68.4 15.3 -20.8 -6.1 14.6 29 28 A K < - 0 0 20 -3,-1.6 64,-0.2 -6,-0.2 -1,-0.2 -0.282 24.7-129.5 -53.3 132.9 -18.3 -4.3 16.8 30 29 A G - 0 0 13 62,-2.2 2,-0.4 1,-0.1 62,-0.1 -0.296 28.0 -83.8 -81.9 168.3 -20.1 -1.6 18.8 31 30 A I - 0 0 71 -2,-0.1 105,-3.0 -6,-0.1 106,-0.6 -0.602 49.0-164.1 -71.8 125.0 -19.1 2.0 19.3 32 31 A S B > -J 135 0B 2 -2,-0.4 3,-1.1 103,-0.3 4,-0.3 -0.519 36.2 -97.7-102.2 174.8 -16.5 2.4 22.0 33 32 A V G > S+ 0 0 0 101,-2.1 3,-1.3 1,-0.3 100,-0.1 0.863 123.3 56.3 -60.3 -37.7 -15.5 5.5 23.8 34 33 A A G > S+ 0 0 3 1,-0.2 3,-1.1 98,-0.2 26,-0.4 0.663 94.0 68.7 -67.8 -17.2 -12.5 5.9 21.6 35 34 A D G < S+ 0 0 4 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.572 100.9 47.7 -81.6 -8.6 -14.7 5.9 18.5 36 35 A V G < S+ 0 0 0 -3,-1.3 13,-2.3 -4,-0.3 2,-0.6 0.149 89.0 102.2-115.2 16.1 -16.1 9.3 19.5 37 36 A M B < -K 48 0C 8 -3,-1.1 23,-0.4 11,-0.2 11,-0.2 -0.896 61.8-147.9-103.3 118.2 -12.8 10.9 20.2 38 37 A T - 0 0 11 9,-2.5 20,-0.2 -2,-0.6 2,-0.2 -0.199 27.8 -86.2 -76.1 171.3 -11.5 13.3 17.5 39 38 A A + 0 0 38 18,-1.5 396,-0.2 7,-0.1 8,-0.2 -0.521 50.2 171.2 -79.5 144.8 -7.9 13.9 16.5 40 39 A G - 0 0 15 394,-3.2 2,-0.3 -2,-0.2 5,-0.2 -0.392 19.0-131.5-129.5-151.1 -5.7 16.5 18.3 41 40 A R B > -L 44 0D 130 3,-2.0 3,-2.1 392,-0.2 2,-0.6 -0.966 47.1 -59.8-162.0 166.8 -2.2 17.9 18.6 42 41 A H T 3 S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.3 392,-0.0 -0.440 129.9 11.0 -60.2 108.4 0.5 18.9 21.2 43 42 A G T 3 S+ 0 0 80 -2,-0.6 2,-0.6 1,-0.1 -1,-0.3 0.086 114.6 91.1 106.5 -20.8 -1.3 21.6 23.2 44 43 A V B < S-L 41 0D 71 -3,-2.1 -3,-2.0 390,-0.0 -1,-0.1 -0.933 72.2-134.4-115.1 118.1 -4.7 20.9 21.6 45 44 A A - 0 0 85 -2,-0.6 2,-0.2 -5,-0.2 389,-0.1 -0.226 21.8-110.5 -64.6 149.7 -7.1 18.4 23.3 46 45 A R - 0 0 24 387,-0.5 2,-0.5 -6,-0.1 -7,-0.1 -0.541 38.5-114.5 -69.3 149.6 -8.9 15.7 21.4 47 46 A E - 0 0 89 -8,-0.2 -9,-2.5 -2,-0.2 2,-1.0 -0.786 15.4-147.2 -94.0 129.1 -12.7 16.4 21.3 48 47 A I B -K 37 0C 58 -2,-0.5 -11,-0.2 -11,-0.2 2,-0.1 -0.789 25.4-163.9 -93.0 96.6 -15.0 14.0 23.1 49 48 A T - 0 0 5 -13,-2.3 2,-1.2 -2,-1.0 3,-0.0 -0.464 25.4-117.3 -85.7 154.0 -18.1 14.1 20.9 50 49 A A S S- 0 0 84 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.719 89.1 -20.6 -89.6 90.4 -21.6 12.9 21.9 51 50 A G S S- 0 0 23 -2,-1.2 2,-0.5 2,-0.1 -2,-0.0 -0.089 107.8 -50.7 87.3 161.2 -22.0 10.1 19.3 52 51 A V - 0 0 60 -2,-0.1 2,-0.5 1,-0.0 -16,-0.1 -0.608 67.1-153.0 -72.6 118.3 -20.1 9.8 16.1 53 52 A L > - 0 0 83 -2,-0.5 3,-1.3 1,-0.0 -2,-0.1 -0.840 12.4-120.5-110.8 121.1 -20.5 13.2 14.4 54 53 A E T 3 S+ 0 0 188 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.134 99.4 28.7 -46.6 143.6 -20.4 14.0 10.7 55 54 A G T 3 S+ 0 0 72 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.596 98.0 107.4 77.4 11.4 -17.6 16.4 9.8 56 55 A K < - 0 0 87 -3,-1.3 2,-0.6 2,-0.0 -1,-0.3 -0.948 68.4-127.8-118.9 141.6 -15.4 15.3 12.6 57 56 A Y - 0 0 93 -2,-0.4 -18,-1.5 -18,-0.1 395,-0.0 -0.805 21.1-173.6 -95.7 119.4 -12.2 13.2 12.1 58 57 A Y > - 0 0 13 -2,-0.6 3,-1.6 -20,-0.2 4,-0.3 -0.834 3.3-171.9-113.8 96.3 -12.0 10.1 14.3 59 58 A P G >> S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.695 78.3 64.1 -63.1 -26.1 -8.6 8.5 13.8 60 59 A N G 34 S+ 0 0 4 -23,-0.4 -38,-0.4 -26,-0.4 -25,-0.1 0.641 83.9 78.2 -74.4 -14.5 -9.3 5.3 15.7 61 60 A H G <4 S+ 0 0 19 -3,-1.6 -37,-1.2 1,-0.2 -1,-0.2 0.810 119.2 6.6 -63.5 -31.9 -12.0 4.2 13.2 62 61 A E T X4 S+ 0 0 107 -3,-0.8 3,-2.6 -4,-0.3 -2,-0.2 0.592 84.3 163.1-120.3 -27.1 -9.4 3.0 10.7 63 62 A A T 3< S- 0 0 0 -4,-1.9 -43,-0.2 1,-0.3 -42,-0.1 -0.086 78.9 -36.0 31.6-123.5 -6.2 3.3 12.7 64 63 A I T 3 S- 0 0 0 -44,-0.9 -1,-0.3 -4,-0.1 -43,-0.1 0.075 78.5-115.7-110.6 24.3 -3.6 1.2 10.8 65 64 A D X> + 0 0 37 -3,-2.6 4,-1.9 1,-0.1 3,-1.3 0.833 59.0 155.2 49.7 38.3 -6.0 -1.6 9.7 66 65 A F H 3> + 0 0 0 -46,-2.5 4,-2.2 1,-0.3 -45,-0.2 0.809 64.2 74.4 -63.3 -25.3 -4.1 -4.1 11.8 67 66 A Y H 34 S+ 0 0 47 -46,-2.5 -1,-0.3 -47,-0.3 -45,-0.1 0.839 109.6 28.0 -54.4 -36.8 -7.5 -5.9 11.9 68 67 A H H <4 S+ 0 0 109 -3,-1.3 -1,-0.2 -47,-0.4 3,-0.2 0.709 126.9 45.7 -95.3 -22.6 -6.7 -6.9 8.2 69 68 A H H >X S+ 0 0 47 -4,-1.9 4,-2.3 -48,-0.2 3,-0.9 0.482 74.0 111.8 -98.7 -2.6 -2.9 -6.8 8.4 70 69 A Y H 3X S+ 0 0 26 -4,-2.2 4,-3.7 1,-0.3 5,-0.3 0.803 73.7 55.5 -49.4 -42.5 -2.3 -8.7 11.6 71 70 A K H 3> S+ 0 0 104 -3,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.907 113.2 39.3 -58.1 -47.8 -0.8 -11.8 10.0 72 71 A E H <> S+ 0 0 119 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.888 118.0 51.1 -69.0 -37.4 2.0 -9.9 8.1 73 72 A D H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.920 109.3 48.2 -64.6 -46.6 2.4 -7.7 11.2 74 73 A V H X S+ 0 0 0 -4,-3.7 4,-2.4 1,-0.2 -1,-0.2 0.848 106.2 60.2 -60.5 -36.1 2.8 -10.6 13.6 75 74 A K H X S+ 0 0 132 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.897 103.6 49.8 -56.3 -42.3 5.2 -12.0 11.1 76 75 A L H X S+ 0 0 43 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.877 107.2 54.3 -65.5 -36.4 7.3 -8.8 11.6 77 76 A F H X>S+ 0 0 0 -4,-1.7 5,-2.1 1,-0.2 4,-0.9 0.917 109.3 48.3 -61.5 -43.0 7.1 -9.4 15.4 78 77 A A H <5S+ 0 0 27 -4,-2.4 3,-0.2 3,-0.2 -1,-0.2 0.868 104.9 59.1 -61.0 -41.1 8.5 -12.9 14.8 79 78 A E H <5S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.0 44.5 -61.4 -35.7 11.2 -11.5 12.7 80 79 A M H <5S- 0 0 2 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.674 119.6-118.6 -79.8 -18.1 12.4 -9.3 15.6 81 80 A G T <5 - 0 0 25 -4,-0.9 -3,-0.2 -3,-0.2 -70,-0.1 0.828 36.7-166.9 88.4 36.5 12.0 -12.4 17.7 82 81 A F < - 0 0 6 -5,-2.1 -70,-0.2 1,-0.2 -1,-0.1 -0.238 16.9-163.1 -52.8 135.5 9.3 -11.3 20.3 83 82 A K S S+ 0 0 97 -72,-2.8 41,-2.4 1,-0.2 2,-0.3 0.700 79.6 13.0 -88.7 -25.2 8.9 -13.7 23.3 84 83 A C E -bd 12 124A 0 -73,-1.7 -71,-0.8 39,-0.2 2,-0.3 -0.956 61.3-152.7-142.4 163.8 5.6 -12.0 24.0 85 84 A F E -bd 13 125A 4 39,-2.3 41,-2.7 -2,-0.3 2,-0.5 -0.950 14.2-157.3-138.3 122.5 3.0 -9.7 22.4 86 85 A R E +bd 14 126A 0 -73,-2.1 -71,-1.9 -2,-0.3 2,-0.2 -0.851 28.7 135.4-104.7 128.1 0.7 -7.4 24.4 87 86 A T E - d 0 127A 2 39,-2.0 41,-1.8 -2,-0.5 2,-0.3 -0.817 44.0-109.0-145.0-173.7 -2.6 -6.0 23.2 88 87 A S E - d 0 128A 0 -2,-0.2 2,-0.7 39,-0.2 41,-0.2 -0.839 23.2-115.7-117.4 161.3 -6.1 -5.6 24.6 89 88 A I - 0 0 0 39,-1.7 2,-0.8 -2,-0.3 42,-0.2 -0.894 36.1-121.8 -90.5 121.4 -9.3 -7.4 23.8 90 89 A A >> - 0 0 4 -2,-0.7 3,-2.7 1,-0.2 4,-0.9 -0.541 18.5-152.6 -65.2 105.1 -11.6 -4.7 22.4 91 90 A W H >> S+ 0 0 1 -2,-0.8 4,-3.1 1,-0.3 3,-1.1 0.860 94.2 57.5 -42.9 -45.2 -14.6 -4.9 24.8 92 91 A T H 34 S+ 0 0 1 41,-0.6 -62,-2.2 1,-0.3 -1,-0.3 0.569 98.4 61.1 -73.1 -6.1 -16.9 -3.7 22.1 93 92 A R H <4 S+ 0 0 4 -3,-2.7 14,-0.4 -64,-0.2 -1,-0.3 0.755 115.8 31.7 -83.8 -28.6 -15.9 -6.6 19.9 94 93 A I H << S+ 0 0 0 -3,-1.1 10,-2.1 -4,-0.9 -2,-0.2 0.875 140.6 16.4 -93.8 -53.0 -17.2 -9.1 22.5 95 94 A F < - 0 0 0 -4,-3.1 -1,-0.2 8,-0.2 -2,-0.2 -0.827 69.8-170.8-122.7 93.0 -20.1 -7.1 23.9 96 95 A P S S+ 0 0 21 0, 0.0 41,-0.4 0, 0.0 40,-0.3 0.834 92.8 21.7 -53.0 -40.5 -20.8 -4.2 21.5 97 96 A K S S- 0 0 111 38,-0.1 41,-0.1 -67,-0.1 -5,-0.1 0.655 104.1-130.6-100.1 -25.3 -23.2 -2.5 23.9 98 97 A G S S+ 0 0 2 -7,-0.1 59,-0.1 39,-0.1 -3,-0.0 0.177 90.1 74.3 103.5 -16.5 -21.8 -4.1 27.0 99 98 A D + 0 0 49 3,-0.0 -4,-0.0 55,-0.0 55,-0.0 0.202 63.5 132.4-114.3 11.5 -25.0 -5.4 28.6 100 99 A E - 0 0 54 1,-0.1 -5,-0.0 2,-0.1 0, 0.0 -0.220 57.0-136.8 -63.3 154.6 -25.8 -8.3 26.3 101 100 A A S S+ 0 0 76 1,-0.1 -1,-0.1 2,-0.1 -6,-0.0 0.898 90.9 37.2 -73.1 -44.4 -26.7 -11.7 27.7 102 101 A E S S- 0 0 149 1,-0.1 -1,-0.1 -8,-0.0 -2,-0.1 -0.860 86.2-117.7-114.5 146.0 -24.5 -13.5 25.2 103 102 A P - 0 0 39 0, 0.0 2,-0.6 0, 0.0 -8,-0.2 -0.217 35.5 -94.8 -75.5 166.8 -21.1 -12.6 23.7 104 103 A N > - 0 0 38 -10,-2.1 4,-1.8 1,-0.2 5,-0.1 -0.748 27.3-159.0 -89.0 121.3 -20.3 -11.8 20.1 105 104 A E H > S+ 0 0 102 -2,-0.6 4,-3.0 2,-0.2 5,-0.2 0.923 89.9 52.2 -67.4 -46.2 -18.9 -14.9 18.2 106 105 A A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 110.7 50.1 -58.7 -39.0 -17.2 -13.0 15.4 107 106 A G H > S+ 0 0 5 -14,-0.4 4,-1.6 -80,-0.3 -1,-0.2 0.897 111.5 47.6 -64.8 -41.9 -15.4 -10.9 17.9 108 107 A L H X S+ 0 0 5 -4,-1.8 4,-1.9 -15,-0.2 -2,-0.2 0.925 110.9 51.9 -64.7 -44.0 -14.3 -13.9 19.9 109 108 A Q H X S+ 0 0 78 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.905 103.4 59.1 -60.6 -42.3 -13.1 -15.6 16.7 110 109 A F H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.953 109.6 41.7 -51.4 -53.2 -11.1 -12.6 15.7 111 110 A Y H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.789 110.8 58.6 -69.9 -24.3 -9.0 -12.8 18.9 112 111 A D H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.961 109.6 43.2 -60.9 -52.3 -8.9 -16.6 18.4 113 112 A D H X S+ 0 0 59 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.885 115.6 49.5 -60.4 -40.9 -7.3 -16.1 15.0 114 113 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.939 113.6 43.7 -66.0 -50.1 -5.0 -13.4 16.4 115 114 A F H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.879 112.8 53.4 -64.5 -39.8 -3.8 -15.4 19.4 116 115 A D H X S+ 0 0 64 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.941 106.9 52.5 -56.1 -47.6 -3.3 -18.5 17.2 117 116 A E H < S+ 0 0 17 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.850 108.9 49.8 -62.9 -34.0 -1.2 -16.5 14.8 118 117 A C H ><>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 3,-1.9 0.948 109.9 50.0 -65.9 -47.6 1.1 -15.3 17.6 119 118 A L H ><5S+ 0 0 60 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.726 95.6 70.6 -69.6 -21.6 1.5 -18.8 19.0 120 119 A K T 3<5S+ 0 0 139 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.697 107.0 40.3 -60.8 -21.1 2.4 -20.2 15.5 121 120 A Y T < 5S- 0 0 97 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.261 122.0-106.5-111.2 5.8 5.6 -18.2 16.0 122 121 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.6 1,-0.3 -3,-0.2 0.618 71.8 146.2 75.0 13.4 6.1 -19.1 19.7 123 122 A I < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -39,-0.2 -0.749 44.8-136.1 -85.6 121.0 5.1 -15.6 20.7 124 123 A E E -d 84 0A 41 -41,-2.4 -39,-2.3 -2,-0.6 2,-0.1 -0.665 17.3-129.1 -80.2 118.3 3.1 -15.5 24.1 125 124 A P E -d 85 0A 2 0, 0.0 46,-0.8 0, 0.0 45,-0.7 -0.414 16.6-162.8 -61.1 136.5 0.0 -13.2 24.1 126 125 A V E -de 86 171A 0 -41,-2.7 -39,-2.0 44,-0.1 2,-0.4 -0.991 16.7-161.3-120.2 117.7 -0.2 -10.7 26.9 127 126 A V E -de 87 172A 0 44,-2.9 46,-1.5 -2,-0.4 2,-0.5 -0.847 18.4-163.5-114.8 136.8 -3.8 -9.4 27.2 128 127 A T E -de 88 173A 0 -41,-1.8 -39,-1.7 -2,-0.4 46,-0.2 -0.963 10.3-156.2-111.7 128.7 -5.3 -6.4 28.9 129 128 A L E S+ 0 0 1 44,-2.3 2,-0.5 -2,-0.5 -38,-0.2 0.859 81.0 29.7 -79.3 -36.0 -9.1 -6.6 29.4 130 129 A S E + e 0 175A 6 44,-2.4 46,-3.2 43,-0.2 -1,-0.3 -0.956 62.3 160.6-128.4 114.6 -9.9 -2.9 29.5 131 130 A H S S- 0 0 2 -2,-0.5 -113,-0.3 -42,-0.2 62,-0.1 -0.641 74.3 -63.2-136.3 76.7 -7.7 -0.4 27.7 132 131 A F S S+ 0 0 11 60,-0.3 -98,-0.2 -2,-0.2 61,-0.1 0.780 113.4 93.5 59.1 37.1 -9.5 2.9 27.1 133 132 A E + 0 0 4 59,-0.2 -41,-0.6 -100,-0.1 3,-0.1 0.047 42.4 154.4-151.0 32.9 -12.2 1.5 25.0 134 133 A L - 0 0 1 58,-0.3 -101,-2.1 1,-0.1 -100,-0.2 -0.201 59.6 -77.7 -67.0 161.2 -15.3 0.5 26.9 135 134 A P B >> -J 32 0B 0 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.342 32.5-144.2 -59.8 136.2 -18.7 0.4 25.1 136 135 A Y H >> S+ 0 0 39 -105,-3.0 4,-2.1 -40,-0.3 3,-1.0 0.814 97.9 69.2 -74.4 -29.0 -20.1 3.9 24.6 137 136 A H H 3> S+ 0 0 44 -106,-0.6 4,-2.8 -41,-0.4 5,-0.4 0.849 95.9 56.2 -51.9 -31.1 -23.6 2.6 25.1 138 137 A L H <>>S+ 0 0 0 -3,-0.7 6,-3.2 3,-0.2 5,-1.0 0.763 104.9 51.8 -79.1 -23.1 -22.5 2.1 28.8 139 138 A V H << - 0 0 25 -4,-1.1 3,-1.5 -5,-1.0 -4,-0.3 0.691 56.8 -99.3 92.8 27.0 -23.0 6.5 33.2 144 143 A G G > S- 0 0 0 -6,-3.2 3,-1.7 1,-0.2 6,-0.2 -0.238 87.8 -14.1 62.8-148.3 -20.0 4.3 32.6 145 144 A F G 3 S+ 0 0 0 49,-2.7 -1,-0.2 1,-0.3 69,-0.2 0.327 118.6 83.6 -76.9 10.8 -18.2 2.9 35.6 146 145 A T G < S+ 0 0 49 -3,-1.5 2,-0.6 48,-0.2 -1,-0.3 0.508 81.0 80.9 -78.9 -4.6 -20.0 5.4 37.9 147 146 A N S X S- 0 0 46 -3,-1.7 3,-3.1 1,-0.1 4,-0.5 -0.895 75.6-146.7-109.7 117.0 -22.8 2.8 37.9 148 147 A R T >> S+ 0 0 67 -2,-0.6 3,-1.5 1,-0.3 4,-0.6 0.806 97.0 71.1 -47.3 -31.1 -22.5 -0.3 40.2 149 148 A K H 3> S+ 0 0 130 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.684 86.3 65.0 -61.6 -19.3 -24.3 -2.2 37.5 150 149 A V H <> S+ 0 0 0 -3,-3.1 4,-2.7 -6,-0.2 -1,-0.3 0.719 85.3 70.9 -83.0 -19.7 -21.2 -2.1 35.3 151 150 A I H <> S+ 0 0 6 -3,-1.5 4,-2.6 -4,-0.5 5,-0.2 0.987 102.6 44.6 -51.5 -59.7 -19.2 -4.2 37.6 152 151 A D H X S+ 0 0 88 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 0.908 111.3 53.1 -48.8 -51.9 -21.3 -7.2 36.6 153 152 A F H X S+ 0 0 39 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.911 112.3 45.1 -56.3 -46.0 -21.1 -6.3 32.9 154 153 A F H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.924 111.5 50.8 -63.0 -49.9 -17.3 -6.1 33.0 155 154 A V H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.807 108.0 54.0 -57.0 -34.1 -16.9 -9.4 35.0 156 155 A H H X S+ 0 0 60 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.920 111.3 46.2 -66.0 -42.9 -19.2 -11.1 32.5 157 156 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.926 113.0 48.5 -62.8 -48.9 -16.8 -9.9 29.8 158 157 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.919 111.3 51.9 -58.4 -43.4 -13.7 -10.9 31.8 159 158 A E H X S+ 0 0 64 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 107.3 50.6 -61.8 -47.5 -15.3 -14.3 32.4 160 159 A V H X S+ 0 0 23 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 113.8 45.3 -56.9 -42.5 -16.0 -15.0 28.7 161 160 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 110.8 52.7 -71.9 -39.4 -12.5 -14.1 27.7 162 161 A F H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.5 43.9 -60.5 -46.4 -11.0 -16.2 30.5 163 162 A R H >< S+ 0 0 134 -4,-2.7 3,-1.7 1,-0.2 4,-0.2 0.989 113.9 47.3 -59.7 -64.3 -13.0 -19.1 29.3 164 163 A R H 3< S+ 0 0 71 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.798 125.2 29.1 -47.4 -40.7 -12.4 -18.8 25.6 165 164 A Y T >X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 3,-0.8 -0.126 76.2 126.6-120.2 32.3 -8.7 -18.3 25.8 166 165 A K T <4 S+ 0 0 75 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.738 84.6 36.3 -70.4 -22.2 -7.8 -20.3 29.0 167 166 A D T 34 S+ 0 0 128 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.351 118.0 51.1-108.9 4.3 -5.2 -22.3 27.2 168 167 A K T <4 S+ 0 0 47 -3,-0.8 2,-0.5 1,-0.2 -2,-0.2 0.750 104.2 50.9-105.2 -34.4 -3.9 -19.6 24.8 169 168 A V < + 0 0 1 -4,-2.0 -1,-0.2 -7,-0.1 -43,-0.1 -0.930 46.3 170.2-114.9 122.9 -3.1 -16.6 27.1 170 169 A K + 0 0 103 -45,-0.7 64,-2.8 -2,-0.5 2,-0.5 0.587 68.1 61.8-100.2 -16.5 -1.0 -17.0 30.3 171 170 A Y E +ef 126 234A 38 -46,-0.8 -44,-2.9 62,-0.2 2,-0.3 -0.938 61.5 162.3-124.6 117.1 -0.6 -13.3 31.0 172 171 A W E -ef 127 235A 0 62,-3.1 64,-2.6 -2,-0.5 2,-0.3 -0.885 17.3-172.8-129.1 160.3 -3.5 -11.0 31.8 173 172 A M E -ef 128 236A 0 -46,-1.5 -44,-2.3 -2,-0.3 64,-0.2 -0.957 15.1-147.8-146.8 151.3 -4.2 -7.6 33.3 174 173 A T E S+ 0 0 0 62,-1.2 -44,-2.4 -2,-0.3 2,-0.6 0.970 74.2 17.1 -87.5 -75.6 -7.5 -6.1 34.1 175 174 A F E > S-e 130 0A 6 -46,-0.2 3,-0.8 -47,-0.1 63,-0.5 -0.906 77.0-124.8-111.4 117.1 -7.6 -2.3 33.8 176 175 A N T 3 S- 0 0 3 -46,-3.2 -44,-0.2 -2,-0.6 63,-0.1 -0.336 85.3 -20.0 -58.9 130.3 -4.9 -0.4 31.9 177 176 A E T > S- 0 0 20 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.857 76.0-175.9 34.5 62.6 -3.2 2.3 34.0 178 177 A I G X S+ 0 0 1 60,-2.0 3,-0.6 -3,-0.8 -1,-0.2 0.758 72.6 61.9 -62.9 -24.1 -6.2 2.4 36.3 179 178 A N G > S+ 0 0 0 59,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.380 71.8 93.8 -85.3 3.1 -4.6 5.3 38.2 180 179 A N G X S+ 0 0 27 -3,-1.8 3,-2.5 1,-0.3 -1,-0.2 0.874 76.9 64.9 -61.1 -35.8 -4.5 7.9 35.4 181 180 A Q G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.576 71.2 92.3 -67.8 -9.9 -7.8 9.3 36.6 182 181 A A G < S+ 0 0 15 -3,-1.5 2,-1.1 1,-0.2 -1,-0.3 0.835 80.6 68.0 -48.4 -29.4 -6.0 10.3 39.7 183 182 A N < + 0 0 21 -3,-2.5 -1,-0.2 -4,-0.2 6,-0.2 -0.785 64.0 153.4 -88.1 93.8 -5.8 13.3 37.4 184 183 A Y + 0 0 28 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.405 50.5 84.9-103.6 -0.9 -9.5 14.2 37.4 185 184 A Q S S+ 0 0 46 -3,-0.1 2,-0.3 19,-0.0 -1,-0.2 0.832 91.3 51.7 -71.1 -33.5 -9.1 17.9 36.7 186 185 A E S S- 0 0 111 -3,-0.1 148,-0.0 1,-0.1 3,-0.0 -0.687 84.4-128.2-103.0 158.7 -9.0 17.1 33.0 187 186 A D S > S+ 0 0 84 -2,-0.3 4,-1.9 1,-0.1 5,-0.3 0.829 88.3 77.3 -76.3 -34.9 -11.5 15.1 31.0 188 187 A F H >> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.896 95.7 38.7 -46.2 -70.1 -9.2 12.6 29.3 189 188 A A H 3>>S+ 0 0 10 1,-0.3 4,-4.4 -6,-0.2 5,-0.6 0.919 116.2 50.0 -54.6 -54.2 -8.4 10.0 31.9 190 189 A P H 3>5S+ 0 0 0 0, 0.0 6,-2.2 0, 0.0 4,-0.9 0.801 114.9 45.9 -53.1 -33.3 -11.8 9.9 33.7 191 190 A F H - 0 0 151 -2,-0.1 3,-1.8 1,-0.0 2,-0.1 -0.874 42.2 -68.7-130.3 169.1 -21.4 18.1 33.7 200 199 A E T 3 S+ 0 0 188 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.369 120.4 26.8 -56.8 131.6 -21.4 21.6 35.3 201 200 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.094 84.9 140.0 106.6 -22.7 -21.7 21.2 39.1 202 201 A D < - 0 0 36 -3,-1.8 2,-1.3 1,-0.1 -1,-0.3 -0.179 58.4-129.0 -58.1 140.8 -20.1 17.8 39.5 203 202 A D > - 0 0 82 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.810 31.5-170.0 -83.7 93.4 -17.7 17.0 42.3 204 203 A R H > S+ 0 0 65 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.879 79.1 48.4 -60.4 -42.5 -15.2 15.6 39.8 205 204 A E H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.968 110.9 49.2 -62.1 -55.0 -13.0 14.2 42.5 206 205 A A H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.918 112.1 48.6 -53.5 -47.9 -15.8 12.4 44.4 207 206 A I H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.864 108.6 54.4 -60.9 -36.5 -17.1 10.9 41.2 208 207 A M H X S+ 0 0 1 -4,-1.9 4,-2.8 -3,-0.3 5,-0.2 0.948 106.6 51.4 -62.5 -48.6 -13.6 9.7 40.2 209 208 A Y H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.865 109.1 51.3 -56.7 -38.7 -13.2 7.9 43.5 210 209 A Q H X S+ 0 0 27 -4,-1.7 4,-2.3 -5,-0.2 3,-0.2 0.986 112.0 44.1 -62.6 -58.3 -16.5 6.1 43.1 211 210 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.896 113.2 53.0 -55.5 -41.5 -15.7 4.8 39.5 212 211 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.897 107.9 50.6 -60.2 -43.4 -12.2 3.8 40.7 213 212 A H 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81.2 66.7 -41.4 -31.0 24.2 -0.3 60.1 660 182 B N X + 0 0 23 -3,-1.7 3,-0.5 -4,-0.2 -1,-0.3 -0.732 61.3 156.3 -92.3 82.1 27.0 2.1 60.9 661 183 B Y T 3 + 0 0 39 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.585 52.7 89.9 -79.6 -11.7 29.8 -0.4 61.3 662 184 B Q T 3 S+ 0 0 41 -3,-0.2 2,-0.2 -4,-0.1 -1,-0.2 0.795 89.0 43.1 -60.8 -32.0 32.3 2.3 60.6 663 185 B E S < S- 0 0 107 -3,-0.5 148,-0.0 -5,-0.1 -3,-0.0 -0.704 83.2-122.9-112.3 167.6 32.7 3.3 64.2 664 186 B D S > S+ 0 0 66 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.728 91.9 76.7 -83.8 -23.0 33.0 1.1 67.3 665 187 B F H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.962 97.6 39.0 -53.5 -68.1 30.0 2.3 69.4 666 188 B A H >>S+ 0 0 7 -6,-0.2 4,-3.2 1,-0.2 5,-0.6 0.911 117.1 48.4 -54.4 -51.2 27.0 0.6 67.6 667 189 B P H >5S+ 0 0 0 0, 0.0 6,-2.1 0, 0.0 4,-0.8 0.860 114.0 48.8 -60.9 -31.2 28.8 -2.7 66.9 668 190 B F H <5S+ 0 0 3 -4,-1.9 4,-0.3 -3,-0.3 -2,-0.2 0.800 122.2 31.5 -74.6 -28.5 29.9 -2.9 70.5 669 191 B T H <5S+ 0 0 2 -4,-1.7 -60,-0.4 -3,-0.4 -58,-0.2 0.777 121.6 44.4-105.8 -37.0 26.5 -2.0 72.1 670 192 B N H <5S+ 0 0 6 -4,-3.2 -2,-0.1 -5,-0.3 -60,-0.1 0.887 140.5 4.1 -63.2 -36.1 24.0 -3.5 69.6 671 193 B S S < - 0 0 163 -2,-0.1 3,-1.7 1,-0.1 5,-0.0 -0.783 41.4 -44.6-137.4-176.1 40.7 -6.3 65.6 677 199 B E T 3 S+ 0 0 187 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.232 120.1 5.4 -57.0 131.9 43.3 -6.1 62.8 678 200 B G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -3,-0.0 2,-0.2 0.461 87.8 147.1 78.6 1.2 42.1 -7.2 59.3 679 201 B D < - 0 0 49 -3,-1.7 2,-1.1 1,-0.1 -1,-0.3 -0.508 53.7-130.1 -67.7 132.6 38.5 -7.7 60.4 680 202 B D > - 0 0 79 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.781 25.4-164.5 -78.4 101.1 36.0 -7.0 57.7 681 203 B R H > S+ 0 0 69 -2,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.852 83.6 48.9 -62.0 -35.9 33.9 -4.8 60.0 682 204 B E H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 109.9 50.3 -70.4 -43.4 30.9 -4.8 57.7 683 205 B A H > S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.897 111.8 47.8 -62.0 -45.1 30.9 -8.6 57.2 684 206 B I H X S+ 0 0 38 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.770 108.7 56.0 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