==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SOLUTE-BINDING PROTEIN 11-SEP-13 4MO9 . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VEILLONELLA PARVULA; . AUTHOR Y.KIM,R.WU,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.2 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 . 1 0.3 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 . 1 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 2 1 2 1 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 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 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 18 A P 0 0 144 0, 0.0 2,-0.5 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 125.2 22.0 69.3 16.9 2 19 A I E -A 14 0A 31 12,-3.3 12,-2.6 14,-0.1 2,-0.6 -0.868 360.0-156.1-105.9 123.8 21.7 67.8 13.3 3 20 A E E -A 13 0A 117 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.867 15.1-173.9-102.2 119.1 23.8 64.8 12.3 4 21 A I E -A 12 0A 1 8,-3.5 8,-3.5 -2,-0.6 2,-0.6 -0.894 17.1-151.0-113.5 137.0 24.4 64.5 8.6 5 22 A T E -A 11 0A 51 -2,-0.4 6,-0.2 6,-0.2 138,-0.1 -0.946 22.8-149.7-103.8 119.3 26.0 61.7 6.7 6 23 A D > - 0 0 1 4,-2.5 3,-1.9 -2,-0.6 121,-0.2 -0.189 33.0 -89.7 -85.3 179.1 27.7 62.9 3.6 7 24 A V T 3 S+ 0 0 31 119,-2.1 120,-0.1 1,-0.3 -1,-0.1 0.686 127.1 49.7 -65.0 -16.5 28.2 61.1 0.3 8 25 A T T 3 S- 0 0 67 118,-0.2 -1,-0.3 2,-0.1 119,-0.1 0.436 123.5-100.3 -99.7 -1.4 31.6 59.8 1.5 9 26 A G S < S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.522 70.1 151.6 96.0 6.9 30.3 58.5 4.8 10 27 A R - 0 0 72 116,-0.1 -4,-2.5 1,-0.1 2,-0.8 -0.544 43.9-134.0 -75.8 134.6 31.5 61.4 6.9 11 28 A T E -A 5 0A 86 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.794 29.2-175.4 -88.1 111.9 29.5 62.2 10.0 12 29 A V E -A 4 0A 4 -8,-3.5 -8,-3.5 -2,-0.8 2,-0.5 -0.921 8.8-155.5-116.5 130.5 29.0 66.0 10.0 13 30 A T E -A 3 0A 75 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.910 7.8-172.1-113.9 127.3 27.3 67.8 12.9 14 31 A L E -A 2 0A 10 -12,-2.6 -12,-3.3 -2,-0.5 84,-0.0 -0.907 23.8-142.5-112.1 145.5 25.5 71.2 12.7 15 32 A K S S- 0 0 196 -2,-0.4 -1,-0.1 -14,-0.2 -12,-0.1 0.774 86.3 -13.5 -71.4 -27.2 24.2 73.1 15.7 16 33 A K S S- 0 0 112 -14,-0.1 -1,-0.2 -15,-0.1 3,-0.1 -0.941 101.5 -52.0-164.4 169.1 21.1 74.2 13.7 17 34 A P - 0 0 60 0, 0.0 131,-0.2 0, 0.0 130,-0.1 -0.270 67.0-101.1 -57.3 140.4 19.9 74.3 10.1 18 35 A A + 0 0 3 129,-3.2 3,-0.1 1,-0.1 29,-0.0 -0.330 50.2 158.6 -60.4 136.5 22.4 75.9 7.7 19 36 A E + 0 0 95 -3,-0.1 -1,-0.1 1,-0.1 129,-0.0 0.285 66.5 57.5-142.8 8.6 21.5 79.5 6.7 20 37 A R S S+ 0 0 108 27,-0.1 77,-2.0 28,-0.1 78,-0.8 -0.493 71.2 169.8-136.0 65.9 24.9 80.8 5.6 21 38 A V E -bc 47 98B 0 25,-3.2 27,-2.6 75,-0.2 28,-2.1 -0.511 27.7-145.1 -79.8 141.4 26.0 78.5 2.8 22 39 A V E -bc 49 99B 1 76,-1.8 78,-0.7 26,-0.2 2,-0.2 -0.958 24.8-140.9-102.2 119.3 29.0 79.2 0.6 23 40 A L - 0 0 0 26,-2.9 2,-0.3 -2,-0.6 55,-0.1 -0.531 20.9-178.4 -81.1 145.1 28.2 77.9 -3.0 24 41 A Q + 0 0 0 76,-0.2 8,-0.4 -2,-0.2 4,-0.1 -0.980 66.1 7.4-135.3 151.3 30.7 76.2 -5.3 25 42 A W S > >S- 0 0 63 -2,-0.3 3,-2.4 1,-0.2 5,-2.1 0.828 77.6-163.9 49.6 44.7 30.2 74.9 -8.9 26 43 A S T 3 5S+ 0 0 0 1,-0.3 -1,-0.2 3,-0.2 24,-0.0 -0.341 74.5 9.6 -60.4 129.7 26.7 76.4 -9.2 27 44 A G T 3 5S+ 0 0 2 3,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.539 119.6 80.0 78.1 5.6 24.8 74.8 -12.1 28 45 A A T < 5S- 0 0 9 -3,-2.4 -2,-0.1 -4,-0.1 272,-0.1 -0.132 124.3 -64.1-137.5 39.6 27.6 72.2 -12.4 29 46 A G T 5S+ 0 0 0 1,-0.4 100,-0.4 269,-0.1 101,-0.2 0.412 100.4 119.6 92.1 -4.2 26.9 69.6 -9.7 30 47 A G S S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 3,-0.3 0.600 95.8 101.8 -76.3 -9.6 24.4 72.4 -4.4 32 49 A F H > S+ 0 0 0 -8,-0.4 4,-2.7 1,-0.3 5,-0.2 0.838 85.8 39.8 -45.4 -55.6 22.8 75.4 -6.1 33 50 A F H > S+ 0 0 1 -3,-0.5 4,-2.1 2,-0.2 -1,-0.3 0.887 117.9 49.9 -65.4 -37.9 20.0 73.7 -8.0 34 51 A T H > S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.944 111.8 48.0 -62.8 -46.2 19.3 71.4 -5.1 35 52 A I H X S+ 0 0 1 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.931 111.8 49.5 -61.0 -43.5 19.2 74.3 -2.6 36 53 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.889 110.2 51.6 -62.6 -38.4 16.9 76.2 -4.9 37 54 A A H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.813 115.8 41.6 -68.3 -29.6 14.6 73.2 -5.2 38 55 A L H < S+ 0 0 2 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.866 124.8 32.6 -82.8 -40.6 14.5 72.8 -1.4 39 56 A X H >< S- 0 0 26 -4,-3.0 3,-2.1 1,-0.2 -3,-0.2 0.689 79.8-178.0 -95.6 -21.0 14.1 76.5 -0.4 40 57 A G G >< S+ 0 0 11 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.2 -0.349 75.9 0.4 57.3-128.6 12.1 77.9 -3.3 41 58 A K G 3 S+ 0 0 174 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.697 131.4 63.6 -65.6 -19.6 11.6 81.6 -2.9 42 59 A D G X S+ 0 0 69 -3,-2.1 3,-1.2 1,-0.2 4,-0.3 0.352 70.0 111.1 -85.4 4.5 13.5 81.5 0.4 43 60 A T G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.3 0.868 72.6 51.4 -47.4 -48.9 16.7 80.5 -1.5 44 61 A P G > S+ 0 0 16 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.791 96.5 71.5 -65.2 -22.4 18.6 83.8 -1.0 45 62 A K G < S+ 0 0 128 -3,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.543 103.0 40.7 -70.1 -7.7 18.0 83.6 2.8 46 63 A V G < S+ 0 0 9 -3,-1.5 -25,-3.2 -4,-0.3 2,-0.6 0.365 94.1 92.3-118.8 1.1 20.4 80.7 3.3 47 64 A I E < +b 21 0B 12 -3,-1.1 -25,-0.2 -4,-0.3 3,-0.1 -0.883 36.4 169.3-105.8 119.8 23.3 81.7 1.0 48 65 A A E S+ 0 0 6 -27,-2.6 2,-0.4 -2,-0.6 -26,-0.2 0.722 73.0 31.4 -94.6 -28.1 26.2 83.7 2.5 49 66 A G E -b 22 0B 0 -28,-2.1 -26,-2.9 26,-0.1 2,-0.5 -0.984 65.9-157.2-140.4 127.5 28.5 83.4 -0.5 50 67 A X B -e 77 0C 1 26,-2.9 28,-2.8 -2,-0.4 2,-0.1 -0.869 13.1-145.3-105.5 126.6 27.8 83.2 -4.2 51 68 A D - 0 0 0 -2,-0.5 4,-0.3 26,-0.2 3,-0.2 -0.289 17.4-124.6 -80.0 176.1 30.3 81.6 -6.6 52 69 A T S > S+ 0 0 29 26,-0.4 4,-2.7 1,-0.1 5,-0.3 0.244 78.2 108.3-108.6 11.1 30.7 82.9 -10.2 53 70 A S H >>S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.5 0.918 84.3 41.7 -54.0 -49.8 30.1 79.6 -12.0 54 71 A L H >5S+ 0 0 0 1,-0.2 4,-2.2 3,-0.2 8,-0.4 0.965 115.9 49.4 -63.6 -52.5 26.7 80.6 -13.4 55 72 A Q H 45S+ 0 0 41 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.856 121.6 34.2 -53.3 -39.8 27.8 84.2 -14.3 56 73 A D H <5S+ 0 0 101 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.823 134.1 18.2 -89.7 -34.6 30.9 82.9 -16.1 57 74 A Y H <5S+ 0 0 142 -4,-2.6 -3,-0.2 -5,-0.3 189,-0.2 0.505 132.9 32.8-122.0 -10.0 29.9 79.6 -17.7 58 75 A R >X< + 0 0 39 -4,-2.2 4,-1.9 -5,-0.5 3,-0.9 -0.326 66.1 154.7-142.2 52.8 26.1 79.6 -17.8 59 76 A A H 3> + 0 0 28 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.766 69.3 61.4 -63.5 -27.3 25.2 83.3 -18.2 60 77 A D H 3> S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.915 107.7 45.1 -65.8 -38.3 21.9 82.6 -19.8 61 78 A X H <> S+ 0 0 2 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.917 110.6 54.6 -66.8 -43.2 20.8 80.8 -16.6 62 79 A W H X S+ 0 0 41 -4,-1.9 4,-2.4 -8,-0.4 5,-0.2 0.905 109.8 46.5 -56.4 -44.2 22.3 83.7 -14.5 63 80 A K H X S+ 0 0 83 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 115.3 46.1 -63.8 -45.3 20.2 86.3 -16.4 64 81 A H H X S+ 0 0 32 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.942 116.3 43.9 -64.3 -47.1 17.0 84.2 -16.2 65 82 A F H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.910 114.8 47.5 -68.7 -42.9 17.4 83.4 -12.5 66 83 A T H < S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.834 106.7 59.1 -69.3 -30.5 18.4 87.0 -11.4 67 84 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.902 116.9 32.5 -61.1 -40.5 15.6 88.4 -13.4 68 85 A E H < S+ 0 0 81 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.692 134.8 28.6 -92.0 -21.0 13.1 86.4 -11.3 69 86 A X >< + 0 0 13 -4,-2.1 3,-2.2 -5,-0.2 4,-0.3 -0.605 67.6 174.1-138.6 71.9 15.1 86.5 -8.1 70 87 A P G > S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.700 70.0 75.8 -59.6 -20.5 17.2 89.7 -8.1 71 88 A E G > S+ 0 0 101 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.699 80.5 72.7 -64.2 -18.3 18.4 89.1 -4.6 72 89 A L G X S+ 0 0 1 -3,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.851 93.1 53.3 -63.4 -34.0 20.8 86.5 -6.0 73 90 A A G < S+ 0 0 63 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.474 102.7 60.0 -81.8 -2.8 22.9 89.3 -7.5 74 91 A K G < S+ 0 0 171 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.518 78.6 105.4 -99.1 -11.0 23.2 91.0 -4.1 75 92 A I S < S- 0 0 15 -3,-0.8 -26,-0.1 -4,-0.5 -27,-0.1 -0.548 86.8 -97.1 -73.4 133.0 24.9 88.1 -2.3 76 93 A P - 0 0 66 0, 0.0 -26,-2.9 0, 0.0 2,-0.3 -0.207 43.1-122.9 -48.4 135.8 28.6 88.6 -1.7 77 94 A V B -e 50 0C 78 -28,-0.2 2,-0.3 -4,-0.1 -26,-0.2 -0.635 26.9-167.1 -87.7 139.9 30.7 86.9 -4.4 78 95 A V - 0 0 2 -28,-2.8 -26,-0.4 -2,-0.3 8,-0.1 -0.908 21.9-109.6-121.8 157.1 33.4 84.2 -3.6 79 96 A G - 0 0 10 6,-0.3 2,-0.4 -2,-0.3 7,-0.2 -0.044 35.0-105.1 -70.0-178.7 36.1 82.7 -5.7 80 97 A T > - 0 0 13 -29,-0.1 3,-2.0 -56,-0.1 6,-0.6 -0.939 31.7-109.0-114.4 133.8 36.1 79.1 -6.9 81 98 A I T 3 S+ 0 0 5 -2,-0.4 3,-0.1 1,-0.3 28,-0.1 -0.356 107.1 27.9 -55.3 131.4 38.3 76.3 -5.4 82 99 A G T 3 S+ 0 0 36 1,-0.6 -1,-0.3 26,-0.2 2,-0.2 0.193 104.7 93.9 97.1 -18.1 41.1 75.4 -7.9 83 100 A D S X S- 0 0 71 -3,-2.0 3,-0.6 1,-0.0 -1,-0.6 -0.540 86.9-120.7 -89.6 170.5 41.1 78.8 -9.4 84 101 A K T 3 S+ 0 0 211 1,-0.2 -3,-0.1 -2,-0.2 -1,-0.0 0.204 106.8 77.9 -94.3 14.5 43.5 81.5 -8.2 85 102 A T T 3 + 0 0 85 -5,-0.4 2,-0.5 -7,-0.0 -6,-0.3 0.554 67.3 100.6 -95.2 -15.7 40.3 83.5 -7.5 86 103 A F < - 0 0 34 -6,-0.6 2,-0.5 -3,-0.6 -4,-0.1 -0.643 49.7-175.4 -78.2 124.0 39.5 81.6 -4.3 87 104 A N > - 0 0 80 -2,-0.5 4,-1.8 1,-0.1 3,-0.4 -0.951 12.2-162.8-122.2 106.9 40.5 83.5 -1.2 88 105 A A H > S+ 0 0 9 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.873 90.5 52.7 -58.9 -41.6 40.0 81.5 2.0 89 106 A E H > S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.847 107.2 52.7 -63.7 -35.6 40.2 84.6 4.3 90 107 A Q H 4 S+ 0 0 66 -3,-0.4 4,-0.2 2,-0.2 -1,-0.2 0.891 112.1 46.0 -67.1 -38.1 37.5 86.4 2.2 91 108 A V H >< S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.945 110.1 51.8 -69.6 -48.8 35.2 83.4 2.6 92 109 A V H >< S+ 0 0 45 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.841 101.7 64.2 -53.7 -34.4 35.9 83.0 6.4 93 110 A A T 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.606 90.8 64.6 -69.7 -11.9 35.0 86.7 6.6 94 111 A L T < S- 0 0 22 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.438 102.8-133.1 -85.9 -0.4 31.4 85.8 5.5 95 112 A N < - 0 0 123 -3,-1.9 -3,-0.1 -4,-0.1 -2,-0.1 0.899 37.8-177.5 45.6 52.7 30.9 83.8 8.7 96 113 A P - 0 0 12 0, 0.0 -75,-0.2 0, 0.0 3,-0.1 -0.282 26.0-155.7 -76.6 165.3 29.5 80.8 6.7 97 114 A D S S+ 0 0 35 -77,-2.0 26,-2.3 1,-0.3 2,-0.3 0.708 71.6 14.0-109.3 -31.1 28.2 77.7 8.5 98 115 A V E -cd 21 123B 0 -78,-0.8 -76,-1.8 24,-0.2 2,-0.4 -1.000 51.2-164.4-146.1 145.6 28.5 75.1 5.7 99 116 A I E -cd 22 124B 2 24,-2.3 26,-2.1 -2,-0.3 2,-0.5 -1.000 16.6-146.7-125.5 129.1 30.1 74.6 2.3 100 117 A F E - d 0 125B 0 -78,-0.7 -76,-0.2 -2,-0.4 26,-0.2 -0.847 18.2-168.6 -93.7 129.1 29.0 71.8 0.0 101 118 A I E - d 0 126B 0 24,-2.0 26,-1.8 -2,-0.5 5,-0.1 -0.964 19.3-128.2-124.2 122.2 31.8 70.3 -2.1 102 119 A P E >> - d 0 127B 0 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.371 24.2-121.9 -61.7 144.5 31.5 67.9 -5.0 103 120 A V H >> S+ 0 0 42 24,-2.2 3,-1.0 1,-0.3 4,-0.6 0.863 114.2 61.5 -53.3 -38.1 33.6 64.8 -4.7 104 121 A D H 34 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.697 111.4 40.2 -63.2 -16.1 35.3 65.8 -8.0 105 122 A L H <> S+ 0 0 8 -3,-1.9 4,-2.6 2,-0.1 -1,-0.3 0.458 91.8 94.2-107.3 -6.4 36.4 68.9 -6.3 106 123 A K H S+ 0 0 86 2,-0.2 4,-2.5 -4,-0.2 5,-0.3 0.913 114.6 51.3 -63.2 -43.5 41.6 70.2 -4.5 109 126 A Y H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-2.2 0.952 111.1 47.0 -59.3 -49.8 39.4 71.5 -1.7 110 127 A E H <5S+ 0 0 78 -4,-3.2 5,-0.4 1,-0.2 -1,-0.2 0.826 116.1 46.2 -64.4 -30.3 41.3 69.4 0.9 111 128 A S H <5S+ 0 0 96 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.876 124.8 26.8 -77.3 -38.2 44.6 70.5 -0.4 112 129 A D H <5S- 0 0 84 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.802 134.4 -0.0 -98.3 -35.0 43.9 74.3 -0.7 113 130 A A T >X5S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.3 3,-1.0 0.649 94.5 90.5-135.4 -32.4 41.3 75.4 1.8 114 131 A K H 3> S+ 0 0 75 -5,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.899 111.9 46.2 -57.8 -38.0 42.3 73.3 6.9 116 133 A K H <> S+ 0 0 100 -3,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.875 112.5 49.1 -72.8 -35.7 41.4 76.9 6.9 117 134 A X H <>S+ 0 0 1 -4,-2.1 5,-2.6 2,-0.2 4,-0.4 0.932 112.9 48.3 -66.5 -45.4 37.6 76.1 6.8 118 135 A D H ><5S+ 0 0 78 -4,-3.4 3,-1.8 1,-0.2 -2,-0.2 0.937 108.4 53.6 -57.8 -51.2 38.1 73.7 9.7 119 136 A A H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.3 49.9 -54.0 -32.6 40.1 76.3 11.7 120 137 A A T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.450 117.9-111.0 -88.9 -3.4 37.3 78.7 11.3 121 138 A G T < 5 + 0 0 51 -3,-1.8 2,-0.4 -4,-0.4 -3,-0.2 0.665 67.0 147.3 84.0 17.0 34.6 76.3 12.5 122 139 A I < - 0 0 5 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.733 43.2-130.0 -89.4 132.9 33.0 75.9 9.0 123 140 A Q E -d 98 0B 65 -26,-2.3 -24,-2.3 -2,-0.4 2,-0.4 -0.563 12.2-147.6 -85.9 144.8 31.5 72.5 8.2 124 141 A T E -d 99 0B 1 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.924 12.2-174.3-110.0 133.4 32.2 70.6 5.0 125 142 A I E -d 100 0B 0 -26,-2.1 -24,-2.0 -2,-0.4 2,-0.3 -0.967 15.3-146.1-126.8 115.1 29.6 68.3 3.4 126 143 A Y E +d 101 0B 0 -2,-0.5 -119,-2.1 -26,-0.2 2,-0.3 -0.613 20.0 177.9 -83.0 139.8 30.6 66.3 0.4 127 144 A I E -d 102 0B 0 -26,-1.8 -24,-2.2 -2,-0.3 2,-0.2 -0.861 12.3-159.8-132.2 166.5 28.1 65.6 -2.4 128 145 A D + 0 0 20 8,-0.5 5,-0.3 -2,-0.3 12,-0.2 -0.572 31.7 148.1-159.0 87.8 28.4 63.7 -5.7 129 146 A Y S > S+ 0 0 0 -100,-0.4 3,-0.8 170,-0.2 170,-0.3 0.600 73.8 74.0 -86.4 -14.2 26.1 64.1 -8.7 130 147 A H T 3 S+ 0 0 46 1,-0.2 73,-0.2 169,-0.2 -1,-0.1 0.768 83.3 65.6 -74.6 -24.0 29.1 63.4 -11.0 131 148 A A T 3 S- 0 0 34 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.810 90.7-147.6 -63.7 -29.3 29.1 59.7 -10.2 132 149 A E < + 0 0 12 -3,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.906 48.6 138.7 54.6 45.1 25.7 59.3 -11.8 133 150 A K > - 0 0 137 -5,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.965 59.4-130.4-115.1 139.3 24.8 56.5 -9.4 134 151 A L H > S+ 0 0 49 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.912 107.1 50.1 -51.4 -51.1 21.4 56.3 -7.8 135 152 A E H > S+ 0 0 141 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 110.0 50.9 -59.3 -38.5 22.7 56.0 -4.2 136 153 A S H > S+ 0 0 17 -3,-0.3 4,-2.2 2,-0.2 -8,-0.5 0.894 112.0 46.5 -67.1 -40.9 25.0 59.0 -4.6 137 154 A H H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.942 114.9 47.3 -64.2 -47.9 22.2 61.2 -5.9 138 155 A Q H X S+ 0 0 59 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.912 114.6 45.4 -58.7 -45.2 19.9 60.1 -3.2 139 156 A K H X S+ 0 0 60 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.892 113.2 51.1 -70.5 -35.6 22.5 60.5 -0.4 140 157 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.948 112.7 44.6 -64.8 -49.8 23.5 63.9 -1.9 141 158 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 115.2 49.6 -57.1 -45.4 19.9 65.2 -2.0 142 159 A E H X S+ 0 0 92 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.913 110.8 48.9 -64.2 -41.9 19.3 63.8 1.5 143 160 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.906 112.8 46.3 -66.4 -43.0 22.4 65.4 3.0 144 161 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.922 114.4 49.0 -66.4 -43.7 21.7 68.9 1.5 145 162 A G H X>S+ 0 0 0 -4,-2.4 5,-3.3 -5,-0.2 4,-0.5 0.915 111.7 47.2 -60.5 -45.1 18.1 68.7 2.7 146 163 A K H ><5S+ 0 0 64 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.899 109.6 54.3 -67.7 -37.2 19.0 67.6 6.2 147 164 A A H 3<5S+ 0 0 0 -4,-2.2 -129,-3.2 1,-0.2 -1,-0.2 0.858 113.2 43.5 -60.0 -35.8 21.6 70.4 6.5 148 165 A L H 3<5S- 0 0 10 -4,-1.6 -1,-0.2 -131,-0.2 -2,-0.2 0.453 115.3-112.5 -90.1 -1.4 18.9 72.9 5.5 149 166 A G T <<5S+ 0 0 41 -3,-1.0 -3,-0.2 -4,-0.5 3,-0.1 0.811 86.8 115.9 69.5 29.8 16.2 71.5 7.8 150 167 A K >< + 0 0 68 -5,-3.3 4,-2.3 -6,-0.2 -4,-0.2 -0.323 22.7 142.8-123.7 50.1 14.2 70.4 4.7 151 168 A E H > S+ 0 0 117 -6,-0.2 4,-2.0 1,-0.2 -5,-0.1 0.858 71.3 50.5 -60.1 -40.5 14.2 66.6 5.1 152 169 A E H > S+ 0 0 167 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.8 44.5 -66.9 -45.5 10.6 66.1 3.9 153 170 A R H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 110.5 55.8 -67.3 -36.1 11.0 68.1 0.7 154 171 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.912 105.0 53.9 -58.5 -42.7 14.4 66.4 0.1 155 172 A A H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.884 107.5 50.0 -59.0 -39.9 12.4 63.1 0.3 156 173 A E H X S+ 0 0 91 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.905 112.2 47.2 -64.1 -41.9 10.0 64.3 -2.4 157 174 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 112.1 50.0 -67.9 -42.1 12.9 65.3 -4.7 158 175 A S H X S+ 0 0 22 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.878 112.7 46.6 -62.1 -40.7 14.7 62.0 -4.1 159 176 A K H X S+ 0 0 141 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.890 109.8 53.6 -71.7 -38.5 11.6 60.0 -4.9 160 177 A F H X S+ 0 0 11 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.926 115.6 40.7 -56.2 -47.0 10.9 62.2 -8.0 161 178 A Y H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.920 117.0 48.5 -67.0 -46.6 14.5 61.4 -9.2 162 179 A T H X S+ 0 0 27 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.877 104.4 58.0 -65.3 -44.3 14.3 57.7 -8.1 163 180 A N H X S+ 0 0 88 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.909 115.6 37.8 -49.1 -44.5 10.9 57.0 -9.7 164 181 A R H X S+ 0 0 32 -4,-1.1 4,-1.9 -5,-0.2 -2,-0.2 0.911 115.4 46.8 -83.8 -44.2 12.3 58.0 -13.1 165 182 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.908 112.8 50.8 -68.9 -37.9 15.9 56.7 -13.1 166 183 A T H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.873 106.6 54.3 -67.2 -37.3 14.9 53.3 -11.8 167 184 A R H X S+ 0 0 98 -4,-1.2 4,-2.1 -5,-0.3 5,-0.2 0.947 114.3 42.9 -57.6 -47.8 12.2 52.9 -14.5 168 185 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.961 117.0 43.8 -61.0 -55.0 14.9 53.6 -17.1 169 186 A L H X S+ 0 0 49 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.892 116.0 47.6 -65.3 -40.9 17.7 51.4 -15.6 170 187 A D H X S+ 0 0 83 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.939 114.6 45.2 -61.7 -49.1 15.4 48.5 -14.8 171 188 A R H >X S+ 0 0 69 -4,-2.1 3,-1.2 -5,-0.3 4,-0.6 0.931 111.0 53.3 -65.9 -42.9 13.8 48.5 -18.3 172 189 A V H >< S+ 0 0 16 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.895 104.3 56.9 -55.5 -41.6 17.1 48.9 -20.0 173 190 A S H 3< S+ 0 0 81 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.723 108.3 47.7 -64.7 -21.5 18.5 45.8 -18.2 174 191 A K H << S+ 0 0 134 -3,-1.2 2,-0.6 -4,-0.8 -1,-0.3 0.460 86.0 100.4-102.5 -2.4 15.6 43.7 -19.6 175 192 A I << + 0 0 22 -3,-1.2 140,-0.0 -4,-0.6 -4,-0.0 -0.769 43.1 176.7 -82.5 122.3 15.9 44.8 -23.2 176 193 A N + 0 0 153 -2,-0.6 -1,-0.1 2,-0.0 3,-0.1 0.367 40.4 114.0-108.9 0.1 17.8 42.1 -25.1 177 194 A K S S- 0 0 108 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.211 84.1 -75.4 -62.6 161.6 17.6 43.7 -28.6 178 195 A P - 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