==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-12 4DWW . COMPND 2 MOLECULE: SUBTILISIN NAT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. NATTO; . AUTHOR T.CHATAKE,Y.YANAGISAWA . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.8 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 5 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 1 A A 0 0 121 0, 0.0 2,-0.4 0, 0.0 79,-0.3 0.000 360.0 360.0 360.0 141.8 27.1 -7.3 -10.8 2 2 A Q - 0 0 52 77,-0.2 2,-0.3 75,-0.1 79,-0.2 -0.824 360.0-156.4-100.0 140.8 27.5 -6.5 -7.1 3 3 A S - 0 0 77 77,-2.9 79,-0.1 -2,-0.4 76,-0.1 -0.868 11.6-141.1-109.3 148.8 29.1 -3.4 -5.8 4 4 A V - 0 0 64 -2,-0.3 5,-0.1 77,-0.2 77,-0.1 -0.941 28.3-129.3-104.8 109.3 30.7 -2.9 -2.4 5 5 A P >> - 0 0 17 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.287 21.0-114.5 -57.2 146.2 29.8 0.6 -1.3 6 6 A Y H 3> S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.814 112.8 62.2 -50.6 -35.8 32.8 2.6 -0.1 7 7 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.839 97.3 55.9 -62.9 -35.3 31.5 2.7 3.4 8 8 A I H <4>S+ 0 0 2 -3,-1.3 5,-2.0 1,-0.2 -1,-0.2 0.914 114.3 40.0 -64.2 -42.6 31.6 -1.1 3.8 9 9 A S H ><5S+ 0 0 61 -4,-1.1 3,-1.8 3,-0.2 -2,-0.2 0.880 108.2 62.2 -70.7 -40.6 35.3 -1.1 2.9 10 10 A Q H 3<5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 105.3 46.0 -58.6 -36.3 36.1 2.0 4.9 11 11 A I T 3<5S- 0 0 0 -4,-1.7 259,-2.3 -5,-0.1 260,-0.6 0.462 116.4-117.1 -85.7 -0.2 35.1 0.4 8.2 12 12 A K T X>5 + 0 0 86 -3,-1.8 3,-0.9 257,-0.2 4,-0.7 0.742 64.2 147.0 72.0 29.5 37.1 -2.7 7.2 13 13 A A H >>< + 0 0 0 -5,-2.0 4,-1.9 1,-0.2 3,-0.9 0.865 63.1 65.9 -62.2 -37.9 34.1 -5.1 7.0 14 14 A P H 3> S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.804 91.1 65.6 -56.7 -26.9 35.6 -7.2 4.2 15 15 A A H <> S+ 0 0 23 -3,-0.9 4,-0.7 1,-0.2 -2,-0.2 0.922 104.8 43.8 -59.7 -43.6 38.4 -8.2 6.6 16 16 A L H X<>S+ 0 0 0 -3,-0.9 5,-2.3 -4,-0.7 3,-0.9 0.907 110.9 53.8 -66.7 -43.1 35.8 -10.1 8.7 17 17 A H H ><5S+ 0 0 36 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.924 104.6 55.7 -57.0 -42.8 34.1 -11.6 5.6 18 18 A S H 3<5S+ 0 0 109 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 104.3 54.8 -62.7 -24.3 37.5 -12.9 4.5 19 19 A Q T <<5S- 0 0 82 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.451 125.6-103.0 -85.7 -4.3 37.7 -14.6 7.9 20 20 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.5 -4,-0.3 -3,-0.2 0.605 83.4 126.7 92.4 13.6 34.3 -16.4 7.2 21 21 A Y < + 0 0 83 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.932 14.5 148.8-112.7 120.8 32.4 -14.0 9.5 22 22 A T S S- 0 0 27 -2,-0.5 65,-3.0 63,-0.1 66,-0.7 0.141 75.5 -82.4-136.8 12.2 29.3 -12.3 8.0 23 23 A G > + 0 0 0 210,-0.3 3,-2.0 64,-0.2 66,-0.5 0.567 63.7 178.4 96.5 12.0 26.9 -11.9 11.0 24 24 A S T 3 + 0 0 54 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.190 67.2 3.7 -53.8 132.3 25.4 -15.4 10.9 25 25 A N T 3 S+ 0 0 144 62,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.358 95.4 129.0 76.4 -4.1 22.8 -16.1 13.6 26 26 A V < - 0 0 8 -3,-2.0 63,-3.0 61,-0.1 2,-0.6 -0.738 53.9-140.1 -86.1 127.8 23.0 -12.5 14.9 27 27 A K E -a 89 0A 72 -2,-0.5 93,-2.4 91,-0.2 94,-2.0 -0.782 20.4-174.1 -95.2 116.2 19.5 -10.9 15.3 28 28 A V E -ab 90 121A 0 61,-3.3 63,-2.4 -2,-0.6 2,-0.6 -0.947 12.3-151.3-116.1 120.9 19.4 -7.3 14.2 29 29 A A E -ab 91 122A 0 92,-3.1 94,-2.7 -2,-0.5 2,-1.0 -0.802 3.1-154.7 -90.6 119.6 16.3 -5.2 14.7 30 30 A V E -ab 92 123A 0 61,-2.9 63,-2.2 -2,-0.6 2,-1.1 -0.832 10.8-164.2 -90.4 99.8 15.8 -2.4 12.2 31 31 A I E +a 93 0A 0 92,-2.0 94,-0.4 -2,-1.0 2,-0.2 -0.769 51.5 84.0 -90.5 97.9 13.7 0.0 14.2 32 32 A D E S-a 94 0A 3 61,-1.9 63,-2.7 -2,-1.1 64,-1.9 -0.633 96.0 -35.5-165.3-149.5 12.4 2.3 11.4 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 61,-0.2 29,-0.4 0.176 95.3 -89.8 -88.4 16.6 9.8 2.6 8.7 34 34 A G - 0 0 0 59,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.346 40.5 -96.8 99.3 173.0 9.7 -1.1 7.9 35 35 A I - 0 0 0 22,-2.2 2,-1.5 30,-0.1 57,-0.1 -0.998 23.3-121.9-132.5 132.7 11.7 -3.2 5.4 36 36 A D > - 0 0 20 -2,-0.4 3,-1.8 1,-0.2 23,-0.2 -0.586 30.2-168.8 -70.6 95.7 10.7 -4.2 1.9 37 37 A S T 3 S+ 0 0 53 -2,-1.5 7,-0.4 21,-1.0 -1,-0.2 0.500 76.5 64.7 -71.0 -5.6 11.0 -7.9 2.6 38 38 A S T 3 + 0 0 91 20,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.487 69.2 124.9 -94.6 -4.8 10.7 -8.8 -1.1 39 39 A H X - 0 0 3 -3,-1.8 3,-2.1 1,-0.2 169,-0.0 -0.321 62.6-137.0 -58.7 128.7 14.0 -7.1 -2.2 40 40 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.756 105.1 51.8 -60.4 -21.8 16.2 -9.5 -4.0 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.5 36,-0.0 2,-0.3 0.273 107.1 63.4 -99.3 13.8 19.2 -8.1 -2.1 42 42 A L < - 0 0 9 -3,-2.1 2,-0.4 32,-0.2 32,-0.1 -0.955 55.8-163.8-133.0 152.4 17.6 -8.6 1.3 43 43 A N - 0 0 78 -2,-0.3 47,-0.7 30,-0.2 2,-0.5 -0.971 13.0-163.9-133.4 120.0 16.3 -11.4 3.5 44 44 A V E -c 90 0A 21 -7,-0.4 47,-0.2 -2,-0.4 3,-0.1 -0.917 8.5-169.9-112.0 126.8 14.0 -10.5 6.4 45 45 A R E - 0 0 129 45,-2.7 2,-0.3 -2,-0.5 46,-0.2 0.736 60.1 -48.9 -88.0 -26.3 13.3 -13.1 9.2 46 46 A G E +c 91 0A 11 44,-0.9 46,-2.6 11,-0.1 2,-0.3 -0.932 58.5 155.2 178.1-162.2 10.5 -11.5 11.1 47 47 A G E -c 92 0A 16 44,-0.3 2,-0.3 -2,-0.3 46,-0.2 -0.921 25.2-125.0 143.1-170.9 9.3 -8.3 12.7 48 48 A A E -c 93 0A 22 44,-2.1 46,-2.4 -2,-0.3 2,-0.4 -0.954 14.1-122.9-169.7 155.7 6.2 -6.3 13.7 49 49 A S E +c 94 0A 29 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.909 19.8 175.0-113.6 140.3 4.5 -3.0 13.2 50 50 A F + 0 0 53 44,-2.9 45,-0.1 -2,-0.4 59,-0.1 0.066 51.2 110.5-126.3 18.3 3.6 -0.5 15.9 51 51 A V B > -J 54 0B 4 3,-0.6 3,-1.8 43,-0.3 45,-0.1 -0.874 60.3-150.3 -98.0 112.1 2.4 2.2 13.5 52 52 A P T 3 S+ 0 0 93 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.847 96.1 45.8 -51.3 -39.9 -1.4 2.5 13.7 53 53 A S T 3 S+ 0 0 90 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.547 114.8 49.1 -82.6 -7.7 -1.7 3.6 10.1 54 54 A E B < +J 51 0B 36 -3,-1.8 -3,-0.6 1,-0.1 -1,-0.2 -0.781 57.6 175.7-139.6 92.9 0.6 1.0 8.7 55 55 A T + 0 0 125 -2,-0.4 -6,-0.3 -3,-0.2 -1,-0.1 0.636 61.2 77.5 -73.0 -18.3 -0.1 -2.6 9.8 56 56 A N > - 0 0 52 1,-0.1 3,-1.3 -8,-0.1 -1,-0.1 -0.843 52.7-171.2-106.1 110.7 2.6 -4.3 7.6 57 57 A P T 3 S+ 0 0 12 0, 0.0 -22,-2.2 0, 0.0 -1,-0.1 0.647 84.9 66.0 -71.4 -12.1 6.2 -4.1 8.8 58 58 A Y T 3 S+ 0 0 77 -24,-0.2 -21,-1.0 -22,-0.1 2,-0.4 0.220 89.7 73.4 -99.4 9.9 7.3 -5.7 5.5 59 59 A Q < - 0 0 123 -3,-1.3 2,-0.5 -23,-0.2 -23,-0.1 -0.991 65.5-163.3-121.3 137.7 6.2 -2.7 3.4 60 60 A D + 0 0 14 -2,-0.4 -26,-0.1 -26,-0.1 -24,-0.1 -0.908 18.4 171.6-130.1 104.2 8.2 0.5 3.5 61 61 A G S S+ 0 0 56 -2,-0.5 -1,-0.1 -28,-0.4 37,-0.1 0.619 82.7 52.4 -86.0 -13.9 6.7 3.7 2.3 62 62 A S S S- 0 0 21 -29,-0.4 -1,-0.2 34,-0.1 36,-0.1 0.868 91.1-142.9 -85.2 -41.2 9.6 5.9 3.5 63 63 A S S > S+ 0 0 16 -30,-0.2 4,-1.9 -29,-0.1 5,-0.1 -0.022 77.5 94.1 97.9 -23.7 12.4 4.0 1.9 64 64 A H H > S+ 0 0 29 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.855 77.4 53.4 -75.8 -35.5 14.8 4.5 4.9 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.7 46.0 -61.0 -41.4 14.1 1.3 6.8 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 142,-0.3 0.889 113.4 49.2 -67.3 -39.0 14.9 -0.6 3.6 67 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 141,-0.4 0.940 112.5 46.8 -66.1 -49.1 18.0 1.5 3.0 68 68 A V H X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.891 109.3 55.9 -58.7 -42.7 19.3 1.1 6.5 69 69 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.865 105.2 52.7 -58.7 -37.3 18.6 -2.7 6.3 70 70 A G H X S+ 0 0 1 -4,-1.5 4,-2.2 138,-0.3 -1,-0.2 0.846 106.5 50.9 -70.5 -35.3 20.8 -2.9 3.2 71 71 A T H < S+ 0 0 4 -4,-1.5 13,-2.6 2,-0.2 -1,-0.2 0.869 116.1 43.9 -68.3 -36.1 23.8 -1.2 4.8 72 72 A I H < S- 0 0 0 -4,-1.8 13,-3.1 11,-0.2 -2,-0.2 0.930 139.8 -6.8 -71.3 -46.1 23.5 -3.7 7.7 73 73 A A H < + 0 0 2 -4,-2.7 -30,-0.2 10,-0.2 -3,-0.2 0.053 66.5 162.9-153.0 32.1 22.9 -6.8 5.7 74 74 A A < - 0 0 0 -4,-2.2 9,-2.6 1,-0.1 -32,-0.2 -0.386 54.7 -98.5 -57.1 136.3 22.5 -6.6 1.9 75 75 A L - 0 0 49 -34,-2.5 2,-0.8 7,-0.2 4,-0.2 -0.186 24.4-119.5 -67.3 148.3 23.1 -10.1 0.7 76 76 A N + 0 0 106 10,-0.3 2,-0.2 6,-0.1 -1,-0.1 -0.812 69.5 103.0 -86.4 111.5 26.4 -11.3 -0.8 77 77 A N S S- 0 0 59 -2,-0.8 -75,-0.1 2,-0.3 -36,-0.0 -0.787 86.4 -62.8-163.4-157.9 25.5 -12.4 -4.3 78 78 A S S S+ 0 0 88 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.243 104.6 60.7 -94.2 14.7 25.8 -11.2 -8.0 79 79 A I S S- 0 0 57 2,-0.2 -2,-0.3 -4,-0.2 -77,-0.2 -0.875 91.3 -12.6-139.1 163.8 23.6 -8.2 -7.6 80 80 A G S S- 0 0 14 -79,-0.3 -77,-2.9 -2,-0.3 2,-0.1 -0.122 93.4 -35.2 56.6-127.9 23.1 -4.8 -5.9 81 81 A V - 0 0 7 -79,-0.2 2,-0.4 -77,-0.1 -4,-0.3 -0.416 52.8-112.9-119.6-166.1 25.3 -3.9 -2.9 82 82 A L - 0 0 11 -2,-0.1 -7,-0.2 -6,-0.1 -74,-0.1 -0.987 22.3-137.2-140.8 130.4 26.8 -5.7 0.1 83 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.4 -10,-0.2 -0.311 24.1-116.8 -81.0 163.7 26.0 -5.2 3.8 84 84 A V S S+ 0 0 0 -13,-2.6 -11,-0.2 1,-0.3 -12,-0.2 0.897 118.7 23.0 -61.5 -37.2 28.4 -5.0 6.6 85 85 A A S > S+ 0 0 0 -13,-3.1 3,-2.0 -14,-0.2 -1,-0.3 -0.689 75.7 175.7-131.9 74.4 26.9 -8.2 8.0 86 86 A P T 3 S+ 0 0 5 0, 0.0 -10,-0.3 0, 0.0 -63,-0.2 0.570 79.7 47.6 -67.3 -13.1 25.4 -9.9 4.9 87 87 A S T 3 S+ 0 0 46 -65,-3.0 -62,-0.6 -12,-0.1 -64,-0.2 0.400 84.7 123.7-101.9 -1.2 24.4 -13.1 6.8 88 88 A A < - 0 0 6 -3,-2.0 2,-0.8 -66,-0.7 -64,-0.2 -0.185 69.7-110.9 -60.9 151.0 22.8 -11.3 9.7 89 89 A S E -a 27 0A 9 -63,-3.0 -61,-3.3 -66,-0.5 2,-0.3 -0.761 36.3-153.2 -85.9 110.1 19.2 -12.0 10.7 90 90 A L E -ac 28 44A 1 -2,-0.8 -45,-2.7 -47,-0.7 -44,-0.9 -0.668 11.0-168.8 -87.5 135.4 17.1 -8.9 9.9 91 91 A Y E -ac 29 46A 37 -63,-2.4 -61,-2.9 -2,-0.3 2,-1.0 -0.987 17.6-139.5-122.4 129.5 13.9 -8.0 11.7 92 92 A A E -ac 30 47A 0 -46,-2.6 -44,-2.1 -2,-0.4 2,-0.8 -0.778 21.9-179.2 -91.0 104.3 11.6 -5.3 10.5 93 93 A V E -ac 31 48A 0 -63,-2.2 -61,-1.9 -2,-1.0 2,-0.7 -0.858 14.3-157.2-106.4 95.0 10.5 -3.4 13.5 94 94 A K E +ac 32 49A 4 -46,-2.4 -44,-2.9 -2,-0.8 -43,-0.3 -0.664 39.2 138.6 -85.0 113.7 8.2 -0.7 12.1 95 95 A V + 0 0 0 -63,-2.7 2,-0.4 -2,-0.7 8,-0.2 0.357 60.5 66.6-128.6 -5.1 7.8 2.3 14.4 96 96 A L S S- 0 0 11 -64,-1.9 6,-0.2 6,-0.1 -34,-0.1 -0.933 74.0-136.7-117.7 144.7 7.9 5.1 11.8 97 97 A D > - 0 0 29 4,-3.0 3,-2.1 -2,-0.4 -2,-0.1 -0.141 44.9 -78.1 -87.1-169.6 5.3 5.7 9.1 98 98 A S T 3 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.1 -65,-0.1 0.604 130.2 60.3 -70.7 -9.3 6.0 6.5 5.4 99 99 A T T 3 S- 0 0 97 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.412 117.8-111.9 -92.1 0.2 6.8 10.1 6.3 100 100 A G S < S+ 0 0 35 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.672 79.6 124.4 77.4 18.0 9.6 8.9 8.6 101 101 A S + 0 0 63 25,-0.1 -4,-3.0 -68,-0.0 2,-0.3 -0.792 30.9 163.6-112.8 152.9 7.7 10.0 11.6 102 102 A G - 0 0 25 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.985 35.3-109.4-161.0 155.4 6.5 8.2 14.7 103 103 A Q > - 0 0 117 -2,-0.3 4,-2.3 -8,-0.2 3,-0.4 -0.584 31.4-121.6 -80.5 149.5 5.3 8.6 18.3 104 104 A Y H > S+ 0 0 62 1,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.854 114.5 60.7 -59.0 -33.1 7.6 7.7 21.1 105 105 A S H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 106.9 44.8 -59.0 -42.3 4.9 5.3 22.3 106 106 A W H > S+ 0 0 51 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.928 114.4 48.3 -66.8 -45.9 5.2 3.4 18.9 107 107 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.937 111.3 51.0 -59.7 -46.1 9.0 3.5 19.1 108 108 A I H X S+ 0 0 25 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.900 107.5 52.6 -58.7 -43.4 8.9 2.3 22.7 109 109 A N H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.870 109.1 51.3 -60.2 -36.5 6.6 -0.6 21.6 110 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 109.8 47.2 -66.6 -45.7 9.2 -1.5 19.0 111 111 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 111.1 53.1 -62.4 -42.8 12.1 -1.5 21.5 112 112 A E H X S+ 0 0 66 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.903 108.3 50.4 -56.1 -42.9 9.9 -3.6 23.8 113 113 A W H X S+ 0 0 40 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.915 108.0 52.8 -62.4 -42.3 9.4 -6.1 20.9 114 114 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -2,-0.2 0.908 112.1 46.0 -60.2 -42.1 13.1 -6.2 20.3 115 115 A I H ><5S+ 0 0 27 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.960 113.0 46.8 -64.0 -52.7 13.7 -7.1 23.9 116 116 A S H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.667 114.0 50.4 -69.8 -15.1 11.0 -9.7 24.2 117 117 A N T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.215 112.8-120.3-104.5 11.4 12.2 -11.3 21.0 118 118 A N T < 5 - 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