==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 05-FEB-88 1L11 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,K.WILSON,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.3 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 . 2 1.2 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 . 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.8 37.0 -23.6 8.9 2 2 A N > - 0 0 70 95,-0.0 4,-2.5 1,-0.0 3,-0.4 -0.849 360.0 -88.3-137.9 174.7 34.9 -21.1 10.9 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.823 123.2 51.6 -54.5 -41.2 34.5 -17.3 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 112.3 44.3 -64.1 -44.1 37.1 -17.2 14.1 5 5 A E H > S+ 0 0 86 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.866 113.5 52.5 -67.4 -37.7 39.7 -19.0 12.1 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.939 112.4 43.3 -64.6 -49.6 39.0 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.818 108.5 58.3 -68.1 -28.1 39.4 -13.6 10.9 8 8 A R H X S+ 0 0 95 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.888 105.7 49.3 -75.1 -22.2 42.4 -14.7 12.6 9 9 A I H < S+ 0 0 58 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.926 116.1 44.2 -73.2 -44.4 44.0 -15.4 9.3 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.792 124.6 30.2 -72.1 -32.3 43.0 -12.0 8.0 11 11 A E H < S- 0 0 35 -4,-2.3 19,-0.3 -5,-0.1 -3,-0.2 0.737 90.2-151.8-102.9 -30.7 43.9 -9.9 11.1 12 12 A G < - 0 0 19 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.224 24.7 -85.7 80.3-176.3 46.8 -11.7 12.7 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.980 43.4 171.5-136.5 123.3 47.6 -11.6 16.5 14 14 A R E -A 28 0A 126 14,-1.1 14,-2.4 -2,-0.4 4,-0.1 -0.994 19.3-165.9-136.0 125.5 49.7 -8.9 18.1 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.448 73.6 64.2 -91.1 1.6 50.1 -8.5 21.8 16 16 A K E S-C 57 0B 120 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.924 100.5 -88.2-126.5 141.5 51.5 -5.0 21.7 17 17 A I E + 0 0 22 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.269 58.9 171.3 -50.8 139.3 49.7 -1.8 20.5 18 18 A Y E -A 26 0A 35 8,-2.7 8,-3.1 -4,-0.1 2,-0.4 -0.841 32.3 -98.3-142.3 171.8 50.3 -1.5 16.8 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.874 33.1-124.1-101.8 140.0 49.1 0.6 13.8 20 20 A D > - 0 0 55 4,-2.5 3,-1.0 -2,-0.4 -1,-0.1 0.023 37.1 -99.2 -52.8 173.8 46.4 -0.5 11.2 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.757 134.3 56.1 -68.8 -23.4 47.1 -0.6 7.6 22 22 A E T 3 S- 0 0 85 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.562 125.7-104.8 -83.3 -13.8 45.3 2.6 8.1 23 23 A G S < S+ 0 0 36 -3,-1.0 2,-0.2 1,-0.3 -2,-0.1 0.394 75.4 140.1 99.1 5.0 47.7 4.0 10.6 24 24 A Y - 0 0 70 1,-0.1 -4,-2.5 -5,-0.1 2,-0.4 -0.537 60.1-105.6 -89.9 150.7 45.4 3.4 13.5 25 25 A Y E +AB 19 34A 33 9,-0.8 8,-3.6 11,-0.3 9,-1.2 -0.515 52.9 158.5 -70.3 125.2 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.3 -0.895 20.3-168.4-142.3 163.7 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-1.9 -2,-0.3 -12,-0.2 -0.984 52.2 2.9-151.5 164.1 45.8 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 2,-1.1 -2,-0.3 -14,-1.1 -0.320 122.9 -6.3 68.6-134.1 45.0 -8.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.606 127.9 -52.9 -98.5 72.6 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 16 -2,-1.1 2,-1.0 -19,-0.3 -2,-0.2 0.756 83.1 158.8 69.8 25.5 42.3 -6.5 14.8 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-1.7 32,-0.0 -1,-0.2 -0.689 33.8-144.1 -83.9 99.0 40.7 -4.6 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.385 18.0-175.5 -59.4 133.2 40.8 -0.9 16.8 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.865 59.6 -20.9 -96.8 -48.3 41.5 1.2 19.8 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.4 -0.985 36.9-140.8-157.4 154.7 41.3 4.8 18.5 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.449 75.3 109.8 -95.2 -6.0 41.5 6.7 15.3 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.3 1,-0.1 6,-0.2 -0.401 75.1-126.3 -69.4 145.5 43.4 9.4 17.3 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.596 76.6 98.2 -74.9 -11.2 47.1 10.1 16.8 38 38 A S >> - 0 0 55 1,-0.2 4,-2.4 2,-0.0 3,-0.6 -0.690 57.6-156.8 -92.4 128.4 48.2 9.8 20.4 39 39 A L H 3> S+ 0 0 72 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.735 100.7 60.8 -58.8 -26.2 49.7 6.6 21.7 40 40 A N H 3> S+ 0 0 122 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.914 101.2 47.1 -75.7 -38.6 48.5 8.0 24.9 41 41 A A H X> S+ 0 0 34 -3,-0.6 4,-2.4 1,-0.2 3,-0.7 0.979 114.2 51.8 -60.2 -47.1 44.8 8.1 23.9 42 42 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.883 106.9 51.1 -54.0 -47.3 45.3 4.6 22.7 43 43 A K H 3X S+ 0 0 46 -4,-2.2 4,-1.6 -5,-0.2 11,-0.3 0.824 110.2 50.6 -61.9 -33.4 46.9 3.4 25.9 44 44 A S H S+ 0 0 35 -4,-1.6 4,-1.6 2,-0.2 5,-0.6 0.810 112.9 51.9 -68.6 -31.4 43.2 0.0 29.8 48 48 A K H <5S+ 0 0 146 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.894 111.6 48.2 -65.9 -42.1 39.4 1.0 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.866 121.4 33.1 -66.8 -37.8 38.8 -2.0 27.4 50 50 A I H <5S- 0 0 35 -4,-2.2 -1,-0.2 2,-0.2 -3,-0.2 0.733 100.4-125.3 -96.0 -29.3 40.7 -4.6 29.5 51 51 A G T <5S+ 0 0 67 -4,-1.6 2,-0.3 1,-0.4 -3,-0.2 0.743 77.8 70.7 88.6 22.8 40.0 -3.3 33.0 52 52 A R S - 0 0 2 -2,-0.8 3,-1.7 -11,-0.3 -1,-0.2 0.681 31.4-145.5-100.2 -23.2 48.2 -2.6 30.6 55 55 A N T 3 S- 0 0 126 1,-0.3 3,-0.1 -12,-0.2 -2,-0.1 0.860 76.2 -55.1 58.6 36.6 51.0 -0.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.603 120.1 98.1 75.5 10.3 50.3 -1.1 26.0 57 57 A V B < -C 16 0B 64 -3,-1.7 2,-0.2 -41,-0.2 -41,-0.2 -0.994 45.6-179.9-136.9 137.1 50.6 -4.9 26.3 58 58 A I - 0 0 5 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.796 26.7-110.9-124.2 167.7 48.0 -7.6 26.8 59 59 A T > - 0 0 68 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.474 33.8-106.7 -89.3 168.8 48.0 -11.5 27.2 60 60 A K H > S+ 0 0 107 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.899 122.0 56.5 -58.1 -46.3 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.846 106.8 45.2 -50.7 -48.4 43.8 -14.5 26.8 62 62 A E H > S+ 0 0 31 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.836 110.6 55.8 -71.9 -32.7 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.927 109.7 45.5 -65.3 -42.3 43.3 -10.7 23.0 64 64 A E H X S+ 0 0 86 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.799 108.9 56.5 -69.9 -31.8 40.9 -13.6 22.6 65 65 A K H X S+ 0 0 115 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.953 109.4 44.7 -65.1 -43.2 38.4 -12.1 25.0 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.889 112.0 54.8 -64.7 -37.2 38.3 -8.9 22.9 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.944 106.0 50.0 -64.3 -46.1 38.0 -11.1 19.8 68 68 A N H X S+ 0 0 92 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.919 112.7 48.5 -59.1 -39.5 35.0 -12.9 21.1 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.909 111.1 49.6 -65.2 -44.1 33.3 -9.5 22.0 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.888 111.2 47.5 -62.1 -42.9 34.0 -8.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.930 113.2 49.0 -65.0 -46.3 32.7 -11.1 16.6 72 72 A D H X S+ 0 0 81 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.950 111.9 49.2 -57.0 -46.6 29.5 -11.1 18.8 73 73 A A H X S+ 0 0 45 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.875 109.7 52.8 -62.6 -36.9 29.0 -7.4 18.2 74 74 A A H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.942 111.1 45.0 -64.1 -47.9 29.5 -7.8 14.5 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 115.2 47.9 -62.4 -45.8 26.8 -10.5 14.2 76 76 A R H X S+ 0 0 131 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.852 109.7 53.1 -64.1 -34.9 24.4 -8.5 16.4 77 77 A G H >X S+ 0 0 2 -4,-2.1 4,-0.9 -5,-0.3 3,-0.6 0.935 107.9 49.7 -66.4 -46.6 25.0 -5.4 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 7,-0.4 0.924 111.5 50.9 -50.9 -45.9 24.2 -7.2 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.652 112.5 45.2 -72.5 -19.8 21.0 -8.6 12.7 80 80 A R H << S+ 0 0 181 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.3 0.409 92.8 98.6 -96.6 -13.8 19.9 -5.1 13.9 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.3 0.852 101.5 67.0 -85.2 -41.4 22.2 -5.9 6.4 85 85 A K H X S+ 0 0 77 -4,-2.7 4,-2.6 -7,-0.4 5,-0.2 0.860 98.6 50.1 -52.2 -49.0 19.8 -8.3 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.889 112.2 47.9 -62.3 -37.2 17.9 -9.2 4.8 87 87 A V H > S+ 0 0 4 -4,-0.5 4,-0.8 -3,-0.3 3,-0.4 0.974 111.8 50.2 -65.7 -49.8 21.1 -10.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.932 110.0 50.3 -49.7 -52.7 22.4 -12.1 5.8 89 89 A D H 3< S+ 0 0 77 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.801 108.4 54.0 -59.8 -32.4 19.2 -14.1 6.1 90 90 A S H 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.640 96.5 84.4 -78.1 -17.1 19.3 -14.8 2.4 91 91 A L S << S- 0 0 6 -3,-1.3 31,-0.0 -4,-0.8 30,-0.0 -0.572 76.3-115.7 -91.3 158.1 22.8 -16.2 2.3 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.128 44.7 -91.1 -76.1 173.1 24.2 -19.7 3.0 93 93 A A H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.835 122.4 47.0 -61.8 -40.3 26.5 -20.4 6.0 94 94 A V H > S+ 0 0 27 2,-0.2 4,-1.2 62,-0.2 3,-0.2 0.938 113.9 46.6 -69.3 -48.2 29.9 -19.8 4.2 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.828 105.4 62.5 -62.2 -30.1 28.8 -16.6 2.5 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.927 100.9 52.4 -58.0 -42.9 27.4 -15.5 5.9 97 97 A C H X S+ 0 0 18 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.855 104.3 56.5 -62.4 -34.3 30.9 -15.6 7.2 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.877 108.4 46.7 -67.5 -35.2 32.2 -13.4 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.900 110.5 53.1 -71.8 -38.2 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.916 106.9 53.2 -59.8 -39.1 30.7 -11.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.943 109.2 47.9 -62.1 -48.4 34.3 -10.5 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.899 111.5 50.1 -58.1 -48.4 33.5 -7.2 6.0 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 109.4 51.4 -59.3 -41.7 31.5 -5.9 8.9 104 104 A F H < S+ 0 0 32 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.924 117.3 39.5 -57.5 -47.7 34.4 -6.7 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 133.7 18.9 -68.5 -49.6 36.9 -4.8 9.1 106 106 A M H X S- 0 0 53 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.527 101.4-117.7-110.8 -3.3 34.8 -1.9 8.1 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.0 -5,-0.3 5,-0.2 0.176 36.9 -76.7 76.4 157.5 31.9 -1.5 10.5 108 108 A E H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 128.9 52.0 -50.5 -53.0 28.1 -1.7 9.8 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.924 107.6 49.6 -55.7 -52.4 27.9 1.6 8.3 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.904 114.1 44.1 -55.2 -49.0 30.7 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.2 -1,-0.2 0.908 106.0 61.3 -67.7 -39.0 29.3 -2.2 4.5 112 112 A A H 3< S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 94.9 65.6 -61.2 -19.2 25.8 -0.8 4.4 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-1.3 -3,-0.6 -1,-0.3 0.568 76.4 85.7 -76.6 -10.0 27.1 1.7 1.9 114 114 A F <> + 0 0 39 -3,-2.6 4,-2.2 1,-0.2 3,-0.4 -0.267 56.8 157.3 -86.6 55.9 27.9 -1.1 -0.7 115 115 A T H > + 0 0 89 -2,-1.3 4,-1.7 1,-0.3 -1,-0.2 0.831 65.1 45.8 -46.5 -53.6 24.3 -0.8 -1.9 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.868 113.8 47.7 -66.1 -39.5 24.7 -2.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.867 109.7 53.3 -68.9 -37.7 26.8 -5.3 -4.2 118 118 A L H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 108.2 52.2 -59.4 -41.9 24.4 -6.1 -1.4 119 119 A R H X S+ 0 0 115 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.936 111.1 45.7 -61.6 -47.8 21.6 -6.1 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.869 110.3 53.0 -66.6 -39.2 23.4 -8.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.924 108.2 51.7 -64.0 -42.4 24.4 -10.8 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 109.7 49.5 -60.6 -33.8 20.7 -11.0 -2.4 123 123 A Q T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.487 113.2-122.3 -80.1 -6.0 19.9 -11.9 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.6 2,-1.2 -4,-0.3 -3,-0.2 0.777 61.8 146.9 65.5 34.7 22.6 -14.6 -5.9 125 125 A R >< + 0 0 128 -5,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.720 19.1 171.5 -98.5 74.5 24.4 -13.1 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.837 68.4 46.7 -57.4 -46.3 27.8 -14.2 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 115.1 47.5 -70.2 -37.4 30.0 -13.4 -10.4 128 128 A E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 110.9 50.1 -68.4 -41.7 28.5 -10.0 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.859 107.2 54.9 -64.1 -37.5 28.7 -9.1 -7.3 130 130 A A H X S+ 0 0 9 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.891 109.1 47.8 -63.0 -40.0 32.4 -10.1 -7.1 131 131 A V H >< S+ 0 0 90 -4,-1.7 3,-0.5 1,-0.2 4,-0.5 0.950 113.8 47.9 -64.3 -45.9 33.2 -7.8 -10.0 132 132 A N H >< S+ 0 0 48 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.837 107.1 54.7 -63.6 -39.2 31.3 -4.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.816 101.1 62.4 -62.8 -29.5 32.9 -5.4 -4.8 134 134 A A T << S+ 0 0 25 -4,-0.9 2,-1.6 -3,-0.5 -1,-0.2 0.694 84.8 78.5 -75.0 -16.1 36.3 -5.1 -6.4 135 135 A K S < S+ 0 0 149 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 -0.456 81.0 93.5 -89.1 64.3 35.5 -1.6 -7.5 136 136 A S S > S- 0 0 21 -2,-1.6 4,-2.0 1,-0.1 3,-0.3 -0.988 85.2-112.8-152.6 161.4 36.1 -0.0 -4.1 137 137 A R H > S+ 0 0 138 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.909 115.7 64.5 -59.0 -42.4 38.7 1.7 -1.9 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.867 105.1 41.2 -48.0 -51.9 38.5 -1.4 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.857 115.4 50.6 -68.9 -41.6 39.9 -3.7 -2.6 140 140 A N H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.2 42.0 -64.5 -36.6 42.5 -1.2 -3.7 141 141 A Q H < S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 133.5 18.2 -79.9 -39.8 43.9 -0.6 -0.2 142 142 A T S X S+ 0 0 23 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 -0.555 74.0 161.1-132.3 66.5 43.9 -4.3 1.0 143 143 A P H > + 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.805 69.3 51.8 -59.4 -40.8 43.7 -6.3 -2.2 144 144 A N H > S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.918 117.4 39.3 -68.6 -41.0 44.9 -9.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.1 3,-0.3 0.929 115.8 51.1 -69.5 -49.4 42.4 -9.8 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -8,-0.2 5,-0.3 0.942 109.9 52.7 -53.7 -43.8 39.6 -8.3 -0.2 147 147 A K H X S+ 0 0 84 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.878 105.7 51.9 -64.0 -32.4 40.3 -10.9 -2.8 148 148 A R H X S+ 0 0 49 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.927 114.0 44.4 -63.3 -47.4 40.0 -13.7 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.935 112.8 51.8 -65.2 -44.3 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 10 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.858 107.8 50.2 -61.2 -40.1 35.5 -11.8 -2.6 151 151 A T H X S+ 0 0 36 -4,-1.8 4,-2.7 -5,-0.3 5,-0.4 0.873 107.3 57.1 -66.5 -35.3 36.3 -15.4 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.905 109.5 43.5 -61.5 -41.7 34.4 -16.6 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.861 114.7 51.3 -70.1 -39.7 31.3 -14.7 -1.9 154 154 A R H < S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.9 22.0 -61.3 -47.5 31.9 -15.9 -5.5 155 155 A T H < S- 0 0 50 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.749 82.3-137.9 -95.7 -34.6 32.2 -19.7 -4.7 156 156 A G S < S+ 0 0 13 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.597 72.0 109.1 76.4 13.8 30.6 -20.3 -1.4 157 157 A L S S- 0 0 90 -6,-0.4 3,-0.4 -5,-0.1 -1,-0.3 -0.754 76.2-124.5-118.0 165.1 33.6 -22.5 -0.6 158 158 A W S > S+ 0 0 41 -2,-0.2 3,-1.8 1,-0.2 4,-0.3 0.329 72.8 115.2 -93.8 10.9 36.5 -22.1 1.9 159 159 A D T >> + 0 0 86 1,-0.3 3,-1.4 2,-0.2 4,-1.0 0.725 64.1 64.0 -51.4 -37.1 39.3 -22.5 -0.7 160 160 A A H 3> S+ 0 0 16 -3,-0.4 4,-0.6 1,-0.3 -1,-0.3 0.762 109.2 43.6 -60.0 -25.7 40.8 -18.9 -0.5 161 161 A Y H <4 S+ 0 0 3 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.379 97.0 76.8 -99.5 -3.7 41.7 -19.7 3.1 162 162 A K H <4 S+ 0 0 127 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.836 94.4 49.8 -72.1 -46.1 43.0 -23.3 2.4 163 163 A N H < 0 0 124 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.996 360.0 360.0 -51.2 -65.0 46.2 -22.0 1.0 164 164 A L < 0 0 112 -4,-0.6 -1,-0.3 0, 0.0 -2,-0.1 0.077 360.0 360.0 -60.1 360.0 46.6 -19.8 4.0