==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBN . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 10 6.2 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 . 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 0 2 0 1 1 2 0 0 1 1 1 0 0 0 0 0 0 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 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 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.2 43.0 -1.7 9.0 2 2 A N > - 0 0 69 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.906 360.0 -80.6-155.1 177.4 39.7 -0.8 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.832 126.4 51.2 -59.8 -35.2 37.6 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 113.2 43.4 -67.8 -47.5 39.8 3.6 14.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.881 114.7 52.3 -64.2 -37.5 43.1 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 113.1 41.4 -63.7 -53.0 41.4 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.837 109.7 59.7 -67.7 -31.3 40.2 7.9 10.8 8 8 A R H X S+ 0 0 107 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.904 108.6 45.5 -61.5 -39.4 43.4 8.2 12.8 9 9 A I H < S+ 0 0 70 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.943 117.9 42.2 -64.7 -47.6 45.2 8.5 9.4 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 126.0 31.4 -73.4 -31.5 42.7 10.9 8.0 11 11 A E H < S- 0 0 43 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.668 92.5-152.7-101.3 -21.8 42.3 13.1 11.1 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.195 23.1 -88.9 73.0-173.0 45.7 12.9 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.945 44.5 167.6-140.6 117.8 46.3 13.3 16.5 14 14 A R E -A 28 0A 146 14,-1.6 14,-2.3 -2,-0.4 4,-0.1 -1.000 21.3-160.8-132.7 133.1 46.9 16.7 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.537 73.8 64.0 -94.2 -8.0 46.8 17.3 21.8 16 16 A K E S-C 57 0B 115 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.867 101.8 -85.1-113.1 149.9 46.4 21.1 21.8 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.271 58.5 169.0 -52.3 130.7 43.4 23.0 20.3 18 18 A Y E -A 26 0A 28 8,-2.8 8,-3.0 -4,-0.1 2,-0.5 -0.883 36.8-103.3-136.4 168.2 43.9 23.5 16.6 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.853 34.2-136.2 -97.6 133.5 41.7 24.6 13.7 20 20 A D > - 0 0 45 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 0.008 42.0 -78.5 -72.1-174.0 40.3 22.0 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 134.5 50.1 -62.4 -22.9 40.3 22.2 7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.376 123.7-103.2 -96.7 1.7 37.2 24.5 7.8 23 23 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.620 75.4 139.1 87.7 15.7 38.9 26.8 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.770 61.4-100.7-101.3 138.6 37.0 25.4 13.4 25 25 A Y E +A 19 0A 37 9,-0.4 8,-2.8 11,-0.4 9,-1.3 -0.315 55.1 159.8 -59.5 130.5 38.4 24.8 16.8 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.895 19.9-165.3-148.2 159.4 39.1 21.1 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 2,-0.2 -0.977 51.9 2.1-148.7 162.9 41.3 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.6 -2,-0.3 2,-0.9 -0.390 123.5 -6.3 72.5-131.3 42.5 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.685 129.2 -52.3-101.7 68.9 41.5 13.0 16.6 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.811 82.0 163.0 67.5 33.3 39.2 15.4 14.8 31 31 A H E < -B 27 0A 31 -4,-2.5 -4,-1.8 1,-0.0 -1,-0.2 -0.724 32.1-142.2 -86.2 104.5 37.0 16.2 17.7 32 32 A L E -B 26 0A 77 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.459 19.4-176.3 -65.7 129.2 35.2 19.4 16.7 33 33 A L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.879 58.3 -36.1 -92.5 -45.9 34.8 21.7 19.7 34 34 A T - 0 0 32 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.968 34.4-128.6-171.6 157.3 32.7 24.5 18.3 35 35 A K S S+ 0 0 109 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.463 75.5 114.8 -92.7 -3.7 32.1 26.6 15.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.402 67.7-139.7 -64.8 139.0 32.5 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.514 76.7 102.2 -75.2 -4.6 35.5 32.0 16.4 38 38 A S >> - 0 0 57 1,-0.2 4,-1.6 2,-0.0 3,-0.7 -0.735 60.9-158.3 -87.2 115.0 36.0 32.6 20.1 39 39 A L H 3> S+ 0 0 68 -2,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.824 93.8 59.2 -58.3 -35.4 38.8 30.4 21.6 40 40 A N H 3> S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.857 102.8 52.1 -62.0 -35.9 37.3 30.8 25.0 41 41 A A H <> S+ 0 0 33 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.894 110.0 49.1 -66.2 -39.5 34.1 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.901 109.9 51.2 -63.7 -42.5 36.2 26.3 22.4 43 43 A K H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 11,-0.3 0.881 108.7 51.8 -63.5 -38.7 38.1 25.9 25.7 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 110.3 48.0 -62.3 -48.2 34.7 25.8 27.6 45 45 A E H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.894 111.3 51.7 -59.5 -40.0 33.5 23.0 25.2 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.945 109.6 47.8 -60.4 -50.2 36.8 21.2 25.8 47 47 A D H X>S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 5,-0.8 0.878 112.8 49.8 -60.4 -38.6 36.5 21.3 29.6 48 48 A K H <5S+ 0 0 141 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.5 48.8 -65.4 -40.9 32.9 20.2 29.4 49 49 A A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.860 120.9 34.3 -68.3 -37.5 33.9 17.2 27.1 50 50 A I H <5S- 0 0 38 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.750 101.8-126.8 -91.8 -28.8 36.8 16.1 29.3 51 51 A G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.712 78.1 70.5 86.0 22.8 35.4 16.9 32.7 52 52 A R S - 0 0 10 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.633 29.6-145.9 -92.9 -19.4 42.2 21.5 30.4 55 55 A N T 3 S- 0 0 109 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.874 74.9 -51.4 40.2 48.4 43.3 25.0 29.4 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.536 119.7 95.5 80.7 8.4 43.4 23.9 25.8 57 57 A V B < +C 16 0B 70 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.995 43.7 176.7-135.6 138.0 45.5 20.7 26.2 58 58 A I - 0 0 5 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.834 27.9-107.7-130.0 170.7 44.6 17.0 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.501 33.1-108.5 -91.4 166.6 46.4 13.7 27.0 60 60 A K H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 121.2 53.7 -59.2 -43.2 46.6 10.9 24.3 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 109.7 48.2 -58.2 -43.5 44.2 8.8 26.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 110.7 50.4 -64.8 -42.1 41.7 11.6 26.6 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.911 111.4 48.8 -60.3 -43.4 41.9 12.2 22.9 64 64 A E H X S+ 0 0 90 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.856 108.1 54.5 -67.5 -33.7 41.3 8.4 22.3 65 65 A K H X S+ 0 0 141 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 110.2 45.4 -64.1 -48.1 38.4 8.5 24.7 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.904 111.2 55.2 -58.8 -40.4 36.7 11.3 22.7 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.921 106.8 48.7 -60.9 -45.2 37.5 9.4 19.5 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.925 113.6 47.5 -61.8 -43.3 35.8 6.3 20.7 69 69 A Q H X S+ 0 0 103 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 113.3 48.5 -61.0 -44.2 32.7 8.3 21.7 70 70 A D H X S+ 0 0 34 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.889 112.4 46.5 -66.6 -42.1 32.7 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.947 114.6 48.5 -64.1 -46.9 33.0 7.0 16.2 72 72 A D H X S+ 0 0 88 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.930 112.4 48.1 -57.6 -48.9 30.3 5.3 18.3 73 73 A A H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.866 108.5 54.9 -63.0 -37.9 28.0 8.3 18.0 74 74 A A H X S+ 0 0 13 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.936 111.9 43.5 -59.9 -47.7 28.6 8.6 14.2 75 75 A V H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 113.0 50.6 -63.2 -48.4 27.5 4.9 13.7 76 76 A R H X S+ 0 0 144 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.882 110.2 51.8 -60.8 -37.1 24.5 5.2 16.1 77 77 A G H >X S+ 0 0 3 -4,-2.3 4,-0.9 2,-0.2 3,-0.6 0.931 107.4 51.1 -62.1 -48.9 23.4 8.4 14.1 78 78 A I H >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.2 7,-0.5 0.921 109.8 51.1 -52.1 -46.4 23.7 6.6 10.8 79 79 A L H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.9 49.9 -66.6 -24.4 21.5 3.8 12.2 80 80 A R H << S+ 0 0 180 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.3 0.542 92.0 94.2 -86.9 -12.8 18.9 6.4 13.4 81 81 A N S+ 0 0 85 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.859 120.7 38.6 -82.1 -39.0 17.9 7.7 4.6 84 84 A L H > S+ 0 0 8 -6,-0.2 4,-3.0 1,-0.1 3,-0.2 0.867 101.9 68.2 -84.2 -38.7 21.3 6.4 5.7 85 85 A K H X S+ 0 0 82 -4,-3.0 4,-3.0 -7,-0.5 5,-0.2 0.898 99.3 47.5 -53.2 -52.4 20.5 3.2 7.5 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.885 116.0 45.8 -61.2 -34.4 19.2 1.1 4.6 87 87 A V H >X S+ 0 0 10 -4,-0.6 4,-0.8 -3,-0.2 3,-0.5 0.956 114.1 48.0 -69.6 -49.1 22.3 2.0 2.5 88 88 A Y H >< S+ 0 0 29 -4,-3.0 3,-1.4 1,-0.2 -3,-0.2 0.931 111.8 49.7 -54.3 -49.1 24.7 1.4 5.4 89 89 A D H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 104.8 59.6 -66.2 -22.3 23.1 -2.0 6.2 90 90 A S H << S+ 0 0 34 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.671 94.8 88.1 -75.5 -18.2 23.3 -2.9 2.5 91 91 A L S << S- 0 0 9 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.434 78.8-116.4 -85.8 154.2 27.1 -2.5 2.6 92 92 A D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.344 44.1 -95.3 -72.0 167.4 30.0 -4.9 3.4 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.822 121.6 52.0 -61.5 -35.9 32.1 -4.0 6.5 94 94 A V H >> S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.957 112.3 44.6 -68.1 -48.6 34.9 -2.2 4.6 95 95 A R H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.845 106.1 62.4 -64.0 -32.0 32.5 0.1 2.7 96 96 A R H 3X S+ 0 0 80 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.880 100.4 54.5 -57.7 -37.1 30.7 0.7 6.0 97 97 A C H S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.828 118.4 58.5 -73.3 -36.8 25.1 13.2 9.0 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.941 106.6 48.3 -61.2 -50.2 22.7 15.8 7.5 110 110 A G H >4 S+ 0 0 31 -4,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.943 114.4 45.4 -53.7 -53.0 25.1 16.7 4.7 111 111 A V H >< S+ 0 0 7 -4,-1.5 3,-2.5 1,-0.3 -1,-0.2 0.879 103.7 63.0 -60.4 -41.4 25.7 13.0 3.8 112 112 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.728 98.9 58.5 -57.5 -20.6 21.9 12.2 4.0 113 113 A G T << S+ 0 0 52 -3,-1.2 2,-1.9 -4,-0.8 -1,-0.3 0.412 73.1 98.0 -89.6 0.8 21.5 14.7 1.1 114 114 A F <> + 0 0 40 -3,-2.5 4,-2.9 1,-0.2 5,-0.2 -0.325 51.0 159.6 -80.6 54.2 23.9 12.7 -1.2 115 115 A T H > + 0 0 86 -2,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.858 66.0 42.4 -53.9 -47.2 20.7 11.2 -2.7 116 116 A N H > S+ 0 0 79 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.905 115.6 48.5 -70.8 -40.5 22.1 10.0 -6.0 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 110.9 52.5 -62.2 -43.7 25.3 8.6 -4.5 118 118 A L H X S+ 0 0 21 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.916 109.8 48.0 -58.9 -45.5 23.3 6.8 -1.8 119 119 A R H X S+ 0 0 116 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.927 112.0 49.1 -62.6 -45.7 21.1 5.2 -4.4 120 120 A M H <>S+ 0 0 29 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.891 111.3 50.5 -62.3 -38.9 24.1 4.1 -6.5 121 121 A L H ><5S+ 0 0 7 -4,-2.6 3,-1.3 2,-0.2 -2,-0.2 0.928 109.8 48.7 -65.6 -44.8 25.8 2.6 -3.4 122 122 A Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.866 111.5 50.9 -63.6 -32.9 22.7 0.6 -2.5 123 123 A Q T 3<5S- 0 0 82 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.519 111.7-125.5 -76.5 -8.5 22.5 -0.6 -6.1 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.2 0.823 59.7 148.6 62.2 33.9 26.2 -1.6 -5.8 125 125 A R >< + 0 0 122 -5,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.684 21.4 174.1 -92.1 77.0 27.0 0.4 -8.9 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.862 66.9 44.8 -67.3 -42.4 30.5 1.1 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 116.5 47.8 -68.1 -41.6 32.2 3.0 -10.3 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.7 50.3 -62.7 -44.9 29.2 5.2 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.925 109.3 51.8 -58.3 -44.9 28.8 5.9 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.893 109.8 48.7 -61.1 -41.4 32.5 6.8 -7.0 131 131 A V H X S+ 0 0 98 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.935 113.7 46.9 -62.6 -44.3 32.1 9.3 -10.0 132 132 A N H >< S+ 0 0 29 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.899 106.3 57.7 -67.2 -38.5 29.1 10.8 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.819 101.9 56.4 -60.5 -32.7 30.7 11.1 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-1.8 -3,-0.4 -1,-0.3 0.638 85.0 83.0 -78.3 -15.5 33.6 13.2 -6.4 135 135 A K S << S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.521 81.4 98.4 -84.5 69.3 31.1 15.8 -7.8 136 136 A S S > S- 0 0 17 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.996 85.5-118.7-155.3 152.2 31.0 17.6 -4.4 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 115.4 62.9 -55.5 -43.1 32.3 20.4 -2.3 138 138 A W H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.928 106.3 41.4 -46.9 -55.8 33.6 17.6 -0.0 139 139 A Y H 4 S+ 0 0 68 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.3 50.1 -62.0 -46.7 35.9 16.3 -2.7 140 140 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.2 42.3 -64.2 -35.2 37.0 19.7 -3.9 141 141 A Q H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 132.7 20.4 -82.2 -33.9 37.9 21.0 -0.5 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 -0.575 75.1 158.7-131.2 68.4 39.6 17.8 0.8 143 143 A P H > + 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 69.6 51.5 -67.1 -38.2 40.5 15.9 -2.4 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.939 116.8 40.4 -67.1 -40.8 43.3 13.6 -1.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 115.3 51.2 -68.7 -45.8 41.1 12.4 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.898 106.6 55.6 -60.0 -39.0 38.0 12.1 -0.3 147 147 A K H X S+ 0 0 85 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.905 108.6 47.9 -59.6 -41.4 40.0 10.1 -2.9 148 148 A R H X S+ 0 0 65 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.931 114.5 45.1 -63.8 -45.5 40.9 7.6 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 113.9 49.6 -66.3 -42.3 37.3 7.3 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.912 108.2 52.7 -64.4 -42.3 36.0 7.1 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.6 4,-2.6 -5,-0.2 6,-0.4 0.889 108.2 52.5 -58.1 -39.1 38.5 4.4 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.931 112.0 44.9 -63.3 -44.7 37.3 2.5 -0.3 153 153 A F H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 115.3 49.2 -62.6 -37.0 33.7 2.8 -1.6 154 154 A R H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.909 126.6 20.9 -71.3 -41.1 34.7 1.8 -5.1 155 155 A T H < S- 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.663 83.4-134.6-105.7 -23.7 36.7 -1.3 -4.2 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.781 74.1 108.0 62.4 26.2 35.6 -2.5 -0.8 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.813 79.6-122.7-123.7 169.9 39.3 -2.9 -0.0 158 158 A W > + 0 0 61 -2,-0.3 3,-2.3 1,-0.2 4,-0.3 0.137 69.9 123.4 -96.1 19.5 41.8 -1.0 2.1 159 159 A D G > + 0 0 124 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.800 68.8 56.5 -53.0 -35.8 44.1 -0.3 -0.8 160 160 A A G 3 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.614 103.6 54.9 -73.7 -11.6 44.0 3.5 -0.3 161 161 A Y G < 0 0 1 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.287 360.0 360.0-109.3 10.3 45.2 3.2 3.3 162 162 A K < 0 0 198 -3,-1.0 -3,-0.1 -4,-0.3 -2,-0.1 0.343 360.0 360.0 39.0 360.0 48.4 1.2 2.6