==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-11 3QR3 . COMPND 2 MOLECULE: ENDOGLUCANASE EG-II; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR T.M.LEE,M.F.FARROW,J.T.KAISER,F.H.ARNOLD,S.L.MAYO . 658 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.4 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.3 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 2 2 2 0 0 0 2 0 2 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 8 0 4 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 . 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 2 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 M 0 0 154 0, 0.0 2,-0.3 0, 0.0 280,-0.1 0.000 360.0 360.0 360.0 20.3 9.3 38.5 40.3 2 1 A G - 0 0 21 278,-0.1 279,-0.1 280,-0.0 276,-0.1 -0.900 360.0 -56.8 173.7 173.0 10.6 39.3 36.9 3 2 A V - 0 0 2 -2,-0.3 285,-0.2 1,-0.1 286,-0.1 -0.230 49.2-122.3 -60.6 152.7 10.2 38.8 33.1 4 3 A R S S+ 0 0 130 283,-0.4 2,-0.5 280,-0.3 285,-0.2 0.910 91.0 48.2 -65.1 -41.9 10.3 35.2 32.0 5 4 A F E +a 289 0A 5 283,-2.7 285,-2.1 52,-0.1 2,-0.4 -0.872 55.1 168.3-114.5 128.9 13.2 35.5 29.6 6 5 A A E +a 290 0A 0 -2,-0.5 52,-2.6 283,-0.2 53,-1.3 -0.998 29.1 108.3-132.6 131.1 16.6 37.2 30.1 7 6 A G E -ab 291 59A 0 283,-1.6 285,-2.8 -2,-0.4 2,-0.3 -0.919 48.6 -99.1-173.1-158.4 19.4 36.8 27.7 8 7 A V E -ab 292 60A 0 51,-0.9 53,-1.6 283,-0.3 2,-0.5 -0.952 30.3-100.5-146.7 156.8 21.7 38.2 25.0 9 8 A N E - b 0 61A 0 283,-3.0 286,-3.2 -2,-0.3 2,-0.9 -0.735 24.9-155.6 -79.2 126.9 22.2 38.3 21.3 10 9 A I E -a 295 0A 1 51,-2.6 3,-0.3 -2,-0.5 286,-0.3 -0.840 29.2-170.0-103.8 88.8 25.0 35.9 20.1 11 10 A A E +a 296 0A 0 284,-1.7 286,-2.5 -2,-0.9 287,-0.1 -0.267 42.8 87.4 -87.3 166.3 26.0 37.7 16.9 12 11 A G S > S+ 0 0 0 284,-0.2 17,-2.4 18,-0.1 3,-1.5 -0.157 70.6 78.0 142.1 -43.8 28.2 36.9 14.0 13 12 A F T 3 S+ 0 0 1 50,-0.5 52,-1.5 -3,-0.3 55,-0.1 0.637 102.1 50.9 -65.4 -9.8 26.1 35.0 11.4 14 13 A D T > S+ 0 0 9 50,-0.3 3,-2.0 49,-0.3 -1,-0.3 0.397 76.3 122.5-107.3 -1.6 24.9 38.5 10.6 15 14 A F T < S+ 0 0 33 -3,-1.5 50,-0.1 1,-0.3 12,-0.1 -0.440 72.7 38.9 -62.3 138.1 28.2 40.2 10.2 16 15 A G T 3 S+ 0 0 27 1,-0.4 8,-2.2 7,-0.1 2,-0.5 0.352 88.2 121.2 97.7 -4.6 28.2 41.7 6.7 17 16 A a B < -J 23 0B 21 -3,-2.0 -1,-0.4 6,-0.3 6,-0.3 -0.802 42.4-168.4 -92.4 131.9 24.5 42.7 6.9 18 17 A T > - 0 0 77 4,-2.5 3,-1.9 -2,-0.5 4,-0.2 -0.689 38.7 -97.0-113.8 172.5 23.8 46.4 6.4 19 18 A T T 3 S+ 0 0 70 1,-0.3 132,-0.1 -2,-0.2 -2,-0.0 0.543 116.4 67.5 -72.1 -5.8 20.6 48.4 7.1 20 19 A D T 3 S- 0 0 65 2,-0.2 92,-2.3 89,-0.0 -1,-0.3 0.354 119.9-103.1 -89.3 4.1 19.5 48.2 3.4 21 20 A G S < S+ 0 0 0 -3,-1.9 90,-2.0 1,-0.3 2,-0.7 0.596 77.9 138.6 82.7 9.4 19.0 44.5 3.7 22 21 A T - 0 0 38 88,-0.2 -4,-2.5 -4,-0.2 2,-0.6 -0.816 28.9-176.3 -87.0 118.5 22.3 43.6 1.9 23 22 A a B -J 17 0B 8 -2,-0.7 2,-0.9 -6,-0.3 -6,-0.3 -0.961 15.5-151.9-113.1 113.8 24.1 40.7 3.6 24 23 A V > - 0 0 64 -8,-2.2 3,-2.0 -2,-0.6 4,-0.2 -0.741 7.7-158.7 -83.0 107.1 27.5 40.0 2.0 25 24 A T G > S+ 0 0 34 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.766 85.5 64.8 -66.2 -24.9 27.8 36.3 2.8 26 25 A S G 3 S+ 0 0 51 1,-0.2 -1,-0.3 555,-0.1 -10,-0.1 0.718 98.9 58.1 -67.5 -16.5 31.6 36.2 2.5 27 26 A K G < S+ 0 0 70 -3,-2.0 -1,-0.2 -12,-0.1 -2,-0.2 0.363 72.9 123.0 -99.1 6.7 31.8 38.5 5.5 28 27 A V < - 0 0 23 -3,-1.3 -15,-0.2 -4,-0.2 -12,-0.1 -0.341 38.4-170.6 -63.0 149.5 29.9 36.4 8.1 29 28 A Y - 0 0 10 -17,-2.4 -15,-0.1 504,-0.0 -16,-0.1 -0.617 17.5-159.0-139.2 73.7 32.0 35.7 11.2 30 29 A P - 0 0 0 0, 0.0 2,-1.5 0, 0.0 5,-0.2 -0.246 22.0-123.4 -66.5 143.9 29.9 33.1 13.0 31 30 A P S S+ 0 0 0 0, 0.0 13,-1.1 0, 0.0 2,-0.5 -0.337 73.3 117.7 -82.2 52.2 30.3 32.5 16.8 32 31 A L > - 0 0 6 -2,-1.5 3,-1.9 11,-0.2 9,-0.2 -0.988 62.1-142.8-117.3 118.4 31.0 28.8 16.4 33 32 A K T 3 S+ 0 0 92 -2,-0.5 8,-2.5 1,-0.3 3,-0.3 0.854 97.7 33.9 -51.2 -46.7 34.5 28.0 17.6 34 33 A N T 3 S+ 0 0 87 5,-0.2 -1,-0.3 1,-0.2 9,-0.0 -0.178 75.3 134.3-105.7 41.4 35.4 25.4 15.0 35 34 A F S < S+ 0 0 33 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.792 87.5 16.3 -57.6 -33.3 33.4 27.0 12.1 36 35 A T S S- 0 0 72 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.478 112.0 -98.2-119.7 -6.7 36.3 26.5 9.7 37 36 A G S S+ 0 0 53 -4,-0.1 -3,-0.1 488,-0.0 -2,-0.1 0.243 103.6 101.7 100.8 -13.2 38.6 24.0 11.4 38 37 A S S S- 0 0 24 485,-0.1 -4,-0.1 -5,-0.1 -5,-0.0 0.705 76.8-147.0 -70.0 -20.6 40.9 26.7 12.7 39 38 A N S S+ 0 0 82 -7,-0.1 -5,-0.2 1,-0.1 -6,-0.1 0.773 73.4 93.2 55.7 30.0 39.1 26.2 16.0 40 39 A N + 0 0 32 -7,-0.3 -6,-0.2 -8,-0.1 -7,-0.1 0.115 43.6 118.3-141.1 26.7 39.5 29.8 16.9 41 40 A Y S S- 0 0 29 -8,-2.5 445,-0.1 -9,-0.2 -12,-0.0 -0.453 86.3 -65.8 -73.2 165.3 36.3 31.5 15.7 42 41 A P - 0 0 17 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.255 49.3-123.5 -58.6 144.8 34.4 33.1 18.6 43 42 A D > + 0 0 50 1,-0.2 4,-2.3 -11,-0.2 -11,-0.2 -0.576 43.1 161.3 -96.4 72.3 33.0 30.6 21.1 44 43 A G H > S+ 0 0 0 -2,-1.3 4,-2.6 -13,-1.1 -1,-0.2 0.852 75.1 50.6 -60.6 -37.2 29.3 31.4 21.1 45 44 A I H > S+ 0 0 61 -14,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.914 110.5 48.7 -71.6 -41.6 28.3 28.1 22.5 46 45 A G H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.864 111.4 51.8 -61.4 -37.8 30.8 28.4 25.4 47 46 A Q H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.959 108.7 49.6 -62.8 -50.7 29.5 31.9 26.0 48 47 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.889 107.6 54.4 -55.9 -40.5 25.9 30.7 26.1 49 48 A Q H X S+ 0 0 100 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.923 110.5 46.4 -62.6 -43.4 26.8 27.9 28.6 50 49 A H H X>S+ 0 0 8 -4,-1.8 4,-2.9 2,-0.2 5,-1.0 0.930 111.7 51.4 -58.9 -49.0 28.4 30.6 30.9 51 50 A F H X5S+ 0 0 0 -4,-2.7 6,-2.0 3,-0.2 4,-0.7 0.886 116.2 40.8 -58.0 -40.0 25.4 32.9 30.5 52 51 A V H X5S+ 0 0 30 -4,-2.6 4,-0.6 4,-0.2 -2,-0.2 0.929 122.0 38.9 -75.4 -45.8 23.0 30.0 31.5 53 52 A N H <5S+ 0 0 117 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.865 132.3 20.9 -76.2 -37.8 25.1 28.5 34.3 54 53 A E H <5S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.745 128.7 40.5-103.6 -28.9 26.4 31.6 35.9 55 54 A D H < - 0 0 1 -52,-1.5 4,-1.6 -2,-0.3 3,-0.2 -0.532 16.4-138.6 -75.1 135.5 21.5 36.9 7.2 66 65 A W H > S+ 0 0 0 -2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.938 106.7 55.4 -51.0 -48.9 18.7 35.8 4.9 67 66 A Q H 4>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 6,-0.3 0.841 104.3 54.8 -58.4 -34.4 21.3 35.6 2.1 68 67 A Y H >45S+ 0 0 17 3,-0.2 3,-1.1 -3,-0.2 -1,-0.2 0.931 104.8 51.4 -64.3 -46.3 23.4 33.3 4.2 69 68 A L H 3<5S+ 0 0 0 -4,-1.6 10,-2.8 1,-0.3 14,-0.3 0.839 122.1 31.1 -65.5 -34.2 20.7 30.7 4.8 70 69 A V T ><5S- 0 0 5 -4,-1.6 3,-2.0 8,-0.3 -1,-0.3 0.231 107.8-121.3-105.3 12.7 19.8 30.4 1.1 71 70 A N T < 5S- 0 0 85 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.913 74.1 -52.0 42.4 53.9 23.3 31.1 -0.1 72 71 A N T 3 - 0 0 41 -10,-2.8 4,-2.7 -11,-0.2 5,-0.4 -0.567 23.2-135.8 -71.4 128.6 21.7 25.9 1.5 80 79 A S H > S+ 0 0 95 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.863 101.5 44.9 -60.9 -38.4 22.7 22.6 3.1 81 80 A T H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.963 114.3 48.3 -66.8 -51.0 26.0 23.9 4.4 82 81 A S H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 114.6 43.6 -57.3 -48.6 24.6 27.2 5.7 83 82 A I H X S+ 0 0 17 -4,-2.7 4,-2.7 -14,-0.3 -1,-0.2 0.876 112.2 55.0 -69.5 -33.8 21.7 25.6 7.6 84 83 A S H X S+ 0 0 64 -4,-1.6 4,-0.9 -5,-0.4 -1,-0.2 0.914 112.5 42.1 -61.7 -45.8 23.9 22.9 9.0 85 84 A K H >X S+ 0 0 48 -4,-2.5 4,-1.0 2,-0.2 3,-0.8 0.951 116.6 47.2 -66.1 -50.7 26.4 25.4 10.4 86 85 A Y H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.7 0.898 106.5 58.8 -60.3 -38.6 23.6 27.7 11.8 87 86 A D H 3X S+ 0 0 33 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.803 95.9 63.3 -63.3 -27.2 21.8 24.8 13.3 88 87 A Q H <>S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 3,-1.0 0.940 115.3 46.5 -66.4 -47.7 21.3 27.1 22.6 94 93 A L H ><5S+ 0 0 8 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.825 102.9 64.3 -66.7 -31.8 18.5 24.6 22.9 95 94 A S H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.703 96.0 59.3 -65.5 -20.7 20.7 22.0 24.6 96 95 A L T <<5S- 0 0 46 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.332 120.3-109.3 -88.3 4.9 21.1 24.5 27.5 97 96 A G T < 5S+ 0 0 50 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.463 77.5 133.5 79.2 1.4 17.3 24.4 28.1 98 97 A A < - 0 0 2 -5,-1.2 2,-0.3 1,-0.1 -1,-0.3 -0.313 62.4-111.1 -77.7 163.1 17.1 28.0 26.8 99 98 A Y E -c 59 0A 38 -41,-2.6 -39,-2.1 -3,-0.1 2,-0.5 -0.747 34.0-148.9 -84.9 147.0 14.7 29.4 24.3 100 99 A b E -cd 60 142A 0 41,-2.8 43,-3.0 -2,-0.3 2,-0.7 -0.956 4.1-150.4-131.7 115.1 16.4 30.4 21.0 101 100 A I E -cd 61 143A 0 -41,-3.1 -39,-3.5 -2,-0.5 2,-0.7 -0.736 5.8-152.2 -89.9 115.4 15.3 33.2 18.7 102 101 A V E -cd 62 144A 1 41,-2.5 43,-2.2 -2,-0.7 2,-0.6 -0.790 21.9-167.3 -82.4 114.3 16.1 32.7 15.1 103 102 A D E -cd 63 145A 1 -41,-1.5 -39,-2.7 -2,-0.7 2,-0.8 -0.929 19.3-151.4-117.1 114.6 16.4 36.2 13.8 104 103 A I E -c 64 0A 0 41,-1.7 44,-2.3 -2,-0.6 2,-1.8 -0.749 16.3-154.4 -82.1 109.4 16.5 37.1 10.1 105 104 A H + 0 0 6 -41,-2.5 -84,-0.1 -2,-0.8 -1,-0.1 -0.398 54.7 113.5 -91.2 63.9 18.7 40.2 10.2 106 105 A N S > S- 0 0 0 -2,-1.8 3,-2.2 -41,-0.1 -1,-0.2 0.394 73.0-126.9-123.8 4.4 17.4 41.9 7.1 107 106 A Y T 3 S- 0 0 22 41,-1.4 44,-0.6 -3,-0.3 42,-0.1 0.804 74.0 -65.1 55.6 32.5 15.5 45.2 7.8 108 107 A A T 3 S+ 0 0 0 40,-0.2 7,-2.6 1,-0.2 2,-0.3 0.698 116.8 102.0 65.8 23.4 12.5 43.9 5.8 109 108 A R E < -K 114 0C 24 -3,-2.2 2,-0.4 5,-0.3 -1,-0.2 -0.888 60.0-153.1-137.0 158.1 14.8 44.0 2.7 110 109 A W E > S-K 113 0C 27 3,-2.4 3,-2.0 -2,-0.3 -88,-0.2 -0.941 87.6 -28.7-131.4 112.2 16.8 42.0 0.3 111 110 A N T 3 S- 0 0 81 -90,-2.0 -90,-0.2 -2,-0.4 -89,-0.1 0.879 129.3 -41.7 48.9 47.4 19.7 44.0 -1.3 112 111 A G T 3 S+ 0 0 44 -92,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.269 115.1 113.8 90.8 -13.3 17.8 47.3 -1.1 113 112 A G E < -K 110 0C 18 -3,-2.0 -3,-2.4 -92,-0.1 2,-0.4 -0.796 65.0-127.1 -97.6 133.6 14.4 45.9 -2.1 114 113 A I E > > -K 109 0C 29 -2,-0.4 5,-2.7 3,-0.4 3,-2.5 -0.620 29.9-107.5 -82.5 128.5 11.6 45.9 0.4 115 114 A I T 3 5S- 0 0 0 -7,-2.6 6,-0.2 -2,-0.4 46,-0.1 -0.324 102.8 -2.5 -53.0 121.6 9.8 42.6 0.9 116 115 A G T 3 5S+ 0 0 30 4,-3.7 -1,-0.3 1,-0.1 5,-0.1 0.491 124.7 78.1 75.4 3.4 6.4 42.8 -0.8 117 116 A Q T < 5S- 0 0 51 -3,-2.5 -3,-0.4 3,-0.3 -2,-0.1 -0.225 127.4 -46.5-138.8 45.9 7.0 46.4 -1.7 118 117 A G T 5S+ 0 0 81 1,-0.4 -3,-0.2 2,-0.2 3,-0.1 -0.016 125.5 69.9 114.2 -29.1 9.3 46.3 -4.8 119 118 A G S > - 0 0 75 -6,-0.2 4,-1.1 -5,-0.1 3,-0.5 -0.439 28.8-105.5 -80.6 163.7 7.5 38.9 -3.2 122 121 A N H >> S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.888 122.6 56.2 -54.7 -40.0 5.7 37.7 -0.1 123 122 A A H 3> S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.832 101.8 54.4 -64.3 -32.9 6.1 34.2 -1.5 124 123 A Q H <4 S+ 0 0 65 -3,-0.5 4,-0.5 2,-0.2 -49,-0.4 0.793 115.6 40.6 -71.7 -24.8 9.9 34.5 -1.7 125 124 A F H S+ 0 0 2 -4,-0.5 4,-1.9 -3,-0.5 -2,-0.2 0.969 115.4 41.8 -63.8 -51.6 12.2 31.0 3.7 129 128 A W H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.824 108.5 59.2 -69.9 -30.2 10.1 30.8 6.9 130 129 A S H X S+ 0 0 49 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.928 108.6 46.2 -63.9 -41.6 8.2 27.8 5.7 131 130 A Q H X S+ 0 0 46 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.918 113.0 47.7 -66.8 -44.6 11.4 25.8 5.5 132 131 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 112.4 50.3 -61.9 -43.0 12.7 27.0 8.8 133 132 A A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.910 109.9 50.2 -62.0 -43.5 9.3 26.1 10.4 134 133 A S H < S+ 0 0 79 -4,-2.3 3,-0.5 -5,-0.2 4,-0.3 0.923 112.2 48.0 -60.3 -43.7 9.4 22.7 8.9 135 134 A K H < S+ 0 0 88 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.914 123.4 32.0 -61.8 -41.9 12.9 22.1 10.2 136 135 A Y H >< S+ 0 0 1 -4,-2.4 3,-2.2 1,-0.2 6,-0.2 0.327 82.2 113.5-103.1 7.5 12.1 23.3 13.7 137 136 A A T 3< S+ 0 0 24 -4,-1.0 39,-0.3 -3,-0.5 38,-0.3 0.814 80.2 47.3 -50.5 -38.5 8.4 22.2 14.0 138 137 A S T 3 S+ 0 0 115 -3,-0.3 2,-0.8 -4,-0.3 -1,-0.3 0.487 95.5 81.8 -87.0 -2.4 9.1 19.6 16.7 139 138 A Q X - 0 0 54 -3,-2.2 3,-1.6 1,-0.1 -1,-0.1 -0.835 57.2-172.9-109.0 98.4 11.3 21.9 18.8 140 139 A S T 3 S+ 0 0 60 -2,-0.8 38,-0.4 1,-0.3 -1,-0.1 0.581 78.0 63.6 -70.8 -9.8 9.0 24.1 20.9 141 140 A R T 3 S+ 0 0 84 36,-0.1 -41,-2.8 -42,-0.1 2,-0.4 0.391 75.4 102.9 -98.9 4.6 11.8 26.3 22.3 142 141 A V E < -d 100 0A 1 -3,-1.6 2,-0.5 -6,-0.2 36,-0.3 -0.748 62.0-154.6 -80.8 131.6 12.7 27.7 18.9 143 142 A W E -d 101 0A 0 -43,-3.0 -41,-2.5 -2,-0.4 2,-1.0 -0.941 11.9-131.4-113.8 127.7 11.3 31.2 18.7 144 143 A F E -de 102 179A 1 34,-2.5 36,-2.9 -2,-0.5 2,-1.4 -0.703 17.3-168.0 -89.7 101.8 10.6 32.6 15.2 145 144 A G E -d 103 0A 2 -43,-2.2 -41,-1.7 -2,-1.0 3,-0.1 -0.649 7.9-165.9 -89.5 83.7 12.0 36.1 14.9 146 145 A I - 0 0 0 -2,-1.4 2,-0.3 34,-0.4 -1,-0.2 0.764 59.8 -11.5 -44.9 -45.8 10.4 37.1 11.6 147 146 A M - 0 0 3 -3,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.943 59.7-124.9-164.1 135.2 12.4 40.1 10.8 148 147 A N S S- 0 0 0 -44,-2.3 -41,-1.4 -2,-0.3 -40,-0.2 -0.721 80.6 -24.6 -84.4 123.6 15.0 42.4 12.3 149 148 A E - 0 0 23 -2,-0.5 -1,-0.2 37,-0.2 37,-0.1 0.809 63.6-159.6 48.8 59.2 14.2 46.2 12.3 150 149 A P + 0 0 0 0, 0.0 36,-1.8 0, 0.0 37,-0.7 -0.406 21.4 176.9 -54.8 144.4 11.8 46.9 9.4 151 150 A H + 0 0 14 -44,-0.6 3,-0.1 34,-0.2 33,-0.1 -0.984 50.1 9.8-154.4 148.2 12.0 50.6 8.6 152 151 A D S S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.879 91.2 130.6 50.0 42.6 10.6 53.1 6.1 153 152 A V S S- 0 0 14 -3,-0.0 2,-0.7 -39,-0.0 -1,-0.2 -0.801 72.5 -94.4-114.2 164.2 8.1 50.5 4.9 154 153 A N > - 0 0 76 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.724 35.9-154.2 -73.0 112.6 4.3 50.6 4.3 155 154 A I H > S+ 0 0 21 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.796 88.9 54.8 -65.5 -29.0 3.1 49.3 7.6 156 155 A N H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.950 112.7 41.6 -69.3 -48.2 -0.2 48.0 6.2 157 156 A T H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 113.6 54.3 -64.0 -42.6 1.5 46.0 3.5 158 157 A W H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.917 104.5 53.8 -57.0 -45.8 4.1 44.8 6.0 159 158 A A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.868 107.9 50.9 -57.9 -38.3 1.4 43.5 8.4 160 159 A A H X S+ 0 0 50 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.923 110.2 49.5 -62.5 -45.5 -0.1 41.5 5.6 161 160 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 110.4 50.4 -57.1 -48.5 3.4 40.0 4.8 162 161 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.905 108.6 52.4 -58.2 -42.5 3.8 39.2 8.5 163 162 A Q H X S+ 0 0 47 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 107.1 52.0 -59.5 -44.4 0.4 37.5 8.5 164 163 A E H X S+ 0 0 91 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 110.4 49.6 -60.1 -38.8 1.4 35.3 5.5 165 164 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.962 109.6 49.6 -65.6 -49.6 4.6 34.3 7.4 166 165 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.925 111.7 50.1 -54.5 -43.6 2.7 33.4 10.5 167 166 A T H X S+ 0 0 47 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.923 111.1 49.0 -61.6 -42.2 0.3 31.3 8.4 168 167 A A H X S+ 0 0 17 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.899 110.4 50.4 -63.9 -40.5 3.2 29.6 6.7 169 168 A I H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 3,-0.2 0.930 114.5 43.0 -66.0 -44.7 5.0 28.8 10.0 170 169 A R H ><5S+ 0 0 17 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.908 112.1 53.0 -67.4 -44.4 1.8 27.3 11.5 171 170 A N H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.722 101.3 62.0 -63.7 -22.8 0.9 25.3 8.4 172 171 A A T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.482 127.2 -97.7 -81.7 -3.4 4.4 23.8 8.3 173 172 A G T < 5S+ 0 0 37 -3,-1.7 2,-1.9 -4,-0.1 3,-0.3 0.358 87.4 126.7 105.4 -4.9 3.7 22.2 11.7 174 173 A A < + 0 0 0 -5,-1.7 -1,-0.1 1,-0.2 -2,-0.1 -0.543 26.4 140.0 -84.4 77.0 5.3 24.7 14.0 175 174 A T + 0 0 98 -2,-1.9 -1,-0.2 -38,-0.3 -5,-0.1 0.601 60.0 51.0-100.1 -14.3 2.2 25.1 16.1 176 175 A S S S+ 0 0 56 -39,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.630 88.6 100.2 -97.1 -15.8 3.6 25.3 19.6 177 176 A Q S S- 0 0 0 -40,-0.1 2,-0.2 1,-0.1 -34,-0.1 -0.302 73.3-110.9 -83.3 153.6 6.3 28.0 19.2 178 177 A F - 0 0 16 -38,-0.4 -34,-2.5 -36,-0.3 2,-0.4 -0.527 32.1-160.0 -66.7 144.8 6.4 31.7 20.0 179 178 A I E -ef 144 214A 0 34,-2.4 36,-2.5 -36,-0.2 2,-0.3 -0.999 10.9-132.0-131.5 131.1 6.5 34.0 16.9 180 179 A S E - f 0 215A 0 -36,-2.9 -34,-0.4 -2,-0.4 36,-0.2 -0.594 7.8-156.2 -80.1 141.6 7.7 37.6 16.9 181 180 A L E - f 0 216A 0 34,-2.4 36,-2.3 -2,-0.3 2,-0.4 -0.928 18.0-163.7-114.0 103.4 5.6 40.4 15.3 182 181 A P E - f 0 217A 0 0, 0.0 36,-0.1 0, 0.0 2,-0.1 -0.726 3.4-158.9 -94.7 139.7 8.1 43.2 14.4 183 182 A G - 0 0 0 34,-0.7 4,-0.6 -2,-0.4 3,-0.1 -0.264 23.7 -77.6-103.4-171.4 6.9 46.8 13.5 184 183 A N S > S+ 0 0 21 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.083 94.6 57.0 -75.7-173.4 8.2 49.9 11.7 185 184 A D G > S- 0 0 70 1,-0.3 3,-2.1 2,-0.2 -34,-0.2 0.894 133.7 -56.9 52.9 46.4 10.7 52.5 12.8 186 185 A W G 3 S- 0 0 90 -36,-1.8 -1,-0.3 1,-0.3 -35,-0.2 0.829 94.9 -68.7 57.9 33.3 13.5 50.0 13.4 187 186 A Q G < S+ 0 0 0 -3,-0.8 32,-2.8 -37,-0.7 -1,-0.3 0.652 80.5 179.1 62.1 16.4 11.2 48.1 15.8 188 187 A S B X> -g 219 0A 12 -3,-2.1 4,-0.9 -4,-0.4 3,-0.7 -0.250 30.1-148.1 -57.2 127.7 11.5 51.1 18.3 189 188 A A T 34 S+ 0 0 5 30,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.792 98.5 60.2 -61.9 -28.8 9.4 50.5 21.4 190 189 A G T 34 S+ 0 0 33 29,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.801 114.0 32.0 -70.6 -29.4 8.9 54.3 21.5 191 190 A A T <> S+ 0 0 18 -3,-0.7 4,-2.7 -6,-0.2 6,-0.4 0.437 88.9 103.7-105.4 -2.9 7.2 54.5 18.1 192 191 A F T < S+ 0 0 1 -4,-0.9 6,-2.5 1,-0.2 5,-0.5 0.845 93.3 25.9 -56.6 -41.5 5.5 51.1 18.2 193 192 A I T >4 S+ 0 0 67 -4,-0.4 3,-1.9 4,-0.2 6,-0.3 0.928 121.3 52.0 -86.0 -50.4 2.0 52.5 18.9 194 193 A S T 34 S+ 0 0 101 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.783 106.6 53.5 -61.9 -30.6 2.2 56.0 17.5 195 194 A D T 3< S- 0 0 38 -4,-2.7 -1,-0.3 -11,-0.1 -40,-0.1 0.397 116.5-111.2 -87.3 4.8 3.4 54.8 14.0 196 195 A G S <> S+ 0 0 28 -3,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.446 85.9 118.0 87.0 1.0 0.5 52.4 13.7 197 196 A S H > S+ 0 0 0 -5,-0.5 4,-2.9 -6,-0.4 5,-0.3 0.910 72.9 54.0 -66.4 -45.1 2.5 49.2 14.0 198 197 A A H > S+ 0 0 0 -6,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.951 112.4 43.5 -54.3 -49.8 0.8 48.1 17.1 199 198 A A H 4 S+ 0 0 59 -6,-0.3 4,-0.4 -7,-0.2 -2,-0.2 0.943 116.3 45.8 -64.9 -48.1 -2.7 48.4 15.5 200 199 A A H >< S+ 0 0 15 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.933 115.5 45.7 -60.9 -47.3 -1.8 46.8 12.2 201 200 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.742 98.1 72.3 -71.6 -22.7 0.1 43.9 13.8 202 201 A S T 3< S+ 0 0 26 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.683 90.0 62.4 -61.7 -17.4 -2.7 43.3 16.3 203 202 A Q T < S+ 0 0 139 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.537 78.7 106.0 -87.2 -8.2 -4.8 41.9 13.4 204 203 A V < + 0 0 3 -3,-1.6 2,-0.3 -4,-0.2 10,-0.1 -0.550 49.7 173.6 -76.0 133.8 -2.4 39.0 12.7 205 204 A T - 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