==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYL HYDROLASE 19-JAN-95 1CLC . COMPND 2 MOLECULE: ENDOGLUCANASE CELD; EC: 3.2.1.4; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALZARI,M.B.LASCOMBE . 541 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 1 0 0 2 0 2 1 1 2 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 5 3 1 3 3 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 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 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 35 A I 0 0 156 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 55.4 34.1 43.5 2 36 A E - 0 0 92 4,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.706 360.0-151.7 -88.2 132.7 52.5 32.9 45.6 3 37 A T > - 0 0 88 -2,-0.4 3,-1.2 4,-0.0 -1,-0.0 -0.382 36.4 -91.5 -94.2-179.5 50.5 30.0 44.4 4 38 A K T 3 S+ 0 0 213 1,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 0.592 126.9 46.5 -71.3 -7.8 46.9 29.2 45.1 5 39 A V T 3 S+ 0 0 120 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.363 80.5 116.3-113.1 1.5 47.9 27.1 48.1 6 40 A S < - 0 0 65 -3,-1.2 2,-0.3 1,-0.0 -4,-0.1 -0.505 61.3-134.8 -68.4 137.4 50.3 29.6 49.7 7 41 A A - 0 0 57 -2,-0.2 47,-0.1 1,-0.1 -2,-0.1 -0.691 25.9 -89.6 -97.4 155.9 49.0 30.7 53.1 8 42 A A - 0 0 66 -2,-0.3 45,-2.0 45,-0.3 2,-0.4 -0.291 43.8-153.3 -60.9 141.5 49.0 34.2 54.4 9 43 A K B -A 52 0A 115 43,-0.3 43,-0.3 38,-0.1 42,-0.1 -0.943 22.9-100.1-125.1 142.9 52.1 35.3 56.3 10 44 A I - 0 0 27 41,-3.6 42,-0.0 -2,-0.4 37,-0.0 -0.315 30.6-161.0 -57.8 134.3 52.6 37.9 59.0 11 45 A T + 0 0 143 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 0.951 63.8 54.0 -83.7 -60.2 54.0 41.1 57.5 12 46 A E S S- 0 0 59 1,-0.1 2,-0.6 0, 0.0 -2,-0.0 -0.272 81.8-115.4 -79.4 161.4 55.6 43.0 60.4 13 47 A N - 0 0 158 -2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.886 33.9-151.9 -98.9 118.6 58.2 41.8 62.9 14 48 A Y - 0 0 39 -2,-0.6 2,-0.3 79,-0.1 79,-0.1 -0.657 3.6-146.7 -96.5 148.4 56.8 41.7 66.5 15 49 A Q - 0 0 67 -2,-0.3 79,-2.6 77,-0.1 2,-0.1 -0.840 33.7 -95.5-109.5 146.2 58.6 42.1 69.8 16 50 A F B -b 94 0B 94 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.355 41.3-168.5 -60.1 135.6 57.6 40.3 73.0 17 51 A D > - 0 0 33 77,-2.5 3,-1.7 3,-0.1 79,-0.1 -0.989 23.1-143.8-131.9 129.2 55.4 42.3 75.3 18 52 A S T 3 S+ 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 20,-0.1 0.548 92.9 75.5 -64.0 -12.9 54.5 41.4 78.9 19 53 A R T 3 S+ 0 0 92 73,-0.1 19,-3.2 1,-0.1 2,-0.8 0.565 78.0 80.6 -78.8 -7.3 51.0 42.8 78.5 20 54 A I E < -H 37 0C 2 -3,-1.7 2,-0.5 17,-0.2 76,-0.3 -0.891 69.0-173.6-102.1 106.4 50.0 39.7 76.5 21 55 A R E +H 36 0C 29 15,-3.4 15,-2.9 -2,-0.8 2,-0.3 -0.900 17.7 132.5-112.7 119.9 49.3 37.0 79.1 22 56 A L - 0 0 1 -2,-0.5 2,-0.4 13,-0.2 13,-0.1 -0.928 64.6 -59.2-152.5 172.4 48.6 33.4 78.4 23 57 A N - 0 0 0 11,-0.5 438,-0.2 -2,-0.3 434,-0.1 -0.441 45.1-157.9 -60.2 112.1 49.5 29.8 79.3 24 58 A S S S+ 0 0 14 436,-2.0 -1,-0.2 -2,-0.4 450,-0.1 0.457 86.7 50.9 -75.0 -5.7 53.2 29.7 78.5 25 59 A I S S- 0 0 31 1,-0.3 74,-1.8 73,-0.1 2,-0.3 0.834 110.2-114.8 -93.9 -59.8 53.2 25.9 78.1 26 60 A G E -c 99 0B 0 72,-0.2 2,-0.3 58,-0.0 -1,-0.3 -0.993 20.5 -74.3 158.9-165.6 50.3 25.5 75.7 27 61 A F E -c 100 0B 3 72,-2.5 74,-2.3 -2,-0.3 77,-0.2 -0.839 28.2-122.5-132.4 161.7 46.9 24.3 74.8 28 62 A I > - 0 0 3 4,-0.3 3,-1.5 -2,-0.3 74,-0.2 -0.871 38.7-104.2-106.0 134.8 45.1 21.1 74.0 29 63 A P T 3 S+ 0 0 9 0, 0.0 51,-0.1 0, 0.0 3,-0.1 -0.330 105.4 24.6 -59.4 140.0 43.2 20.8 70.7 30 64 A N T 3 S+ 0 0 112 47,-0.3 2,-0.3 1,-0.3 50,-0.1 0.549 106.1 93.0 83.3 12.8 39.5 21.0 71.1 31 65 A H S < S- 0 0 10 -3,-1.5 -1,-0.3 46,-0.1 419,-0.0 -0.847 85.7 -71.9-129.2 164.8 39.6 23.0 74.4 32 66 A S - 0 0 28 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.3 -0.167 39.2-171.1 -58.2 150.6 39.5 26.7 75.2 33 67 A K + 0 0 0 -6,-0.1 43,-2.3 2,-0.0 44,-0.4 -0.955 16.8 161.5-146.1 113.5 42.5 28.9 74.4 34 68 A K E - I 0 75C 45 -2,-0.4 -11,-0.5 41,-0.2 2,-0.3 -0.943 21.0-162.9-135.7 157.9 42.5 32.4 75.7 35 69 A A E - I 0 74C 0 39,-1.6 39,-2.0 -2,-0.3 2,-0.5 -0.950 15.7-138.8-136.2 151.3 44.9 35.2 76.4 36 70 A T E -HI 21 73C 0 -15,-2.9 -15,-3.4 -2,-0.3 2,-0.6 -0.984 15.4-160.4-114.9 125.7 44.5 38.3 78.5 37 71 A I E -HI 20 72C 0 35,-3.1 35,-2.5 -2,-0.5 2,-1.3 -0.947 8.3-159.1-110.5 115.7 45.9 41.5 77.0 38 72 A A S S+ 0 0 16 -19,-3.2 2,-0.3 -2,-0.6 33,-0.1 -0.448 70.1 68.1 -89.8 57.7 46.6 44.3 79.5 39 73 A A S S- 0 0 14 -2,-1.3 2,-0.2 -20,-0.1 33,-0.1 -0.949 94.8 -88.2-166.3 154.0 46.5 47.0 76.8 40 74 A N + 0 0 129 -2,-0.3 2,-0.3 51,-0.1 -2,-0.1 -0.568 69.4 125.5 -71.9 138.2 44.0 48.6 74.5 41 75 A C - 0 0 17 -2,-0.2 3,-0.1 -4,-0.1 50,-0.1 -0.956 35.9-171.3-173.2-179.0 43.8 46.6 71.3 42 76 A S + 0 0 66 1,-0.5 17,-3.2 -2,-0.3 2,-0.2 0.291 64.7 62.4-153.6 -64.3 41.4 44.8 69.0 43 77 A T E +D 58 0B 46 15,-0.3 -1,-0.5 47,-0.1 2,-0.3 -0.537 56.7 172.2 -80.3 141.2 42.8 42.8 66.2 44 78 A F E -D 57 0B 2 13,-2.8 13,-2.7 -2,-0.2 2,-0.4 -0.990 16.9-151.2-145.4 148.4 45.1 39.8 67.1 45 79 A Y E -DE 56 88B 56 43,-2.9 43,-3.0 -2,-0.3 2,-0.7 -0.950 12.2-142.4-121.1 143.5 46.6 37.1 65.0 46 80 A V E -DE 55 87B 0 9,-2.1 8,-2.3 -2,-0.4 9,-1.0 -0.934 33.8-167.5 -99.6 116.6 47.5 33.5 66.0 47 81 A V E -DE 53 86B 0 39,-2.8 39,-1.5 -2,-0.7 6,-0.2 -0.937 19.8-131.3-116.3 132.2 50.8 33.0 64.0 48 82 A K E > - E 0 85B 39 4,-2.6 3,-2.2 -2,-0.4 37,-0.2 -0.321 39.1-104.9 -68.2 159.4 52.7 29.8 63.4 49 83 A E T 3 S+ 0 0 126 35,-1.8 -1,-0.1 1,-0.3 36,-0.1 0.768 119.9 63.5 -62.7 -21.2 56.4 30.1 64.1 50 84 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.1 35,-0.1 0.432 124.5 -98.2 -79.4 -2.4 57.1 30.3 60.4 51 85 A G S < S+ 0 0 8 -3,-2.2 -41,-3.6 1,-0.3 2,-0.4 0.265 74.5 146.8 104.4 -6.7 55.1 33.5 60.0 52 86 A T B -A 9 0A 15 -43,-0.3 -4,-2.6 1,-0.1 2,-0.7 -0.440 46.1-136.0 -71.0 120.7 51.9 31.9 58.8 53 87 A I E +D 47 0B 36 -45,-2.0 -45,-0.3 -2,-0.4 -6,-0.2 -0.646 29.7 170.7 -78.1 114.6 48.7 33.7 59.9 54 88 A V E + 0 0 48 -8,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.643 62.2 10.0 -99.4 -18.8 46.4 30.9 61.0 55 89 A Y E -D 46 0B 75 -9,-1.0 -9,-2.1 24,-0.1 2,-0.4 -0.970 55.1-158.5-165.5 140.3 43.6 33.0 62.6 56 90 A T E +D 45 0B 80 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.990 27.8 153.1-124.6 133.5 42.6 36.6 62.8 57 91 A G E -D 44 0B 10 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.4 -0.898 38.1-114.5-148.2 177.6 40.3 37.8 65.6 58 92 A T E -D 43 0B 95 -2,-0.3 17,-0.3 -15,-0.3 -15,-0.3 -0.985 27.5-127.9-125.2 129.4 39.3 40.8 67.7 59 93 A A - 0 0 13 -17,-3.2 2,-0.4 -2,-0.4 15,-0.2 -0.443 19.7-141.4 -71.0 144.7 39.8 41.0 71.5 60 94 A T E -J 73 0C 89 13,-2.0 13,-3.3 -2,-0.1 2,-0.1 -0.920 17.8-121.4-110.2 137.2 36.8 41.8 73.6 61 95 A S E +J 72 0C 78 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.417 33.0 171.7 -76.1 156.4 37.2 44.1 76.7 62 96 A M E -J 71 0C 45 9,-2.4 9,-3.2 -2,-0.1 2,-0.6 -0.963 33.5-116.9-161.5 141.7 36.2 43.1 80.2 63 97 A F E -J 70 0C 92 -2,-0.3 2,-1.1 7,-0.2 7,-0.3 -0.792 20.8-145.2 -88.7 117.7 36.7 44.6 83.6 64 98 A D E >> -J 69 0C 1 5,-4.2 5,-1.4 -2,-0.6 4,-1.2 -0.764 12.7-170.9 -81.5 102.0 38.9 42.5 85.9 65 99 A N T 45S+ 0 0 100 -2,-1.1 -1,-0.2 3,-0.2 346,-0.1 0.794 82.1 60.6 -61.7 -28.3 37.3 43.2 89.3 66 100 A D T 45S+ 0 0 15 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.991 121.0 19.5 -64.8 -63.9 40.2 41.4 90.8 67 101 A T T 45S- 0 0 8 2,-0.1 -1,-0.2 440,-0.1 -2,-0.2 0.429 104.4-126.1 -87.3 0.5 43.0 43.7 89.6 68 102 A K T <5 + 0 0 147 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.885 68.1 121.9 56.9 43.1 40.4 46.5 89.0 69 103 A E E < - J 0 64C 62 -5,-1.4 -5,-4.2 -7,-0.0 2,-0.5 -0.920 67.7-115.2-132.9 158.2 41.6 46.9 85.4 70 104 A T E + J 0 63C 76 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.2 -0.826 42.0 178.4 -93.5 124.8 40.0 46.7 82.0 71 105 A V E - J 0 62C 0 -9,-3.2 -9,-2.4 -2,-0.5 2,-0.5 -0.873 25.1-125.1-124.4 161.9 41.6 43.9 80.1 72 106 A Y E -IJ 37 61C 41 -35,-2.5 -35,-3.1 -2,-0.3 2,-0.6 -0.945 17.4-146.2-113.4 128.2 41.1 42.5 76.6 73 107 A I E -IJ 36 60C 18 -13,-3.3 -13,-2.0 -2,-0.5 2,-0.7 -0.839 6.9-162.8 -99.2 120.3 40.3 38.8 76.1 74 108 A A E -I 35 0C 0 -39,-2.0 -39,-1.6 -2,-0.6 2,-0.6 -0.872 8.3-166.2 -98.6 111.3 41.7 37.1 72.9 75 109 A D E +I 34 0C 70 -2,-0.7 -41,-0.2 -17,-0.3 -17,-0.1 -0.910 22.3 158.9-103.1 120.5 39.8 33.9 72.3 76 110 A F > + 0 0 0 -43,-2.3 3,-1.3 -2,-0.6 -42,-0.1 -0.146 25.4 131.6-129.6 40.3 41.5 31.6 69.8 77 111 A S T 3 + 0 0 28 -44,-0.4 -47,-0.3 1,-0.3 -46,-0.1 0.707 63.2 69.3 -64.5 -25.0 39.9 28.3 70.8 78 112 A S T 3 S+ 0 0 73 -45,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.749 75.3 93.4 -68.3 -24.0 39.0 27.5 67.1 79 113 A V < + 0 0 8 -3,-1.3 -49,-0.2 1,-0.2 -3,-0.1 -0.614 44.9 154.6 -72.9 115.5 42.7 27.1 66.2 80 114 A N + 0 0 55 -2,-0.6 2,-0.4 -51,-0.1 -1,-0.2 0.395 25.1 114.7-125.3 1.9 43.1 23.3 66.7 81 115 A E S S- 0 0 115 1,-0.1 19,-0.1 -52,-0.0 -2,-0.0 -0.625 70.7-112.1 -80.2 127.9 46.0 22.3 64.4 82 116 A E + 0 0 107 -2,-0.4 2,-0.3 17,-0.1 19,-0.2 -0.248 66.9 90.3 -61.0 140.5 49.1 21.1 66.3 83 117 A G E S- F 0 100B 24 17,-1.9 17,-2.5 -35,-0.0 2,-0.5 -0.959 76.1 -67.7 161.1-175.3 52.2 23.3 66.2 84 118 A T E + F 0 99B 34 -2,-0.3 -35,-1.8 15,-0.2 15,-0.2 -0.935 56.4 165.4-108.3 126.3 54.1 26.1 67.8 85 119 A Y E -EF 48 98B 0 13,-2.7 13,-2.4 -2,-0.5 2,-0.3 -0.747 23.3-154.7-132.9 176.4 52.4 29.5 67.7 86 120 A Y E -E 47 0B 24 -39,-1.5 -39,-2.8 -2,-0.2 2,-0.5 -0.930 25.3-114.9-148.4 159.3 52.5 32.9 69.1 87 121 A L E -E 46 0B 0 9,-0.4 8,-2.2 -2,-0.3 2,-0.5 -0.920 25.1-161.4-102.1 129.2 49.9 35.7 69.5 88 122 A A E -EG 45 94B 0 -43,-3.0 -43,-2.9 -2,-0.5 6,-0.2 -0.969 6.3-173.7-113.7 123.9 50.6 38.9 67.5 89 123 A V E >> - G 0 93B 0 4,-3.1 3,-3.0 -2,-0.5 4,-1.9 -0.888 25.3-128.5-123.9 100.7 48.7 42.0 68.7 90 124 A P T 34 S+ 0 0 48 0, 0.0 -48,-0.3 0, 0.0 -47,-0.1 -0.157 96.0 15.5 -46.6 124.4 49.1 45.0 66.4 91 125 A G T 34 S+ 0 0 87 1,-0.1 -51,-0.1 -50,-0.1 -50,-0.0 0.237 128.6 52.5 93.5 -18.3 50.1 47.9 68.6 92 126 A V T <4 S- 0 0 16 -3,-3.0 2,-0.3 1,-0.3 -1,-0.1 0.706 97.5-123.6-112.5 -58.1 51.1 45.8 71.7 93 127 A G E < - G 0 89B 9 -4,-1.9 -4,-3.1 -76,-0.1 -1,-0.3 -0.992 36.2 -53.4 145.5-149.6 53.6 43.2 70.5 94 128 A K E -bG 16 88B 54 -79,-2.6 -77,-2.5 -2,-0.3 -6,-0.2 -0.862 37.3-122.8-128.0 165.0 53.6 39.4 70.7 95 129 A S - 0 0 1 -8,-2.2 -74,-0.1 -2,-0.3 -77,-0.1 -0.268 44.2 -82.9 -90.8 178.6 53.3 36.7 73.3 96 130 A V - 0 0 38 -76,-0.3 -9,-0.4 1,-0.1 2,-0.2 -0.351 57.8 -90.1 -74.5 165.7 55.8 33.9 74.0 97 131 A N + 0 0 78 -11,-0.1 2,-0.3 -3,-0.1 -11,-0.2 -0.556 52.5 177.7 -75.5 147.0 55.7 30.9 71.8 98 132 A F E - F 0 85B 2 -13,-2.4 -13,-2.7 -2,-0.2 2,-0.3 -0.921 21.4-120.2-143.3 164.7 53.4 28.2 73.0 99 133 A K E -cF 26 84B 115 -74,-1.8 -72,-2.5 -2,-0.3 2,-0.5 -0.780 4.3-153.2-111.4 156.2 52.4 24.8 71.6 100 134 A I E +cF 27 83B 1 -17,-2.5 -17,-1.9 -2,-0.3 2,-0.3 -1.000 45.7 130.7-122.3 114.3 49.0 23.3 70.7 101 135 A A > - 0 0 7 -74,-2.3 3,-1.3 -2,-0.5 4,-0.2 -0.942 65.2-119.0-163.9 151.2 49.3 19.5 71.1 102 136 A M T 3 S+ 0 0 51 -2,-0.3 438,-0.4 1,-0.3 3,-0.2 0.766 117.2 40.8 -66.8 -26.0 47.4 16.7 72.7 103 137 A N T > S+ 0 0 86 1,-0.2 3,-1.5 436,-0.1 4,-0.4 -0.012 74.6 127.0-112.2 27.9 50.3 15.9 74.9 104 138 A V T < S+ 0 0 13 -3,-1.3 4,-0.3 1,-0.2 3,-0.3 0.803 73.6 48.7 -57.0 -29.5 51.3 19.5 75.7 105 139 A Y T 3> S+ 0 0 1 432,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.417 82.5 93.2 -94.6 3.1 51.3 18.9 79.5 106 140 A E H <> S+ 0 0 43 -3,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.891 87.0 45.7 -66.3 -39.8 53.3 15.7 79.7 107 141 A D H > S+ 0 0 117 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.900 112.6 52.4 -69.3 -36.8 56.6 17.3 80.3 108 142 A A H > S+ 0 0 2 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.924 110.2 48.8 -62.9 -41.2 55.1 19.6 82.9 109 143 A F H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 111.5 48.5 -64.1 -45.4 53.6 16.5 84.7 110 144 A K H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.824 112.2 49.8 -64.5 -31.4 56.9 14.7 84.7 111 145 A T H X S+ 0 0 12 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.872 108.6 50.9 -75.3 -38.5 58.6 17.8 86.1 112 146 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.867 112.7 48.1 -66.8 -33.4 56.1 18.2 88.9 113 147 A M H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.821 106.6 55.7 -73.4 -34.1 56.7 14.6 89.7 114 148 A L H X S+ 0 0 20 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.865 101.9 59.5 -63.8 -34.3 60.4 15.2 89.6 115 149 A G H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.931 105.3 47.5 -59.1 -44.5 59.7 17.9 92.2 116 150 A M H >< S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.925 110.2 51.7 -64.6 -44.2 58.3 15.2 94.5 117 151 A Y H >< S+ 0 0 17 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.890 107.5 53.0 -57.9 -41.8 61.2 12.9 94.0 118 152 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.602 101.4 61.4 -72.1 -12.4 63.7 15.7 94.8 119 153 A L T << S+ 0 0 0 -3,-1.3 44,-3.1 -4,-0.6 -1,-0.3 0.401 78.0 130.8 -90.5 1.9 61.8 16.3 98.1 120 154 A R B < -K 162 0D 5 -3,-1.6 2,-0.3 42,-0.2 42,-0.3 -0.280 44.2-151.8 -61.7 144.4 62.6 12.8 99.3 121 155 A C + 0 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