==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-94 1XYN . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.ROUVINEN,A.TORRONEN . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 50.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 1 0.6 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 . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 87 0, 0.0 2,-0.1 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -76.6 26.1 20.0 15.5 2 2 A S - 0 0 86 37,-0.0 2,-0.1 20,-0.0 20,-0.1 -0.270 360.0 -98.5 148.7 120.7 23.7 23.0 15.1 3 3 A I + 0 0 40 18,-0.5 37,-0.2 173,-0.2 3,-0.1 -0.404 49.5 159.5 -59.3 126.5 20.2 22.7 13.7 4 4 A N + 0 0 92 35,-2.2 2,-0.4 1,-0.1 36,-0.2 0.131 53.2 68.3-134.6 14.3 20.3 23.8 10.1 5 5 A Y E -A 39 0A 77 34,-1.3 34,-2.6 154,-0.1 2,-0.6 -0.991 55.7-162.6-142.8 134.2 17.1 22.2 8.8 6 6 A D E -A 38 0A 69 -2,-0.4 2,-0.7 32,-0.2 32,-0.2 -0.954 10.8-153.2-119.0 111.9 13.4 22.9 9.5 7 7 A Q E +A 37 0A 12 30,-3.0 30,-2.3 -2,-0.6 2,-0.3 -0.772 24.6 165.9 -84.3 113.4 10.9 20.2 8.6 8 8 A N E +A 36 0A 89 -2,-0.7 2,-0.4 28,-0.2 28,-0.2 -0.724 7.4 149.3-136.1 89.5 7.6 21.9 7.9 9 9 A Y E +A 35 0A 92 26,-2.3 26,-1.8 -2,-0.3 2,-0.3 -0.958 8.9 148.8-122.7 134.8 5.1 19.7 6.1 10 10 A Q E -A 34 0A 78 -2,-0.4 24,-0.2 24,-0.3 23,-0.1 -0.942 28.0-166.9-165.2 143.8 1.3 20.0 6.5 11 11 A T - 0 0 81 22,-1.2 2,-0.3 1,-0.3 23,-0.1 0.569 64.8 -37.7-110.7 -16.3 -1.8 19.5 4.4 12 12 A G S S+ 0 0 23 20,-0.2 -1,-0.3 21,-0.2 20,-0.2 -0.986 83.9 55.7 172.5 177.5 -4.7 21.1 6.3 13 13 A G S S- 0 0 59 -2,-0.3 2,-0.9 17,-0.1 17,-0.2 -0.083 93.7 -27.4 73.0-169.8 -6.4 22.0 9.6 14 14 A Q E +H 29 0B 124 15,-1.8 15,-2.4 2,-0.0 2,-0.4 -0.723 67.3 156.4 -87.9 103.1 -5.1 23.8 12.6 15 15 A V E -H 28 0B 19 -2,-0.9 2,-0.8 13,-0.2 13,-0.2 -0.941 19.1-171.5-131.1 108.5 -1.3 23.3 12.9 16 16 A S E -H 27 0B 54 11,-3.4 11,-1.2 -2,-0.4 2,-0.5 -0.841 12.7-179.2-103.2 95.7 0.6 25.9 14.9 17 17 A Y E -H 26 0B 28 -2,-0.8 9,-0.2 9,-0.2 -2,-0.1 -0.843 10.2-176.4-101.2 129.8 4.3 25.2 14.4 18 18 A S E -H 25 0B 68 7,-3.1 7,-1.1 -2,-0.5 2,-0.1 -0.837 8.9-165.5-128.3 92.3 7.0 27.3 16.0 19 19 A P E +H 24 0B 64 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.348 12.1 176.7 -72.8 157.4 10.6 26.4 15.1 20 20 A S - 0 0 55 3,-2.3 3,-0.3 -2,-0.1 -17,-0.0 -0.869 45.1 -93.8-149.4 179.0 13.6 27.7 17.1 21 21 A N S S+ 0 0 133 -2,-0.3 -18,-0.5 1,-0.2 3,-0.1 0.816 123.8 28.4 -70.8 -28.5 17.3 27.4 17.4 22 22 A T S S- 0 0 87 -20,-0.1 154,-1.8 155,-0.0 2,-0.3 0.197 131.6 -43.6-117.7 12.0 17.2 24.7 20.0 23 23 A G E - I 0 175B 2 152,-0.3 -3,-2.3 -3,-0.3 2,-0.3 -0.979 60.1 -93.0 164.7-148.7 13.9 22.9 19.1 24 24 A F E -HI 19 174B 9 150,-2.3 150,-2.4 -2,-0.3 2,-0.3 -0.988 12.0-144.0-162.4 167.3 10.3 23.4 18.2 25 25 A S E -HI 18 173B 35 -7,-1.1 -7,-3.1 -2,-0.3 2,-0.3 -0.962 16.5-177.5-139.2 145.0 6.8 23.7 19.4 26 26 A V E -HI 17 172B 0 146,-2.3 146,-2.6 -2,-0.3 2,-0.4 -0.984 12.7-178.6-150.5 139.0 3.5 22.5 17.9 27 27 A N E +HI 16 171B 85 -11,-1.2 -11,-3.4 -2,-0.3 2,-0.3 -0.986 23.4 177.3-131.1 133.4 -0.2 22.7 18.7 28 28 A W E +HI 15 170B 9 142,-2.6 142,-1.7 -2,-0.4 -13,-0.2 -0.962 32.3 172.8-144.2 160.3 -2.6 21.0 16.4 29 29 A N E +HI 14 169B 92 -15,-2.4 -15,-1.8 -2,-0.3 2,-0.3 -0.529 45.0 131.0-162.4 79.1 -6.2 20.1 15.7 30 30 A T E - I 0 168B 5 138,-2.2 138,-2.0 -17,-0.2 137,-0.1 -0.934 56.6-150.2-141.8 160.5 -6.4 18.6 12.3 31 31 A Q S S+ 0 0 148 -2,-0.3 2,-0.3 136,-0.2 -1,-0.1 0.559 82.7 82.3 -98.8 -16.7 -7.7 15.7 10.2 32 32 A D S S- 0 0 73 -20,-0.2 -20,-0.2 134,-0.2 133,-0.1 -0.722 84.9-105.7-100.1 145.8 -4.8 16.0 7.8 33 33 A D + 0 0 46 -2,-0.3 -22,-1.2 -23,-0.1 2,-0.3 -0.255 38.6 172.6 -65.6 143.8 -1.2 14.6 8.1 34 34 A F E -AB 10 165A 1 131,-0.8 131,-1.2 -24,-0.2 2,-0.4 -0.982 19.3-158.5-151.5 146.0 1.6 17.0 8.9 35 35 A V E +AB 9 164A 7 -26,-1.8 -26,-2.3 -2,-0.3 2,-0.3 -0.939 23.9 163.4-131.5 108.2 5.3 16.4 9.7 36 36 A V E +AB 8 163A 0 127,-2.1 127,-2.6 -2,-0.4 2,-0.3 -0.952 14.5 105.0-126.7 151.1 7.1 19.2 11.5 37 37 A G E -AB 7 162A 0 -30,-2.3 -30,-3.0 -2,-0.3 2,-0.3 -0.947 50.4-101.1 164.4 179.0 10.4 19.3 13.4 38 38 A V E +AB 6 161A 2 123,-1.0 123,-1.8 -2,-0.3 -32,-0.2 -0.918 49.8 105.8-130.1 155.8 14.0 20.5 13.3 39 39 A G E -AB 5 160A 0 -34,-2.6 -35,-2.2 -2,-0.3 -34,-1.3 -0.747 58.4 -27.4 179.6-127.1 17.4 18.8 12.7 40 40 A W E - B 0 159A 11 119,-2.6 119,-2.3 -2,-0.2 3,-0.2 -0.931 31.0-134.3-131.7 147.1 20.1 18.6 10.0 41 41 A T S S+ 0 0 62 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.770 104.8 27.6 -62.5 -30.6 20.4 18.9 6.2 42 42 A T S S- 0 0 96 117,-0.1 -1,-0.2 116,-0.1 116,-0.2 -0.955 88.6-135.8-137.6 113.1 22.6 15.7 6.1 43 43 A G - 0 0 10 114,-3.0 2,-0.2 -2,-0.4 113,-0.1 -0.246 24.2-176.5 -68.2 157.9 22.1 13.1 8.8 44 44 A S - 0 0 50 2,-0.2 -1,-0.1 115,-0.1 95,-0.0 -0.627 42.5 -91.2-136.9-165.2 24.9 11.4 10.6 45 45 A S S S+ 0 0 60 -2,-0.2 95,-0.5 94,-0.1 94,-0.1 0.396 77.4 127.2 -94.8 0.2 25.7 8.7 13.2 46 46 A A S S- 0 0 26 1,-0.1 93,-0.2 93,-0.1 2,-0.2 -0.375 71.0-107.9 -65.2 128.4 25.7 11.2 16.1 47 47 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 91,-0.2 -0.425 36.6-135.5 -58.7 122.4 23.4 10.2 19.0 48 48 A I E -J 137 0B 0 89,-2.0 89,-2.2 -2,-0.2 2,-0.4 -0.728 12.6-152.7 -90.5 126.6 20.4 12.5 18.9 49 49 A N E +JK 136 177B 62 128,-2.9 128,-1.8 -2,-0.5 2,-0.3 -0.771 19.9 168.0 -97.8 137.6 19.1 14.1 22.1 50 50 A F E +JK 135 176B 14 85,-2.5 85,-2.7 -2,-0.4 2,-0.3 -0.954 1.6 157.8-143.1 157.6 15.4 15.1 22.5 51 51 A G E + K 0 175B 15 124,-0.8 124,-2.6 -2,-0.3 2,-0.4 -0.937 23.6 73.6-177.0 154.9 13.3 16.1 25.4 52 52 A G E S- K 0 174B 39 -2,-0.3 2,-0.3 122,-0.2 122,-0.2 -0.990 75.2 -35.8 137.6-145.1 10.1 18.0 26.4 53 53 A S E + K 0 173B 58 120,-2.0 120,-1.1 -2,-0.4 2,-0.2 -0.773 36.2 179.9-119.1 163.5 6.5 17.2 26.2 54 54 A F E + K 0 172B 17 -2,-0.3 2,-0.4 118,-0.2 118,-0.2 -0.682 10.8 178.2-165.2 99.1 4.3 15.4 23.7 55 55 A S E - K 0 171B 56 116,-3.3 116,-2.0 -2,-0.2 2,-0.5 -0.920 12.6-166.5-112.7 135.6 0.5 15.2 24.4 56 56 A V E - K 0 170B 23 -2,-0.4 114,-0.3 114,-0.2 3,-0.1 -0.916 5.4-178.6-123.1 99.6 -2.0 13.6 22.0 57 57 A N S S- 0 0 112 112,-1.1 2,-0.3 -2,-0.5 113,-0.2 0.874 71.4 -20.4 -65.1 -37.3 -5.6 14.4 23.1 58 58 A S S S+ 0 0 53 111,-1.6 -1,-0.2 2,-0.1 108,-0.1 -0.964 106.2 30.4-163.2 167.0 -7.1 12.3 20.3 59 59 A G S S- 0 0 22 -2,-0.3 2,-0.4 109,-0.2 108,-0.2 -0.218 98.1 -28.3 73.9-166.1 -6.2 10.8 16.9 60 60 A T E +C 166 0A 11 106,-2.3 106,-1.5 22,-0.0 2,-0.3 -0.735 60.2 172.1 -91.1 134.4 -2.8 9.6 15.7 61 61 A G E -CD 165 83A 0 22,-2.0 22,-2.1 -2,-0.4 2,-0.4 -0.988 7.1-175.7-145.2 131.1 0.4 11.1 17.1 62 62 A L E -CD 164 82A 2 102,-2.3 102,-1.7 -2,-0.3 2,-0.6 -0.989 12.0-165.7-131.9 132.9 4.1 10.1 16.7 63 63 A L E +CD 163 81A 1 18,-2.4 17,-2.6 -2,-0.4 18,-1.6 -0.971 39.1 135.2-113.8 115.6 7.3 11.5 18.3 64 64 A S E -CD 162 79A 6 98,-2.3 98,-2.9 -2,-0.6 2,-0.5 -0.998 63.6 -99.8-160.0 160.1 10.3 10.2 16.4 65 65 A V E -CD 161 78A 2 13,-2.0 13,-1.9 -2,-0.3 2,-0.3 -0.733 53.6-171.5 -78.3 127.1 13.7 10.7 14.7 66 66 A Y E +CD 160 77A 10 94,-3.2 94,-2.9 -2,-0.5 2,-0.3 -0.967 14.0 139.2-126.4 146.7 12.6 11.0 11.1 67 67 A G E -CD 159 76A 0 9,-1.9 9,-2.1 -2,-0.3 2,-0.3 -0.971 33.5-119.2-168.8-177.9 14.7 11.1 7.9 68 68 A W E - D 0 75A 5 90,-1.8 89,-1.9 -2,-0.3 2,-0.3 -0.867 12.0-162.7-133.5 167.4 15.4 10.1 4.3 69 69 A S E > -CD 156 74A 0 5,-0.9 5,-1.8 -2,-0.3 2,-0.4 -0.969 12.7-140.6-149.5 150.1 18.1 8.4 2.2 70 70 A T E 5 +C 155 0A 25 85,-2.3 85,-2.9 -2,-0.3 3,-0.2 -0.930 69.4 42.6-122.4 147.0 18.8 8.3 -1.5 71 71 A N T 5S+ 0 0 134 -2,-0.4 -1,-0.2 83,-0.2 84,-0.1 0.941 130.8 31.9 50.2 71.5 20.0 5.6 -3.8 72 72 A P T 5S- 0 0 50 0, 0.0 2,-0.6 0, 0.0 82,-0.5 0.461 109.3-131.7 -77.4 158.6 18.0 3.7 -2.6 73 73 A L T 5 + 0 0 23 -3,-0.2 49,-0.9 47,-0.2 2,-0.4 -0.661 37.7 172.4 -78.0 118.2 15.2 6.1 -1.6 74 74 A V E < -De 69 122A 1 -5,-1.8 -5,-0.9 -2,-0.6 2,-0.6 -0.987 27.2-160.7-136.9 130.4 14.3 5.3 2.0 75 75 A E E -De 68 123A 16 47,-2.0 49,-1.5 -2,-0.4 2,-0.3 -0.918 25.2-173.1-106.1 123.0 12.0 7.0 4.6 76 76 A Y E -De 67 124A 0 -9,-2.1 -9,-1.9 -2,-0.6 2,-0.3 -0.870 14.1-170.1-123.3 154.8 12.9 6.0 8.1 77 77 A Y E -De 66 125A 14 47,-2.1 49,-1.9 -2,-0.3 2,-0.4 -0.983 14.1-168.1-137.3 148.2 11.4 6.4 11.6 78 78 A I E -De 65 126A 0 -13,-1.9 -13,-2.0 -2,-0.3 2,-0.4 -0.836 26.9-156.1-136.0 83.0 12.7 5.7 15.0 79 79 A M E +De 64 127A 0 47,-1.8 49,-2.7 -2,-0.4 -15,-0.3 -0.590 24.3 175.3 -70.7 120.8 9.6 6.2 17.1 80 80 A E E S+ 0 0 3 -17,-2.6 52,-2.7 -2,-0.4 2,-0.3 0.605 77.6 10.9 -96.4 -15.9 10.2 7.0 20.7 81 81 A D E +D 63 0A 11 -18,-1.6 -18,-2.4 50,-0.3 -1,-0.4 -0.982 66.4 169.2-161.3 148.1 6.5 7.5 21.2 82 82 A N E -D 62 0A 41 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.960 12.0-163.7-164.8 144.6 3.2 6.8 19.3 83 83 A H E S-D 61 0A 65 -22,-2.1 -22,-2.0 -2,-0.3 -25,-0.0 -0.998 77.0 -7.3-135.8 134.6 -0.5 6.9 19.9 84 84 A N S S+ 0 0 113 -2,-0.4 -1,-0.1 -24,-0.2 -22,-0.1 0.889 83.5 166.3 48.0 46.8 -3.2 5.3 17.7 85 85 A Y - 0 0 39 -25,-0.1 2,-1.6 -24,-0.1 -1,-0.2 -0.857 39.4-132.7 -98.1 111.8 -0.6 4.5 15.1 86 86 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.427 25.5-136.1 -63.7 85.5 -1.9 2.0 12.5 87 87 A A - 0 0 51 -2,-1.6 2,-0.3 1,-0.1 -3,-0.0 -0.252 31.2-170.3 -49.8 98.5 1.1 -0.3 12.5 88 88 A Q + 0 0 103 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 -0.764 34.7 11.5-102.0 142.4 1.6 -0.9 8.8 89 89 A G S S- 0 0 39 -2,-0.3 2,-0.4 16,-0.1 18,-0.2 -0.736 92.3 -32.2 109.3-151.3 3.9 -3.3 7.0 90 90 A T E -F 106 0A 84 16,-2.8 16,-2.1 -2,-0.3 2,-0.2 -0.950 46.7-128.7-121.6 130.4 6.0 -6.3 8.0 91 91 A V E +F 105 0A 77 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.569 25.3 178.1 -75.1 137.4 7.8 -7.0 11.3 92 92 A K E - 0 0 89 12,-3.1 2,-0.3 1,-0.3 13,-0.2 0.694 49.1 -78.1-110.9 -32.6 11.4 -7.9 10.7 93 93 A G E -F 104 0A 24 11,-1.0 11,-2.5 2,-0.0 -1,-0.3 -0.949 50.0 -76.5 166.5-147.3 12.8 -8.3 14.2 94 94 A T E -F 103 0A 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.910 18.3-162.1-144.1 172.1 14.1 -6.2 17.1 95 95 A V E -F 102 0A 18 7,-1.2 7,-2.5 -2,-0.3 2,-0.6 -0.949 18.0-139.4-156.8 131.8 17.0 -4.2 18.5 96 96 A T E +F 101 0A 100 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.908 39.5 153.9 -98.1 121.6 17.6 -3.2 22.0 97 97 A S E > -F 100 0A 4 3,-3.0 3,-1.3 -2,-0.6 -2,-0.1 -0.988 52.1 -3.2-153.1 140.2 18.8 0.4 22.2 98 98 A D T 3 S- 0 0 42 -2,-0.3 38,-0.2 1,-0.3 3,-0.1 0.789 129.9 -36.8 49.7 47.8 18.9 3.2 24.7 99 99 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.435 126.1 47.5 92.3 -0.6 16.9 1.6 27.6 100 100 A A E < S-F 97 0A 8 -3,-1.3 -3,-3.0 29,-0.0 2,-0.3 -0.983 77.2-100.5-161.9 170.7 14.4 -0.4 25.6 101 101 A T E -F 96 0A 50 -2,-0.3 28,-3.1 -5,-0.3 2,-0.4 -0.726 29.7-152.9 -98.5 150.3 13.7 -2.8 22.7 102 102 A Y E -FG 95 128A 0 -7,-2.5 -7,-1.2 -2,-0.3 2,-0.6 -0.968 11.3-135.7-124.4 137.1 12.3 -1.7 19.4 103 103 A T E -FG 94 127A 34 24,-2.2 24,-2.4 -2,-0.4 2,-0.4 -0.818 25.4-141.7 -92.7 125.0 10.2 -3.7 16.9 104 104 A I E -FG 93 126A 0 -11,-2.5 -12,-3.1 -2,-0.6 -11,-1.0 -0.738 21.5-177.5 -90.4 136.8 11.5 -3.2 13.4 105 105 A W E -FG 91 125A 49 20,-2.4 20,-2.3 -2,-0.4 2,-0.4 -0.925 15.8-154.6-129.9 154.9 9.1 -3.0 10.5 106 106 A E E +FG 90 124A 43 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.3 -0.994 22.5 169.3-129.3 135.8 9.5 -2.6 6.7 107 107 A N E - G 0 123A 26 16,-1.7 16,-2.6 -2,-0.4 2,-0.4 -0.906 24.6-133.3-141.7 166.3 6.8 -1.1 4.7 108 108 A T E - G 0 122A 69 -2,-0.3 2,-0.6 14,-0.3 14,-0.2 -0.984 6.0-158.5-129.4 137.1 6.3 0.2 1.1 109 109 A R E - G 0 121A 93 12,-2.9 12,-1.9 -2,-0.4 3,-0.5 -0.968 14.8-155.0-115.4 109.4 4.8 3.5 0.0 110 110 A V E S- 0 0 83 -2,-0.6 10,-0.2 1,-0.2 -2,-0.0 -0.780 72.7 -11.8 -90.7 129.0 3.5 3.3 -3.6 111 111 A N E S+ 0 0 122 -2,-0.5 -1,-0.2 1,-0.2 9,-0.2 0.925 96.7 151.2 49.8 51.4 3.3 6.6 -5.5 112 112 A E E - G 0 119A 70 7,-3.4 7,-3.4 -3,-0.5 -1,-0.2 -0.832 53.2 -91.1-111.9 151.6 3.8 8.6 -2.4 113 113 A P E + G 0 118A 70 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.349 56.0 160.6 -62.6 138.5 5.3 12.1 -2.0 114 114 A S E > - G 0 117A 23 3,-0.8 3,-1.8 -2,-0.0 -46,-0.0 -0.878 58.4 -88.2-146.9 179.1 9.0 12.1 -1.4 115 115 A I T 3 S+ 0 0 62 1,-0.3 3,-0.1 -2,-0.3 -45,-0.0 0.563 129.5 50.8 -69.1 -9.0 12.1 14.3 -1.5 116 116 A Q T 3 S- 0 0 113 1,-0.6 -1,-0.3 0, 0.0 2,-0.2 0.199 126.8 -95.6-111.5 12.9 12.4 13.0 -5.1 117 117 A G E < S- G 0 114A 40 -3,-1.8 -3,-0.8 2,-0.1 -1,-0.6 -0.594 80.7 -18.6 98.3-169.8 8.9 13.9 -6.0 118 118 A T E S+ G 0 113A 113 -5,-0.2 2,-0.3 -2,-0.2 -7,-0.1 -0.601 88.9 145.8 -73.0 123.6 6.0 11.4 -5.9 119 119 A A E - G 0 112A 23 -7,-3.4 -7,-3.4 -2,-0.4 2,-0.5 -0.892 51.4-104.5-148.2 177.7 7.7 7.9 -5.8 120 120 A T E + 0 0 74 -2,-0.3 2,-0.3 -9,-0.2 -10,-0.2 -0.956 52.3 144.2-112.3 129.9 7.5 4.4 -4.6 121 121 A F E - G 0 109A 7 -12,-1.9 -12,-2.9 -2,-0.5 2,-0.2 -0.967 42.8-100.8-157.9 169.5 10.0 3.5 -1.8 122 122 A N E -eG 74 108A 56 -49,-0.9 -47,-2.0 -2,-0.3 2,-0.4 -0.527 22.9-141.2 -98.4 164.2 10.4 1.5 1.4 123 123 A Q E -eG 75 107A 4 -16,-2.6 -16,-1.7 -49,-0.2 2,-0.6 -0.985 3.2-158.2-125.3 134.8 10.2 2.6 5.0 124 124 A Y E -eG 76 106A 9 -49,-1.5 -47,-2.1 -2,-0.4 2,-0.4 -0.952 22.1-175.7-113.1 110.6 12.4 1.3 7.8 125 125 A I E -eG 77 105A 1 -20,-2.3 -20,-2.4 -2,-0.6 2,-0.5 -0.907 20.2-169.7-115.9 138.4 10.7 1.8 11.1 126 126 A S E -eG 78 104A 0 -49,-1.9 -47,-1.8 -2,-0.4 2,-0.7 -0.968 13.1-165.5-121.6 108.1 11.9 1.2 14.7 127 127 A V E -eG 79 103A 15 -24,-2.4 -24,-2.2 -2,-0.5 -47,-0.2 -0.873 19.3-128.9-102.3 114.5 9.1 1.4 17.2 128 128 A R E - G 0 102A 16 -49,-2.7 -26,-0.2 -2,-0.7 -46,-0.1 -0.351 6.8-149.4 -60.4 129.2 10.1 1.7 20.8 129 129 A N S S+ 0 0 82 -28,-3.1 -1,-0.1 1,-0.3 -27,-0.1 0.710 93.1 46.8 -74.0 -20.9 8.3 -0.8 23.1 130 130 A S S S- 0 0 73 -29,-0.3 -1,-0.3 -49,-0.0 -2,-0.1 -0.804 92.6-140.8-124.1 89.7 8.5 1.5 26.0 131 131 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -50,-0.3 -0.101 27.1 171.4 -51.7 139.9 7.4 5.0 24.8 132 132 A R - 0 0 49 -52,-2.7 -69,-0.1 -69,-0.1 3,-0.1 -0.938 34.8-152.8-146.3 163.9 9.2 8.1 26.2 133 133 A T S S+ 0 0 44 -2,-0.3 2,-0.3 1,-0.2 -81,-0.2 0.286 83.4 50.5-121.3 5.3 9.3 11.9 25.5 134 134 A S S S+ 0 0 69 -83,-0.2 2,-0.3 -54,-0.1 -83,-0.3 -0.994 76.3 73.5-146.3 134.7 12.9 12.5 26.7 135 135 A G E -J 50 0B 21 -85,-2.7 -85,-2.5 -2,-0.3 2,-0.4 -0.995 65.9 -70.2 160.4-168.2 16.1 10.7 25.8 136 136 A T E -J 49 0B 52 -2,-0.3 2,-0.5 -87,-0.2 -87,-0.2 -0.965 29.2-153.4-124.3 142.6 19.0 10.0 23.5 137 137 A V E -J 48 0B 0 -89,-2.2 -89,-2.0 -2,-0.4 2,-1.7 -0.936 6.4-152.5-122.1 103.0 18.7 7.9 20.3 138 138 A T >> - 0 0 36 -2,-0.5 3,-1.0 -91,-0.2 4,-0.7 -0.608 15.6-168.8 -73.9 88.2 21.9 6.2 19.2 139 139 A V H 3> S+ 0 0 0 -2,-1.7 4,-2.1 -93,-0.2 3,-0.5 0.749 75.7 65.0 -53.3 -30.9 21.0 6.1 15.5 140 140 A Q H 3> S+ 0 0 63 -95,-0.5 4,-2.9 1,-0.2 5,-0.2 0.882 94.0 60.0 -63.4 -38.4 23.9 3.8 14.5 141 141 A N H <> S+ 0 0 65 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.853 109.2 44.6 -57.4 -34.5 22.4 0.9 16.5 142 142 A H H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.5 -1,-0.2 0.896 112.2 50.0 -77.3 -39.9 19.2 1.2 14.4 143 143 A F H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.870 113.3 47.2 -65.8 -36.8 21.2 1.5 11.1 144 144 A N H X S+ 0 0 96 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.957 113.9 46.5 -67.7 -49.3 23.2 -1.6 12.0 145 145 A A H X S+ 0 0 13 -4,-1.9 4,-0.9 -5,-0.2 6,-0.2 0.872 113.3 50.2 -60.2 -39.0 20.1 -3.6 13.1 146 146 A W H ><>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 3,-0.9 0.950 111.0 48.0 -65.6 -47.8 18.3 -2.5 9.9 147 147 A A H ><5S+ 0 0 62 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.894 107.5 56.0 -60.0 -41.5 21.3 -3.5 7.7 148 148 A S H 3<5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.708 107.9 48.7 -65.6 -22.2 21.5 -6.9 9.4 149 149 A L T <<5S- 0 0 65 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.272 128.3 -96.1 -99.4 8.5 17.9 -7.7 8.6 150 150 A G T < 5S+ 0 0 56 -3,-1.7 2,-1.4 1,-0.2 -3,-0.2 0.541 80.3 139.1 90.0 5.6 18.3 -6.7 4.9 151 151 A L < - 0 0 1 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.713 39.8-162.2 -87.4 90.4 17.0 -3.1 5.4 152 152 A H - 0 0 130 -2,-1.4 2,-0.2 -3,-0.1 -5,-0.0 -0.636 5.8-160.4 -82.4 125.1 19.6 -1.4 3.1 153 153 A L - 0 0 39 -2,-0.4 -80,-0.1 -10,-0.1 3,-0.1 -0.663 3.1-163.3-102.8 157.8 20.2 2.4 3.3 154 154 A G - 0 0 28 -82,-0.5 2,-0.3 1,-0.3 -83,-0.2 0.026 52.5 -19.4-111.9-141.1 21.8 4.7 0.8 155 155 A Q E S- C 0 70A 126 -85,-2.9 -85,-2.3 -84,-0.1 -1,-0.3 -0.536 74.6-109.8 -71.7 134.3 23.3 8.3 1.0 156 156 A M E + C 0 69A 56 -2,-0.3 -87,-0.2 -87,-0.2 2,-0.1 -0.419 41.3 173.3 -69.2 130.4 22.1 10.2 4.0 157 157 A N E - 0 0 51 -89,-1.9 -114,-3.0 1,-0.4 -117,-0.1 -0.148 51.4 -21.3-111.2-147.2 19.7 13.1 3.3 158 158 A Y E - 0 0 19 -116,-0.2 -90,-1.8 -2,-0.1 -1,-0.4 -0.167 54.9-167.4 -66.7 155.6 17.9 15.2 6.0 159 159 A Q E +BC 40 67A 1 -119,-2.3 -119,-2.6 -92,-0.2 -92,-0.2 -0.920 15.8 162.1-146.5 113.7 17.4 13.9 9.6 160 160 A V E -BC 39 66A 0 -94,-2.9 -94,-3.2 -2,-0.3 2,-0.6 -0.739 43.8-116.3-128.6 171.2 15.1 15.6 12.0 161 161 A V E -BC 38 65A 3 -123,-1.8 -123,-1.0 -96,-0.3 2,-0.3 -0.980 53.1-179.1-105.5 113.9 13.2 15.0 15.3 162 162 A A E -BC 37 64A 3 -98,-2.9 -98,-2.3 -2,-0.6 2,-0.4 -0.862 33.5-146.6-126.4 158.3 9.6 15.3 14.2 163 163 A V E -BC 36 63A 0 -127,-2.6 -127,-2.1 -2,-0.3 2,-0.4 -0.959 24.5-175.8-115.8 133.7 6.0 15.1 15.4 164 164 A E E +BC 35 62A 15 -102,-1.7 -102,-2.3 -2,-0.4 2,-0.3 -0.991 12.3 145.7-134.2 141.8 3.5 13.7 13.0 165 165 A G E +BC 34 61A 0 -131,-1.2 -131,-0.8 -2,-0.4 2,-0.3 -0.986 19.1 174.8-164.9 175.2 -0.3 13.5 13.3 166 166 A W E + C 0 60A 76 -106,-1.5 -106,-2.3 -2,-0.3 -135,-0.2 -0.932 60.3 49.1-177.4 162.8 -3.8 13.5 12.0 167 167 A G S S+ 0 0 28 -2,-0.3 2,-0.3 -108,-0.2 -136,-0.2 0.626 109.0 8.0 70.9 16.9 -7.4 12.8 13.2 168 168 A G E S-I 30 0B 6 -138,-2.0 -138,-2.2 -108,-0.1 2,-0.2 -0.964 80.8 -67.0 176.6-157.6 -7.3 14.9 16.3 169 169 A S E +I 29 0B 29 -2,-0.3 -111,-1.6 -140,-0.3 -112,-1.1 -0.769 44.7 127.4-124.6 167.2 -5.5 17.4 18.6 170 170 A G E -IK 28 56B 5 -142,-1.7 -142,-2.6 -114,-0.3 2,-0.3 -0.954 33.9-125.8 168.7-177.0 -2.4 17.6 20.8 171 171 A S E -IK 27 55B 38 -116,-2.0 -116,-3.3 -2,-0.3 2,-0.3 -0.984 13.4-171.0-154.4 158.6 0.7 19.6 21.5 172 172 A A E -IK 26 54B 0 -146,-2.6 -146,-2.3 -2,-0.3 2,-0.4 -0.974 10.8-171.7-157.4 136.8 4.5 19.2 21.8 173 173 A S E +IK 25 53B 61 -120,-1.1 -120,-2.0 -2,-0.3 2,-0.4 -0.945 25.8 176.7-131.5 105.9 7.5 21.2 23.0 174 174 A Q E -IK 24 52B 5 -150,-2.4 -150,-2.3 -2,-0.4 2,-0.5 -0.926 26.7-146.9-121.7 144.1 10.7 19.5 22.2 175 175 A S E -IK 23 51B 73 -124,-2.6 -124,-0.8 -2,-0.4 2,-0.4 -0.893 24.1-163.9-104.1 130.5 14.4 20.4 22.5 176 176 A V E + K 0 50B 6 -154,-1.8 2,-0.3 -2,-0.5 -126,-0.2 -0.945 21.4 129.4-122.8 138.8 16.7 18.9 19.8 177 177 A S E K 0 49B 58 -128,-1.8 -128,-2.9 -2,-0.4 -155,-0.0 -0.986 360.0 360.0-172.1 170.2 20.5 18.4 19.5 178 178 A N 0 0 62 -2,-0.3 -130,-0.1 -130,-0.2 -175,-0.1 -0.855 360.0 360.0-162.1 360.0 23.4 16.2 18.8