==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-11 4A3W . COMPND 2 MOLECULE: ARCHAEMETZINCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.GRAEF,M.SCHACHERL,U.BAUMANN . 158 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 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 0 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 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 0 110 0, 0.0 28,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.6 -60.2 4.4 3.4 2 2 A K E -a 29 0A 93 61,-0.2 2,-0.4 26,-0.2 28,-0.2 -0.982 360.0-150.6-132.1 147.9 -57.4 2.3 4.8 3 3 A I E -a 30 0A 0 26,-2.6 28,-2.8 -2,-0.3 2,-0.6 -0.980 5.0-160.7-122.0 128.9 -54.4 3.5 6.8 4 4 A Y E -ab 31 65A 58 60,-3.1 62,-2.8 -2,-0.4 2,-0.6 -0.938 7.6-154.3-112.5 118.3 -51.0 1.6 6.7 5 5 A I E -ab 32 66A 0 26,-3.1 28,-2.9 -2,-0.6 62,-0.2 -0.832 4.7-164.5 -96.2 119.7 -48.6 2.3 9.5 6 6 A Q E - b 0 67A 29 60,-2.4 62,-2.2 -2,-0.6 2,-0.2 -0.864 12.7-146.5-102.6 101.4 -45.0 1.8 8.7 7 7 A P E - b 0 68A 6 0, 0.0 29,-1.3 0, 0.0 2,-0.4 -0.510 18.0-176.8 -64.9 132.9 -42.9 1.6 11.9 8 8 A L E -cb 36 69A 15 60,-2.8 62,-0.7 -2,-0.2 63,-0.4 -0.844 69.3 -35.8-135.3 96.2 -39.4 3.1 11.3 9 9 A S S S+ 0 0 32 27,-2.2 61,-1.9 -2,-0.4 2,-0.3 0.955 104.6 126.6 53.3 56.5 -37.1 2.8 14.3 10 10 A V - 0 0 24 59,-0.2 -1,-0.2 26,-0.2 26,-0.1 -0.981 64.8-101.1-141.3 148.9 -39.9 3.3 16.8 11 11 A N > - 0 0 95 -2,-0.3 4,-1.0 1,-0.1 3,-0.2 -0.249 29.3-119.8 -73.7 162.7 -40.9 1.3 19.8 12 12 A S H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.792 107.6 64.3 -79.9 -24.5 -43.9 -1.1 19.5 13 13 A H H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 101.1 51.6 -59.5 -45.7 -46.0 0.6 22.2 14 14 A T H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 110.6 49.4 -58.6 -38.5 -46.1 3.8 20.1 15 15 A V H X S+ 0 0 10 -4,-1.0 4,-2.7 1,-0.2 3,-0.2 0.927 108.5 51.3 -68.4 -45.3 -47.4 1.8 17.2 16 16 A E H X S+ 0 0 106 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.857 103.9 59.7 -59.7 -38.2 -50.1 0.0 19.2 17 17 A V H X S+ 0 0 10 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.914 111.7 39.3 -55.2 -45.6 -51.3 3.4 20.5 18 18 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 3,-0.2 0.907 111.9 56.1 -74.3 -42.3 -52.0 4.5 16.9 19 19 A A H < S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.6 44.0 -56.1 -37.8 -53.4 1.1 15.8 20 20 A N H < S+ 0 0 114 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.773 122.3 33.4 -81.8 -26.0 -55.9 1.2 18.6 21 21 A S H X S+ 0 0 23 -4,-1.2 4,-1.7 -3,-0.2 3,-0.4 0.833 105.1 64.4-100.5 -38.2 -57.1 4.9 18.3 22 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.860 92.2 64.1 -58.5 -38.9 -56.9 5.7 14.6 23 23 A P H >>S+ 0 0 39 0, 0.0 5,-1.2 0, 0.0 4,-1.1 0.900 109.3 37.5 -56.6 -45.4 -59.6 3.2 13.4 24 24 A K H 45S+ 0 0 183 -3,-0.4 -2,-0.2 -4,-0.3 3,-0.1 0.895 114.7 55.0 -72.5 -42.4 -62.5 4.9 15.3 25 25 A I H <5S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.906 124.9 22.9 -55.4 -45.5 -61.3 8.4 14.7 26 26 A F H <5S- 0 0 18 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.440 95.7-128.2-105.7 1.1 -61.2 8.0 10.9 27 27 A N T <5S+ 0 0 149 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.968 70.0 123.2 45.3 57.1 -63.7 5.1 10.4 28 28 A A S - 0 0 35 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.330 14.9-142.9 -71.7 133.6 -32.8 4.5 6.4 40 40 A L G > S+ 0 0 130 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.684 98.0 76.8 -66.0 -18.0 -29.3 6.0 6.9 41 41 A K G 3 S+ 0 0 182 1,-0.2 -1,-0.3 13,-0.0 -2,-0.1 0.813 96.8 47.2 -56.1 -30.5 -29.7 7.5 3.4 42 42 A a G < S+ 0 0 6 -3,-1.9 9,-2.3 12,-0.1 -1,-0.2 0.520 89.1 112.2 -92.2 -6.9 -31.9 10.1 5.2 43 43 A Y E < -F 50 0B 90 -3,-1.0 2,-0.6 -4,-0.3 7,-0.2 -0.445 52.3-158.2 -71.0 136.3 -29.5 10.7 8.1 44 44 A N E >>> -F 49 0B 43 5,-2.4 4,-2.0 -2,-0.2 5,-1.4 -0.917 5.1-168.7-113.9 100.5 -27.8 14.1 8.3 45 45 A A T 345S+ 0 0 70 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.834 82.5 59.7 -62.5 -37.4 -24.7 13.5 10.4 46 46 A S T 345S+ 0 0 111 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.911 118.9 28.7 -54.3 -45.0 -24.0 17.2 10.9 47 47 A R T <45S- 0 0 90 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.648 98.5-131.2 -93.0 -17.7 -27.4 17.7 12.6 48 48 A R T <5S+ 0 0 201 -4,-2.0 2,-0.3 1,-0.3 24,-0.2 0.886 73.5 109.0 59.3 40.3 -27.8 14.3 14.1 49 49 A Q E < -F 44 0B 15 -5,-1.4 -5,-2.4 22,-0.1 2,-0.3 -0.967 68.9-120.4-138.4 156.4 -31.3 14.3 12.6 50 50 A Y E -Fg 43 73B 26 22,-2.5 24,-2.0 -2,-0.3 2,-0.5 -0.738 31.6-112.8 -95.5 148.2 -33.1 12.5 9.7 51 51 A N E > - g 0 74B 31 -9,-2.3 4,-2.0 -2,-0.3 24,-0.2 -0.706 18.5-151.2 -84.2 123.7 -34.7 14.5 6.9 52 52 A S H > S+ 0 0 0 22,-3.0 4,-2.3 -2,-0.5 -1,-0.1 0.852 94.0 51.8 -64.4 -39.0 -38.5 14.2 6.9 53 53 A T H > S+ 0 0 30 21,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.880 109.2 50.4 -67.0 -38.9 -38.9 14.6 3.2 54 54 A a H > S+ 0 0 37 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.899 112.2 47.3 -65.6 -41.8 -36.3 11.9 2.4 55 55 A I H >X S+ 0 0 5 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.915 111.3 52.0 -63.9 -41.9 -38.1 9.5 4.8 56 56 A L H >< S+ 0 0 5 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.896 105.4 54.3 -61.9 -40.6 -41.5 10.3 3.3 57 57 A R H 3< S+ 0 0 179 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.632 102.3 58.4 -75.5 -12.1 -40.3 9.6 -0.3 58 58 A M H << S+ 0 0 109 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.605 87.5 91.2 -90.7 -14.4 -39.1 6.1 0.7 59 59 A L S << S- 0 0 9 -3,-1.1 32,-0.1 -4,-0.6 6,-0.0 -0.488 94.7 -95.2 -72.3 151.2 -42.6 5.1 1.9 60 60 A P - 0 0 53 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 -0.505 34.4-122.0 -64.2 133.9 -44.9 3.4 -0.7 61 61 A P + 0 0 93 0, 0.0 2,-0.5 0, 0.0 30,-0.1 -0.436 65.4 135.7 -78.0 69.5 -47.2 6.1 -2.2 62 62 A I - 0 0 91 -2,-2.3 2,-0.3 28,-0.1 -58,-0.3 -0.965 62.9 -92.2-123.9 113.3 -50.3 4.3 -1.2 63 63 A K S S+ 0 0 112 -2,-0.5 -61,-0.2 1,-0.3 28,-0.1 -0.517 108.9 17.2 -68.0 122.9 -53.2 6.3 0.4 64 64 A V S S+ 0 0 0 26,-0.5 -60,-3.1 -2,-0.3 2,-0.5 0.447 78.1 151.1-109.2 128.3 -53.0 6.4 3.3 65 65 A T E -bd 4 91A 2 25,-2.4 27,-2.2 -62,-0.2 2,-0.6 -0.960 18.5-172.0-114.6 123.1 -49.5 5.4 4.4 66 66 A L E -bd 5 92A 0 -62,-2.8 -60,-2.4 -2,-0.5 2,-0.4 -0.943 8.6-157.2-114.7 113.4 -48.1 6.9 7.7 67 67 A G E -bd 6 93A 0 25,-2.8 27,-2.4 -2,-0.6 2,-0.5 -0.731 10.8-162.5 -83.7 137.8 -44.5 6.2 8.6 68 68 A V E +bd 7 94A 0 -62,-2.2 -60,-2.8 -2,-0.4 2,-0.3 -0.985 11.3 178.9-127.0 120.8 -43.9 6.6 12.3 69 69 A T E -bd 8 95A 0 25,-2.6 27,-2.2 -2,-0.5 28,-0.4 -0.889 33.1-152.1-124.4 152.2 -40.3 7.1 13.7 70 70 A G S S+ 0 0 23 -61,-1.9 2,-0.2 -62,-0.7 -60,-0.2 0.520 73.2 98.1 -91.5 -10.4 -38.7 7.5 17.1 71 71 A K S S- 0 0 91 -63,-0.4 26,-0.4 -62,-0.2 2,-0.2 -0.486 84.4-105.2 -81.5 150.1 -35.8 9.5 15.5 72 72 A D - 0 0 17 -24,-0.2 -22,-2.5 -2,-0.2 2,-0.3 -0.532 43.2-166.2 -72.9 135.6 -35.7 13.3 15.5 73 73 A I E -gH 50 81B 0 8,-0.5 8,-1.9 -24,-0.2 2,-0.3 -0.854 11.7-172.4-126.4 160.1 -36.4 14.7 12.1 74 74 A Y E -g 51 0B 26 -24,-2.0 -22,-3.0 -2,-0.3 -21,-0.4 -0.889 10.0-148.1-139.5 168.4 -36.1 18.1 10.3 75 75 A A > - 0 0 16 -2,-0.3 3,-2.2 3,-0.2 -24,-0.0 -0.900 48.9 -64.7-132.6 167.0 -37.1 19.7 7.1 76 76 A K T 3 S+ 0 0 192 -2,-0.3 3,-0.1 1,-0.3 -25,-0.0 -0.275 124.0 9.2 -55.7 124.8 -35.4 22.4 5.0 77 77 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.605 108.8 109.0 81.4 14.1 -35.3 25.7 7.0 78 78 A M < - 0 0 80 -3,-2.2 -1,-0.2 1,-0.1 -3,-0.2 -0.969 64.1-147.8-125.8 136.7 -36.5 24.0 10.2 79 79 A N S S- 0 0 136 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.888 90.1 -26.7 -56.3 -44.3 -34.8 23.3 13.5 80 80 A F - 0 0 46 -6,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.962 59.6-146.3-162.1 160.5 -37.1 20.3 13.7 81 81 A V B -H 73 0B 16 -8,-1.9 -8,-0.5 -2,-0.3 17,-0.2 -0.966 17.1-140.1-130.6 153.8 -40.5 19.2 12.5 82 82 A F S S- 0 0 17 -2,-0.3 13,-2.9 1,-0.2 2,-0.3 0.674 79.5 -51.9 -77.7 -19.7 -43.0 16.9 14.2 83 83 A G E -E 94 0A 11 11,-0.3 2,-0.3 -10,-0.1 11,-0.2 -0.977 51.3-117.1 170.6-169.1 -43.7 15.3 10.8 84 84 A E E -E 93 0A 54 9,-2.2 9,-2.8 -2,-0.3 2,-0.3 -0.926 19.7-170.2-164.8 137.1 -44.6 16.0 7.2 85 85 A A E -E 92 0A 24 -2,-0.3 2,-0.8 7,-0.3 7,-0.2 -0.945 30.2-117.1-132.5 151.1 -47.6 15.1 4.9 86 86 A E > - 0 0 54 5,-2.5 3,-2.1 -2,-0.3 2,-0.4 -0.802 40.5-127.1 -81.9 113.6 -48.4 15.2 1.2 87 87 A L T 3 S- 0 0 100 -2,-0.8 35,-0.2 1,-0.3 34,-0.1 -0.510 90.8 -8.1 -67.2 118.5 -51.4 17.6 1.2 88 88 A G T 3 S+ 0 0 46 33,-2.3 -1,-0.3 -2,-0.4 34,-0.2 0.655 122.5 100.5 67.4 16.5 -54.1 15.7 -0.6 89 89 A G S < S- 0 0 26 -3,-2.1 -1,-0.1 2,-0.2 3,-0.1 0.299 83.5 -94.3-102.3-130.2 -51.6 13.0 -1.5 90 90 A A S S+ 0 0 14 1,-0.1 -25,-2.4 -27,-0.1 -26,-0.5 0.658 84.6 57.2-126.2 -31.6 -50.9 9.5 -0.1 91 91 A R E +d 65 0A 35 -27,-0.2 -5,-2.5 -28,-0.1 2,-0.3 -0.777 43.4 170.4-119.1 152.3 -48.1 9.6 2.5 92 92 A A E -dE 66 85A 0 -27,-2.2 -25,-2.8 -2,-0.3 2,-0.4 -0.980 16.1-149.2-148.5 158.2 -47.1 11.2 5.7 93 93 A V E -dE 67 84A 0 -9,-2.8 -9,-2.2 -2,-0.3 2,-0.4 -0.979 8.5-167.9-127.0 146.1 -44.4 10.8 8.4 94 94 A L E -dE 68 83A 0 -27,-2.4 -25,-2.6 -2,-0.4 2,-0.5 -0.999 5.4-159.9-129.1 131.6 -44.7 11.4 12.1 95 95 A S E -d 69 0A 1 -13,-2.9 3,-0.2 -2,-0.4 -25,-0.2 -0.962 6.1-168.4-106.6 133.1 -41.8 11.6 14.6 96 96 A V >> + 0 0 5 -27,-2.2 3,-1.2 -2,-0.5 4,-0.7 0.336 64.1 101.4 -95.4 6.5 -42.6 11.1 18.3 97 97 A F G >4 S+ 0 0 95 -26,-0.4 3,-0.9 -28,-0.4 -1,-0.2 0.915 84.3 42.4 -58.7 -47.5 -39.1 12.2 19.3 98 98 A R G 34 S+ 0 0 86 -3,-0.2 -1,-0.3 1,-0.2 42,-0.1 0.497 111.7 59.7 -79.0 -1.3 -40.2 15.7 20.3 99 99 A L G <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -17,-0.1 -2,-0.2 0.531 73.4 125.0-103.0 -10.4 -43.3 14.3 22.0 100 100 A T << + 0 0 93 -3,-0.9 2,-0.3 -4,-0.7 4,-0.0 -0.132 27.1 153.5 -60.2 149.1 -41.6 12.0 24.6 101 101 A T - 0 0 51 1,-0.0 6,-0.1 3,-0.0 -2,-0.0 -0.930 52.1-121.3-170.8 150.6 -42.6 12.4 28.2 102 102 A A S S+ 0 0 107 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 0.692 93.2 91.4 -76.4 -19.2 -42.7 10.3 31.4 103 103 A D > - 0 0 88 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.695 66.7-164.5 -75.1 101.0 -46.4 11.0 31.7 104 104 A S H > S+ 0 0 76 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.807 83.3 49.2 -63.2 -35.4 -47.6 8.0 29.7 105 105 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 111.4 50.0 -73.4 -37.2 -51.2 9.3 29.2 106 106 A L H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 109.9 51.0 -65.0 -43.4 -49.9 12.7 28.0 107 107 A Y H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.905 108.1 52.8 -61.1 -43.0 -47.5 11.0 25.6 108 108 A R H X S+ 0 0 126 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.923 109.4 48.7 -57.3 -47.1 -50.4 8.9 24.2 109 109 A E H X S+ 0 0 82 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.883 111.5 49.4 -63.6 -40.0 -52.5 12.0 23.6 110 110 A R H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.899 110.9 49.5 -65.3 -43.9 -49.6 13.8 21.8 111 111 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.938 114.0 45.0 -61.2 -48.8 -48.9 10.8 19.5 112 112 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.921 112.2 52.3 -63.9 -44.2 -52.6 10.5 18.6 113 113 A K H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 112.4 43.5 -57.8 -46.4 -53.0 14.2 18.0 114 114 A E H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.847 113.8 50.7 -76.2 -32.3 -50.1 14.6 15.7 115 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.921 112.0 47.9 -63.5 -46.1 -50.9 11.4 13.7 116 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.921 111.5 52.0 -61.2 -42.4 -54.5 12.7 13.3 117 117 A H H X S+ 0 0 9 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.941 110.7 46.0 -58.3 -51.3 -53.1 16.0 12.2 118 118 A E H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.903 113.8 48.5 -63.0 -40.6 -50.8 14.5 9.5 119 119 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 105.3 59.1 -69.5 -36.0 -53.5 12.2 8.2 120 120 A G H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.923 105.9 49.2 -53.6 -46.6 -55.9 15.2 8.1 121 121 A H H ><5S+ 0 0 24 -4,-1.8 -33,-2.3 3,-0.2 3,-2.1 0.907 107.7 53.3 -58.0 -46.1 -53.4 16.8 5.7 122 122 A V H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.902 105.9 55.0 -58.3 -37.3 -53.2 13.7 3.6 123 123 A L T 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.411 131.7 -93.7 -78.4 2.8 -57.0 13.9 3.4 124 124 A G T < 5S+ 0 0 38 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.431 77.7 139.7 105.0 -0.2 -56.8 17.5 2.0 125 125 A L < - 0 0 6 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.611 33.7-157.9 -81.8 133.8 -57.1 19.6 5.2 126 126 A K - 0 0 155 -2,-0.3 -1,-0.0 1,-0.2 8,-0.0 -0.397 44.1 -59.2 -91.8 179.7 -54.9 22.7 5.5 127 127 A H - 0 0 103 -2,-0.1 2,-0.4 1,-0.0 8,-0.2 -0.269 55.1-151.1 -61.1 148.2 -54.0 24.4 8.8 128 128 A C - 0 0 18 6,-1.2 8,-0.4 4,-0.1 4,-0.2 -0.928 18.0-156.1-125.0 142.9 -56.9 25.7 10.8 129 129 A S + 0 0 109 -2,-0.4 -1,-0.1 6,-0.1 6,-0.0 0.407 69.6 93.2-100.7 3.0 -57.1 28.6 13.2 130 130 A N S S- 0 0 58 1,-0.1 2,-1.5 21,-0.0 -2,-0.1 -0.222 103.2 -77.3 -79.8 179.1 -60.0 27.2 15.1 131 131 A N S S+ 0 0 103 15,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.654 91.4 128.9 -77.0 91.7 -59.8 25.1 18.2 132 132 A C S > S- 0 0 0 -2,-1.5 3,-2.0 -4,-0.2 18,-0.2 -0.995 77.6-115.8-157.7 143.8 -58.9 22.1 16.2 133 133 A V T 3 S+ 0 0 0 16,-2.2 17,-0.1 -2,-0.3 -16,-0.1 0.755 112.0 67.9 -56.1 -23.2 -56.4 19.2 15.8 134 134 A M T 3 S+ 0 0 0 15,-0.2 -6,-1.2 -7,-0.1 -1,-0.3 0.471 72.9 118.0 -82.7 1.6 -55.5 20.9 12.4 135 135 A R S < S- 0 0 85 -3,-2.0 2,-0.2 -8,-0.2 -6,-0.1 -0.404 74.3-111.2 -60.9 138.1 -53.9 23.9 14.2 136 136 A F - 0 0 101 -8,-0.4 2,-0.5 -2,-0.1 -1,-0.1 -0.570 29.8-148.6 -66.4 138.1 -50.2 24.4 13.5 137 137 A S - 0 0 7 -2,-0.2 -55,-0.2 1,-0.1 3,-0.1 -0.955 15.4-170.2-116.0 118.9 -48.1 23.7 16.6 138 138 A N S S+ 0 0 116 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.813 77.3 0.1 -74.6 -28.5 -44.9 25.6 17.1 139 139 A S S > S- 0 0 33 1,-0.0 4,-1.5 -57,-0.0 3,-0.3 -0.874 84.4 -92.7-147.4 175.1 -43.8 23.5 20.0 140 140 A V H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.791 122.1 65.5 -64.4 -29.9 -45.1 20.5 22.1 141 141 A Q H > S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.926 103.5 46.1 -57.6 -43.2 -46.6 23.0 24.5 142 142 A D H > S+ 0 0 56 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.876 108.4 55.4 -65.1 -38.9 -48.9 24.0 21.6 143 143 A V H < S+ 0 0 0 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.949 106.7 51.8 -56.8 -45.6 -49.6 20.3 20.7 144 144 A D H < S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 109.7 50.9 -61.5 -30.5 -50.8 19.9 24.4 145 145 A R H < S+ 0 0 193 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.800 95.3 76.8 -81.7 -29.5 -53.1 22.9 24.0 146 146 A K S < S- 0 0 2 -4,-1.8 -13,-0.1 -3,-0.3 2,-0.1 -0.495 84.2-114.1 -80.9 154.5 -54.9 21.9 20.8 147 147 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.370 11.5-125.2 -83.8 166.9 -57.6 19.2 20.9 148 148 A V S S+ 0 0 67 -2,-0.1 2,-0.2 -16,-0.1 -2,-0.0 0.606 86.7 87.5 -82.3 -11.3 -57.5 15.8 19.3 149 149 A S S S- 0 0 66 1,-0.1 -16,-2.2 -18,-0.0 2,-0.3 -0.546 79.4-118.6 -94.5 150.5 -60.8 16.6 17.6 150 150 A F - 0 0 38 -18,-0.2 -18,-0.1 -2,-0.2 -2,-0.1 -0.674 33.5-118.2 -77.1 138.7 -61.6 18.3 14.2 151 151 A C > - 0 0 20 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.256 37.4 -94.8 -66.4 167.3 -63.6 21.5 14.5 152 152 A R H > S+ 0 0 226 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.831 124.9 51.9 -56.1 -36.3 -67.1 21.4 12.7 153 153 A E H > S+ 0 0 117 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.948 112.8 42.1 -67.0 -48.8 -65.6 23.0 9.6 154 154 A C H >> S+ 0 0 9 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.909 113.0 53.9 -67.3 -38.9 -62.8 20.6 9.2 155 155 A A H >< S+ 0 0 49 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.878 105.2 54.8 -61.1 -36.6 -65.0 17.6 10.0 156 156 A S H 3< S+ 0 0 96 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.709 103.5 56.5 -71.2 -19.2 -67.5 18.7 7.3 157 157 A K H << 0 0 139 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.564 360.0 360.0 -89.4 -10.3 -64.7 18.6 4.7 158 158 A I << 0 0 90 -3,-0.9 -34,-0.0 -4,-0.6 -38,-0.0 -0.639 360.0 360.0-123.0 360.0 -63.6 15.0 5.2