==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JUN-08 3DEQ . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA MSB8; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,H.J.IMKER,J.A.GERLT,S.C.ALMO . 1372 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 984 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 10.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 81 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 10 0 4 0 8 3 5 0 0 12 4 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 12 5 7 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 PARALLEL BRIDGES PER LADDER . 3 1 8 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 7 1 0 0 0 1 3 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 3 A R 0 0 119 0, 0.0 37,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.5 106.4 -12.9 -16.0 2 4 A I E +A 37 0A 2 73,-2.0 72,-3.2 70,-0.4 35,-0.3 -0.642 360.0 177.2 -77.8 124.0 103.6 -11.9 -13.7 3 5 A V E + 0 0 81 33,-3.0 2,-0.3 -2,-0.4 34,-0.2 0.586 65.2 0.4-102.7 -14.4 102.5 -8.3 -14.3 4 6 A N E -A 36 0A 50 32,-1.4 32,-2.6 68,-0.1 2,-0.3 -0.983 51.5-152.9-168.9 159.8 99.7 -8.2 -11.8 5 7 A V E -A 35 0A 0 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.999 12.7-165.4-140.2 135.0 97.7 -10.1 -9.1 6 8 A K E -A 34 0A 86 28,-2.4 28,-2.3 -2,-0.3 2,-0.4 -0.984 4.2-161.1-128.1 133.7 94.1 -9.5 -8.0 7 9 A L E -A 33 0A 10 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.905 14.4-179.7-109.6 138.1 92.3 -10.8 -4.8 8 10 A S E -A 32 0A 51 24,-2.0 24,-3.3 -2,-0.4 2,-0.2 -0.986 26.1-126.3-144.4 132.4 88.5 -10.9 -4.7 9 11 A L E -A 31 0A 64 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.511 30.3-179.2 -73.7 138.3 86.0 -11.9 -2.0 10 12 A K E -A 30 0A 71 20,-2.8 20,-2.9 -2,-0.2 2,-0.4 -0.976 10.6-154.2-143.9 127.1 83.4 -14.5 -3.2 11 13 A R E -A 29 0A 138 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.823 9.2-175.2-107.7 142.6 80.6 -16.0 -1.2 12 14 A Y E -A 28 0A 22 16,-2.3 16,-3.3 -2,-0.4 2,-0.3 -0.999 16.7-143.2-134.3 127.5 78.8 -19.3 -1.6 13 15 A E E -A 27 0A 116 310,-0.4 310,-2.4 -2,-0.4 14,-0.3 -0.714 17.0-126.4 -93.3 143.8 75.9 -20.3 0.5 14 16 A Y E -C 322 0B 30 12,-2.3 308,-0.2 -2,-0.3 307,-0.0 -0.507 14.9-125.8 -84.3 155.7 75.4 -23.9 1.6 15 17 A E E S+ 0 0 92 306,-1.7 -1,-0.1 1,-0.2 307,-0.1 0.843 97.5 2.4 -67.2 -31.7 72.1 -25.8 1.0 16 18 A K E S- 0 0 159 305,-0.4 -1,-0.2 9,-0.1 9,-0.1 -0.987 97.3 -79.4-151.7 151.8 72.1 -26.5 4.7 17 19 A P E - 0 0 82 0, 0.0 2,-0.7 0, 0.0 9,-0.2 -0.246 43.2-136.1 -53.8 137.3 74.2 -25.5 7.7 18 20 A F E -A 25 0A 14 7,-3.4 7,-2.0 9,-0.1 2,-0.6 -0.889 21.1-164.1-102.0 113.7 77.3 -27.7 8.0 19 21 A H E +A 24 0A 53 -2,-0.7 116,-2.9 116,-0.3 2,-0.3 -0.877 18.3 156.6-106.8 120.0 77.9 -28.9 11.5 20 22 A I E > -A 23 0A 0 3,-3.0 3,-2.2 -2,-0.6 141,-0.1 -0.824 59.2 -52.5-128.2 169.1 81.2 -30.3 12.7 21 23 A T T 3 S- 0 0 21 139,-0.5 -1,-0.1 1,-0.3 140,-0.0 -0.182 125.1 -9.2 -47.5 118.3 82.8 -30.6 16.2 22 24 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 168,-0.0 2,-0.3 0.793 124.2 79.4 61.5 33.2 82.8 -27.1 17.6 23 25 A S E < -A 20 0A 37 -3,-2.2 -3,-3.0 2,-0.0 2,-0.4 -0.877 46.7-175.0-171.8 136.8 81.7 -25.3 14.4 24 26 A V E -A 19 0A 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.997 12.7-174.7-135.4 127.0 78.6 -24.6 12.3 25 27 A S E +A 18 0A 38 -7,-2.0 -7,-3.4 -2,-0.4 3,-0.1 -0.948 20.1 175.5-124.4 145.4 78.8 -22.8 8.9 26 28 A S E S+ 0 0 72 -2,-0.4 -12,-2.3 -9,-0.2 2,-0.3 0.411 75.2 28.1-121.6 -7.9 76.0 -21.7 6.6 27 29 A E E -A 13 0A 64 -14,-0.3 2,-0.5 -9,-0.1 -14,-0.2 -0.978 65.8-133.7-152.4 159.7 78.2 -20.0 4.0 28 30 A S E -A 12 0A 5 -16,-3.3 -16,-2.3 -2,-0.3 2,-0.8 -0.976 14.8-165.9-122.0 118.9 81.7 -20.1 2.5 29 31 A R E +A 11 0A 67 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.2 -0.889 21.8 173.1-107.3 104.0 83.6 -16.8 2.1 30 32 A N E -A 10 0A 1 -20,-2.9 -20,-2.8 -2,-0.8 2,-0.6 -0.643 31.0-129.5-110.9 166.8 86.5 -17.4 -0.1 31 33 A V E -AB 9 47A 0 16,-2.8 16,-2.9 -22,-0.2 2,-0.3 -0.959 20.1-148.7-117.9 113.9 89.2 -15.2 -1.8 32 34 A E E -AB 8 46A 16 -24,-3.3 -24,-2.0 -2,-0.6 2,-0.5 -0.647 11.2-153.7 -82.3 136.3 89.7 -15.7 -5.5 33 35 A V E -AB 7 45A 0 12,-3.0 12,-2.4 -2,-0.3 2,-0.4 -0.940 10.2-172.5-113.6 131.1 93.2 -15.1 -6.8 34 36 A E E -AB 6 44A 21 -28,-2.3 -28,-2.4 -2,-0.5 2,-0.4 -0.987 4.2-164.3-125.5 129.0 93.9 -14.1 -10.3 35 37 A I E -AB 5 43A 0 8,-3.3 8,-2.2 -2,-0.4 2,-0.5 -0.923 6.0-157.3-112.2 136.2 97.4 -13.8 -11.8 36 38 A V E -AB 4 42A 26 -32,-2.6 -33,-3.0 -2,-0.4 -32,-1.4 -0.966 4.5-157.5-119.0 127.0 98.1 -12.0 -15.0 37 39 A L E > -A 2 0A 2 4,-2.9 3,-2.8 -2,-0.5 -35,-0.2 -0.701 30.4-115.9 -99.5 152.2 101.1 -12.6 -17.2 38 40 A E T 3 S+ 0 0 127 -37,-2.4 -36,-0.1 1,-0.3 -1,-0.1 0.824 116.7 63.4 -55.3 -30.0 102.6 -10.2 -19.7 39 41 A S T 3 S- 0 0 71 -38,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.629 121.9-108.7 -69.4 -13.3 101.6 -12.7 -22.4 40 42 A G S < S+ 0 0 46 -3,-2.8 -2,-0.1 1,-0.4 -1,-0.1 0.245 74.6 139.2 102.9 -13.2 98.0 -12.1 -21.5 41 43 A V - 0 0 30 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.389 38.2-155.0 -65.9 141.7 97.6 -15.5 -19.8 42 44 A K E -B 36 0A 98 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.983 4.6-160.8-124.5 127.5 95.6 -15.5 -16.6 43 45 A G E -B 35 0A 0 -8,-2.2 -8,-3.3 -2,-0.4 2,-0.4 -0.863 10.3-154.4-106.2 142.9 96.0 -18.1 -13.9 44 46 A Y E +B 34 0A 70 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.913 17.8 164.4-122.1 146.2 93.3 -18.6 -11.2 45 47 A G E -B 33 0A 0 -12,-2.4 -12,-3.0 -2,-0.4 2,-0.4 -0.919 21.9-139.3-145.8 166.8 93.3 -20.0 -7.7 46 48 A E E -B 32 0A 1 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.994 4.1-155.7-138.9 132.5 90.9 -19.9 -4.7 47 49 A A E -B 31 0A 0 -16,-2.9 -16,-2.8 -2,-0.4 49,-0.1 -0.918 7.3-175.6-107.2 125.7 91.7 -19.5 -1.0 48 50 A S - 0 0 4 -2,-0.5 244,-0.2 -18,-0.2 245,-0.1 -0.864 23.1-154.9-120.1 90.3 89.2 -20.9 1.5 49 51 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.203 7.5-152.0 -67.0 156.9 90.6 -19.7 4.8 50 52 A S > - 0 0 14 215,-0.2 6,-2.0 1,-0.1 4,-1.4 -0.981 12.9-173.3-134.2 119.4 90.0 -21.4 8.2 51 53 A F H > S+ 0 0 54 -2,-0.4 4,-1.0 4,-0.3 -1,-0.1 0.918 91.5 47.6 -74.5 -44.4 90.0 -19.5 11.5 52 54 A R H 4 S+ 0 0 49 2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.889 126.0 26.3 -63.1 -44.2 89.7 -22.7 13.5 53 55 A V H 4 S+ 0 0 0 3,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.912 138.8 20.1 -89.4 -47.9 92.4 -24.6 11.7 54 56 A N H < S- 0 0 3 -4,-1.4 -3,-0.2 2,-0.1 -2,-0.2 0.491 94.1-121.9-102.7 -5.1 94.8 -21.9 10.3 55 57 A G < + 0 0 1 -4,-1.0 -4,-0.3 -5,-0.4 1063,-0.2 0.614 65.6 144.6 73.5 11.3 93.9 -19.0 12.5 56 58 A E - 0 0 4 -6,-2.0 2,-0.4 4,-0.0 -1,-0.2 -0.445 37.2-160.8 -84.0 155.7 93.0 -17.1 9.3 57 59 A R >> - 0 0 65 -2,-0.1 4,-1.7 -3,-0.1 3,-0.8 -0.999 23.7-130.7-136.6 130.7 90.3 -14.5 8.8 58 60 A V H 3> S+ 0 0 9 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.820 107.4 55.0 -49.9 -37.0 88.9 -13.6 5.3 59 61 A E H 3> S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 105.8 52.2 -66.5 -37.9 89.3 -9.8 6.0 60 62 A A H <> S+ 0 0 1 -3,-0.8 4,-0.6 2,-0.2 -1,-0.2 0.896 107.6 52.3 -66.0 -38.3 92.9 -10.2 6.9 61 63 A L H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.963 110.0 47.0 -61.6 -51.6 93.6 -12.1 3.6 62 64 A L H >< S+ 0 0 52 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.841 103.7 66.5 -59.3 -31.7 92.0 -9.3 1.5 63 65 A A H 3< S+ 0 0 37 -4,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.675 98.1 50.3 -65.5 -20.4 94.0 -6.8 3.5 64 66 A I T S+ 0 0 47 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.921 78.7 48.4 -52.1 -48.8 96.5 -7.9 -1.6 66 68 A N H > S+ 0 0 111 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.6 52.7 -61.2 -40.3 99.1 -5.2 -2.3 67 69 A A H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 110.8 46.7 -61.8 -43.8 101.8 -7.0 -0.3 68 70 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.927 110.1 53.5 -63.7 -44.6 101.2 -10.2 -2.3 69 71 A R H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 110.3 47.2 -55.9 -45.6 101.2 -8.3 -5.6 70 72 A E H < S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.3 58.0 -66.5 -31.4 104.6 -6.8 -4.7 71 73 A M H < S+ 0 0 37 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 120.6 19.0 -67.4 -41.8 106.0 -10.2 -3.7 72 74 A I H >< S+ 0 0 0 -4,-1.8 3,-1.6 -3,-0.1 -70,-0.4 0.706 88.8 107.1-108.4 -21.7 105.4 -12.0 -7.0 73 75 A T T 3< S+ 0 0 41 -4,-2.0 -70,-0.2 -5,-0.3 3,-0.1 -0.269 80.5 36.4 -57.9 146.1 105.0 -9.6 -9.9 74 76 A G T 3 S+ 0 0 42 -72,-3.2 2,-0.4 1,-0.3 -1,-0.2 0.373 91.6 114.6 92.7 -6.2 108.1 -9.5 -12.1 75 77 A I < - 0 0 27 -3,-1.6 -73,-2.0 -73,-0.2 2,-0.4 -0.823 67.2-125.2-102.2 138.0 108.8 -13.2 -11.7 76 78 A D > - 0 0 30 -2,-0.4 3,-2.3 -75,-0.3 7,-0.2 -0.650 14.6-135.7 -78.9 131.9 108.5 -15.6 -14.6 77 79 A V G > S+ 0 0 0 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.651 102.6 69.9 -63.5 -11.8 106.1 -18.5 -13.9 78 80 A R G 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 385,-0.2 0.672 94.9 55.8 -78.3 -13.8 108.7 -20.9 -15.4 79 81 A N G X> S+ 0 0 7 -3,-2.3 3,-2.1 1,-0.2 4,-1.0 -0.251 72.4 146.7-104.3 41.6 110.8 -20.1 -12.3 80 82 A Y H <> + 0 0 42 -3,-1.0 4,-2.7 1,-0.3 -1,-0.2 0.724 58.3 69.3 -53.0 -25.9 107.8 -21.2 -10.2 81 83 A A H 3> S+ 0 0 13 382,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.849 98.3 52.0 -62.5 -32.8 110.1 -22.6 -7.5 82 84 A R H <> S+ 0 0 66 -3,-2.1 4,-2.1 381,-0.5 -1,-0.2 0.901 109.1 49.0 -69.1 -40.1 111.1 -19.0 -6.7 83 85 A I H X S+ 0 0 0 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.910 110.7 51.7 -64.8 -41.1 107.4 -18.1 -6.4 84 86 A F H X S+ 0 0 15 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.954 110.0 47.9 -59.8 -50.5 106.9 -21.1 -4.1 85 87 A E H < S+ 0 0 93 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.874 114.1 47.2 -59.6 -38.7 109.8 -20.1 -1.9 86 88 A I H >< S+ 0 0 28 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.945 112.2 47.9 -68.9 -48.2 108.5 -16.5 -1.7 87 89 A T H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.647 93.9 76.7 -69.2 -13.2 104.9 -17.4 -1.0 88 90 A D T 3< S+ 0 0 44 -4,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.718 82.6 69.5 -67.5 -17.9 106.2 -19.9 1.7 89 91 A R T < S+ 0 0 123 -3,-1.8 3,-0.4 -4,-0.3 -1,-0.3 0.641 81.8 75.0 -72.9 -13.4 106.6 -16.7 3.8 90 92 A L X + 0 0 1 -3,-1.7 3,-2.4 1,-0.2 7,-0.4 -0.155 54.1 134.7 -89.5 39.6 102.9 -16.4 3.9 91 93 A F T 3 S+ 0 0 65 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.703 70.1 58.0 -63.2 -16.0 102.7 -19.2 6.5 92 94 A G T 3 S+ 0 0 17 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.499 111.3 42.0 -89.1 -5.1 100.2 -17.1 8.4 93 95 A F S X> S+ 0 0 6 -3,-2.4 4,-2.2 1,-0.1 3,-0.9 -0.408 71.5 159.0-135.1 54.2 98.0 -17.0 5.3 94 96 A P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.818 72.0 54.7 -49.6 -40.4 98.2 -20.7 4.1 95 97 A S H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 111.2 46.0 -65.8 -32.3 95.0 -20.6 2.1 96 98 A L H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.3 0.880 108.4 55.7 -74.7 -39.2 96.3 -17.6 0.2 97 99 A K H X S+ 0 0 10 -4,-2.2 4,-2.4 -7,-0.4 172,-0.3 0.922 110.2 47.5 -57.4 -43.0 99.7 -19.3 -0.3 98 100 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.950 110.3 50.0 -64.7 -50.2 97.9 -22.2 -1.9 99 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 114.5 44.8 -56.4 -44.6 95.7 -20.1 -4.2 100 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.921 112.4 50.0 -67.7 -45.3 98.8 -18.1 -5.4 101 103 A Q H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.891 115.1 44.2 -63.0 -37.8 101.0 -21.2 -5.9 102 104 A F H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.930 108.3 55.8 -72.7 -42.3 98.3 -23.0 -7.9 103 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.888 106.6 55.1 -54.3 -36.0 97.4 -19.9 -9.9 104 106 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.946 110.2 42.1 -62.0 -49.9 101.1 -20.0 -10.9 105 107 A L H X S+ 0 0 5 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.864 111.6 57.2 -66.3 -34.2 100.9 -23.6 -12.1 106 108 A D H X S+ 0 0 3 -4,-3.2 4,-1.3 2,-0.2 -1,-0.2 0.910 112.0 41.1 -62.0 -41.1 97.6 -22.8 -13.8 107 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.917 115.4 50.5 -72.9 -44.6 99.2 -20.0 -15.8 108 110 A L H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.930 108.5 51.3 -60.1 -46.5 102.4 -21.9 -16.5 109 111 A S H X>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 4,-1.0 0.884 108.7 51.8 -61.6 -37.4 100.6 -25.0 -17.8 110 112 A Q H ><5S+ 0 0 77 -4,-1.3 3,-0.6 -5,-0.2 -1,-0.2 0.928 110.2 49.1 -63.4 -43.3 98.5 -22.8 -20.2 111 113 A E H 3<5S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.1 46.9 -63.9 -34.1 101.8 -21.3 -21.5 112 114 A L H 3<5S- 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.575 115.8-115.5 -84.2 -10.4 103.3 -24.8 -21.9 113 115 A G T <<5S+ 0 0 71 -4,-1.0 2,-0.2 -3,-0.6 -3,-0.2 0.792 81.5 85.2 82.5 28.7 100.1 -26.1 -23.6 114 116 A T S - 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0 0 18 -5,-1.6 2,-0.4 2,-0.0 -1,-0.3 -0.687 37.7-151.7 -89.2 136.1 142.0 -25.8 8.3 551 211 B D - 0 0 100 -2,-0.4 2,-0.6 -3,-0.1 -26,-0.5 -0.894 3.5-158.5-111.4 136.9 138.2 -25.8 7.5 552 212 B I - 0 0 1 -2,-0.4 -26,-0.2 1,-0.1 3,-0.2 -0.956 4.4-161.9-115.0 116.3 136.4 -28.6 5.6 553 213 B A S S+ 0 0 14 -28,-2.1 2,-0.3 -2,-0.6 -27,-0.2 0.873 81.1 9.9 -63.0 -41.0 133.1 -27.6 4.1 554 214 B V E -u 526 0G 0 -29,-1.0 -27,-2.4 22,-0.1 2,-0.7 -0.982 59.7-158.7-146.9 132.1 132.0 -31.3 3.7 555 215 B Y E -uv 527 578G 0 22,-2.8 24,-2.5 -2,-0.3 2,-0.3 -0.903 28.3-145.9-112.7 98.6 133.6 -34.5 5.0 556 216 B E E -uv 528 579G 0 -29,-2.9 -27,-2.0 -2,-0.7 -26,-0.3 -0.512 50.5 -40.0 -78.5 133.6 132.2 -37.3 2.7 557 217 B Q + 0 0 0 22,-2.2 -26,-3.1 -2,-0.3 -25,-0.3 0.736 61.0 176.4 18.9 75.3 131.4 -40.9 3.8 558 218 B P + 0 0 0 0, 0.0 -25,-2.1 0, 0.0 2,-0.2 0.820 60.8 43.4 -71.5 -28.5 134.4 -41.5 6.1 559 219 B V S S- 0 0 0 1,-0.2 -28,-0.2 -27,-0.2 -27,-0.2 -0.597 101.1 -64.0-115.4 174.7 133.2 -45.0 7.1 560 220 B R > - 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