==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 15-MAR-05 1Z4E . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RES . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 24.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 0 1 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 0 2 4 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 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 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 4 A H 0 0 196 0, 0.0 2,-0.3 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 116.5 17.8 21.4 42.7 2 5 A V - 0 0 22 57,-0.1 2,-0.5 97,-0.0 57,-0.2 -0.877 360.0-133.9-128.4 159.6 15.3 19.9 40.3 3 6 A T E -A 58 0A 76 55,-2.4 55,-3.6 -2,-0.3 2,-0.4 -0.914 24.9-158.1-105.7 131.2 13.1 16.8 39.9 4 7 A I E +A 57 0A 30 -2,-0.5 2,-0.3 53,-0.2 53,-0.2 -0.956 27.5 136.2-117.5 133.0 13.3 15.2 36.5 5 8 A R E -A 56 0A 83 51,-2.0 51,-2.7 -2,-0.4 2,-0.1 -0.960 57.4 -71.1-160.7 171.0 10.5 13.0 35.1 6 9 A E E -A 55 0A 95 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.450 58.7-110.5 -70.0 146.7 8.3 12.2 32.1 7 10 A A - 0 0 15 47,-2.8 2,-0.2 -2,-0.1 47,-0.2 -0.358 31.2-161.7 -76.3 158.4 5.8 15.0 31.4 8 11 A T >> - 0 0 66 -2,-0.1 3,-2.0 1,-0.0 4,-0.6 -0.772 41.6 -87.8-128.9 177.3 2.0 14.4 31.9 9 12 A E G >4 S+ 0 0 96 1,-0.3 3,-1.0 -2,-0.2 4,-0.5 0.820 123.0 66.8 -57.2 -30.8 -1.0 16.3 30.6 10 13 A G G 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.668 100.2 49.1 -65.3 -16.8 -0.8 18.6 33.6 11 14 A D G <> S+ 0 0 10 -3,-2.0 4,-2.6 1,-0.1 -1,-0.2 0.577 85.2 91.6 -96.6 -13.4 2.5 20.0 32.4 12 15 A L H S+ 0 0 73 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.930 114.0 42.8 -58.8 -46.4 0.2 24.3 29.5 14 17 A Q H > S+ 0 0 60 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.878 112.6 53.2 -69.1 -36.9 3.6 25.2 30.9 15 18 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.938 109.7 47.5 -63.7 -45.8 5.6 23.4 28.2 16 19 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.908 110.8 52.5 -61.5 -41.3 3.7 25.2 25.4 17 20 A H H X S+ 0 0 80 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.922 109.2 49.4 -60.3 -43.2 4.3 28.5 27.2 18 21 A M H X S+ 0 0 19 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.914 111.2 49.8 -62.6 -42.8 8.1 27.7 27.4 19 22 A L H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.932 112.6 46.0 -61.4 -45.9 8.2 26.8 23.7 20 23 A A H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 108.5 57.3 -69.6 -24.7 6.4 30.0 22.7 21 24 A D H 3< S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.608 82.0 111.4 -81.7 -13.7 8.6 32.1 24.9 22 25 A D S 4 S+ 0 0 53 2,-0.1 3,-1.5 1,-0.1 4,-0.4 0.816 119.1 56.1 -96.9 -39.9 13.2 31.3 18.1 25 28 A G G >> S+ 0 0 5 1,-0.3 4,-3.5 2,-0.2 3,-1.6 0.786 90.3 76.9 -63.6 -25.9 10.1 29.3 19.0 26 29 A R G 3< S+ 0 0 141 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.812 97.3 47.0 -53.3 -30.1 8.3 32.6 19.5 27 30 A K G <4 S+ 0 0 157 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.613 122.1 33.3 -88.3 -14.5 8.1 32.8 15.7 28 31 A R T <4 S+ 0 0 119 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.641 104.6 73.9-115.6 -21.6 6.9 29.2 15.2 29 32 A E < - 0 0 21 -4,-3.5 2,-0.3 -10,-0.2 198,-0.1 -0.385 60.1-146.1 -93.6 171.7 4.7 28.4 18.2 30 33 A R - 0 0 118 -2,-0.1 2,-0.5 2,-0.1 -13,-0.1 -0.779 16.1-175.4-140.2 92.1 1.2 29.5 19.2 31 34 A Y + 0 0 64 -2,-0.3 2,-0.3 -5,-0.1 4,-0.1 -0.782 26.0 128.7 -91.5 128.8 0.6 29.9 22.9 32 35 A E - 0 0 95 -2,-0.5 -2,-0.1 -19,-0.1 -16,-0.0 -0.968 54.8 -79.6-166.7 165.5 -3.0 30.7 24.0 33 36 A K S S+ 0 0 159 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.989 116.5 37.9-123.3 122.0 -5.7 29.6 26.3 34 37 A P S S- 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.535 109.9-117.2 -66.6 159.1 -7.3 27.2 25.6 35 38 A L - 0 0 39 -2,-0.2 -2,-0.1 1,-0.1 -4,-0.1 -0.380 33.4 -96.5 -67.3 142.9 -4.2 25.5 24.1 36 39 A P >> - 0 0 17 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.376 29.0-129.0 -60.6 135.8 -4.3 24.8 20.3 37 40 A V H 3> S+ 0 0 85 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.757 102.4 74.2 -60.0 -24.3 -5.5 21.2 19.7 38 41 A S H 3> S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.871 97.0 48.3 -57.2 -37.2 -2.5 20.6 17.5 39 42 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.868 111.3 51.4 -70.1 -36.1 -0.3 20.4 20.7 40 43 A V H X S+ 0 0 49 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.918 108.4 49.4 -67.0 -45.1 -2.8 18.1 22.3 41 44 A R H X S+ 0 0 171 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.890 113.2 48.0 -61.2 -39.5 -2.8 15.7 19.3 42 45 A A H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.921 109.3 53.0 -67.3 -44.0 1.0 15.6 19.3 43 46 A F H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.911 109.2 49.4 -57.5 -44.9 1.1 15.0 23.1 44 47 A K H X S+ 0 0 133 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.888 110.6 49.3 -62.3 -41.7 -1.2 12.0 22.8 45 48 A E H X S+ 0 0 62 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.917 113.4 46.9 -64.4 -42.7 0.9 10.5 19.9 46 49 A I H >< S+ 0 0 5 -4,-2.5 3,-0.7 1,-0.2 6,-0.4 0.928 110.4 53.7 -64.0 -45.2 4.1 11.0 21.9 47 50 A K H 3< S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 106.7 50.2 -58.4 -43.8 2.5 9.5 25.1 48 51 A K H 3< S+ 0 0 154 -4,-2.1 2,-0.8 -5,-0.1 -1,-0.2 0.708 97.6 76.6 -71.3 -19.5 1.3 6.3 23.4 49 52 A D X< - 0 0 59 -4,-0.9 3,-1.7 -3,-0.7 -1,-0.1 -0.835 66.5-161.5 -95.4 110.2 4.8 5.6 21.9 50 53 A K T 3 S+ 0 0 170 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.690 90.0 55.7 -63.2 -19.1 7.1 4.3 24.7 51 54 A N T 3 S+ 0 0 56 1,-0.1 20,-2.7 19,-0.1 2,-0.4 0.226 99.5 67.0 -98.2 12.4 10.2 5.2 22.6 52 55 A N E < S+ B 0 70A 4 -3,-1.7 2,-0.4 -6,-0.4 18,-0.2 -0.978 71.0 176.3-133.0 116.5 9.2 8.8 22.2 53 56 A E E - B 0 69A 6 16,-3.0 16,-2.6 -2,-0.4 2,-0.5 -0.947 31.4-148.1-133.4 149.5 9.2 10.9 25.4 54 57 A L E - B 0 68A 8 -2,-0.4 -47,-2.8 14,-0.2 2,-0.4 -0.950 26.1-166.2-108.7 124.3 8.7 14.4 26.8 55 58 A I E -AB 6 67A 1 12,-3.0 12,-1.7 -2,-0.5 2,-0.3 -0.938 3.0-166.7-116.4 135.5 10.9 15.0 29.8 56 59 A V E -AB 5 66A 0 -51,-2.7 -51,-2.0 -2,-0.4 2,-0.5 -0.925 17.2-142.3-124.8 148.4 10.6 17.9 32.2 57 60 A A E -AB 4 65A 0 8,-2.5 7,-2.7 -2,-0.3 8,-1.1 -0.919 32.0-158.5-102.9 129.8 12.8 19.4 35.0 58 61 A C E -AB 3 63A 2 -55,-3.6 -55,-2.4 -2,-0.5 2,-0.5 -0.898 33.0-167.5-123.3 146.0 10.6 20.6 37.9 59 62 A N E > S- B 0 62A 90 3,-3.1 3,-1.6 -2,-0.4 2,-0.3 -0.794 82.7 -63.2-119.5 76.9 10.9 23.0 40.9 60 63 A G T 3 S- 0 0 62 -2,-0.5 -57,-0.1 1,-0.3 -1,-0.1 -0.629 117.8 -17.7 74.2-131.1 7.8 21.6 42.6 61 64 A E T 3 S+ 0 0 177 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.598 118.9 99.9 -82.6 -10.3 4.9 22.3 40.3 62 65 A E E < -B 59 0A 87 -3,-1.6 -3,-3.1 2,-0.0 2,-0.6 -0.654 69.9-142.0 -80.9 120.1 6.9 24.8 38.4 63 66 A I E +B 58 0A 1 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.715 26.4 170.9 -81.8 122.9 8.3 23.4 35.1 64 67 A V E + 0 0 7 -7,-2.7 27,-2.7 -2,-0.6 2,-0.3 0.414 60.9 12.1-113.9 1.8 11.8 24.9 34.7 65 68 A G E -BC 57 90A 0 -8,-1.1 -8,-2.5 25,-0.3 2,-0.3 -0.964 58.0-179.0-171.3 155.5 13.0 22.8 31.7 66 69 A M E +BC 56 89A 5 23,-2.4 23,-2.7 -2,-0.3 2,-0.3 -0.987 5.5 166.7-157.1 161.8 12.0 20.4 29.0 67 70 A L E -B 55 0A 2 -12,-1.7 -12,-3.0 -2,-0.3 2,-0.4 -0.953 26.9-128.1-168.2 161.8 13.2 18.3 26.1 68 71 A Q E -BC 54 86A 7 18,-2.2 18,-2.9 -2,-0.3 2,-0.4 -0.942 22.2-168.7-118.2 143.7 11.9 15.5 23.9 69 72 A V E -BC 53 85A 0 -16,-2.6 -16,-3.0 -2,-0.4 2,-0.4 -1.000 3.3-166.1-136.3 135.8 13.9 12.3 23.4 70 73 A T E -BC 52 84A 6 14,-2.3 14,-2.8 -2,-0.4 2,-0.6 -0.987 8.4-153.5-125.4 130.3 13.3 9.6 20.8 71 74 A F E + C 0 83A 4 -20,-2.7 12,-0.2 -2,-0.4 10,-0.0 -0.912 25.8 172.1-104.9 120.9 15.0 6.1 20.9 72 75 A T E - C 0 82A 16 10,-2.8 10,-2.8 -2,-0.6 2,-0.3 -0.979 29.4-127.6-136.5 141.7 15.2 4.6 17.4 73 76 A P E + C 0 81A 6 0, 0.0 2,-0.3 0, 0.0 8,-0.2 -0.631 29.4 177.2 -86.5 146.4 16.8 1.5 15.8 74 77 A Y - 0 0 4 6,-0.7 119,-0.1 -2,-0.3 120,-0.1 -0.919 37.3-128.9-139.6 162.5 19.1 1.9 12.7 75 78 A L S > S+ 0 0 3 -2,-0.3 4,-2.6 4,-0.2 3,-0.3 0.747 82.7 94.8 -83.6 -26.5 21.2 -0.5 10.6 76 79 A T H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 -0.184 77.7 31.0 -65.9 159.5 24.2 1.7 11.0 77 80 A Y H 4 S- 0 0 41 1,-0.2 -1,-0.2 2,-0.2 103,-0.1 0.918 143.1 -54.9 56.6 45.0 26.9 1.2 13.7 78 81 A Q H 4 S- 0 0 70 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 109.2 -44.3 53.3 55.5 26.1 -2.5 13.5 79 82 A G H < S+ 0 0 1 -4,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.844 91.1 171.3 61.7 39.7 22.4 -2.1 14.1 80 83 A S < - 0 0 8 -4,-2.1 -6,-0.7 -7,-0.1 2,-0.2 -0.600 31.2-130.2 -85.3 139.3 22.8 0.4 17.0 81 84 A W E -Cd 73 116A 44 34,-0.5 36,-2.5 -2,-0.3 37,-0.7 -0.588 25.8-157.3 -80.3 147.0 19.8 2.2 18.5 82 85 A R E -Cd 72 118A 6 -10,-2.8 -10,-2.8 -2,-0.2 2,-0.5 -0.934 10.7-140.5-126.4 151.7 20.3 6.0 18.8 83 86 A A E -Cd 71 119A 0 35,-2.2 37,-2.5 -2,-0.3 2,-0.5 -0.958 15.9-161.2-110.9 127.1 18.7 8.5 21.1 84 87 A T E -Cd 70 120A 17 -14,-2.8 -14,-2.3 -2,-0.5 2,-0.4 -0.952 3.6-155.6-112.2 123.4 17.8 11.9 19.5 85 88 A I E -C 69 0A 1 35,-2.8 37,-0.4 -2,-0.5 2,-0.4 -0.809 14.9-173.3 -96.5 137.8 17.2 14.8 21.8 86 89 A E E +C 68 0A 19 -18,-2.9 -18,-2.2 -2,-0.4 37,-0.1 -0.995 52.3 0.5-138.3 138.5 15.1 17.7 20.4 87 90 A G E - 0 0 11 -2,-0.4 2,-0.6 35,-0.3 -1,-0.2 0.936 62.6-168.3 55.6 59.7 14.1 21.1 21.7 88 91 A V E + 0 0 22 -21,-0.1 2,-0.4 -3,-0.1 -21,-0.2 -0.691 14.7 179.2 -78.3 119.5 15.9 21.4 25.0 89 92 A R E -C 66 0A 35 -23,-2.7 -23,-2.4 -2,-0.6 2,-0.4 -0.968 17.6-161.6-127.1 142.7 14.5 24.5 26.6 90 93 A T E -C 65 0A 28 -2,-0.4 -25,-0.3 -25,-0.2 5,-0.1 -0.939 40.0 -90.9-120.4 144.2 15.2 26.1 30.0 91 94 A H > - 0 0 54 -27,-2.7 3,-2.1 -2,-0.4 8,-0.1 -0.258 32.5-129.2 -52.4 134.0 12.9 28.6 31.8 92 95 A S T 3 S+ 0 0 81 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.701 109.2 51.1 -62.2 -19.2 13.8 32.1 30.8 93 96 A A T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -29,-0.0 -2,-0.1 0.254 107.2 55.6-100.6 12.0 14.0 33.1 34.5 94 97 A A S X S+ 0 0 18 -3,-2.1 3,-1.0 -30,-0.1 5,-0.4 0.038 70.9 143.8-132.5 28.9 16.3 30.2 35.4 95 98 A R T 3 + 0 0 161 -3,-0.4 -3,-0.0 1,-0.2 -4,-0.0 -0.388 65.1 23.3 -72.9 146.9 19.3 30.6 33.1 96 99 A G T 3 S+ 0 0 74 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.618 88.9 109.0 77.4 13.9 22.7 29.8 34.3 97 100 A Q S < S- 0 0 138 -3,-1.0 -2,-0.1 0, 0.0 -1,-0.1 0.179 91.1-109.7-106.4 16.1 21.5 27.5 37.0 98 101 A G S > S+ 0 0 38 1,-0.1 4,-1.8 3,-0.0 5,-0.1 0.664 80.5 126.9 67.7 17.2 22.6 24.2 35.5 99 102 A I H > S+ 0 0 13 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.927 71.3 51.1 -70.9 -44.9 19.1 23.0 34.7 100 103 A G H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 110.5 49.5 -57.5 -46.4 19.8 22.3 31.0 101 104 A S H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 111.7 47.8 -60.7 -45.9 22.9 20.3 31.9 102 105 A Q H X S+ 0 0 76 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.923 112.3 50.0 -61.5 -43.8 21.0 18.1 34.5 103 106 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.925 114.4 42.9 -62.0 -45.9 18.1 17.6 32.0 104 107 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.903 113.1 51.9 -68.9 -40.6 20.4 16.5 29.2 105 108 A C H X S+ 0 0 53 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.902 110.0 50.5 -61.9 -38.2 22.6 14.3 31.5 106 109 A W H X S+ 0 0 77 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.931 110.9 48.3 -63.4 -45.8 19.4 12.6 32.7 107 110 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.870 109.2 53.7 -62.4 -38.7 18.3 12.0 29.1 108 111 A I H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.893 108.9 47.4 -64.4 -41.4 21.7 10.6 28.3 109 112 A E H X S+ 0 0 93 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.872 110.1 54.3 -66.5 -35.5 21.6 8.1 31.1 110 113 A R H X S+ 0 0 40 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.933 107.8 50.1 -61.0 -47.1 18.1 7.2 30.0 111 114 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.3 0.899 109.2 50.0 -59.2 -45.0 19.5 6.5 26.5 112 115 A K H ><5S+ 0 0 99 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.923 108.6 54.0 -60.4 -43.3 22.2 4.3 27.9 113 116 A E H 3<5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.7 53.3 -56.9 -39.2 19.6 2.4 29.9 114 117 A R T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.463 122.3-107.6 -76.7 -2.9 17.6 1.8 26.6 115 118 A G T < 5 + 0 0 39 -3,-1.7 -34,-0.5 -4,-0.3 -3,-0.2 0.684 63.2 157.9 85.7 17.2 20.7 0.3 25.0 116 119 A C E < -d 81 0A 4 -5,-2.4 -1,-0.2 -6,-0.1 -34,-0.2 -0.506 32.3-157.6 -74.6 143.8 21.5 3.2 22.7 117 120 A H E S+ 0 0 104 -36,-2.5 184,-2.8 1,-0.2 2,-0.3 0.538 74.1 18.4 -99.8 -8.3 25.1 3.5 21.5 118 121 A L E -dE 82 300A 3 -37,-0.7 -35,-2.2 182,-0.3 2,-0.4 -0.992 61.6-146.9-156.9 154.0 25.0 7.2 20.6 119 122 A I E +dE 83 299A 0 180,-2.5 180,-2.0 -2,-0.3 2,-0.3 -0.957 24.7 176.4-123.2 143.5 23.0 10.3 21.4 120 123 A Q E +dE 84 298A 9 -37,-2.5 -35,-2.8 -2,-0.4 2,-0.3 -0.949 11.0 162.8-144.7 163.9 22.5 13.1 18.9 121 124 A L E - 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