==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-07 2OZX . COMPND 2 MOLECULE: 14 KDA PHOSPHOHISTIDINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.GONG,G.CUI,C.JIN,B.XIA . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 19.2 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 . 1 0.8 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 1 0 0 0 0 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 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 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 0 170 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 -0.0 -6.9 -2.1 2 2 A A - 0 0 70 65,-0.1 30,-0.3 0, 0.0 2,-0.0 -0.961 360.0-100.2-136.5 154.5 3.0 -4.6 -1.4 3 3 A V - 0 0 94 -2,-0.3 2,-0.2 28,-0.1 65,-0.1 -0.308 34.7-154.3 -63.2 158.2 5.7 -4.7 1.3 4 4 A A - 0 0 12 64,-0.2 2,-0.3 -2,-0.0 -1,-0.0 -0.767 2.0-152.8-124.2 172.9 5.5 -2.5 4.3 5 5 A D >> - 0 0 78 -2,-0.2 3,-2.0 25,-0.1 4,-0.6 -0.977 31.2-110.7-147.9 151.9 8.2 -1.0 6.6 6 6 A L T 34 S+ 0 0 17 -2,-0.3 3,-0.4 1,-0.3 -1,-0.0 0.725 113.6 67.8 -60.4 -23.2 8.2 0.1 10.3 7 7 A A T 34 S+ 0 0 83 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.778 95.5 56.2 -63.8 -28.6 8.6 3.7 9.2 8 8 A L T <4 S+ 0 0 129 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.784 90.2 84.4 -74.5 -29.6 5.0 3.6 7.7 9 9 A I S < S- 0 0 7 -4,-0.6 2,-0.0 -3,-0.4 55,-0.0 -0.645 92.4-115.0 -76.0 126.0 3.5 2.5 11.0 10 10 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.344 16.5-139.6 -63.7 142.1 2.8 5.6 13.2 11 11 A D S S+ 0 0 42 1,-0.2 33,-2.0 -4,-0.1 2,-0.4 0.848 88.0 18.3 -79.0 -29.9 5.0 5.6 16.3 12 12 A V E +a 44 0A 15 31,-0.2 2,-0.3 96,-0.1 -1,-0.2 -0.989 65.6 172.0-136.5 135.6 2.2 6.9 18.7 13 13 A D E +a 45 0A 71 31,-1.9 33,-1.2 -2,-0.4 2,-0.3 -0.857 16.3 155.2-149.2 107.8 -1.5 6.7 17.8 14 14 A I E -a 46 0A 43 -2,-0.3 2,-0.5 31,-0.2 33,-0.2 -0.978 35.2-148.6-135.2 146.2 -3.9 7.7 20.6 15 15 A D + 0 0 79 31,-2.3 33,-0.5 -2,-0.3 2,-0.4 -0.993 34.2 178.0-113.8 121.0 -7.5 9.0 20.7 16 16 A S + 0 0 38 -2,-0.5 3,-0.1 31,-0.1 64,-0.1 -0.992 34.3 130.4-139.3 131.3 -7.8 11.2 23.9 17 17 A D S S- 0 0 110 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.109 86.7 -18.2-156.5 16.7 -10.4 13.3 25.6 18 18 A G S S- 0 0 27 61,-0.1 63,-2.2 2,-0.0 2,-0.3 -0.925 109.2 -21.5 170.3-156.2 -10.3 12.0 29.2 19 19 A V E +B 80 0A 87 61,-0.3 2,-0.3 -2,-0.3 61,-0.2 -0.662 68.2 159.4 -75.1 140.0 -8.9 8.9 31.0 20 20 A F E -B 79 0A 10 59,-2.3 59,-2.6 -2,-0.3 28,-0.1 -0.971 40.9-101.0-157.6 153.1 -8.5 5.8 28.7 21 21 A K E -B 78 0A 61 29,-0.3 26,-0.3 -2,-0.3 57,-0.3 -0.417 39.9-178.4 -68.1 150.8 -6.6 2.5 28.7 22 22 A Y E -B 77 0A 0 55,-2.2 55,-2.4 24,-0.2 2,-0.3 -0.958 12.5-152.0-146.5 163.7 -3.4 2.3 26.5 23 23 A V E -BC 76 45A 0 22,-2.8 22,-2.4 -2,-0.3 2,-0.5 -0.979 12.8-139.1-139.9 147.3 -0.8 -0.4 25.7 24 24 A L E -BC 75 44A 0 51,-2.9 50,-2.7 -2,-0.3 51,-1.2 -0.952 31.2-173.6-106.3 119.9 2.9 -0.3 24.7 25 25 A I E -BC 73 43A 0 18,-2.6 18,-2.7 -2,-0.5 2,-0.4 -0.964 23.2-139.9-126.4 130.5 3.5 -2.9 22.0 26 26 A R E -BC 72 42A 90 46,-3.1 46,-2.3 -2,-0.4 2,-0.4 -0.797 24.7-158.9 -82.2 134.4 6.7 -4.1 20.3 27 27 A V E -BC 71 41A 0 14,-2.9 14,-2.3 -2,-0.4 2,-0.4 -0.941 4.1-159.8-119.7 138.9 6.1 -4.5 16.6 28 28 A H E -BC 70 40A 52 42,-2.9 42,-2.3 -2,-0.4 12,-0.3 -0.960 18.4-124.6-119.4 131.2 8.3 -6.7 14.4 29 29 A S E +B 69 0A 7 10,-2.8 40,-0.3 -2,-0.4 -24,-0.0 -0.533 36.3 160.0 -73.5 145.8 8.5 -6.4 10.6 30 30 A A > - 0 0 40 38,-2.6 3,-2.2 -2,-0.2 8,-0.1 -0.388 30.6-156.6-154.3 61.0 7.8 -9.5 8.5 31 31 A P G >> S- 0 0 8 0, 0.0 4,-3.0 0, 0.0 3,-2.4 -0.193 74.5 -7.6 -56.7 136.9 7.0 -7.8 5.1 32 32 A R G 34 S- 0 0 148 35,-0.4 36,-0.1 -30,-0.3 -29,-0.1 0.703 116.9 -82.3 45.4 26.7 4.8 -9.9 2.7 33 33 A S G <4 S+ 0 0 114 -3,-2.2 -1,-0.3 1,-0.1 35,-0.0 0.721 128.5 42.6 55.0 26.0 5.3 -12.7 5.3 34 34 A G T <4 + 0 0 61 -3,-2.4 -2,-0.2 34,-0.1 -1,-0.1 0.447 69.8 127.3-175.9 -1.3 8.7 -13.5 3.7 35 35 A A S < S- 0 0 25 -4,-3.0 2,-2.3 1,-0.1 -2,-0.0 -0.378 73.9-102.4 -63.1 152.5 10.9 -10.4 2.8 36 36 A P S S+ 0 0 145 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.315 90.3 101.5 -77.8 56.9 14.5 -10.5 4.2 37 37 A A + 0 0 38 -2,-2.3 -2,-0.1 -6,-0.1 -3,-0.1 -0.992 29.8 158.8-142.4 137.4 13.7 -8.0 7.1 38 38 A A + 0 0 87 -2,-0.3 -8,-0.1 -8,-0.1 2,-0.0 -0.160 29.4 140.9-151.0 32.5 13.0 -8.8 10.8 39 39 A E - 0 0 138 -11,-0.1 -10,-2.8 1,-0.0 2,-0.3 -0.270 31.9-157.0 -70.8 170.1 13.7 -5.5 12.5 40 40 A S E + C 0 28A 57 -12,-0.3 2,-0.3 -2,-0.0 -12,-0.2 -0.974 16.8 175.4-147.0 160.0 11.5 -4.2 15.4 41 41 A K E - C 0 27A 42 -14,-2.3 -14,-2.9 -2,-0.3 2,-0.3 -0.910 32.2-106.8-147.6 175.4 10.4 -1.0 17.3 42 42 A E E - C 0 26A 42 -2,-0.3 2,-0.3 -16,-0.3 -16,-0.2 -0.856 30.8-167.6-105.3 150.7 8.0 -0.1 20.1 43 43 A I E - C 0 25A 0 -18,-2.7 -18,-2.6 -2,-0.3 2,-0.5 -0.965 17.1-134.1-135.9 150.4 4.7 1.7 19.5 44 44 A V E +aC 12 24A 0 -33,-2.0 -31,-1.9 -2,-0.3 2,-0.3 -0.917 27.1 177.0-108.3 127.0 2.2 3.4 21.8 45 45 A R E +aC 13 23A 6 -22,-2.4 -22,-2.8 -2,-0.5 2,-0.2 -0.987 8.5 155.4-132.5 139.2 -1.6 2.6 21.2 46 46 A G E +a 14 0A 0 -33,-1.2 -31,-2.3 -2,-0.3 2,-0.4 -0.727 5.0 166.4-172.0 113.9 -4.5 3.9 23.2 47 47 A Y > - 0 0 36 -26,-0.3 3,-1.7 -2,-0.2 -26,-0.2 -0.999 34.1-137.1-140.8 132.2 -8.2 4.3 22.3 48 48 A K T 3 S+ 0 0 124 -33,-0.5 -27,-0.1 -2,-0.4 -1,-0.1 0.623 96.7 73.5 -69.5 -14.8 -11.2 4.9 24.6 49 49 A W T 3 S+ 0 0 127 -29,-0.0 2,-0.3 6,-0.0 -1,-0.3 0.743 76.4 98.9 -66.6 -23.5 -13.5 2.5 22.6 50 50 A A < - 0 0 9 -3,-1.7 -29,-0.3 1,-0.2 3,-0.1 -0.501 58.5-162.8 -69.8 127.6 -11.5 -0.4 24.2 51 51 A E S S+ 0 0 151 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.892 79.7 8.4 -70.9 -39.2 -13.1 -2.1 27.2 52 52 A Y S >> S- 0 0 167 -31,-0.0 3,-1.7 1,-0.0 4,-0.8 -0.920 82.8-103.7-140.5 160.6 -9.8 -3.7 28.2 53 53 A H H 3> S+ 0 0 9 -2,-0.3 4,-2.2 1,-0.3 3,-0.4 0.804 116.3 66.6 -56.5 -33.2 -6.1 -3.5 27.1 54 54 A A H 3> S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.786 93.8 58.2 -59.7 -31.1 -6.6 -6.8 25.2 55 55 A D H <> S+ 0 0 68 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.885 107.8 46.0 -71.3 -36.1 -9.0 -5.2 22.8 56 56 A I H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.4 -2,-0.2 0.958 113.9 48.9 -65.5 -50.9 -6.4 -2.7 21.7 57 57 A Y H X S+ 0 0 66 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.922 111.2 49.8 -57.4 -45.1 -3.8 -5.4 21.4 58 58 A D H X S+ 0 0 112 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.923 113.0 46.2 -61.4 -46.3 -6.1 -7.6 19.3 59 59 A K H X S+ 0 0 129 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.929 115.1 46.8 -57.2 -49.5 -6.9 -4.7 16.9 60 60 A V H X S+ 0 0 9 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.947 110.9 49.7 -68.8 -46.4 -3.3 -3.8 16.6 61 61 A S H X S+ 0 0 15 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.859 112.5 50.9 -58.4 -35.5 -2.0 -7.4 16.0 62 62 A G H X S+ 0 0 30 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.961 112.3 45.0 -63.4 -50.7 -4.8 -7.7 13.3 63 63 A D H X S+ 0 0 71 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.922 110.3 53.8 -62.7 -44.8 -3.8 -4.4 11.6 64 64 A M H X>S+ 0 0 5 -4,-3.0 4,-3.0 1,-0.3 5,-2.1 0.874 105.1 54.6 -60.9 -37.2 -0.0 -5.2 11.7 65 65 A Q H <5S+ 0 0 128 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.881 106.8 51.4 -65.3 -35.0 -0.7 -8.6 10.0 66 66 A K H <5S+ 0 0 171 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.842 114.4 44.6 -64.9 -33.9 -2.5 -6.7 7.2 67 67 A Q H <5S- 0 0 70 -4,-1.7 -35,-0.4 2,-0.1 -2,-0.2 0.955 125.1 -97.3 -70.6 -53.0 0.6 -4.4 6.9 68 68 A G T <5S+ 0 0 3 -4,-3.0 -38,-2.6 1,-0.2 2,-0.3 0.488 87.7 99.7 127.8 43.8 3.3 -7.2 7.0 69 69 A C E < -B 29 0A 6 -5,-2.1 2,-0.3 -40,-0.3 -1,-0.2 -0.886 53.9-142.9-144.2 172.3 4.3 -7.1 10.7 70 70 A D E -B 28 0A 82 -42,-2.3 -42,-2.9 -2,-0.3 2,-0.3 -0.910 18.0-141.3-140.3 164.8 3.6 -9.0 14.0 71 71 A C E -B 27 0A 5 -2,-0.3 2,-0.3 -44,-0.2 -44,-0.2 -0.868 16.8-171.0-133.3 159.6 3.2 -7.8 17.7 72 72 A E E -B 26 0A 104 -46,-2.3 -46,-3.1 -2,-0.3 2,-0.2 -0.915 28.9-129.5-148.5 117.4 4.0 -8.5 21.3 73 73 A C E -B 25 0A 25 -2,-0.3 -48,-0.3 -48,-0.3 3,-0.1 -0.534 16.8-170.7 -62.7 130.6 2.5 -6.4 24.1 74 74 A L E - 0 0 47 -50,-2.7 2,-0.3 1,-0.5 -49,-0.2 0.673 61.4 -68.6 -90.8 -23.0 5.3 -5.2 26.6 75 75 A G E -B 24 0A 0 -51,-1.2 -51,-2.9 25,-0.1 -1,-0.5 -0.885 51.7-147.8 153.8 179.4 2.7 -3.9 29.1 76 76 A G E +Bd 23 99A 0 22,-2.2 24,-1.7 -53,-0.3 18,-0.6 -0.836 16.8 167.3-159.5-164.1 0.1 -1.1 29.3 77 77 A G E -B 22 0A 0 -55,-2.4 -55,-2.2 16,-0.3 2,-0.3 -0.810 43.9 -65.7 177.7-139.5 -1.7 1.3 31.6 78 78 A R E -BE 21 91A 34 13,-2.7 13,-2.4 -57,-0.3 2,-0.3 -0.957 28.4-151.4-139.9 157.7 -3.8 4.4 31.1 79 79 A I E -BE 20 90A 1 -59,-2.6 -59,-2.3 -2,-0.3 2,-0.4 -0.923 8.9-154.4-124.4 151.5 -3.4 7.9 29.8 80 80 A S E -BE 19 89A 25 9,-2.4 9,-1.6 -2,-0.3 2,-1.0 -0.979 11.2-148.4-130.8 115.1 -5.3 11.0 30.9 81 81 A H - 0 0 54 -63,-2.2 7,-0.1 -2,-0.4 -2,-0.0 -0.805 31.7-132.9 -78.7 102.8 -5.8 14.0 28.6 82 82 A Q + 0 0 64 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.655 33.3 175.9 -30.4 -53.0 -5.9 16.5 31.5 83 83 A S S S+ 0 0 70 1,-0.2 -1,-0.2 -65,-0.1 -2,-0.1 0.683 81.6 34.8 45.5 25.1 -9.0 18.5 30.4 84 84 A Q S S+ 0 0 183 3,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.247 117.0 30.9-164.3 -56.1 -8.6 20.4 33.7 85 85 A D S S- 0 0 104 2,-0.1 2,-1.3 -3,-0.1 -3,-0.1 -0.913 99.9 -61.6-144.5 110.5 -4.9 20.9 34.8 86 86 A K S S- 0 0 161 -2,-0.4 2,-0.3 -4,-0.0 31,-0.1 -0.474 89.0 -14.3 70.8 -79.6 -1.6 21.3 32.9 87 87 A K S S- 0 0 57 -2,-1.3 -2,-0.1 29,-0.1 31,-0.1 -0.936 73.3 -62.5-155.9 168.9 -0.7 18.3 30.6 88 88 A I E - f 0 118A 7 29,-0.6 31,-1.1 -2,-0.3 2,-0.3 -0.327 50.5-172.5 -54.3 137.9 -1.0 14.6 29.4 89 89 A H E -Ef 80 119A 61 -9,-1.6 -9,-2.4 29,-0.2 2,-0.3 -0.941 12.3-151.6-138.1 158.0 -0.2 12.1 32.2 90 90 A V E +Ef 79 120A 0 29,-1.2 31,-1.8 -2,-0.3 2,-0.3 -0.986 28.6 137.8-137.5 135.5 0.3 8.3 32.1 91 91 A Y E +E 78 0A 65 -13,-2.4 -13,-2.7 -2,-0.3 31,-0.2 -0.922 27.6 55.3-163.1-178.5 -0.3 5.8 35.0 92 92 A G - 0 0 0 32,-0.5 2,-0.3 -2,-0.3 8,-0.1 -0.326 64.1-112.2 78.8-163.5 -1.7 2.4 36.2 93 93 A Y - 0 0 92 6,-0.1 2,-0.5 -16,-0.1 -16,-0.3 -0.905 23.8 -97.8-150.7 178.9 -0.8 -1.0 34.7 94 94 A S > - 0 0 1 4,-1.2 3,-0.8 -18,-0.6 4,-0.2 -0.949 15.3-156.1-103.3 124.8 -2.5 -3.7 32.6 95 95 A M T 3 S+ 0 0 143 -2,-0.5 -1,-0.1 1,-0.2 -18,-0.0 0.811 94.7 65.4 -58.7 -30.2 -3.8 -6.7 34.5 96 96 A A T 3 S- 0 0 60 2,-0.1 -1,-0.2 -3,-0.1 -44,-0.0 0.770 130.9 -14.7 -65.5 -30.9 -3.4 -8.6 31.2 97 97 A Y S < S- 0 0 76 -3,-0.8 -2,-0.1 1,-0.2 -1,-0.0 0.536 102.4 -87.7-141.0 -57.9 0.4 -8.3 31.0 98 98 A G - 0 0 16 -4,-0.2 -22,-2.2 -21,-0.0 -4,-1.2 -0.925 61.3 -37.1 159.9-178.7 2.0 -5.8 33.5 99 99 A P B -d 76 0A 64 0, 0.0 -22,-0.2 0, 0.0 -6,-0.1 -0.489 61.8-121.4 -62.6 138.2 2.9 -2.1 33.7 100 100 A A - 0 0 6 -24,-1.7 2,-2.1 -25,-0.2 3,-0.1 -0.376 31.7-100.6 -67.1 161.4 4.2 -0.6 30.4 101 101 A Q >> - 0 0 123 1,-0.2 3,-2.2 -26,-0.1 4,-1.1 -0.599 50.5-173.4 -78.8 71.7 7.7 0.9 30.5 102 102 A H H 3> S+ 0 0 6 -2,-2.1 4,-2.9 1,-0.3 5,-0.2 0.727 72.7 67.4 -50.3 -30.9 5.8 4.2 30.7 103 103 A A H 3> S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.858 101.8 48.3 -57.4 -38.4 9.1 6.3 30.4 104 104 A I H <> S+ 0 0 51 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.962 112.8 48.7 -63.4 -51.2 9.4 5.0 26.8 105 105 A S H X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 -2,-0.2 0.903 111.4 47.8 -58.1 -46.2 5.7 5.9 26.1 106 106 A T H X S+ 0 0 6 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.912 112.8 48.4 -66.3 -41.0 6.0 9.4 27.5 107 107 A E H X S+ 0 0 115 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.904 112.5 49.6 -64.9 -40.0 9.2 10.2 25.6 108 108 A K H X S+ 0 0 35 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.946 113.1 45.5 -62.8 -48.2 7.5 8.8 22.4 109 109 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.938 114.0 50.7 -58.8 -45.7 4.4 11.0 23.0 110 110 A K H < S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.4 44.4 -62.2 -40.4 6.7 14.0 23.7 111 111 A A H < S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.903 120.3 40.2 -67.9 -44.2 8.7 13.5 20.5 112 112 A K H < S+ 0 0 128 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.861 112.0 54.4 -77.1 -38.4 5.7 12.9 18.3 113 113 A Y S < S- 0 0 135 -4,-2.9 -1,-0.0 -5,-0.2 0, 0.0 -0.770 72.1-135.4-110.2 144.0 3.2 15.5 19.7 114 114 A P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.482 63.5 126.0 -77.6 -3.8 3.7 19.3 20.1 115 115 A D - 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