==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-04 1WPN . COMPND 2 MOLECULE: MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.P.FABRICHNIY,L.LEHTIO,A.SALMINEN,A.A.BAYKOV,R.LAHTI, . 374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 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 . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.2 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 2 0 4 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 2 A E 0 0 170 0, 0.0 31,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 138.2 5.7 -16.1 5.7 2 3 A K - 0 0 63 64,-0.1 66,-0.5 29,-0.1 67,-0.5 -0.390 360.0-176.9 -72.6 136.3 8.8 -15.0 3.8 3 4 A I E -a 33 0A 19 29,-2.6 31,-1.9 -2,-0.1 2,-0.4 -0.943 18.1-137.7-126.7 152.2 10.6 -11.8 4.5 4 5 A L E -ab 34 70A 0 65,-1.1 67,-2.3 -2,-0.3 2,-0.4 -0.897 12.1-160.7-104.3 140.8 13.6 -10.0 2.9 5 6 A I E +ab 35 71A 0 29,-2.3 31,-2.6 -2,-0.4 2,-0.3 -0.989 24.5 155.1-119.4 127.8 16.4 -8.4 5.0 6 7 A F E - b 0 72A 0 65,-2.2 67,-2.3 -2,-0.4 31,-0.1 -0.994 30.9-143.1-152.2 154.4 18.6 -5.8 3.3 7 8 A G - 0 0 1 29,-0.5 67,-0.1 8,-0.4 68,-0.1 -0.067 49.9 -50.1 -96.0-159.0 20.8 -2.8 3.9 8 9 A H - 0 0 22 65,-0.2 30,-0.5 1,-0.1 -1,-0.2 -0.224 54.8 -90.1 -81.4 166.7 21.3 0.3 1.7 9 10 A Q S S+ 0 0 85 71,-2.5 -1,-0.1 1,-0.2 30,-0.1 -0.322 113.6 36.2 -58.4 156.5 22.0 1.0 -2.0 10 11 A N S S- 0 0 146 28,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.995 103.2-137.5 53.7 60.8 25.7 1.3 -2.7 11 12 A P - 0 0 8 0, 0.0 31,-0.4 0, 0.0 2,-0.2 -0.231 23.5-166.2 -59.7 142.1 26.3 -1.5 -0.2 12 13 A D > - 0 0 43 29,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.618 42.3 -90.5-110.9-179.8 29.1 -1.5 2.2 13 14 A T H > S+ 0 0 0 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.881 125.4 51.3 -62.5 -39.8 30.4 -4.4 4.3 14 15 A D H > S+ 0 0 0 130,-0.3 4,-2.7 1,-0.2 5,-0.3 0.922 109.2 51.6 -62.9 -44.2 28.1 -3.6 7.3 15 16 A T H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -8,-0.4 0.849 117.5 37.9 -64.8 -32.7 25.1 -3.5 5.0 16 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.1 -2,-0.2 0.935 120.9 43.0 -79.3 -49.5 25.9 -6.9 3.4 17 18 A C H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -3,-0.2 0.873 113.2 50.9 -68.4 -38.0 27.2 -8.7 6.5 18 19 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 5,-0.3 0.838 108.7 53.0 -71.0 -30.9 24.5 -7.4 8.9 19 20 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.947 113.3 43.9 -64.7 -46.4 21.8 -8.6 6.4 20 21 A I H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 116.7 46.6 -63.2 -44.8 23.3 -12.1 6.4 21 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.925 113.0 46.6 -68.1 -43.8 23.8 -12.1 10.2 22 23 A Y H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.903 110.6 53.3 -70.9 -32.4 20.3 -10.9 11.0 23 24 A A H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.3 10,-0.3 0.925 108.7 51.8 -63.8 -38.0 18.7 -13.4 8.6 24 25 A D H X S+ 0 0 27 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.945 111.4 45.9 -61.0 -48.0 20.7 -16.1 10.3 25 26 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.946 113.7 48.6 -60.0 -48.1 19.4 -15.0 13.7 26 27 A K H <>S+ 0 0 15 -4,-2.9 5,-2.2 1,-0.2 3,-0.4 0.935 113.0 47.5 -55.8 -49.8 15.8 -14.8 12.4 27 28 A N H ><5S+ 0 0 67 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.902 108.3 53.8 -63.4 -41.4 16.0 -18.2 10.8 28 29 A K H 3<5S+ 0 0 93 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.854 107.1 54.4 -57.8 -32.1 17.5 -19.8 14.0 29 30 A L T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.259 129.6 -96.0 -88.4 7.3 14.4 -18.3 15.9 30 31 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.533 82.7 124.5 93.4 13.8 12.0 -20.0 13.5 31 32 A F < - 0 0 120 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.209 62.1-118.7 -93.9-173.3 11.3 -17.3 10.9 32 33 A N + 0 0 84 -31,-0.5 -29,-2.6 -2,-0.1 2,-0.4 -0.774 48.5 155.1-133.1 87.7 11.7 -17.3 7.1 33 34 A A E -a 3 0A 7 -2,-0.4 -29,-0.2 -10,-0.3 -6,-0.1 -0.902 26.2-166.0-124.6 142.1 14.1 -14.7 6.1 34 35 A E E -a 4 0A 46 -31,-1.9 -29,-2.3 -2,-0.4 2,-0.3 -0.998 20.7-135.0-124.5 129.4 16.5 -14.2 3.1 35 36 A P E +a 5 0A 28 0, 0.0 23,-0.8 0, 0.0 2,-0.3 -0.643 33.1 176.5 -78.3 135.5 19.3 -11.6 3.2 36 37 A V E -j 58 0B 1 -31,-2.6 -29,-0.5 -2,-0.3 2,-0.3 -0.812 18.8-135.7-131.9 171.8 19.4 -9.6 -0.1 37 38 A R E -j 59 0B 48 21,-2.5 23,-2.6 -2,-0.3 -28,-0.1 -0.930 7.9-150.3-131.1 159.1 21.4 -6.7 -1.6 38 39 A L S S+ 0 0 27 -30,-0.5 2,-0.3 -2,-0.3 -28,-0.2 0.343 76.9 1.0-110.2 -0.3 20.6 -3.6 -3.5 39 40 A G S S- 0 0 17 -30,-0.1 2,-0.1 -31,-0.1 21,-0.0 -0.945 95.7 -42.0-165.7-170.3 23.8 -3.1 -5.5 40 41 A Q - 0 0 167 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.332 52.1-117.8 -72.4 146.3 27.2 -4.5 -6.3 41 42 A V - 0 0 23 -31,-0.1 -1,-0.1 1,-0.1 -29,-0.1 -0.670 29.8-136.0 -82.0 128.9 29.5 -5.9 -3.6 42 43 A N > - 0 0 64 -2,-0.4 4,-2.8 -31,-0.4 5,-0.2 -0.261 25.6-100.2 -80.3 171.7 32.8 -4.0 -3.3 43 44 A G H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 144,-0.2 0.808 119.9 54.4 -66.2 -30.4 36.3 -5.6 -2.9 44 45 A E H > S+ 0 0 24 2,-0.2 4,-1.5 143,-0.2 -1,-0.2 0.958 112.7 42.4 -63.7 -51.5 36.5 -5.1 0.8 45 46 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 111.0 57.6 -60.5 -39.0 33.1 -6.9 1.4 46 47 A Q H X S+ 0 0 69 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.873 103.0 54.0 -62.5 -38.7 34.2 -9.6 -1.2 47 48 A Y H X S+ 0 0 64 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.925 109.9 47.1 -56.5 -44.1 37.3 -10.4 0.9 48 49 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.928 112.7 48.2 -66.7 -45.0 35.2 -11.0 3.9 49 50 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.2 0.898 115.9 44.6 -61.9 -41.2 32.6 -13.1 2.1 50 51 A D H ><5S+ 0 0 98 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.924 112.6 50.6 -71.5 -39.3 35.4 -15.2 0.5 51 52 A Y H 3<5S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.7 38.6 -64.5 -42.2 37.4 -15.5 3.8 52 53 A F T 3<5S- 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.228 111.3-118.5 -98.2 15.5 34.4 -16.7 5.8 53 54 A K T < 5 + 0 0 175 -3,-0.9 2,-0.4 -4,-0.2 -3,-0.2 0.899 63.4 143.5 53.9 50.8 33.0 -18.9 2.9 54 55 A Q < - 0 0 54 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.934 47.4-123.7-119.8 142.9 29.7 -17.0 2.6 55 56 A E - 0 0 175 -2,-0.4 3,-0.1 1,-0.1 -5,-0.0 -0.576 31.9-101.9 -83.9 147.2 27.9 -16.3 -0.6 56 57 A S - 0 0 39 -2,-0.2 3,-0.1 1,-0.1 -19,-0.1 -0.486 48.0-102.8 -63.6 131.0 27.0 -12.8 -1.7 57 58 A P - 0 0 8 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.116 46.8 -87.7 -52.1 148.8 23.2 -12.1 -1.0 58 59 A R E -j 36 0B 97 -23,-0.8 -21,-2.5 1,-0.1 2,-0.4 -0.353 44.2-119.1 -59.3 137.3 20.9 -12.2 -4.0 59 60 A L E +j 37 0B 87 -23,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.680 36.7 179.9 -79.8 130.3 20.6 -8.9 -5.8 60 61 A V - 0 0 9 -23,-2.6 3,-0.1 -2,-0.4 -24,-0.0 -0.932 28.7-169.2-128.9 153.6 17.1 -7.4 -6.0 61 62 A E S S+ 0 0 143 -2,-0.3 22,-0.7 1,-0.3 23,-0.3 0.611 80.7 18.5-104.3 -28.9 15.6 -4.2 -7.4 62 63 A T - 0 0 43 21,-0.1 -1,-0.3 20,-0.1 23,-0.0 -0.952 49.7-165.4-141.0 159.1 12.2 -4.5 -5.8 63 64 A A S >> S+ 0 0 0 -2,-0.3 4,-2.3 -3,-0.1 3,-2.0 0.673 76.0 75.7-115.1 -29.6 10.6 -6.3 -2.9 64 65 A A T 34 S+ 0 0 34 1,-0.3 21,-0.0 2,-0.2 5,-0.0 0.753 90.8 59.3 -65.9 -23.7 6.8 -6.0 -3.3 65 66 A N T 34 S+ 0 0 113 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.649 118.6 30.5 -72.0 -15.3 6.7 -8.6 -6.1 66 67 A E T <4 S+ 0 0 75 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.731 123.9 11.3-110.9 -40.2 8.2 -11.1 -3.6 67 68 A V < - 0 0 7 -4,-2.3 -1,-0.3 1,-0.1 -64,-0.1 -0.927 48.5-137.4-140.5 167.8 7.1 -10.3 -0.1 68 69 A N S S+ 0 0 111 -66,-0.5 21,-2.9 -2,-0.3 2,-0.3 0.679 89.7 35.9 -98.8 -20.6 4.7 -8.2 2.0 69 70 A G E - c 0 89A 6 -67,-0.5 -65,-1.1 19,-0.2 2,-0.3 -0.973 61.4-173.4-139.2 149.6 7.2 -7.3 4.7 70 71 A V E -bc 4 90A 0 19,-2.4 21,-2.8 -2,-0.3 22,-0.9 -0.893 17.5-137.3-134.7 162.1 10.9 -6.4 4.9 71 72 A I E -bc 5 92A 0 -67,-2.3 -65,-2.2 -2,-0.3 2,-0.5 -0.993 18.6-147.7-121.1 130.3 13.6 -5.7 7.6 72 73 A L E -bc 6 93A 1 20,-2.4 22,-2.4 -2,-0.4 2,-0.4 -0.848 13.1-170.8 -96.1 132.5 16.0 -2.9 7.1 73 74 A V E + c 0 94A 0 -67,-2.3 22,-0.2 -2,-0.5 -65,-0.2 -0.953 67.1 3.0-116.3 146.8 19.6 -3.1 8.4 74 75 A D S S+ 0 0 0 20,-2.3 2,-0.3 -2,-0.4 21,-0.2 0.577 122.2 48.8 64.9 13.6 22.1 -0.3 8.6 75 76 A H + 0 0 0 19,-0.4 19,-0.2 1,-0.1 24,-0.1 -0.967 39.1 174.4-166.7 161.9 19.8 2.4 7.2 76 77 A N + 0 0 2 -2,-0.3 5,-0.1 22,-0.2 23,-0.1 0.429 49.9 109.8-138.1 -27.5 16.4 3.9 7.4 77 78 A E >> - 0 0 17 21,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.307 67.0-132.9 -63.1 135.2 16.3 6.9 5.0 78 79 A R G >4 S+ 0 0 92 23,-2.5 3,-1.5 1,-0.3 7,-0.2 0.839 103.4 57.3 -60.5 -33.5 14.0 6.2 2.1 79 80 A Q G 34 S+ 0 0 100 1,-0.3 -1,-0.3 22,-0.1 -2,-0.1 0.655 107.8 49.2 -74.7 -12.9 16.5 7.4 -0.6 80 81 A Q G <4 S+ 0 0 63 -3,-1.8 -71,-2.5 -72,-0.1 -1,-0.3 0.495 106.4 75.2 -93.0 -7.9 19.1 4.8 0.7 81 82 A S S << S- 0 0 1 -3,-1.5 2,-0.1 -4,-0.5 -73,-0.1 -0.086 97.9 -57.6-101.2-169.4 16.5 2.0 0.6 82 83 A I > - 0 0 4 1,-0.1 3,-1.9 -76,-0.1 -1,-0.2 -0.426 52.2-116.1 -70.7 151.5 14.9 -0.2 -2.0 83 84 A K T 3 S+ 0 0 155 -22,-0.7 3,-0.3 1,-0.3 -21,-0.1 0.797 112.7 43.3 -63.8 -29.4 13.0 1.7 -4.7 84 85 A D T > S+ 0 0 13 -23,-0.3 3,-2.1 1,-0.2 -1,-0.3 -0.040 71.4 127.5-103.6 32.2 9.6 0.3 -3.8 85 86 A I G X + 0 0 12 -3,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.821 69.3 61.1 -57.7 -29.1 10.0 0.6 0.0 86 87 A E G 3 S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.683 98.6 59.5 -76.9 -9.3 6.7 2.5 0.2 87 88 A E G < S+ 0 0 148 -3,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.347 102.9 55.7 -96.3 1.6 4.9 -0.6 -1.2 88 89 A V S < S- 0 0 18 -3,-1.3 2,-0.4 -4,-0.2 -19,-0.2 -0.914 88.6-104.6-127.4 159.6 5.9 -3.0 1.5 89 90 A Q E -c 69 0A 94 -21,-2.9 -19,-2.4 -2,-0.3 2,-0.9 -0.720 26.1-137.2 -83.4 131.1 5.5 -3.1 5.3 90 91 A V E +c 70 0A 17 -2,-0.4 -19,-0.2 -21,-0.2 16,-0.1 -0.826 25.6 178.8 -85.0 106.3 8.7 -2.2 7.2 91 92 A L E - 0 0 57 -21,-2.8 18,-2.1 -2,-0.9 2,-0.3 0.836 61.6 -3.4 -78.9 -38.4 8.6 -4.8 10.0 92 93 A E E -cd 71 109A 26 -22,-0.9 -20,-2.4 16,-0.2 2,-0.4 -0.985 53.0-157.5-152.7 154.4 11.8 -3.9 11.7 93 94 A V E -cd 72 110A 0 16,-2.2 18,-3.0 -2,-0.3 2,-0.5 -0.993 5.0-173.0-133.7 129.0 14.8 -1.6 11.4 94 95 A I E +cd 73 111A 0 -22,-2.4 -20,-2.3 -2,-0.4 -19,-0.4 -0.990 33.4 138.8-118.8 120.0 18.2 -2.3 13.1 95 96 A D E - d 0 112A 0 16,-2.5 18,-1.6 -2,-0.5 22,-0.1 -0.935 51.9-149.0-157.7 169.6 20.5 0.7 12.6 96 97 A H + 0 0 15 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 0.060 69.3 90.2-136.0 24.7 23.1 3.1 14.0 97 98 A H S S- 0 0 63 1,-0.2 199,-0.4 198,-0.1 197,-0.1 -0.652 83.4 -79.9-116.7 171.6 22.3 6.4 12.2 98 99 A R - 0 0 84 -2,-0.2 2,-0.5 195,-0.2 -21,-0.2 -0.258 50.2-114.0 -59.2 159.6 20.2 9.4 12.6 99 100 A I + 0 0 0 195,-0.4 193,-2.7 -23,-0.1 2,-0.3 -0.901 54.0 136.0-102.2 127.4 16.5 9.0 11.6 100 101 A A + 0 0 0 -2,-0.5 -22,-0.2 191,-0.2 191,-0.1 -0.974 54.3 23.5-161.2 159.4 15.3 10.9 8.6 101 102 A N S S+ 0 0 52 -2,-0.3 -23,-2.5 -24,-0.2 2,-0.4 0.867 95.6 114.8 50.8 43.1 13.2 10.6 5.5 102 103 A F + 0 0 13 188,-0.3 2,-0.3 -25,-0.2 188,-0.3 -0.975 31.2 153.7-151.6 124.2 11.4 7.7 7.1 103 104 A E - 0 0 86 -2,-0.4 2,-0.3 185,-0.1 185,-0.2 -0.991 19.4-156.3-145.9 157.0 7.8 7.1 8.3 104 105 A T - 0 0 16 183,-2.7 4,-0.1 -2,-0.3 -15,-0.1 -0.954 18.5-144.7-128.6 155.7 5.6 4.1 8.8 105 106 A A S S+ 0 0 70 -2,-0.3 181,-0.2 181,-0.1 -1,-0.1 0.786 88.0 34.5 -80.8 -30.8 1.8 3.7 8.8 106 107 A E S S- 0 0 112 1,-0.1 181,-0.4 -16,-0.1 -16,-0.1 -0.802 95.4 -85.2-122.0 161.7 2.0 1.0 11.6 107 108 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 179,-0.2 -0.156 50.2 173.1 -56.4 161.9 4.1 0.2 14.6 108 109 A L - 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0 0 98 -2,-0.3 2,-0.3 -191,-0.1 -191,-0.2 -0.982 20.2-154.0-145.1 154.6 13.8 13.3 12.4 292 105 B T - 0 0 16 -193,-2.7 4,-0.1 -2,-0.3 -15,-0.1 -0.951 16.6-147.0-126.5 153.3 17.1 13.7 14.2 293 106 B A S S+ 0 0 75 -2,-0.3 -195,-0.2 -195,-0.1 -1,-0.1 0.775 87.5 33.0 -79.7 -30.7 20.3 15.3 13.2 294 107 B E S S- 0 0 113 -16,-0.1 -195,-0.4 1,-0.1 -197,-0.1 -0.808 96.6 -83.9-124.0 163.2 22.5 12.8 15.1 295 108 B P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 -197,-0.2 -0.166 51.9 174.8 -59.2 160.4 22.3 9.1 16.0 296 109 B L - 0 0 5 -199,-0.4 2,-0.8 -183,-0.1 -16,-0.2 -0.956 42.1 -89.7-154.3 174.7 20.3 8.2 19.0 297 110 B Y E + i 0 280A 42 -18,-2.1 -16,-2.1 -2,-0.3 2,-0.5 -0.868 49.6 177.1 -93.4 103.8 19.0 5.2 21.1 298 111 B Y E +Ei 112 281A 0 -186,-2.0 -186,-2.7 -2,-0.8 2,-0.5 -0.976 4.8 176.4-114.3 117.3 15.6 4.6 19.4 299 112 B R E +Ei 111 282A 9 -18,-3.0 -16,-2.4 -2,-0.5 2,-0.4 -0.879 7.5 160.1-126.6 104.4 13.6 1.6 20.8 300 113 B A E -Ei 110 283A 0 -190,-2.7 -190,-1.8 -2,-0.5 -16,-0.2 -0.947 11.6-176.4-116.4 139.1 10.2 0.9 19.5 301 114 B E - 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0 0 22 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.949 48.0-123.9-112.8 123.1 17.9 -3.3 38.2 320 133 B K - 0 0 180 -2,-0.5 2,-0.7 1,-0.1 -5,-0.0 -0.355 20.9-129.5 -61.1 136.4 15.3 -4.4 40.7 321 134 B I - 0 0 19 -2,-0.1 -1,-0.1 4,-0.0 2,-0.0 -0.843 24.2-133.1 -89.5 116.0 11.8 -2.9 40.0 322 135 B E > - 0 0 99 -2,-0.7 4,-2.8 1,-0.1 3,-0.3 -0.324 22.5-108.3 -65.6 152.0 10.6 -1.4 43.3 323 136 B K H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.884 117.5 45.5 -47.8 -49.4 7.0 -2.2 44.3 324 137 B E H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.842 111.8 51.1 -71.7 -33.4 5.6 1.3 43.6 325 138 B I H > S+ 0 0 8 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.919 109.8 51.3 -64.4 -43.4 7.3 1.6 40.2 326 139 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.882 107.3 54.4 -59.1 -40.0 5.9 -1.8 39.3 327 140 B G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.920 109.6 45.9 -62.2 -41.0 2.5 -0.5 40.3 328 141 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 113.1 49.4 -66.5 -38.8 2.8 2.4 37.9 329 142 B M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.923 110.8 50.1 -68.0 -37.5 4.1 0.2 35.1 330 143 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.931 108.7 53.9 -62.5 -42.2 1.1 -2.2 35.7 331 144 B S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.915 106.0 52.4 -59.0 -44.5 -1.2 0.9 35.6 332 145 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 -131,-0.2 -130,-0.3 0.915 110.9 46.0 -56.3 -46.4 0.2 1.9 32.2 333 146 B I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 7,-0.3 0.921 112.5 50.3 -68.4 -41.8 -0.4 -1.6 30.7 334 147 B I H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.7 0.928 114.3 46.7 -59.1 -44.0 -3.9 -1.8 32.1 335 148 B S H ><5S+ 0 0 12 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.956 115.9 41.2 -64.2 -50.6 -4.7 1.7 30.7 336 149 B D H 3<5S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.786 120.0 45.4 -71.5 -27.6 -3.3 1.2 27.2 337 150 B S H 3X>S- 0 0 3 -4,-2.2 5,-2.3 -5,-0.2 4,-1.1 0.463 104.7-124.2 -90.9 -4.1 -4.7 -2.4 26.9 338 151 B L T X<5S- 0 0 105 -3,-0.9 3,-0.8 -4,-0.7 -3,-0.2 0.947 80.6 -45.5 55.7 52.7 -8.2 -1.5 28.3 339 152 B L T 34 - 0 0 42 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.682 39.1-100.4-111.9 170.6 0.0 -8.7 23.0 347 160 B D H > S+ 0 0 147 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.850 123.3 59.0 -59.4 -32.3 1.2 -11.8 24.9 348 161 B Q H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 104.8 48.5 -63.1 -39.9 4.2 -9.7 25.9 349 162 B D H > S+ 0 0 1 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.904 112.1 48.7 -65.6 -41.8 2.0 -7.1 27.6 350 163 B V H X S+ 0 0 44 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 48.9 -63.4 -42.8 0.0 -9.8 29.5 351 164 B A H X S+ 0 0 45 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 112.4 48.2 -65.0 -40.1 3.3 -11.5 30.6 352 165 B A H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.932 110.4 51.5 -64.8 -43.5 4.7 -8.1 31.8 353 166 B A H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.910 108.3 52.2 -62.6 -36.6 1.4 -7.2 33.6 354 167 B K H X S+ 0 0 152 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.935 113.0 44.7 -62.2 -45.4 1.5 -10.6 35.5 355 168 B E H X S+ 0 0 71 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 115.8 46.5 -61.5 -47.6 5.1 -10.0 36.6 356 169 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.850 107.7 54.5 -72.8 -33.7 4.4 -6.4 37.6 357 170 B A H X>S+ 0 0 10 -4,-2.6 5,-1.9 -5,-0.2 4,-1.1 0.893 109.2 50.0 -63.2 -39.7 1.2 -7.2 39.5 358 171 B E H ><5S+ 0 0 171 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.948 114.2 44.7 -63.4 -44.1 3.1 -9.7 41.6 359 172 B I H 3<5S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.1 48.7 -64.7 -43.0 5.8 -7.2 42.3 360 173 B A H 3<5S- 0 0 3 -4,-2.7 -1,-0.2 -34,-0.2 -2,-0.2 0.600 107.8-125.1 -72.7 -18.4 3.4 -4.4 43.1 361 174 B G T <<5 + 0 0 64 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.784 66.9 117.8 78.2 28.2 1.3 -6.6 45.5 362 175 B V S - 0 0 92 -2,-0.3 4,-2.7 1,-0.1 5,-0.4 -0.846 30.4-145.1 -83.6 121.5 -4.6 -8.1 42.0 364 177 B A H > S+ 0 0 22 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.803 93.1 47.6 -63.7 -37.6 -4.6 -6.7 38.5 365 178 B E H > S+ 0 0 127 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.954 115.0 43.3 -69.1 -47.3 -8.2 -7.0 37.8 366 179 B E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.953 120.9 41.5 -62.6 -50.4 -9.5 -5.5 41.1 367 180 B Y H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 115.0 52.2 -62.4 -47.3 -6.9 -2.7 41.0 368 181 B G H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.4 5,-0.2 0.879 106.6 51.1 -59.5 -41.7 -7.4 -2.1 37.2 369 182 B L H X S+ 0 0 60 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.911 112.0 47.8 -64.9 -37.3 -11.2 -1.8 37.4 370 183 B N H X S+ 0 0 74 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.914 113.4 47.9 -66.2 -40.0 -10.8 0.8 40.2 371 184 B M H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 3,-0.3 0.937 113.3 46.7 -65.3 -47.4 -8.2 2.7 38.2 372 185 B L H >< S+ 0 0 45 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.914 110.0 53.6 -66.0 -36.6 -10.2 2.7 35.0 373 186 B K H 3< S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 99.4 63.1 -68.2 -25.7 -13.4 3.8 36.8 374 187 B A H 3< 0 0 45 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.715 360.0 360.0 -71.5 -18.2 -11.5 6.8 38.3 375 188 B G << 0 0 95 -3,-1.2 -3,-0.0 -4,-0.6 -145,-0.0 -0.266 360.0 360.0 -93.3 360.0 -11.0 8.0 34.7