==== 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 HYDROLASE/HYDROLASE INHIBITOR 11-AUG-05 2ANL . COMPND 2 MOLECULE: PLASMEPSIN IV; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM MALARIAE; . AUTHOR J.C.CLEMENTE,L.GOVINDASAMY,A.MADABUSHI,S.Z.FISHER,R.E.MOOSE, . 654 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 2 0.3 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 . 83 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 6 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 PARALLEL BRIDGES PER LADDER . 4 8 6 14 2 4 2 2 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 2 2 0 0 4 2 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 S 0 0 101 0, 0.0 171,-0.1 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 175.3 83.2 29.5 20.1 2 2 A E + 0 0 87 169,-0.1 3,-0.1 2,-0.0 170,-0.1 0.554 360.0 155.6 -50.6 -4.4 84.0 26.5 22.4 3 3 A N - 0 0 11 168,-0.2 168,-0.2 1,-0.1 2,-0.1 0.039 45.3-128.9 -25.4 101.9 80.4 25.8 21.3 4 4 A D E -A 170 0A 1 166,-1.2 166,-2.1 165,-0.0 2,-0.5 -0.451 21.8-151.1 -64.6 135.7 79.9 22.1 21.5 5 5 A V E -A 169 0A 69 164,-0.2 2,-0.5 -2,-0.1 90,-0.3 -0.968 10.8-169.0-114.9 127.2 78.5 20.7 18.3 6 6 A I E -A 168 0A 8 162,-2.9 162,-2.3 -2,-0.5 2,-0.6 -0.959 18.4-134.2-115.7 128.7 76.4 17.5 18.3 7 7 A E E -A 167 0A 84 -2,-0.5 12,-0.6 160,-0.2 2,-0.5 -0.732 10.3-155.7 -92.7 122.2 75.5 15.9 15.1 8 8 A L E -AB 166 18A 0 158,-1.7 158,-1.5 -2,-0.6 2,-0.5 -0.829 12.3-163.6 -90.8 123.1 72.0 14.8 14.5 9 9 A D E - B 0 17A 44 8,-2.0 8,-1.9 -2,-0.5 2,-0.1 -0.938 7.9-143.2-114.9 125.4 71.8 12.0 12.0 10 10 A D E - B 0 16A 48 -2,-0.5 2,-0.3 154,-0.3 6,-0.2 -0.430 10.1-143.0 -94.7 165.6 68.5 11.2 10.3 11 11 A V E > - B 0 15A 36 4,-1.4 4,-0.8 -2,-0.1 -1,-0.0 -0.955 43.2 -71.3-149.8 145.9 67.2 7.8 9.3 12 12 A A T 4 S+ 0 0 79 -2,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.321 123.3 38.5 -24.2 -53.5 65.3 6.4 6.5 13 13 A N T 4 S- 0 0 125 1,-0.1 -3,-0.0 2,-0.1 -1,-0.0 0.661 116.5 -80.4 -61.2-127.9 62.1 8.1 7.6 14 14 A L T 4 S+ 0 0 45 -4,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.206 88.9 105.1-141.6 46.8 62.4 11.6 9.0 15 15 A M E < -B 11 0A 45 -4,-0.8 -4,-1.4 288,-0.0 2,-0.3 -0.976 52.4-148.0-125.0 147.1 63.4 11.3 12.6 16 16 A F E -B 10 0A 9 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.850 10.4-169.9-116.8 146.5 66.9 12.0 13.8 17 17 A Y E -B 9 0A 58 -8,-1.9 -8,-2.0 -2,-0.3 2,-0.3 -0.651 10.7-146.9-118.3 175.9 69.0 10.6 16.6 18 18 A G E -B 8 0A 0 -10,-0.2 13,-2.2 -2,-0.2 -10,-0.2 -0.990 26.4 -99.7-142.8 156.1 72.4 11.9 18.1 19 19 A E E -G 30 0B 92 -12,-0.6 2,-0.3 -2,-0.3 11,-0.2 -0.385 42.2-178.9 -72.2 154.2 75.4 10.0 19.6 20 20 A G E -G 29 0B 4 9,-0.7 9,-1.6 73,-0.1 2,-0.4 -0.877 10.4-165.7-156.5 124.0 75.5 9.9 23.4 21 21 A E E -GH 28 92B 27 71,-1.5 71,-3.2 -2,-0.3 2,-0.4 -0.915 1.2-166.6-116.5 143.2 78.0 8.5 25.8 22 22 A V E > +GH 27 91B 6 5,-1.7 5,-1.5 -2,-0.4 69,-0.3 -0.993 50.1 3.2-120.8 122.1 77.7 7.8 29.6 23 23 A G T > 5S- 0 0 0 67,-4.4 3,-1.3 -2,-0.4 69,-0.1 -0.090 88.6 -61.5 106.5 163.9 80.6 7.0 31.8 24 24 A D T 3 5S+ 0 0 83 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.885 132.5 50.1 -45.9 -50.1 84.4 6.6 31.9 25 25 A N T 3 5S- 0 0 69 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.661 110.7-131.7 -73.6 -8.6 84.4 3.8 29.4 26 26 A H T < 5 - 0 0 78 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.989 22.0-157.6 58.9 64.2 82.2 6.2 27.3 27 27 A Q E < -G 22 0B 37 -5,-1.5 -5,-1.7 32,-0.1 2,-0.3 -0.650 16.5-129.9 -71.5 132.4 79.5 3.8 26.4 28 28 A K E -G 21 0B 123 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.631 28.9-180.0 -91.0 142.1 77.8 5.1 23.2 29 29 A F E -G 20 0B 4 -9,-1.6 2,-0.7 -2,-0.3 -9,-0.7 -0.999 31.3-132.2-148.6 135.8 74.1 5.6 22.7 30 30 A M E +G 19 0B 30 -2,-0.4 91,-2.7 -11,-0.2 92,-1.9 -0.821 44.0 169.0 -85.6 115.9 71.7 6.7 20.1 31 31 A L - 0 0 8 -13,-2.2 92,-0.2 -2,-0.7 2,-0.2 0.158 33.1-121.1-105.0-141.3 69.5 9.1 22.0 32 32 A I - 0 0 22 -15,-0.2 92,-2.4 88,-0.1 2,-0.7 -0.683 17.2-139.1-170.6 112.6 66.8 11.6 21.0 33 33 A F E -i 124 0C 1 -2,-0.2 2,-0.4 -17,-0.2 92,-0.2 -0.741 31.9-179.1 -88.3 123.2 67.3 15.2 21.9 34 34 A D E -i 125 0C 15 90,-2.1 92,-3.7 -2,-0.7 3,-0.4 -0.977 35.1-166.8-133.4 122.3 63.9 16.4 22.9 35 35 A T S S+ 0 0 1 -2,-0.4 158,-0.5 90,-0.2 178,-0.2 0.189 90.4 68.5 -90.1 17.2 62.6 19.8 24.1 36 36 A G S S+ 0 0 17 156,-0.1 2,-0.2 91,-0.1 -1,-0.2 0.685 99.4 40.4-107.9 -32.4 59.5 18.0 25.2 37 37 A S - 0 0 10 -3,-0.4 90,-1.9 87,-0.1 89,-0.9 -0.657 63.8-152.2-108.8 173.9 60.8 16.0 28.0 38 38 A A + 0 0 12 93,-0.5 2,-0.2 87,-0.2 98,-0.2 0.076 64.3 76.3-136.0 29.1 63.3 17.0 30.7 39 39 A N - 0 0 7 92,-0.1 86,-4.3 93,-0.1 2,-0.3 -0.641 63.6-131.3-123.7-175.2 64.9 13.8 31.7 40 40 A L E +J 124 0C 6 84,-0.3 63,-3.3 -2,-0.2 2,-0.3 -0.996 25.4 166.5-141.7 136.6 67.4 11.4 30.5 41 41 A W E -Jk 123 103C 3 82,-1.6 82,-1.5 -2,-0.3 63,-0.2 -0.999 15.6-169.5-150.7 151.3 67.3 7.7 30.2 42 42 A V E - k 0 104C 0 61,-1.7 63,-2.1 -2,-0.3 2,-0.4 -0.999 41.5-102.6-140.0 131.6 69.2 4.8 28.6 43 43 A P E - k 0 105C 1 0, 0.0 15,-1.8 0, 0.0 63,-0.2 -0.413 47.6-133.9 -62.5 112.8 68.0 1.2 28.5 44 44 A S B > -o 58 0D 0 61,-2.3 3,-0.6 -2,-0.4 15,-0.2 -0.373 12.7-120.7 -77.6 154.9 70.0 -0.4 31.2 45 45 A K T 3 S+ 0 0 99 13,-3.5 2,-1.3 1,-0.3 14,-0.1 0.829 110.6 72.4 -58.0 -35.5 71.8 -3.7 30.9 46 46 A K T 3 S+ 0 0 124 12,-0.5 2,-0.3 59,-0.0 -1,-0.3 -0.032 83.2 97.8 -72.7 35.6 69.7 -4.9 33.8 47 47 A a < + 0 0 2 -2,-1.3 60,-0.1 -3,-0.6 59,-0.1 -0.903 42.1 172.5-122.5 153.2 66.7 -4.9 31.3 48 48 A N + 0 0 144 58,-0.3 5,-0.1 -2,-0.3 -1,-0.1 0.453 30.9 132.8-143.4 -8.2 65.4 -7.9 29.4 49 49 A S S >> S- 0 0 18 57,-0.5 4,-1.2 1,-0.1 3,-0.8 -0.238 71.2-114.3 -37.1 126.4 62.3 -6.7 27.7 50 50 A I H >> S+ 0 0 112 1,-0.2 3,-2.2 2,-0.2 4,-0.6 0.907 117.2 65.6 -25.7 -62.6 62.3 -7.8 24.1 51 51 A G H >4 S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.834 102.0 46.9 -32.0 -58.8 62.5 -4.0 23.3 52 52 A a H X4 S+ 0 0 1 -3,-0.8 3,-2.9 1,-0.2 -1,-0.3 0.729 92.9 84.5 -58.6 -33.9 66.0 -3.9 24.9 53 53 A S H << S+ 0 0 86 -3,-2.2 -1,-0.2 -4,-1.2 -2,-0.2 0.874 101.2 31.0 -29.5 -66.5 67.0 -7.2 23.0 54 54 A T T << S+ 0 0 106 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 -0.050 110.9 97.3 -89.7 28.8 68.0 -5.2 19.9 55 55 A K S < S- 0 0 31 -3,-2.9 2,-0.3 64,-0.0 66,-0.1 -0.916 81.0-104.9-127.9 148.9 69.1 -2.2 21.8 56 56 A H - 0 0 104 -2,-0.3 2,-0.3 -26,-0.1 -2,-0.1 -0.540 44.3-158.7 -63.5 124.1 72.3 -0.6 23.2 57 57 A L - 0 0 47 -2,-0.3 2,-0.5 -4,-0.1 -13,-0.3 -0.816 11.1-126.4-111.2 146.3 72.2 -1.3 27.0 58 58 A Y B -o 44 0D 0 -15,-1.8 -13,-3.5 -2,-0.3 -12,-0.5 -0.789 21.5-168.5 -95.0 131.9 74.0 0.6 29.7 59 59 A D - 0 0 18 -2,-0.5 4,-0.2 -15,-0.2 -32,-0.1 -0.988 6.4-165.6-132.1 134.7 76.2 -1.3 32.2 60 60 A S S > S+ 0 0 4 -2,-0.4 3,-1.9 1,-0.2 6,-0.3 0.784 76.1 67.6-100.7 -43.8 77.5 0.3 35.3 61 61 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.2 3,-0.1 5,-0.1 0.956 92.7 71.2 -34.5 -58.3 80.2 -1.9 36.8 62 62 A K T 3 S+ 0 0 103 2,-0.1 -1,-0.3 -38,-0.0 2,-0.2 0.643 97.6 53.1 -44.5 -30.0 82.2 -1.0 33.8 63 63 A S < - 0 0 7 -3,-1.9 2,-0.2 -4,-0.2 -40,-0.0 -0.602 64.2-155.5-100.2 167.5 82.7 2.5 34.9 64 64 A K S S+ 0 0 171 -2,-0.2 3,-0.1 1,-0.0 -3,-0.1 -0.709 88.4 63.0-143.3 78.4 84.0 3.9 38.1 65 65 A S S S+ 0 0 56 -2,-0.2 2,-0.4 23,-0.1 -42,-0.1 -0.144 72.5 122.9-165.2 -17.7 82.5 7.3 38.2 66 66 A Y - 0 0 57 -6,-0.3 2,-0.4 -5,-0.1 23,-0.2 -0.394 48.8-163.7 -32.5 101.6 79.2 5.6 38.4 67 67 A E B -L 88 0C 113 21,-3.1 21,-1.8 -2,-0.4 2,-0.2 -0.883 20.6-118.7 -94.3 138.6 77.7 6.8 41.6 68 68 A K + 0 0 173 -2,-0.4 19,-0.1 19,-0.2 18,-0.1 -0.485 47.2 144.9 -86.4 146.6 74.8 4.7 42.9 69 69 A D + 0 0 59 17,-0.3 18,-0.2 -2,-0.2 -1,-0.1 0.403 12.9 177.5-137.3 -75.1 71.1 5.7 43.4 70 70 A G + 0 0 23 16,-2.7 17,-0.1 1,-0.3 -2,-0.0 0.371 22.6 153.5 78.2 -11.2 68.6 3.0 42.6 71 71 A T - 0 0 77 15,-0.2 15,-2.0 14,-0.1 -1,-0.3 -0.367 48.1-124.5 -48.0 125.3 65.7 5.2 43.7 72 72 A K E +M 85 0C 178 13,-0.2 13,-0.3 -3,-0.1 2,-0.3 -0.554 44.9 152.1 -83.7 148.2 63.0 3.6 41.6 73 73 A V E -M 84 0C 37 11,-1.5 11,-1.0 -2,-0.2 2,-0.3 -0.972 24.8-147.9-170.8 158.3 61.0 5.9 39.2 74 74 A E E -M 83 0C 83 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.948 5.4-148.6-140.6 158.7 59.0 6.3 36.0 75 75 A I E -M 82 0C 10 7,-1.2 7,-2.7 -2,-0.3 2,-0.7 -0.978 6.4-155.5-126.1 136.7 58.1 8.5 33.1 76 76 A T - 0 0 95 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.798 20.6-173.5-115.3 85.9 54.8 8.6 31.2 77 77 A Y > - 0 0 38 -2,-0.7 3,-1.4 3,-0.3 -40,-0.0 -0.117 43.4 -94.4 -68.0 170.9 55.5 10.1 27.8 78 78 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.903 125.1 35.4 -53.7 -44.5 52.8 10.9 25.3 79 79 A S T 3 S- 0 0 92 32,-0.0 2,-0.3 1,-0.0 -1,-0.3 -0.085 129.1 -29.3-108.6 36.8 53.2 7.5 23.6 80 80 A G < - 0 0 12 -3,-1.4 2,-0.3 31,-0.1 -3,-0.3 -0.956 59.2 -96.0 154.9-167.7 54.1 5.3 26.5 81 81 A T - 0 0 20 -2,-0.3 2,-0.3 27,-0.3 -5,-0.2 -0.991 23.7-159.0-147.0 143.3 55.6 4.8 30.0 82 82 A V E -M 75 0C 3 -7,-2.7 -7,-1.2 -2,-0.3 2,-0.3 -0.844 2.2-160.6-124.5 155.6 59.0 3.6 31.2 83 83 A R E +MN 74 107C 139 24,-1.2 23,-2.9 -2,-0.3 24,-0.8 -0.977 36.2 94.3-137.8 150.3 60.3 2.2 34.5 84 84 A G E -MN 73 105C 11 -11,-1.0 -11,-1.5 -2,-0.3 2,-0.3 -0.841 60.8 -73.9 168.2-135.7 63.7 1.8 36.1 85 85 A F E -MN 72 104C 35 19,-1.7 19,-2.3 -13,-0.3 -13,-0.2 -0.927 35.3 -97.4-167.9 140.6 65.8 3.8 38.6 86 86 A F E + N 0 103C 5 -15,-2.0 -16,-2.7 -2,-0.3 -17,-0.3 -0.193 41.0 170.6 -58.0 145.2 67.9 6.9 39.0 87 87 A S E - N 0 102C 0 15,-2.5 15,-2.4 -18,-0.2 2,-0.4 -0.893 23.2-142.2-142.1 163.1 71.6 6.5 38.6 88 88 A K E +LN 67 101C 80 -21,-1.8 -21,-3.1 -2,-0.3 13,-0.2 -0.972 38.0 135.3-132.7 116.8 74.2 9.2 38.4 89 89 A D E - N 0 100C 1 11,-1.6 11,-3.1 -2,-0.4 2,-0.6 -0.642 59.7 -57.8-135.2-158.2 77.3 8.8 36.1 90 90 A L E - N 0 99C 28 9,-0.3 -67,-4.4 -2,-0.2 2,-0.5 -0.804 46.8-168.5 -95.3 120.1 79.4 10.7 33.6 91 91 A V E -H 22 0B 8 7,-5.2 2,-0.4 -2,-0.6 -69,-0.2 -0.936 6.9-172.3-114.3 127.2 77.3 12.0 30.7 92 92 A T E -H 21 0B 2 -71,-3.2 -71,-1.5 -2,-0.5 2,-0.4 -0.956 20.3-161.6-131.5 139.0 79.2 13.4 27.7 93 93 A L B > -P 96 0E 13 3,-3.1 2,-1.0 -2,-0.4 3,-0.8 -0.523 56.9 -88.6-120.7 62.6 78.1 15.2 24.6 94 94 A G T 3 S+ 0 0 60 -2,-0.4 -88,-0.1 1,-0.3 -1,-0.1 -0.640 121.8 23.8 75.6-101.6 81.0 14.9 22.2 95 95 A Y T 3 S+ 0 0 164 -2,-1.0 2,-0.3 -90,-0.3 -1,-0.3 0.810 125.9 54.3 -61.9 -38.2 83.2 18.0 23.0 96 96 A L B < -P 93 0E 12 -3,-0.8 -3,-3.1 2,-0.0 2,-0.2 -0.751 62.3-169.2-108.6 150.2 81.9 18.3 26.6 97 97 A S + 0 0 42 -2,-0.3 -5,-0.2 -5,-0.3 -75,-0.0 -0.487 11.5 165.9-119.4-173.7 81.6 15.8 29.5 98 98 A L - 0 0 5 -2,-0.2 -7,-5.2 2,-0.1 2,-0.6 -0.608 39.4-111.5 161.2 141.2 79.8 16.0 32.8 99 99 A P E + N 0 90C 54 0, 0.0 -9,-0.3 0, 0.0 2,-0.2 -0.840 53.4 168.4 -90.9 120.0 78.6 13.9 35.8 100 100 A Y E - N 0 89C 11 -11,-3.1 -11,-1.6 -2,-0.6 2,-0.5 -0.796 38.3-108.6-135.9 172.3 74.8 13.7 35.6 101 101 A K E + N 0 88C 64 -13,-0.2 -13,-0.2 -2,-0.2 2,-0.2 -0.901 45.4 154.7-107.9 120.1 71.6 12.1 36.9 102 102 A F E - N 0 87C 0 -15,-2.4 -15,-2.5 -2,-0.5 2,-0.5 -0.775 42.2 -98.4-136.7 177.2 69.7 9.8 34.6 103 103 A I E -kN 41 86C 5 -63,-3.3 -61,-1.7 -17,-0.2 2,-0.8 -0.884 20.8-146.0-107.1 134.5 67.3 6.9 34.6 104 104 A E E -kN 42 85C 0 -19,-2.3 -19,-1.7 -2,-0.5 2,-0.3 -0.874 29.1-138.7 -95.3 110.5 68.6 3.4 34.1 105 105 A V E +kN 43 84C 3 -63,-2.1 -61,-2.3 -2,-0.8 -21,-0.3 -0.555 38.2 155.7 -83.7 135.6 65.7 1.8 32.3 106 106 A T E + 0 0 48 -23,-2.9 2,-0.8 -2,-0.3 -57,-0.5 0.695 62.8 43.3-111.8 -70.0 64.5 -1.6 33.0 107 107 A D E + N 0 83C 61 -24,-0.8 -24,-1.2 1,-0.2 -1,-0.2 -0.727 59.1 141.6 -97.7 109.7 60.9 -2.1 32.0 108 108 A T + 0 0 4 -2,-0.8 -27,-0.3 -26,-0.2 4,-0.2 0.888 17.7 123.9 -98.3 -72.7 59.9 -0.7 28.6 109 109 A D S S+ 0 0 62 1,-0.2 -28,-0.0 2,-0.1 -29,-0.0 0.599 72.7 58.1 -9.5 116.8 57.5 -2.8 26.6 110 110 A D S S+ 0 0 85 -30,-0.1 -1,-0.2 -31,-0.1 4,-0.1 -0.056 84.0 69.3 153.1 -44.6 54.8 -0.3 26.1 111 111 A L S > S+ 0 0 11 -30,-0.2 4,-4.3 -3,-0.2 -2,-0.1 -0.084 100.5 146.5 -75.7 22.8 56.6 2.4 24.5 112 112 A E T 4 + 0 0 42 2,-0.3 -1,-0.0 -4,-0.2 -32,-0.0 -0.866 36.5 29.9-118.4 102.2 56.1 -0.5 22.5 113 113 A P T >> S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.574 126.6 49.1-127.9 -39.3 55.7 -1.1 19.3 114 114 A L H >> S+ 0 0 79 1,-0.2 3,-2.3 2,-0.2 4,-0.8 0.889 92.9 71.9 13.1-114.2 57.6 1.9 18.8 115 115 A Y H 3< S+ 0 0 2 -4,-4.3 5,-0.4 1,-0.3 -1,-0.2 0.419 111.4 28.3 -30.9 -36.1 60.5 1.3 21.0 116 116 A T H <4 S+ 0 0 64 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.865 114.5 62.9 -84.6 -43.7 62.0 -1.4 18.7 117 117 A A H << S+ 0 0 83 -3,-2.3 2,-0.4 -4,-1.6 -2,-0.2 0.707 97.3 75.4 -50.5 -24.3 60.6 -0.0 15.5 118 118 A A S < S- 0 0 32 -4,-0.8 2,-3.9 -5,-0.1 -1,-0.0 -0.804 85.8-125.6-106.3 131.7 62.6 3.2 16.1 119 119 A E S S+ 0 0 118 -2,-0.4 2,-0.3 -104,-0.1 -3,-0.1 -0.185 76.1 103.6 -66.3 55.3 66.4 3.6 15.6 120 120 A F - 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0 0 10 -3,-0.4 90,-1.9 87,-0.1 89,-0.9 -0.656 63.8-152.2-108.9 173.9 77.3 62.6 31.0 366 38 B A + 0 0 10 93,-0.5 2,-0.2 87,-0.2 98,-0.2 0.076 64.3 76.3-136.0 29.1 75.3 64.5 33.5 367 39 B N - 0 0 8 92,-0.1 86,-4.3 93,-0.1 2,-0.3 -0.641 63.6-131.3-123.7-175.3 77.5 67.3 34.5 368 40 B L E +J 452 0J 5 84,-0.3 63,-3.3 -2,-0.2 2,-0.3 -0.996 25.4 166.5-141.7 136.7 78.7 70.6 33.2 369 41 B W E -Jk 451 431J 3 82,-1.6 82,-1.5 -2,-0.3 63,-0.2 -0.999 15.6-169.5-150.8 151.3 82.2 72.0 32.9 370 42 B V E - k 0 432J 0 61,-1.7 63,-2.1 -2,-0.3 2,-0.4 -0.999 41.5-102.6-140.0 131.6 84.0 74.8 31.3 371 43 B P E - k 0 433J 1 0, 0.0 15,-1.8 0, 0.0 63,-0.2 -0.413 47.6-133.9 -62.5 112.8 87.8 75.2 31.2 372 44 B S B > -o 386 0K 0 61,-2.3 3,-0.6 -2,-0.4 15,-0.2 -0.373 12.7-120.7 -77.6 154.9 88.5 77.8 33.8 373 45 B K T 3 S+ 0 0 101 13,-3.5 2,-1.3 1,-0.3 14,-0.1 0.829 110.7 72.4 -58.1 -35.5 90.7 80.7 33.4 374 46 B K T 3 S+ 0 0 122 12,-0.5 2,-0.3 59,-0.0 -1,-0.3 -0.032 83.2 97.8 -72.7 35.6 92.7 79.4 36.3 375 47 B c < + 0 0 2 -2,-1.3 60,-0.1 -3,-0.6 59,-0.1 -0.904 42.1 172.4-122.5 153.2 93.9 76.6 33.9 376 48 B N + 0 0 146 58,-0.3 5,-0.1 -2,-0.3 -1,-0.1 0.453 30.9 132.7-143.4 -8.1 97.2 76.6 32.1 377 49 B S S >> S- 0 0 18 57,-0.5 4,-1.2 1,-0.1 3,-0.8 -0.238 71.2-114.4 -37.2 126.5 97.3 73.2 30.5 378 50 B I H >> S+ 0 0 113 1,-0.2 3,-2.2 2,-0.2 4,-0.6 0.907 117.2 65.6 -25.8 -62.6 98.3 73.6 26.9 379 51 B G H >4 S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.834 102.1 46.9 -32.0 -58.8 94.8 72.2 26.1 380 52 B c H X4 S+ 0 0 2 -3,-0.8 3,-2.9 1,-0.2 -1,-0.3 0.729 92.9 84.5 -58.6 -33.9 93.3 75.4 27.6 381 53 B S H << S+ 0 0 87 -3,-2.2 -1,-0.2 -4,-1.2 -2,-0.2 0.873 101.2 31.0 -29.5 -66.6 95.9 77.6 25.6 382 54 B T T << S+ 0 0 107 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 -0.051 110.9 97.3 -89.7 28.8 93.7 77.6 22.5 383 55 B K S < S- 0 0 31 -3,-2.9 2,-0.3 64,-0.0 66,-0.1 -0.916 81.0-104.9-128.0 148.9 90.5 77.4 24.4 384 56 B H - 0 0 108 -2,-0.3 2,-0.3 -26,-0.1 -2,-0.1 -0.540 44.3-158.7 -63.5 124.1 87.8 79.7 25.8 385 57 B L - 0 0 47 -2,-0.3 2,-0.5 -4,-0.1 -13,-0.3 -0.816 11.1-126.4-111.2 146.3 88.4 80.0 29.5 386 58 B Y B -o 372 0K 0 -15,-1.8 -13,-3.5 -2,-0.3 -12,-0.5 -0.789 21.5-168.5 -95.0 131.9 85.9 81.0 32.3 387 59 B D - 0 0 18 -2,-0.5 4,-0.2 -15,-0.2 -32,-0.1 -0.988 6.4-165.6-132.0 134.7 86.7 83.8 34.7 388 60 B S S > S+ 0 0 5 -2,-0.4 3,-1.9 1,-0.2 6,-0.3 0.784 76.1 67.6-100.7 -43.7 84.7 84.4 37.7 389 61 B S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 3,-0.1 5,-0.1 0.955 92.7 71.2 -34.5 -58.3 85.6 87.8 39.2 390 62 B K T 3 S+ 0 0 107 2,-0.1 -1,-0.3 -38,-0.0 2,-0.2 0.644 97.6 53.1 -44.5 -29.9 84.0 89.2 36.1 391 63 B S < - 0 0 7 -3,-1.9 2,-0.2 -4,-0.2 -40,-0.0 -0.601 64.2-155.5-100.2 167.5 80.6 88.2 37.2 392 64 B K S S+ 0 0 169 -2,-0.2 3,-0.1 1,-0.0 -3,-0.1 -0.708 88.4 63.0-143.3 78.5 78.7 88.9 40.4 393 65 B S S S+ 0 0 56 -2,-0.2 2,-0.4 23,-0.1 -42,-0.1 -0.144 72.5 122.9-165.2 -17.8 76.3 86.1 40.6 394 66 B Y - 0 0 56 -6,-0.3 2,-0.4 -5,-0.1 23,-0.2 -0.394 48.8-163.7 -32.5 101.6 79.2 83.9 40.8 395 67 B E B -L 416 0J 109 21,-3.1 21,-1.8 -2,-0.4 2,-0.2 -0.884 20.6-118.7 -94.3 138.6 78.6 82.1 44.1 396 68 B K + 0 0 173 -2,-0.4 19,-0.1 19,-0.2 18,-0.1 -0.484 47.2 144.9 -86.4 146.6 81.8 80.3 45.4 397 69 B D + 0 0 58 17,-0.3 18,-0.2 -2,-0.2 -1,-0.1 0.404 12.9 177.5-137.3 -75.1 82.4 76.6 46.0 398 70 B G + 0 0 23 16,-2.7 17,-0.1 1,-0.3 -2,-0.0 0.370 22.6 153.5 78.1 -11.1 85.8 75.4 45.3 399 71 B T - 0 0 77 15,-0.2 15,-2.0 14,-0.1 -1,-0.3 -0.366 48.1-124.5 -48.0 125.3 85.0 71.9 46.5 400 72 B K E +M 413 0J 180 13,-0.2 13,-0.3 -3,-0.1 2,-0.3 -0.555 44.9 152.0 -83.7 148.2 87.6 70.0 44.4 401 73 B V E -M 412 0J 39 11,-1.5 11,-1.0 -2,-0.2 2,-0.3 -0.972 24.8-147.9-170.8 158.4 86.3 67.2 42.1 402 74 B E E -M 411 0J 84 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.948 5.4-148.6-140.6 158.7 86.8 65.1 38.9 403 75 B I E -M 410 0J 10 7,-1.2 7,-2.7 -2,-0.3 2,-0.7 -0.978 6.4-155.5-126.0 136.7 85.2 63.3 36.1 404 76 B T - 0 0 95 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.798 20.6-173.5-115.3 86.0 86.4 60.2 34.2 405 77 B Y > - 0 0 38 -2,-0.7 3,-1.4 3,-0.3 -40,-0.0 -0.117 43.4 -94.4 -68.0 170.9 84.8 60.1 30.8 406 78 B G T 3 S+ 0 0 89 1,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.903 125.1 35.4 -53.7 -44.5 85.2 57.3 28.4 407 79 B S T 3 S- 0 0 90 32,-0.0 2,-0.3 1,-0.0 -1,-0.3 -0.085 129.1 -29.3-108.6 36.8 88.1 59.0 26.6 408 80 B G < - 0 0 12 -3,-1.4 2,-0.3 31,-0.1 -3,-0.3 -0.956 59.2 -96.0 154.9-167.8 89.8 60.8 29.5 409 81 B T - 0 0 21 -2,-0.3 2,-0.3 27,-0.3 -5,-0.2 -0.990 23.7-159.0-147.0 143.3 89.6 62.5 32.9 410 82 B V E -M 403 0J 4 -7,-2.7 -7,-1.2 -2,-0.3 2,-0.3 -0.844 2.2-160.7-124.4 155.6 89.3 66.1 34.1 411 83 B R E +MN 402 435J 135 24,-1.2 23,-2.9 -2,-0.3 24,-0.8 -0.977 36.2 94.3-137.8 150.3 90.0 68.0 37.4 412 84 B G E -MN 401 433J 11 -11,-1.0 -11,-1.5 -2,-0.3 2,-0.3 -0.841 60.8 -73.9 168.2-135.7 88.9 71.3 38.9 413 85 B F E -MN 400 432J 32 19,-1.7 19,-2.3 -13,-0.3 -13,-0.2 -0.927 35.3 -97.5-167.9 140.6 86.3 72.4 41.3 414 86 B F E + N 0 431J 6 -15,-2.0 -16,-2.7 -2,-0.3 -17,-0.3 -0.193 41.0 170.6 -58.0 145.2 82.6 73.0 41.6 415 87 B S E - N 0 430J 0 15,-2.5 15,-2.4 -18,-0.2 2,-0.4 -0.893 23.2-142.2-142.1 163.1 81.4 76.6 41.2 416 88 B K E +LN 395 429J 80 -21,-1.8 -21,-3.1 -2,-0.3 13,-0.2 -0.972 38.0 135.3-132.7 116.8 77.9 77.9 41.0 417 89 B D E - N 0 428J 2 11,-1.6 11,-3.1 -2,-0.4 2,-0.6 -0.642 59.7 -57.8-135.2-158.2 77.1 80.8 38.6 418 90 B L E - N 0 427J 27 9,-0.3 -67,-4.4 -2,-0.2 2,-0.5 -0.804 46.8-168.5 -95.4 120.1 74.5 81.8 36.0 419 91 B V E -H 350 0I 8 7,-5.2 2,-0.4 -2,-0.6 -69,-0.2 -0.936 6.9-172.3-114.3 127.1 74.1 79.4 33.2 420 92 B T E -H 349 0I 2 -71,-3.2 -71,-1.5 -2,-0.5 2,-0.4 -0.956 20.3-161.6-131.5 139.0 72.1 80.4 30.2 421 93 B L B > -P 424 0L 12 3,-3.1 2,-1.0 -2,-0.4 3,-0.8 -0.523 56.8 -88.6-120.8 62.7 70.9 78.6 27.1 422 94 B G T 3 S+ 0 0 60 -2,-0.4 -88,-0.1 1,-0.3 -1,-0.1 -0.641 121.8 23.8 75.5-101.6 70.0 81.3 24.6 423 95 B Y T 3 S+ 0 0 163 -2,-1.0 2,-0.3 -90,-0.3 -1,-0.3 0.811 125.9 54.3 -61.9 -38.2 66.3 82.1 25.4 424 96 B L B < -P 421 0L 11 -3,-0.8 -3,-3.1 2,-0.0 2,-0.2 -0.752 62.3-169.2-108.6 150.2 66.6 80.8 29.0 425 97 B S + 0 0 43 -2,-0.3 -5,-0.2 -5,-0.3 -75,-0.0 -0.488 11.5 165.9-119.4-173.7 68.9 81.7 31.9 426 98 B L - 0 0 6 -2,-0.2 -7,-5.2 2,-0.1 2,-0.6 -0.608 39.4-111.6 161.2 141.2 69.4 80.0 35.3 427 99 B P E + N 0 418J 55 0, 0.0 -9,-0.3 0, 0.0 2,-0.2 -0.839 53.4 168.4 -90.9 120.0 71.9 79.9 38.3 428 100 B Y E - N 0 417J 12 -11,-3.1 -11,-1.6 -2,-0.6 2,-0.5 -0.796 38.3-108.6-136.0 172.3 73.6 76.5 38.2 429 101 B K E + N 0 416J 62 -13,-0.2 -13,-0.2 -2,-0.2 2,-0.2 -0.901 45.3 154.7-107.9 120.1 76.4 74.3 39.6 430 102 B F E - N 0 415J 0 -15,-2.4 -15,-2.5 -2,-0.5 2,-0.5 -0.775 42.2 -98.3-136.8 177.1 79.2 73.4 37.3 431 103 B I E -kN 369 414J 4 -63,-3.3 -61,-1.7 -17,-0.2 2,-0.8 -0.884 20.9-146.0-107.1 134.5 82.8 72.4 37.3 432 104 B E E -kN 370 413J 0 -19,-2.3 -19,-1.7 -2,-0.5 2,-0.3 -0.874 29.1-138.7 -95.3 110.6 85.5 75.0 36.8 433 105 B V E +kN 371 412J 2 -63,-2.1 -61,-2.3 -2,-0.8 -21,-0.3 -0.554 38.2 155.7 -83.8 135.7 88.2 73.0 35.0 434 106 B T E + 0 0 47 -23,-2.9 2,-0.8 -2,-0.3 -57,-0.5 0.695 62.8 43.3-111.8 -70.0 91.8 73.3 35.8 435 107 B D E + N 0 411J 60 -24,-0.8 -24,-1.2 1,-0.2 -1,-0.2 -0.727 59.1 141.6 -97.7 109.7 93.7 70.2 34.8 436 108 B T + 0 0 4 -2,-0.8 -27,-0.3 -26,-0.2 4,-0.2 0.888 17.7 123.9 -98.3 -72.6 92.9 68.6 31.5 437 109 B D S S+ 0 0 63 1,-0.2 -28,-0.0 2,-0.1 -29,-0.0 0.599 72.7 58.1 -9.5 116.7 95.8 67.2 29.5 438 110 B D S S+ 0 0 83 -30,-0.1 -1,-0.2 -31,-0.1 4,-0.1 -0.057 84.0 69.3 153.1 -44.6 94.5 63.7 29.1 439 111 B L S > S+ 0 0 12 -30,-0.2 4,-4.3 -3,-0.2 -2,-0.1 -0.084 100.5 146.6 -75.8 22.8 91.4 64.2 27.4 440 112 B E T 4 + 0 0 38 2,-0.3 -1,-0.0 -4,-0.2 -32,-0.0 -0.866 36.5 29.9-118.4 102.2 94.3 65.0 25.4 441 113 B P T >> S+ 0 0 91 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.575 126.6 49.1-127.9 -39.3 95.0 64.7 22.3 442 114 B L H >> S+ 0 0 82 1,-0.2 3,-2.3 2,-0.2 4,-0.8 0.888 92.9 71.9 13.1-114.3 91.5 65.2 21.7 443 115 B Y H 3< S+ 0 0 1 -4,-4.3 5,-0.4 1,-0.3 -1,-0.2 0.419 111.4 28.3 -30.9 -36.1 90.8 68.1 23.8 444 116 B T H <4 S+ 0 0 64 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.865 114.5 62.9 -84.6 -43.8 92.7 70.6 21.5 445 117 B A H << S+ 0 0 84 -3,-2.3 2,-0.4 -4,-1.6 -2,-0.2 0.707 97.3 75.4 -50.5 -24.3 92.0 68.6 18.3 446 118 B A S < S- 0 0 32 -4,-0.8 2,-3.9 -5,-0.1 -1,-0.0 -0.804 85.8-125.6-106.3 131.7 88.3 69.2 18.9 447 119 B E S S+ 0 0 116 -2,-0.4 2,-0.3 -104,-0.1 -3,-0.1 -0.185 76.1 103.6 -66.3 55.3 86.3 72.4 18.3 448 120 B F - 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