==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-07 2Q41 . COMPND 2 MOLECULE: SPERMIDINE SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 1150 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 15.3 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 0.7 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 . 97 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 3 0 9 5 3 0 8 0 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 4 9 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 . 2 1 0 10 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 3 3 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 41 A S 0 0 49 0, 0.0 2,-0.5 0, 0.0 871,-0.2 0.000 360.0 360.0 360.0 159.1 -8.3 -11.2 88.7 2 42 A T - 0 0 72 869,-0.6 2,-0.5 870,-0.4 872,-0.3 -0.962 360.0-144.2-116.8 125.9 -5.3 -13.4 89.6 3 43 A V - 0 0 3 -2,-0.5 872,-0.3 872,-0.2 870,-0.1 -0.785 15.6-126.9 -94.4 121.7 -1.8 -12.6 88.2 4 44 A I - 0 0 60 870,-3.9 3,-0.4 -2,-0.5 2,-0.0 -0.384 36.0-124.4 -60.5 137.4 0.5 -15.4 87.3 5 45 A P S S+ 0 0 56 0, 0.0 601,-0.2 0, 0.0 602,-0.2 -0.279 78.8 54.6 -83.1 170.9 3.8 -14.8 89.1 6 46 A G S S+ 0 0 5 599,-0.5 18,-2.8 1,-0.2 2,-0.4 0.533 77.9 121.6 87.7 10.9 7.3 -14.5 87.8 7 47 A W E -Ab 23 607A 20 599,-0.5 601,-1.0 -3,-0.4 2,-0.5 -0.846 49.1-151.4-117.6 146.3 6.8 -11.8 85.3 8 48 A F E -Ab 22 608A 13 14,-3.3 14,-2.3 -2,-0.4 2,-0.5 -0.942 19.1-163.1-107.4 125.5 8.3 -8.3 84.6 9 49 A S E -A 21 0A 6 599,-2.4 2,-0.6 -2,-0.5 12,-0.2 -0.938 13.3-143.6-120.2 119.8 5.9 -5.9 82.8 10 50 A E E +A 20 0A 2 10,-2.9 10,-1.0 -2,-0.5 2,-0.4 -0.649 32.5 170.5 -77.6 114.7 7.0 -2.7 81.1 11 51 A X + 0 0 13 -2,-0.6 8,-0.1 43,-0.2 600,-0.1 -0.991 7.1 158.5-135.3 133.0 4.2 -0.1 81.7 12 52 A S > - 0 0 18 3,-0.5 3,-1.1 6,-0.4 6,-0.2 -0.979 47.1-128.3-147.3 157.2 4.1 3.6 81.0 13 53 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 599,-0.0 0.698 109.8 71.3 -77.0 -17.4 1.5 6.3 80.5 14 54 A X T 3 S+ 0 0 59 1,-0.3 -3,-0.0 -3,-0.0 152,-0.0 0.561 114.2 25.1 -71.4 -9.7 3.5 7.1 77.4 15 55 A W S X S- 0 0 4 -3,-1.1 3,-0.8 3,-0.1 -3,-0.5 -0.391 91.6-176.5-154.3 66.6 2.0 3.8 76.1 16 56 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.244 60.9 26.3 -68.6 150.2 -1.3 3.2 78.0 17 57 A G T 3 S+ 0 0 7 1,-0.2 878,-2.3 877,-0.1 2,-0.3 0.410 111.7 75.0 77.9 -1.8 -3.6 0.2 77.7 18 58 A E E < + C 0 894A 10 -3,-0.8 -6,-0.4 -6,-0.2 2,-0.3 -0.946 52.2 177.4-140.1 160.7 -0.7 -2.0 76.6 19 59 A A E - C 0 893A 2 874,-1.6 874,-2.7 -2,-0.3 2,-0.5 -0.949 21.4-140.1-164.6 140.2 2.4 -3.7 78.1 20 60 A H E -AC 10 892A 19 -10,-1.0 -10,-2.9 -2,-0.3 2,-0.3 -0.889 27.2-162.9-103.8 133.2 5.2 -6.0 77.2 21 61 A S E -AC 9 891A 2 870,-3.6 870,-1.5 -2,-0.5 2,-0.3 -0.778 12.4-168.0-117.4 160.6 6.1 -8.7 79.7 22 62 A L E -AC 8 890A 6 -14,-2.3 -14,-3.3 -2,-0.3 2,-0.4 -0.985 29.1-118.4-145.7 131.8 9.1 -11.0 80.3 23 63 A K E -A 7 0A 66 866,-2.2 21,-1.7 -2,-0.3 2,-0.4 -0.593 35.1-132.2 -71.1 122.5 9.4 -14.0 82.6 24 64 A V E -H 43 0B 11 -18,-2.8 19,-0.2 -2,-0.4 581,-0.2 -0.641 23.5-175.1 -80.4 131.0 12.1 -13.1 85.2 25 65 A E E S- 0 0 127 17,-3.4 2,-0.3 -2,-0.4 18,-0.2 0.892 70.4 -14.8 -88.7 -50.7 14.7 -15.8 85.7 26 66 A K E -H 42 0B 125 16,-1.6 16,-2.7 578,-0.1 -1,-0.4 -0.973 66.0-116.5-155.9 139.2 16.7 -14.2 88.5 27 67 A V E +H 41 0B 19 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.619 29.9 177.1 -76.1 132.6 16.9 -10.7 89.9 28 68 A L E - 0 0 8 12,-1.3 556,-0.3 -2,-0.3 13,-0.2 0.641 59.9 -28.4-111.3 -18.8 20.4 -9.2 89.4 29 69 A F E -H 40 0B 4 11,-0.9 11,-2.5 554,-0.2 2,-0.4 -0.476 48.5-176.4 162.6 126.1 20.0 -5.7 90.9 30 70 A Q E +Hi 39 586B 6 555,-1.1 557,-1.5 9,-0.2 2,-0.3 -0.998 20.4 147.4-134.9 135.6 17.5 -2.9 91.4 31 71 A G E -H 38 0B 1 7,-2.4 7,-3.2 -2,-0.4 2,-0.8 -0.981 44.2-124.1-164.5 150.5 18.1 0.5 92.8 32 72 A K E -H 37 0B 63 555,-0.4 5,-0.3 -2,-0.3 558,-0.1 -0.896 35.5-170.3-101.8 108.3 16.9 4.1 92.6 33 73 A S - 0 0 19 3,-3.2 80,-0.0 -2,-0.8 556,-0.0 0.014 46.6 -82.1 -78.8-165.8 20.0 6.2 91.8 34 74 A D S S+ 0 0 129 1,-0.1 3,-0.1 556,-0.0 -1,-0.0 0.813 129.9 25.8 -71.2 -28.3 20.0 10.0 91.9 35 75 A Y S S+ 0 0 133 1,-0.2 2,-0.3 77,-0.0 -1,-0.1 0.769 125.2 11.4-105.8 -34.0 18.4 10.0 88.4 36 76 A Q - 0 0 25 -5,-0.0 -3,-3.2 18,-0.0 2,-1.2 -0.987 64.0-110.0-152.1 158.8 16.6 6.8 87.9 37 77 A D E -H 32 0B 16 -2,-0.3 16,-2.2 -5,-0.3 17,-0.7 -0.768 51.9-163.4 -85.2 100.1 15.1 3.6 89.3 38 78 A V E -HJ 31 52B 0 -7,-3.2 -7,-2.4 -2,-1.2 2,-0.3 -0.536 13.6-179.1 -88.8 155.7 17.6 1.2 87.7 39 79 A I E -HJ 30 51B 14 12,-1.9 12,-3.2 -9,-0.2 2,-0.4 -0.978 14.5-175.5-155.2 140.8 17.2 -2.5 87.2 40 80 A V E +HJ 29 50B 0 -11,-2.5 -12,-1.3 -2,-0.3 -11,-0.9 -0.976 22.1 161.5-136.8 119.3 19.2 -5.4 85.8 41 81 A F E -HJ 27 49B 7 8,-2.2 8,-3.0 -2,-0.4 2,-0.7 -0.963 41.3-115.5-139.9 157.8 17.7 -8.9 85.7 42 82 A Q E -HJ 26 48B 41 -16,-2.7 -17,-3.4 -2,-0.3 -16,-1.6 -0.840 36.9-151.6 -93.3 115.4 18.1 -12.2 83.9 43 83 A S E -H 24 0B 1 4,-3.3 -19,-0.2 -2,-0.7 4,-0.1 -0.160 20.5-115.2 -77.4 178.3 15.1 -12.9 81.7 44 84 A A S S- 0 0 36 -21,-1.7 -20,-0.1 845,-0.4 -1,-0.1 0.917 103.9 -0.3 -80.6 -46.4 13.8 -16.3 80.8 45 85 A T S S+ 0 0 50 844,-0.3 845,-0.1 -22,-0.2 -1,-0.1 0.424 127.0 59.0-126.7 -1.8 14.3 -16.1 77.0 46 86 A Y S S- 0 0 6 1,-0.4 15,-1.4 843,-0.2 14,-0.7 0.303 92.3-134.2-112.3 9.9 15.8 -12.7 76.3 47 87 A G + 0 0 19 13,-0.2 -4,-3.3 -4,-0.1 -1,-0.4 -0.417 63.8 1.9 75.1-150.7 18.9 -12.9 78.4 48 88 A K E -J 42 0B 48 -6,-0.2 12,-1.3 -2,-0.1 2,-0.4 -0.471 69.7-157.7 -75.4 143.1 20.0 -10.1 80.6 49 89 A V E -JK 41 59B 0 -8,-3.0 -8,-2.2 10,-0.2 2,-0.5 -0.983 9.6-155.8-128.4 132.6 17.8 -7.0 80.7 50 90 A L E -JK 40 58B 0 8,-1.6 7,-2.0 -2,-0.4 8,-1.5 -0.918 15.7-175.0-105.5 129.6 18.6 -3.4 81.7 51 91 A V E -JK 39 56B 0 -12,-3.2 -12,-1.9 -2,-0.5 2,-0.5 -0.993 5.4-167.6-127.4 130.1 15.6 -1.3 82.8 52 92 A L E > S-JK 38 55B 8 3,-2.2 3,-1.4 -2,-0.4 -14,-0.2 -0.970 73.4 -20.1-123.5 125.6 15.7 2.4 83.7 53 93 A D T 3 S- 0 0 81 -16,-2.2 -15,-0.1 -2,-0.5 -1,-0.1 0.760 127.9 -54.7 52.2 25.7 12.9 4.3 85.4 54 94 A G T 3 S+ 0 0 14 -17,-0.7 2,-0.4 1,-0.2 -1,-0.3 -0.176 113.4 110.5 107.0 -41.4 10.6 1.4 84.4 55 95 A V E < S-K 52 0B 20 -3,-1.4 -3,-2.2 -45,-0.1 -1,-0.2 -0.561 79.6-110.3 -76.4 126.1 11.2 1.4 80.6 56 96 A I E -K 51 0B 2 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.364 33.3-168.2 -53.4 113.4 13.1 -1.6 79.2 57 97 A Q E - 0 0 23 -7,-2.0 2,-0.3 1,-0.3 -6,-0.2 0.754 60.0 -33.3 -80.8 -25.0 16.3 0.2 78.3 58 98 A L E -K 50 0B 12 -8,-1.5 -8,-1.6 171,-0.1 2,-0.3 -0.944 50.3-141.9 177.0 165.6 17.7 -2.7 76.3 59 99 A T E > -K 49 0B 0 -2,-0.3 4,-0.8 -10,-0.2 -10,-0.2 -0.966 20.7-130.8-142.3 151.5 17.8 -6.4 75.9 60 100 A E T 4 S+ 0 0 48 -12,-1.3 4,-0.4 -14,-0.7 3,-0.4 0.894 103.3 59.4 -72.4 -40.3 20.6 -8.7 74.9 61 101 A R T 4 S+ 0 0 95 -15,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.847 125.6 15.4 -58.3 -38.0 18.6 -10.7 72.4 62 102 A D T >> S+ 0 0 2 -16,-0.2 3,-1.4 1,-0.1 4,-0.9 0.221 88.0 109.6-124.3 15.9 17.7 -7.6 70.3 63 103 A E H 3X S+ 0 0 20 -4,-0.8 4,-3.1 -3,-0.4 5,-0.3 0.824 73.4 69.1 -58.9 -30.5 20.1 -4.9 71.4 64 104 A C H 3> S+ 0 0 15 -4,-0.4 4,-1.7 1,-0.2 5,-0.4 0.808 93.2 56.6 -57.9 -33.0 21.8 -5.3 68.0 65 105 A A H <> S+ 0 0 0 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.926 116.5 32.8 -67.3 -45.5 18.8 -3.8 66.3 66 106 A Y H X S+ 0 0 13 -4,-0.9 4,-2.8 -3,-0.2 5,-0.4 0.957 122.3 47.0 -75.5 -53.4 18.9 -0.6 68.3 67 107 A Q H X S+ 0 0 3 -4,-3.1 4,-1.4 1,-0.2 5,-0.3 0.955 116.1 42.1 -52.0 -61.4 22.6 -0.3 68.7 68 108 A E H X S+ 0 0 2 -4,-1.7 4,-2.0 -5,-0.3 5,-0.3 0.825 120.4 48.3 -56.6 -33.6 23.6 -1.1 65.0 69 109 A X H X S+ 0 0 0 -4,-0.9 4,-2.2 -5,-0.4 -2,-0.2 0.995 110.0 43.3 -70.6 -70.6 20.7 1.2 64.0 70 110 A I H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.689 126.8 38.3 -51.7 -21.5 21.1 4.4 66.1 71 111 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.908 118.3 38.1 -95.3 -63.3 24.8 4.1 65.3 72 112 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -3,-0.2 0.750 101.6 71.2 -66.9 -27.6 25.4 3.0 61.7 73 113 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.963 115.2 25.0 -56.7 -49.1 22.5 4.9 60.1 74 114 A P H >4 S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.932 119.4 57.5 -83.5 -38.2 24.3 8.1 60.6 75 115 A L H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.3 -3,-0.2 0.812 108.8 47.3 -58.5 -31.9 27.9 6.9 60.7 76 116 A C T 3< S+ 0 0 0 -4,-2.3 177,-1.7 1,-0.2 178,-1.5 0.466 99.4 69.8 -89.7 -0.6 27.6 5.3 57.3 77 117 A S T < S+ 0 0 6 -3,-1.7 171,-0.3 175,-0.3 -1,-0.2 0.395 99.4 51.9 -94.6 2.3 26.0 8.4 55.8 78 118 A I S < S- 0 0 3 -3,-0.7 2,-0.3 -4,-0.2 176,-0.1 -0.998 89.3-101.0-142.2 146.0 29.2 10.4 56.0 79 119 A P S S- 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.440 85.7 -28.4 -69.9 124.9 32.9 9.9 54.9 80 120 A N - 0 0 114 -2,-0.3 2,-0.2 1,-0.1 -4,-0.1 0.856 68.2-150.8 36.8 73.2 35.4 8.9 57.5 81 121 A P + 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.519 20.7 174.4 -70.0 135.3 34.0 10.2 60.8 82 122 A K + 0 0 98 1,-0.3 23,-3.4 -2,-0.2 24,-1.7 0.818 64.3 35.9-108.2 -45.3 37.0 11.0 63.1 83 123 A K E S+o 106 0C 67 22,-0.2 73,-3.8 21,-0.2 74,-0.8 -0.944 71.5 176.4-117.0 111.4 35.6 12.7 66.2 84 124 A V E -op 107 157C 0 22,-2.0 24,-1.9 -2,-0.6 2,-0.4 -0.922 19.7-145.2-119.0 140.6 32.2 11.4 67.3 85 125 A L E -op 108 158C 0 72,-2.8 74,-2.3 -2,-0.4 2,-0.5 -0.882 10.5-165.9-106.3 133.4 30.1 12.4 70.4 86 126 A V E -op 109 159C 0 22,-0.6 24,-3.5 -2,-0.4 2,-0.6 -0.964 4.4-170.1-122.2 115.1 27.9 9.8 72.2 87 127 A I E +op 110 160C 7 72,-3.0 74,-2.8 -2,-0.5 24,-0.2 -0.912 67.9 10.6-111.4 119.8 25.3 11.0 74.7 88 128 A G + 0 0 11 22,-1.8 2,-2.6 -2,-0.6 -1,-0.2 0.666 63.8 174.6 95.9 18.6 23.5 8.6 76.9 89 129 A G + 0 0 0 -3,-0.3 -1,-0.2 1,-0.2 22,-0.1 -0.323 2.9 176.0 -60.0 79.8 25.5 5.4 76.4 90 130 A G S S+ 0 0 3 -2,-2.6 -1,-0.2 71,-0.3 -33,-0.1 0.179 78.7 12.5 -74.9 20.6 23.5 3.5 79.0 91 131 A D S S- 0 0 5 36,-0.1 40,-0.2 29,-0.0 -1,-0.2 0.358 91.3-120.1-158.2 -45.2 25.4 0.4 78.2 92 132 A G S > S+ 0 0 0 38,-0.1 4,-1.6 37,-0.1 38,-0.1 0.330 85.1 104.7 105.6 -5.6 28.4 0.9 76.0 93 133 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 78.5 54.0 -74.0 -39.5 27.2 -1.3 73.1 94 134 A V H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 109.6 50.9 -58.9 -36.0 26.4 1.7 71.0 95 135 A L H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 107.6 52.0 -66.1 -40.4 30.0 2.6 71.7 96 136 A R H X S+ 0 0 53 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.897 105.0 55.7 -63.0 -41.6 31.0 -0.9 70.6 97 137 A E H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.884 106.2 52.4 -58.9 -39.6 29.1 -0.4 67.4 98 138 A V H >< S+ 0 0 0 -4,-1.5 3,-3.1 1,-0.2 -2,-0.2 0.950 96.2 65.6 -61.9 -50.1 31.1 2.8 66.7 99 139 A A H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.651 84.2 76.7 -49.6 -17.2 34.5 1.1 67.2 100 140 A R T << S+ 0 0 33 -3,-0.9 2,-0.6 -4,-0.5 -1,-0.3 0.837 79.3 85.1 -62.9 -31.1 33.7 -0.9 64.1 101 141 A H X - 0 0 13 -3,-3.1 3,-1.0 -4,-0.3 160,-0.1 -0.620 66.7-159.6 -78.1 116.1 34.6 2.2 62.1 102 142 A A T 3 S+ 0 0 96 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.844 85.8 62.2 -64.6 -36.9 38.4 2.5 61.4 103 143 A S T 3 S+ 0 0 30 -20,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.635 76.3 116.8 -66.4 -12.9 38.4 6.2 60.8 104 144 A I < + 0 0 5 -3,-1.0 -22,-0.2 -6,-0.2 -21,-0.2 -0.397 37.2 176.6 -62.6 120.6 37.2 7.0 64.3 105 145 A E - 0 0 114 -23,-3.4 2,-0.3 1,-0.3 -22,-0.2 0.907 64.6 -11.9 -89.4 -52.4 39.8 8.9 66.3 106 146 A Q E -o 83 0C 76 -24,-1.7 -22,-2.0 31,-0.0 2,-0.4 -0.992 53.2-153.5-152.5 148.2 38.0 9.5 69.6 107 147 A I E -oq 84 136C 0 28,-1.7 30,-3.0 -2,-0.3 2,-1.1 -0.979 13.9-144.1-122.3 133.0 34.5 9.1 71.0 108 148 A D E -o 85 0C 7 -24,-1.9 2,-0.8 -2,-0.4 -22,-0.6 -0.524 15.9-163.6 -97.9 68.3 33.2 11.3 73.9 109 149 A X E -o 86 0C 0 -2,-1.1 30,-2.0 -24,-0.1 2,-0.8 -0.318 12.7-172.9 -51.0 96.3 31.0 8.7 75.6 110 150 A C E +or 87 139C 2 -24,-3.5 -22,-1.8 -2,-0.8 2,-0.3 -0.820 13.2 161.6-105.1 94.9 29.1 11.2 77.8 111 151 A E E - r 0 140C 17 -2,-0.8 30,-2.4 28,-0.6 3,-0.1 -0.786 24.8-162.7-109.9 155.0 26.9 9.4 80.3 112 152 A I + 0 0 43 -2,-0.3 2,-0.7 28,-0.3 -1,-0.1 0.748 67.8 69.8-109.5 -31.9 25.4 11.0 83.4 113 153 A D > - 0 0 4 1,-0.1 4,-1.5 28,-0.1 3,-0.2 -0.817 53.2-172.1 -98.6 112.5 24.2 8.1 85.7 114 154 A K H > S+ 0 0 105 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.733 80.0 68.0 -74.4 -24.5 27.1 6.2 87.2 115 155 A X H > S+ 0 0 19 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.936 106.4 45.1 -60.0 -41.7 24.9 3.4 88.8 116 156 A V H > S+ 0 0 0 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.994 109.6 50.0 -62.8 -66.8 24.2 2.3 85.2 117 157 A V H X S+ 0 0 3 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.865 117.2 45.0 -40.0 -46.2 27.7 2.5 83.7 118 158 A D H X S+ 0 0 19 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.956 114.3 45.1 -65.0 -54.4 28.8 0.4 86.7 119 159 A V H X S+ 0 0 1 -4,-2.8 4,-1.5 -5,-0.2 5,-0.4 0.779 114.3 52.7 -61.7 -27.2 26.0 -2.1 86.7 120 160 A S H X S+ 0 0 0 -4,-3.3 4,-1.6 -5,-0.2 8,-0.3 0.941 105.8 51.3 -74.1 -48.0 26.4 -2.4 82.9 121 161 A K H < S+ 0 0 97 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.809 114.0 47.1 -58.9 -31.2 30.1 -3.1 83.0 122 162 A Q H < S+ 0 0 61 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 0.992 122.9 22.6 -75.5 -65.0 29.6 -5.9 85.5 123 163 A F H < S+ 0 0 21 -4,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.837 112.8 69.3 -73.7 -38.8 26.7 -8.1 84.3 124 164 A F X - 0 0 0 -4,-1.6 4,-0.9 -5,-0.4 -1,-0.1 -0.774 58.9-179.1 -90.0 119.4 26.8 -7.2 80.5 125 165 A P H >> S+ 0 0 71 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.983 79.1 34.5 -77.3 -78.1 29.9 -8.7 78.8 126 166 A D H 34 S+ 0 0 104 1,-0.3 4,-0.3 2,-0.2 -30,-0.1 0.612 120.9 56.7 -57.0 -11.5 30.0 -7.7 75.1 127 167 A V H >4 S+ 0 0 1 -7,-0.2 3,-0.7 2,-0.1 4,-0.4 0.841 101.5 51.1 -88.8 -39.6 28.4 -4.5 76.3 128 168 A A H < S+ 0 0 83 -4,-1.0 3,-1.3 1,-0.2 4,-0.5 0.897 81.4 64.9 -63.4 -41.8 33.7 -4.0 76.0 130 170 A G G X4 S+ 0 0 2 -3,-0.7 3,-3.4 -4,-0.3 6,-0.2 0.932 93.9 55.4 -45.6 -65.0 33.0 -0.6 74.4 131 171 A Y G 34 S+ 0 0 21 -4,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.758 102.2 64.3 -41.9 -28.8 34.1 1.6 77.3 132 172 A E G << S+ 0 0 136 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.702 72.8 114.1 -72.2 -22.0 37.4 -0.3 77.0 133 173 A D X - 0 0 28 -3,-3.4 3,-0.8 -4,-0.5 -37,-0.0 -0.191 68.0-134.5 -53.2 139.5 38.2 1.0 73.5 134 174 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.911 104.0 57.2 -62.6 -44.8 41.3 3.2 73.5 135 175 A R T 3 S+ 0 0 65 -29,-0.1 -28,-1.7 -31,-0.1 2,-0.2 0.643 89.2 105.8 -62.7 -13.9 39.7 5.9 71.3 136 176 A V B < -q 107 0C 22 -3,-0.8 2,-0.4 -30,-0.2 -28,-0.2 -0.447 50.9-168.2 -76.4 140.5 37.0 6.2 73.9 137 177 A N - 0 0 63 -30,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.789 12.1-164.1-127.7 87.0 36.8 9.2 76.3 138 178 A L + 0 0 54 -2,-0.4 2,-0.3 -7,-0.2 -28,-0.2 -0.464 10.1 177.7 -74.9 141.2 34.2 8.4 79.0 139 179 A V E -r 110 0C 50 -30,-2.0 2,-0.7 -2,-0.2 -28,-0.6 -0.873 21.6-146.3-148.2 109.3 32.9 11.4 81.1 140 180 A I E +r 111 0C 78 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.3 -0.672 57.6 91.7 -79.4 115.6 30.3 11.1 83.9 141 181 A G S S- 0 0 25 -30,-2.4 -2,-0.1 -2,-0.7 -28,-0.1 -0.973 78.6 -48.5 177.3 176.2 28.3 14.3 83.8 142 182 A D > - 0 0 71 -2,-0.3 4,-0.5 1,-0.1 -31,-0.0 -0.253 40.1-151.1 -62.5 153.1 25.3 16.1 82.5 143 183 A G H > S+ 0 0 10 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.864 88.7 50.7 -95.5 -41.9 24.7 15.9 78.8 144 184 A V H > S+ 0 0 23 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.861 114.7 46.7 -65.1 -35.0 22.9 19.1 77.8 145 185 A A H >> S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.916 107.1 58.0 -70.8 -43.3 25.6 21.1 79.7 146 186 A F H 3< S+ 0 0 51 -4,-0.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 108.6 45.9 -54.6 -37.4 28.3 19.1 78.0 147 187 A L H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 -1,-0.3 0.714 110.2 52.8 -81.5 -21.9 27.0 20.2 74.6 148 188 A K H << S+ 0 0 138 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.932 110.9 46.0 -75.6 -48.0 26.6 23.8 75.5 149 189 A N T 3< S+ 0 0 141 -4,-2.5 2,-0.4 -5,-0.1 -1,-0.2 -0.011 94.9 122.4 -83.2 31.3 30.2 24.1 76.8 150 190 A A < - 0 0 11 -3,-0.7 3,-0.1 30,-0.1 -3,-0.1 -0.817 69.5-109.7-101.9 134.5 31.2 22.2 73.6 151 191 A A > - 0 0 67 -2,-0.4 3,-0.7 1,-0.1 2,-0.3 -0.125 42.9-100.3 -53.0 153.8 33.6 23.6 71.0 152 192 A E T 3 S- 0 0 154 1,-0.2 32,-0.3 2,-0.1 -1,-0.1 -0.614 95.8 -3.8 -83.6 139.5 32.1 24.7 67.7 153 193 A G T 3 S+ 0 0 32 30,-2.1 -1,-0.2 32,-0.4 32,-0.2 0.794 92.3 124.6 52.4 34.5 32.3 22.3 64.7 154 194 A S < + 0 0 34 30,-0.7 2,-0.3 -3,-0.7 31,-0.2 0.766 54.6 71.5 -93.0 -26.0 34.4 19.8 66.7 155 195 A Y E - s 0 185C 11 29,-2.4 31,-1.9 -4,-0.3 -71,-0.2 -0.669 54.5-163.1 -97.9 147.0 32.2 16.8 66.1 156 196 A D E S+ 0 0 20 -73,-3.8 34,-1.7 1,-0.3 2,-0.3 0.757 83.0 9.2 -90.1 -32.1 31.6 14.7 63.0 157 197 A A E -ps 84 190C 0 -74,-0.8 -72,-2.8 32,-0.2 2,-0.5 -0.996 59.4-151.4-152.7 145.0 28.5 13.1 64.4 158 198 A V E -ps 85 191C 0 32,-2.6 34,-2.9 -2,-0.3 2,-0.6 -0.972 12.5-172.3-120.2 120.7 26.2 13.4 67.4 159 199 A I E -ps 86 192C 0 -74,-2.3 -72,-3.0 -2,-0.5 2,-0.9 -0.949 6.9-162.2-116.9 114.1 24.4 10.3 68.7 160 200 A V E +ps 87 193C 0 32,-2.5 34,-1.1 -2,-0.6 -72,-0.2 -0.809 11.9 177.1 -98.9 96.7 21.7 10.9 71.4 161 201 A D + 0 0 9 -74,-2.8 -71,-0.3 -2,-0.9 -1,-0.1 0.012 35.7 145.9 -86.6 28.1 21.1 7.5 73.0 162 202 A S - 0 0 7 -75,-0.2 32,-0.1 1,-0.1 -72,-0.0 0.177 46.5-125.8 -56.7 179.7 18.7 9.3 75.4 163 203 A S - 0 0 37 1,-0.3 -1,-0.1 6,-0.1 31,-0.0 0.443 53.2 -44.7 -99.0-121.9 15.5 7.9 76.9 164 204 A D - 0 0 21 31,-0.1 2,-1.8 32,-0.0 3,-0.5 -0.746 51.0-105.0-115.7 162.7 12.1 9.6 76.6 165 205 A P S S+ 0 0 22 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 -0.421 80.4 117.8 -83.5 62.4 11.0 13.2 77.1 166 206 A I S S- 0 0 122 -2,-1.8 0, 0.0 -152,-0.0 0, 0.0 0.894 79.7 -8.7 -94.6 -52.2 9.4 12.5 80.5 167 207 A G S > S- 0 0 37 -3,-0.5 3,-1.4 0, 0.0 4,-0.1 0.226 123.5 -23.2-116.5-123.2 11.3 14.6 83.0 168 208 A P G > S+ 0 0 118 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.536 125.3 71.7 -72.5 -5.7 14.5 16.7 82.7 169 209 A A G > S+ 0 0 31 1,-0.2 3,-0.7 -5,-0.2 -6,-0.1 0.417 70.8 90.4 -88.1 0.6 15.6 14.6 79.7 170 210 A K G X S+ 0 0 89 -3,-1.4 3,-1.5 1,-0.2 4,-0.2 0.701 72.1 72.6 -67.6 -20.1 12.8 16.3 77.7 171 211 A E G X S+ 0 0 94 -3,-0.7 3,-2.7 1,-0.3 6,-0.6 0.917 83.6 65.6 -60.4 -44.2 15.4 18.9 76.7 172 212 A L G < S+ 0 0 17 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.488 106.6 44.4 -58.8 -2.1 17.1 16.4 74.4 173 213 A F G < S+ 0 0 7 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.356 100.9 86.8-121.7 -1.3 14.0 16.6 72.3 174 214 A E S X> S- 0 0 72 -3,-2.7 4,-1.8 -4,-0.2 3,-0.6 -0.518 88.1-105.3 -98.8 169.0 13.4 20.3 72.3 175 215 A K H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.784 113.7 63.5 -63.6 -31.7 14.8 23.1 70.1 176 216 A P H 3> S+ 0 0 102 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.888 108.7 43.3 -63.4 -33.4 17.3 24.4 72.7 177 217 A F H <> S+ 0 0 7 -6,-0.6 4,-2.3 -3,-0.6 3,-0.4 0.936 109.1 53.8 -74.5 -49.2 19.1 21.1 72.5 178 218 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 -7,-0.3 -1,-0.2 0.812 110.8 48.9 -55.9 -30.6 19.0 20.6 68.7 179 219 A Q H X S+ 0 0 100 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.809 110.2 50.5 -77.5 -31.6 20.6 24.0 68.4 180 220 A S H X S+ 0 0 13 -4,-0.9 4,-1.1 -3,-0.4 -2,-0.2 0.786 111.2 51.0 -74.2 -28.2 23.2 23.0 71.0 181 221 A V H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 3,-0.4 0.956 109.1 47.7 -73.3 -51.4 23.7 19.9 68.9 182 222 A A H < S+ 0 0 15 -4,-2.4 3,-0.3 1,-0.2 -29,-0.2 0.857 104.7 61.2 -58.4 -37.1 24.2 21.7 65.6 183 223 A R H < S+ 0 0 85 -4,-1.7 -30,-2.1 1,-0.3 -1,-0.2 0.925 107.2 45.1 -56.8 -44.0 26.6 24.2 67.2 184 224 A A H < S+ 0 0 0 -4,-1.1 -29,-2.4 -3,-0.4 -30,-0.7 0.729 99.3 88.5 -72.4 -22.2 28.9 21.2 68.0 185 225 A L E < S-s 155 0C 8 -4,-1.2 -32,-0.4 -3,-0.3 -29,-0.2 -0.613 76.1-133.0 -82.3 136.0 28.5 19.8 64.5 186 226 A R E > - 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