==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-AUG-01 1JQ3 . COMPND 2 MOLECULE: SPERMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.KOROLEV,Y.IKEGUCHI,T.SKARINA,S.BEASLEY,A.EDWARDS, . 1167 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 79 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 9 5 6 6 0 0 8 0 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 14 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 0 2 4 9 9 0 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 2 2 0 4 0 1 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 2 A R 0 0 95 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.3 4.7 21.8 48.0 2 3 A T > - 0 0 78 1,-0.1 4,-0.9 421,-0.0 3,-0.1 -0.614 360.0-108.4 -98.6 164.4 5.0 22.6 44.3 3 4 A L H >> S+ 0 0 32 1,-0.2 3,-1.1 -2,-0.2 4,-1.1 0.931 115.6 53.9 -56.7 -52.6 8.2 23.2 42.3 4 5 A K H >4 S+ 0 0 175 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.877 103.3 57.1 -52.7 -41.0 7.7 26.9 41.9 5 6 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.793 111.1 43.1 -61.0 -30.7 7.3 27.4 45.7 6 7 A L H << S+ 0 0 40 -3,-1.1 -1,-0.2 -4,-0.9 333,-0.2 0.586 90.5 108.7 -92.2 -14.3 10.7 25.8 46.4 7 8 A E << - 0 0 72 -4,-1.1 2,-0.2 -3,-0.7 331,-0.2 -0.429 44.2-177.9 -70.6 139.4 12.6 27.6 43.6 8 9 A R - 0 0 104 329,-2.8 329,-0.5 -2,-0.1 2,-0.1 -0.676 46.2 -55.5-125.5 176.5 15.2 30.3 44.4 9 10 A E - 0 0 152 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.388 63.3-117.5 -59.7 126.5 17.4 32.5 42.3 10 11 A L - 0 0 7 -2,-0.1 -1,-0.1 325,-0.1 332,-0.0 -0.514 28.3-154.7 -71.8 125.1 19.5 30.3 40.0 11 12 A Q - 0 0 128 -2,-0.3 325,-0.1 325,-0.0 -1,-0.0 -0.872 14.8-119.2-106.7 133.3 23.2 30.5 40.7 12 13 A P + 0 0 55 0, 0.0 2,-0.2 0, 0.0 22,-0.1 -0.252 31.8 176.9 -68.3 147.1 25.9 29.7 38.0 13 14 A R - 0 0 103 20,-0.3 3,-0.2 3,-0.1 20,-0.1 -0.569 44.2 -91.9-131.3-163.5 28.5 27.0 38.5 14 15 A Q S S+ 0 0 86 -2,-0.2 3,-0.0 1,-0.1 301,-0.0 0.168 100.4 81.1-105.7 24.7 31.3 25.6 36.3 15 16 A H S S+ 0 0 4 1,-0.1 300,-2.6 18,-0.1 2,-0.5 0.666 74.8 65.4-104.6 -20.3 29.4 22.8 34.6 16 17 A L E +A 314 0A 1 -3,-0.2 17,-2.4 17,-0.2 2,-0.3 -0.930 61.2 170.5-111.9 128.1 27.3 24.3 31.7 17 18 A W E -AB 313 32A 6 296,-2.8 296,-2.7 -2,-0.5 2,-0.4 -0.958 29.5-150.3-139.8 152.7 29.1 25.8 28.7 18 19 A Y E -AB 312 31A 0 13,-2.3 13,-2.5 -2,-0.3 2,-0.5 -0.970 18.9-164.1-116.7 126.2 28.5 27.1 25.2 19 20 A F E - B 0 30A 10 292,-2.6 2,-0.5 -2,-0.4 11,-0.2 -0.978 1.8-166.8-118.2 120.8 31.4 26.7 22.8 20 21 A E E - B 0 29A 2 9,-3.4 9,-2.1 -2,-0.5 2,-0.4 -0.943 10.2-149.8-108.3 125.1 31.4 28.8 19.6 21 22 A Y E - B 0 28A 58 -2,-0.5 7,-0.2 42,-0.5 2,-0.2 -0.761 9.3-140.0 -95.4 138.4 33.9 27.7 16.9 22 23 A Y > - 0 0 12 5,-2.6 3,-2.7 -2,-0.4 5,-0.3 -0.503 46.5 -66.1 -88.9 164.1 35.4 30.3 14.5 23 24 A T T 3 S+ 0 0 69 1,-0.3 3,-0.3 -2,-0.2 -1,-0.2 -0.264 128.8 28.9 -52.8 125.3 36.0 29.7 10.8 24 25 A G T 3 S- 0 0 44 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.049 104.9-117.3 108.2 -22.9 38.7 27.0 10.5 25 26 A N S < S+ 0 0 93 -3,-2.7 -1,-0.2 2,-0.2 -2,-0.1 0.634 89.2 105.4 63.2 23.4 37.7 25.4 13.9 26 27 A N S S+ 0 0 20 -3,-0.3 882,-2.7 1,-0.2 2,-0.3 0.535 82.6 27.7-105.7 -10.7 41.1 26.1 15.5 27 28 A V E + C 0 907A 1 -5,-0.3 -5,-2.6 880,-0.2 2,-0.3 -0.978 69.4 149.4-146.7 152.4 40.0 29.0 17.7 28 29 A G E -BC 21 906A 0 878,-2.1 878,-2.4 -2,-0.3 2,-0.3 -0.971 38.0 -97.6-168.9-178.0 36.7 29.9 19.4 29 30 A L E -BC 20 905A 5 -9,-2.1 -9,-3.4 -2,-0.3 2,-0.4 -0.892 26.1-160.3-116.5 143.3 34.9 31.5 22.3 30 31 A F E -BC 19 904A 1 874,-2.7 874,-2.0 -2,-0.3 2,-0.4 -0.960 5.7-169.6-124.3 146.1 33.4 29.8 25.3 31 32 A M E -BC 18 903A 0 -13,-2.5 -13,-2.3 -2,-0.4 872,-0.2 -0.999 23.2-124.1-136.6 135.4 30.7 31.1 27.7 32 33 A K E -B 17 0A 27 870,-2.9 2,-0.5 -2,-0.4 -15,-0.2 -0.478 27.3-145.7 -72.0 142.3 29.3 29.9 31.0 33 34 A M - 0 0 2 -17,-2.4 -20,-0.3 1,-0.1 19,-0.2 -0.961 20.7-176.4-116.1 121.2 25.6 29.3 30.9 34 35 A N S S- 0 0 5 17,-3.1 2,-0.3 -2,-0.5 -1,-0.1 0.837 79.0 -17.7 -78.7 -33.9 23.5 30.0 34.0 35 36 A R E -I 51 0B 74 16,-0.9 16,-3.0 -19,-0.0 2,-0.6 -0.971 60.5-120.9-164.7 156.3 20.5 28.7 32.2 36 37 A V E -I 50 0B 26 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.941 21.9-172.0-105.2 122.4 19.2 28.0 28.8 37 38 A I E - 0 0 53 12,-2.0 2,-0.3 -2,-0.6 13,-0.2 0.849 66.9 -3.4 -82.3 -37.6 16.1 30.0 28.0 38 39 A Y E -I 49 0B 18 11,-2.1 11,-2.9 2,-0.0 2,-0.4 -0.966 49.4-174.7-161.5 139.6 15.1 28.4 24.7 39 40 A S E +I 48 0B 15 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 24.5 162.7-135.5 121.6 16.3 25.8 22.2 40 41 A G E -I 47 0B 4 7,-2.6 7,-3.5 -2,-0.4 2,-0.4 -0.982 27.0-148.2-143.1 156.9 14.4 25.4 19.0 41 42 A Q E -I 46 0B 26 263,-0.5 263,-2.4 -2,-0.3 5,-0.2 -0.989 15.0-177.0-129.0 122.8 14.8 23.9 15.5 42 43 A S - 0 0 6 3,-2.6 261,-0.1 -2,-0.4 262,-0.0 -0.426 49.4 -92.5-102.4-174.0 13.2 25.3 12.4 43 44 A D S S+ 0 0 122 259,-0.2 3,-0.1 -2,-0.2 260,-0.1 0.648 126.1 40.3 -73.5 -11.5 13.4 23.9 8.9 44 45 A I S S- 0 0 52 1,-0.3 2,-0.3 133,-0.0 -1,-0.1 0.847 121.5 -23.8-105.6 -42.2 16.4 26.2 8.4 45 46 A Q - 0 0 8 131,-0.1 -3,-2.6 130,-0.0 2,-0.4 -0.958 61.4 -87.2-163.1 176.6 18.6 26.3 11.5 46 47 A R E -I 41 0B 0 -2,-0.3 16,-2.3 -5,-0.2 2,-0.4 -0.819 31.6-157.0-103.5 133.2 18.9 25.8 15.3 47 48 A I E +IJ 40 61B 0 -7,-3.5 -7,-2.6 -2,-0.4 2,-0.4 -0.915 12.2 177.6-109.5 132.3 18.2 28.6 17.7 48 49 A D E -IJ 39 60B 1 12,-2.3 12,-2.8 -2,-0.4 2,-0.4 -0.998 3.7-177.6-133.6 132.3 19.6 28.7 21.3 49 50 A I E +IJ 38 59B 0 -11,-2.9 -11,-2.1 -2,-0.4 -12,-2.0 -0.999 18.3 156.7-129.9 126.6 19.0 31.5 23.7 50 51 A F E -IJ 36 58B 1 8,-2.4 8,-3.3 -2,-0.4 2,-0.5 -0.882 38.3-105.3-144.5 174.5 20.7 31.4 27.1 51 52 A E E -IJ 35 57B 51 -16,-3.0 -17,-3.1 -2,-0.3 -16,-0.9 -0.918 23.9-171.8-113.7 126.3 21.9 33.4 30.0 52 53 A N E > - J 0 56B 1 4,-2.8 4,-2.4 -2,-0.5 -19,-0.1 -0.955 28.8-128.1-112.5 136.2 25.6 34.3 30.7 53 54 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.821 106.5 27.5 -52.6 -37.8 26.5 36.0 34.0 54 55 A D T 4 S+ 0 0 63 2,-0.1 849,-0.0 848,-0.1 846,-0.0 0.828 126.9 40.2 -95.2 -35.7 28.5 38.8 32.3 55 56 A L T 4 S- 0 0 1 1,-0.3 15,-1.9 847,-0.1 14,-0.4 0.616 90.8-147.7 -91.0 -11.1 26.8 39.1 28.9 56 57 A G E < +J 52 0B 20 -4,-2.4 -4,-2.8 13,-0.2 2,-0.3 -0.603 65.1 9.7 80.0-144.4 23.2 38.7 29.9 57 58 A V E S-J 51 0B 35 -2,-0.2 12,-1.9 -6,-0.2 2,-0.4 -0.556 72.6-163.5 -73.7 129.6 20.9 37.0 27.4 58 59 A V E -JK 50 68B 0 -8,-3.3 -8,-2.4 -2,-0.3 2,-0.5 -0.958 5.2-159.7-119.4 135.5 22.8 35.4 24.4 59 60 A F E +JK 49 67B 3 8,-2.6 7,-3.1 -2,-0.4 8,-1.7 -0.953 14.2 179.6-117.7 127.9 21.2 34.4 21.1 60 61 A A E -JK 48 65B 0 -12,-2.8 -12,-2.3 -2,-0.5 2,-0.5 -0.974 18.1-156.3-131.9 144.5 23.0 31.9 18.9 61 62 A L E > S-JK 47 64B 12 3,-2.5 3,-0.9 -2,-0.3 -14,-0.2 -0.989 84.1 -15.2-121.8 123.5 22.1 30.3 15.5 62 63 A D T 3 S- 0 0 27 -16,-2.3 -1,-0.2 -2,-0.5 -15,-0.1 0.849 130.3 -52.8 51.3 40.9 23.8 27.0 14.7 63 64 A G T 3 S+ 0 0 8 -17,-0.3 -42,-0.5 1,-0.2 2,-0.4 0.789 113.2 119.6 70.6 24.0 26.3 27.5 17.5 64 65 A I E < -K 61 0B 38 -3,-0.9 -3,-2.5 -44,-0.1 2,-0.3 -0.996 69.4-115.1-124.3 126.0 27.3 30.9 16.2 65 66 A T E +K 60 0B 2 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.433 37.3 169.3 -62.7 123.1 26.8 34.0 18.5 66 67 A M E - 0 0 22 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.835 62.6 -7.1-100.8 -50.2 24.3 36.4 17.0 67 68 A T E -K 59 0B 8 -8,-1.7 -8,-2.6 8,-0.0 -1,-0.4 -0.990 48.8-163.5-147.4 154.1 23.6 38.9 19.8 68 69 A T E >> -K 58 0B 0 -2,-0.3 4,-2.0 -10,-0.2 3,-0.5 -0.982 28.6-128.2-135.5 141.4 24.4 39.4 23.5 69 70 A E T 34 S+ 0 0 87 -12,-1.9 4,-0.2 -14,-0.4 -13,-0.2 0.851 104.9 58.0 -55.9 -36.0 22.4 41.8 25.7 70 71 A K T 34 S+ 0 0 90 -15,-1.9 -1,-0.2 1,-0.2 -14,-0.1 0.827 124.5 9.7 -70.3 -29.1 25.6 43.5 26.9 71 72 A D T X> S+ 0 0 0 -3,-0.5 3,-1.9 -16,-0.2 4,-0.6 0.418 83.0 109.4-136.0 4.4 27.0 44.6 23.5 72 73 A E H >X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.3 3,-0.6 0.792 74.0 72.7 -55.2 -25.8 24.6 44.2 20.6 73 74 A F H 3> S+ 0 0 12 -4,-0.2 4,-2.4 1,-0.2 5,-0.3 0.830 88.3 62.1 -58.0 -29.5 24.3 48.0 20.4 74 75 A M H <> S+ 0 0 1 -3,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.907 111.1 36.3 -63.2 -43.8 27.8 48.2 19.0 75 76 A Y H S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.909 118.2 56.2 -69.1 -39.2 23.7 54.8 6.0 84 85 A M H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.897 111.0 42.5 -59.2 -44.1 20.7 56.3 7.8 85 86 A F H < S+ 0 0 7 -4,-2.4 174,-0.3 1,-0.2 -1,-0.2 0.817 112.2 55.4 -73.6 -28.7 22.5 59.6 8.7 86 87 A L H < S+ 0 0 6 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.752 88.6 89.4 -74.5 -26.4 24.1 59.8 5.3 87 88 A H S < S- 0 0 3 -4,-1.6 111,-0.1 1,-0.1 78,-0.0 -0.557 78.7-134.4 -74.5 137.4 20.8 59.6 3.4 88 89 A P S S- 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.827 91.3 -8.2 -57.8 -37.3 19.2 63.1 2.8 89 90 A N S S- 0 0 84 75,-0.1 2,-0.8 23,-0.0 -4,-0.1 -0.471 72.8-160.3-165.6 79.8 15.7 62.0 3.9 90 91 A P + 0 0 6 0, 0.0 3,-0.1 0, 0.0 73,-0.0 -0.568 28.5 150.5 -74.7 107.9 15.3 58.2 4.5 91 92 A K + 0 0 70 -2,-0.8 23,-2.9 1,-0.3 24,-2.4 0.801 62.5 40.8-103.7 -41.7 11.6 57.3 4.4 92 93 A K E -l 115 0C 59 22,-0.2 72,-2.8 21,-0.2 73,-1.4 -0.958 69.1-179.7-116.4 120.2 11.4 53.7 3.1 93 94 A V E -lm 116 165C 0 22,-2.8 24,-3.1 -2,-0.5 2,-0.5 -0.902 15.0-161.0-123.3 143.6 13.9 51.2 4.4 94 95 A L E -lm 117 166C 0 71,-2.4 73,-2.6 -2,-0.4 2,-0.5 -0.990 6.1-169.2-123.4 124.2 14.5 47.5 3.7 95 96 A I E -lm 118 167C 0 22,-3.2 24,-3.0 -2,-0.5 2,-0.5 -0.962 8.0-156.2-113.7 126.3 16.5 45.4 6.2 96 97 A I E -lm 119 168C 1 71,-3.0 73,-3.3 -2,-0.5 2,-0.3 -0.916 67.1 -7.4-105.9 123.9 17.4 41.9 5.0 97 98 A G E S+ m 0 169C 10 22,-2.8 73,-0.2 -2,-0.5 -2,-0.1 -0.754 76.4 121.3 94.9-143.3 18.1 39.4 7.8 98 99 A G > + 0 0 4 71,-2.3 3,-2.3 -2,-0.3 6,-0.3 0.802 24.7 166.6 51.9 43.6 18.1 40.8 11.4 99 100 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.1 70,-0.2 30,-0.1 0.731 71.2 68.5 -59.2 -23.0 15.4 38.6 12.8 100 101 A D T 3 S- 0 0 13 1,-0.1 -1,-0.3 29,-0.1 36,-0.1 0.719 104.5-132.2 -66.5 -24.1 16.5 39.6 16.3 101 102 A G <> + 0 0 0 -3,-2.3 4,-2.6 36,-0.1 38,-0.2 0.351 68.3 124.1 90.4 -3.5 15.2 43.1 15.4 102 103 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 76.7 45.1 -55.9 -46.1 18.2 45.2 16.5 103 104 A T H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 112.2 53.0 -65.9 -41.3 18.8 46.9 13.2 104 105 A L H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.928 106.4 54.3 -59.1 -43.2 15.1 47.6 12.9 105 106 A R H < S+ 0 0 32 -4,-2.6 4,-0.4 31,-0.4 -1,-0.2 0.913 111.8 43.5 -58.3 -44.2 15.2 49.2 16.3 106 107 A E H >< S+ 0 0 1 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.898 112.4 51.5 -69.3 -43.6 18.0 51.6 15.3 107 108 A V H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 6,-0.2 0.919 104.7 58.5 -58.6 -42.2 16.5 52.4 11.9 108 109 A L T 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.634 88.0 74.6 -64.9 -14.8 13.2 53.3 13.7 109 110 A K T < S+ 0 0 31 -3,-1.1 2,-0.7 -4,-0.4 -1,-0.3 0.734 77.8 90.7 -68.5 -21.9 15.0 55.9 15.8 110 111 A H X - 0 0 11 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.0 -0.688 69.9-153.4 -81.7 113.4 15.0 58.1 12.7 111 112 A D T 3 S+ 0 0 108 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.727 89.0 67.2 -59.0 -25.4 11.9 60.3 12.5 112 113 A S T 3 S+ 0 0 35 2,-0.0 -1,-0.3 -20,-0.0 2,-0.1 0.783 76.8 107.3 -69.0 -23.9 12.0 60.5 8.7 113 114 A V < + 0 0 3 -3,-1.5 -22,-0.2 -6,-0.2 -21,-0.2 -0.326 34.3 165.6 -62.3 125.6 11.2 56.8 8.4 114 115 A E S S+ 0 0 124 -23,-2.9 2,-0.3 1,-0.3 -22,-0.2 0.650 71.5 20.9-108.0 -30.7 7.7 56.1 7.3 115 116 A K E -l 92 0C 79 -24,-2.4 -22,-2.8 2,-0.0 2,-0.5 -0.961 58.5-178.1-146.6 123.2 8.1 52.4 6.4 116 117 A A E -ln 93 145C 0 28,-2.5 30,-2.6 -2,-0.3 2,-0.5 -0.983 12.5-160.0-121.9 118.1 10.7 49.9 7.6 117 118 A I E -ln 94 146C 10 -24,-3.1 -22,-3.2 -2,-0.5 2,-0.7 -0.875 2.1-160.6-102.4 127.6 10.5 46.4 6.1 118 119 A L E -ln 95 147C 1 28,-2.8 30,-3.3 -2,-0.5 2,-0.8 -0.937 6.6-168.1-107.9 110.8 12.2 43.5 8.0 119 120 A C E +ln 96 148C 1 -24,-3.0 -22,-2.8 -2,-0.7 2,-0.4 -0.840 13.9 170.4-105.8 96.2 12.8 40.6 5.6 120 121 A E E - n 0 149C 14 28,-1.9 30,-1.3 -2,-0.8 31,-0.1 -0.895 28.6-150.1-108.4 135.8 13.8 37.6 7.7 121 122 A V S S+ 0 0 36 -2,-0.4 2,-0.7 28,-0.2 30,-0.1 0.830 81.5 62.7 -75.7 -28.5 14.0 34.1 6.1 122 123 A D >> - 0 0 8 1,-0.2 4,-1.4 28,-0.1 3,-1.1 -0.831 58.2-167.8-109.1 108.8 13.2 32.2 9.3 123 124 A G H 3> S+ 0 0 13 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.782 90.0 60.9 -58.9 -32.3 9.8 32.7 10.9 124 125 A L H 3> S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.816 99.9 55.5 -66.6 -29.5 11.0 30.8 14.0 125 126 A V H <> S+ 0 0 3 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.944 108.6 47.7 -67.7 -43.4 13.7 33.5 14.5 126 127 A I H X S+ 0 0 5 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.925 114.4 46.5 -61.0 -45.2 11.0 36.2 14.5 127 128 A E H X S+ 0 0 46 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.900 114.4 46.7 -65.7 -40.2 8.8 34.3 16.9 128 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.5 0.899 113.2 49.0 -69.8 -37.9 11.7 33.5 19.3 129 130 A A 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