==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 14-AUG-08 3E5Q . COMPND 2 MOLECULE: CYCLIC NUCLEOTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR C.LEVY . 1213 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 925 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 21.7 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 . 6 0.5 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 . 8 0.7 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 . 122 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 0 2 4 4 5 0 4 1 3 3 3 1 0 1 0 1 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 15 10 11 10 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 13 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 18 A N 0 0 91 0, 0.0 59,-0.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 73.3 -8.0 11.4 0.9 2 19 A F - 0 0 75 59,-0.1 60,-0.3 61,-0.1 3,-0.1 -0.094 360.0-139.8 -86.6 32.9 -6.2 10.5 -2.2 3 20 A F - 0 0 39 62,-0.1 63,-0.5 1,-0.1 113,-0.1 0.500 27.2-155.5 17.9 63.9 -3.1 10.8 0.1 4 21 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 61,-0.3 -0.361 20.0-158.6 -76.3 153.1 -1.2 12.4 -2.7 5 22 A I > + 0 0 4 59,-2.9 3,-1.2 1,-0.1 4,-0.2 -0.679 14.0 176.6-132.3 73.5 2.6 12.3 -2.8 6 23 A E G > + 0 0 104 -2,-0.3 3,-2.5 1,-0.3 4,-0.4 0.726 69.2 75.2 -52.1 -31.0 3.4 15.2 -5.0 7 24 A K G > S+ 0 0 28 1,-0.3 3,-3.0 2,-0.2 -1,-0.3 0.932 85.1 66.9 -51.7 -48.5 7.2 14.7 -4.5 8 25 A L G X S+ 0 0 1 -3,-1.2 3,-1.5 1,-0.3 4,-0.3 0.617 80.8 78.3 -46.4 -15.3 6.9 11.7 -6.9 9 26 A R G X S+ 0 0 97 -3,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.906 83.2 66.7 -68.1 -31.4 6.1 14.1 -9.7 10 27 A N G < S+ 0 0 120 -3,-3.0 -1,-0.3 -4,-0.4 -2,-0.2 0.621 104.7 39.7 -60.1 -17.2 9.8 14.8 -9.8 11 28 A Y G X> + 0 0 34 -3,-1.5 3,-2.4 -4,-0.2 4,-0.6 0.324 64.5 123.0-123.2 21.3 10.8 11.4 -11.1 12 29 A T T <4 S+ 0 0 26 -3,-1.0 3,-0.2 -4,-0.3 77,-0.1 0.611 71.6 69.7 -54.0 -12.3 8.2 10.1 -13.7 13 30 A Q T 34 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.808 92.1 54.9 -81.9 -28.9 11.1 9.7 -16.1 14 31 A M T <4 S+ 0 0 67 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.712 111.3 67.2 -70.8 -18.9 12.5 6.8 -14.1 15 32 A G S < S- 0 0 15 -4,-0.6 2,-0.5 -3,-0.2 75,-0.2 0.029 90.2-104.3 -89.7-163.7 9.0 5.4 -14.7 16 33 A L B -A 89 0A 35 73,-0.6 73,-2.5 818,-0.1 2,-0.6 -0.995 28.8-139.8-134.1 112.5 6.8 4.2 -17.4 17 34 A I + 0 0 12 -2,-0.5 2,-0.5 71,-0.3 817,-0.3 -0.747 23.2 179.4 -86.8 120.1 4.1 6.5 -18.6 18 35 A R - 0 0 22 -2,-0.6 69,-1.3 69,-0.3 815,-0.2 -0.955 12.5-154.1-122.9 114.9 0.8 4.6 -19.4 19 36 A D E -C 86 0B 24 813,-2.9 2,-0.4 -2,-0.5 67,-0.2 -0.595 6.6-164.6 -92.1 151.4 -2.2 6.7 -20.6 20 37 A F E -C 85 0B 9 65,-1.7 65,-0.8 -2,-0.2 4,-0.1 -0.829 11.4-141.9-147.3 92.1 -5.7 5.5 -20.1 21 38 A A > - 0 0 43 -2,-0.4 3,-1.6 63,-0.2 60,-0.3 -0.198 47.3 -73.9 -64.8 155.0 -8.7 6.9 -21.9 22 39 A K T 3 S+ 0 0 162 1,-0.2 60,-0.2 58,-0.1 61,-0.1 0.081 118.5 20.5 -44.9 148.1 -11.9 7.3 -19.9 23 40 A G T 3 S+ 0 0 57 58,-2.3 -1,-0.2 59,-0.3 2,-0.2 0.278 96.2 134.2 80.5 -7.8 -13.9 4.1 -19.0 24 41 A S < - 0 0 54 -3,-1.6 57,-1.8 57,-0.3 2,-0.9 -0.514 65.7-107.7 -90.3 134.5 -10.7 2.1 -19.6 25 42 A A E +E 80 0C 33 -2,-0.2 3,-0.3 55,-0.2 55,-0.3 -0.440 36.2 172.0 -68.2 100.3 -9.5 -0.7 -17.3 26 43 A V E S+ 0 0 0 53,-1.0 2,-0.5 -2,-0.9 54,-0.2 0.818 85.3 29.4 -70.5 -38.4 -6.3 0.7 -15.5 27 44 A I E S-E 79 0C 7 52,-3.0 52,-0.5 -3,-0.1 -1,-0.3 -0.876 83.1-152.7-121.4 108.8 -6.5 -2.5 -13.5 28 45 A M > - 0 0 97 -2,-0.5 3,-1.0 -3,-0.3 2,-0.5 -0.263 38.0 -92.9 -63.7 162.3 -8.0 -5.5 -15.1 29 46 A P T 3 S- 0 0 69 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.690 108.1 -2.0 -83.2 128.0 -9.5 -7.9 -12.7 30 47 A G T 3 S+ 0 0 67 47,-0.5 2,-0.4 -2,-0.5 48,-0.1 0.708 97.1 135.8 59.2 18.8 -7.0 -10.6 -11.6 31 48 A E < - 0 0 68 -3,-1.0 2,-0.6 46,-0.4 -1,-0.3 -0.793 62.3-114.7 -85.6 144.7 -4.5 -9.0 -13.9 32 49 A E - 0 0 155 -2,-0.4 2,-0.6 -3,-0.1 -4,-0.0 -0.708 27.0-159.4 -96.5 120.2 -1.3 -8.9 -11.9 33 50 A I + 0 0 7 -2,-0.6 38,-0.1 38,-0.1 2,-0.1 -0.823 19.7 166.2-103.1 121.2 0.2 -5.5 -10.9 34 51 A T + 0 0 71 -2,-0.6 58,-0.3 36,-0.1 36,-0.3 -0.548 57.0 69.3-129.5 63.9 3.9 -5.3 -10.0 35 52 A S B S-H 69 0D 12 34,-1.3 34,-0.9 56,-0.2 56,-0.3 -0.765 83.3-110.7-167.7 132.1 4.4 -1.6 -10.1 36 53 A M E -B 90 0A 3 54,-2.5 54,-3.3 32,-0.3 2,-0.5 -0.501 36.7-140.9 -46.3 129.3 3.3 1.3 -8.0 37 54 A I E -B 89 0A 0 30,-0.4 30,-1.7 52,-0.2 2,-0.5 -0.910 13.1-157.8 -97.0 132.6 0.9 3.2 -10.3 38 55 A F B -I 66 0E 0 50,-2.3 2,-1.6 -2,-0.5 28,-0.2 -0.934 10.8-140.7-114.4 114.6 1.4 7.0 -9.9 39 56 A L + 0 0 0 26,-2.4 25,-3.0 -2,-0.5 26,-0.4 -0.514 26.8 170.6 -78.8 90.5 -1.6 9.2 -10.9 40 57 A V S S- 0 0 17 -2,-1.6 2,-0.2 46,-1.1 47,-0.2 0.436 74.3 -5.5 -80.6 -1.9 -0.1 12.2 -12.7 41 58 A E B S+D 86 0B 73 45,-1.2 45,-3.3 21,-0.1 2,-0.3 -0.595 108.4 35.6-179.2 135.0 -3.6 13.5 -14.0 42 59 A G - 0 0 14 43,-0.3 2,-0.3 -2,-0.2 43,-0.2 -0.807 69.5 -86.4 119.0-159.6 -7.0 11.9 -13.7 43 60 A K - 0 0 56 40,-0.4 39,-2.9 -2,-0.3 40,-0.8 -0.926 26.0-166.8-166.7 118.0 -9.1 9.9 -11.4 44 61 A I E -FG 61 81C 0 17,-1.4 17,-0.9 -2,-0.3 2,-0.6 -0.916 13.9-149.4-118.6 139.3 -9.7 6.2 -10.8 45 62 A K E -FG 60 80C 11 35,-1.7 35,-1.5 -2,-0.4 2,-0.5 -0.936 19.4-156.5 -91.7 124.3 -12.3 4.2 -9.0 46 63 A L E -FG 59 79C 4 13,-2.1 12,-1.6 -2,-0.6 13,-0.9 -0.902 14.3-177.2 -93.1 135.1 -10.7 1.1 -7.6 47 64 A D E -FG 57 78C 31 31,-0.8 31,-2.1 -2,-0.5 10,-0.2 -0.836 10.4-147.2-117.1 161.1 -13.2 -1.7 -6.9 48 65 A I E -F 56 0C 3 8,-3.1 8,-0.6 -2,-0.3 2,-0.4 -0.644 4.1-139.9-114.6 179.2 -12.5 -5.1 -5.4 49 66 A I E -F 55 0C 28 27,-0.5 27,-0.4 -2,-0.2 2,-0.2 -0.986 14.4-138.5-135.1 131.6 -14.0 -8.6 -5.9 50 67 A F E > -F 54 0C 59 4,-1.7 4,-1.1 -2,-0.4 3,-0.2 -0.621 41.3 -99.4 -88.3 155.5 -14.6 -10.9 -3.1 51 68 A E T 4 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 24,-0.0 0.315 125.7 66.2 -62.7 10.4 -13.6 -14.5 -3.9 52 69 A D T 4 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 -0.520 123.8-101.0-131.1 43.2 -17.4 -14.8 -4.6 53 70 A G T 4 S+ 0 0 69 -3,-0.2 2,-0.3 1,-0.1 -2,-0.2 0.685 74.6 149.8 30.8 34.4 -17.4 -12.4 -7.5 54 71 A S E < -F 50 0C 51 -4,-1.1 -4,-1.7 2,-0.0 2,-0.3 -0.674 32.2-151.9 -91.3 147.8 -18.8 -9.8 -5.3 55 72 A E E +F 49 0C 104 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.949 26.1 146.4-125.8 150.7 -18.0 -6.2 -6.1 56 73 A K E -F 48 0C 51 -8,-0.6 -8,-3.1 -2,-0.3 2,-0.5 -0.906 50.6 -84.6-175.0 152.4 -17.6 -2.9 -3.9 57 74 A L E -F 47 0C 84 -10,-0.2 -10,-0.3 -2,-0.2 3,-0.1 -0.586 27.7-171.3 -92.6 121.1 -15.4 0.2 -4.1 58 75 A L E - 0 0 12 -12,-1.6 2,-0.3 -2,-0.5 -11,-0.2 0.888 59.3 -53.1 -77.6 -50.5 -11.9 0.2 -2.6 59 76 A Y E -F 46 0C 50 -13,-0.9 -13,-2.1 -15,-0.0 -1,-0.2 -0.944 47.4-103.4-159.6 179.4 -10.9 3.9 -2.8 60 77 A Y E -F 45 0C 107 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.584 27.2-152.9 -97.7 177.4 -10.7 6.7 -5.1 61 78 A A E +F 44 0C 1 -17,-0.9 -17,-1.4 -2,-0.2 2,-0.2 -0.953 19.5 172.6-147.7 144.4 -7.4 7.9 -6.6 62 79 A G > - 0 0 1 -2,-0.3 3,-1.7 -60,-0.3 -23,-0.2 -0.514 45.7 -28.8-136.5-164.8 -6.8 11.4 -7.6 63 80 A G T 3 S+ 0 0 46 1,-0.3 -23,-0.2 -2,-0.2 -1,-0.2 -0.378 129.7 4.7 -56.3 126.9 -4.1 13.8 -8.8 64 81 A N T 3 S+ 0 0 20 -25,-3.0 -59,-2.9 1,-0.2 2,-0.3 0.721 92.8 141.3 65.4 28.1 -0.8 12.6 -7.3 65 82 A S < - 0 0 6 -3,-1.7 -26,-2.4 -26,-0.4 2,-0.5 -0.684 44.9-140.9 -91.2 150.0 -2.0 9.4 -5.6 66 83 A L B +I 38 0E 2 -63,-0.5 -28,-0.2 -2,-0.3 2,-0.1 -0.968 33.2 157.1-106.8 111.4 0.0 6.3 -5.5 67 84 A I + 0 0 4 -30,-1.7 -30,-0.4 -2,-0.5 -6,-0.0 0.020 35.9 73.4-100.2-143.5 -2.2 3.1 -6.0 68 85 A G - 0 0 12 -32,-0.3 2,-0.3 -2,-0.1 -32,-0.3 0.270 63.0-123.5 54.6 174.2 -0.6 -0.1 -7.3 69 86 A K B -H 35 0D 35 -34,-0.9 -34,-1.3 1,-0.0 -1,-0.1 -0.971 11.9-139.7-158.4 147.0 1.8 -2.7 -5.6 70 87 A L S S+ 0 0 8 -2,-0.3 22,-0.1 -36,-0.3 -36,-0.1 0.424 86.0 29.8 -81.9 -2.0 5.1 -4.4 -6.0 71 88 A Y S S- 0 0 45 -38,-0.1 -38,-0.1 1,-0.1 -36,-0.1 -0.857 93.5 -74.1-147.2 165.5 3.9 -7.8 -4.9 72 89 A P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 246,-0.1 -0.232 43.0 175.5 -47.2 155.3 1.0 -10.3 -4.8 73 90 A T - 0 0 37 2,-0.2 3,-0.1 -4,-0.1 249,-0.0 0.431 41.5-117.4-153.8 6.9 -1.6 -9.3 -2.1 74 91 A G S S+ 0 0 71 1,-0.2 2,-0.3 247,-0.0 0, 0.0 0.930 76.9 115.6 45.5 56.4 -4.6 -11.6 -2.1 75 92 A N - 0 0 31 -25,-0.0 2,-0.8 2,-0.0 -1,-0.2 -0.944 63.1-130.8-140.9 151.6 -7.0 -8.7 -3.1 76 93 A N - 0 0 45 -27,-0.4 -27,-0.5 -2,-0.3 2,-0.2 -0.789 29.1-172.8-113.7 100.5 -9.0 -8.4 -6.2 77 94 A I + 0 0 15 -2,-0.8 -47,-0.5 -29,-0.2 -46,-0.4 -0.602 16.9 177.8-101.2 142.7 -8.7 -5.0 -7.8 78 95 A Y E - G 0 47C 78 -31,-2.1 -31,-0.8 -2,-0.2 2,-0.4 -0.779 13.4-178.5-138.1 91.3 -10.5 -3.4 -10.8 79 96 A A E -EG 27 46C 0 -52,-0.5 -52,-3.0 -2,-0.3 -53,-1.0 -0.802 5.0-179.5-101.1 142.0 -9.5 0.1 -11.6 80 97 A T E -EG 25 45C 29 -35,-1.5 -35,-1.7 -2,-0.4 2,-0.5 -0.998 33.2-116.8-129.9 132.4 -11.0 2.1 -14.4 81 98 A A E - G 0 44C 0 -57,-1.8 -58,-2.3 -2,-0.4 -57,-0.3 -0.558 24.4-171.2 -62.6 112.4 -10.0 5.8 -15.3 82 99 A M S S+ 0 0 58 -39,-2.9 -59,-0.3 -2,-0.5 -1,-0.2 0.978 80.7 25.3 -63.4 -64.3 -13.2 7.7 -14.6 83 100 A E S S- 0 0 99 -40,-0.8 -40,-0.4 -61,-0.1 2,-0.3 -0.448 112.2 -81.6 -90.1 172.3 -11.6 10.7 -16.2 84 101 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -63,-0.2 -0.603 63.7-169.8 -76.6 140.5 -8.7 10.5 -18.9 85 102 A T E -C 20 0B 6 -65,-0.8 -65,-1.7 -2,-0.3 2,-0.6 -0.962 28.8-140.1-149.3 135.2 -5.8 10.0 -16.7 86 103 A R E +CD 19 41B 99 -45,-3.3 -45,-1.2 -2,-0.4 -46,-1.1 -0.963 29.4 177.2-102.6 123.6 -2.0 10.0 -17.0 87 104 A T - 0 0 0 -69,-1.3 -69,-0.3 -2,-0.6 2,-0.3 -0.515 16.1-157.1-108.3-174.1 -0.3 7.3 -14.9 88 105 A C - 0 0 0 -71,-0.3 -50,-2.3 -2,-0.2 2,-0.5 -0.874 19.0-131.9-168.9 130.0 3.4 6.3 -14.6 89 106 A W E -AB 16 37A 29 -73,-2.5 2,-0.7 -2,-0.3 -73,-0.6 -0.788 10.0-157.7-112.5 129.6 4.4 2.9 -13.4 90 107 A F E - B 0 36A 0 -54,-3.3 -54,-2.5 -2,-0.5 2,-0.1 -0.827 10.2-176.8-113.5 86.3 7.0 2.0 -10.8 91 108 A S > - 0 0 36 -2,-0.7 4,-2.6 -56,-0.3 5,-0.2 -0.236 41.8-111.0 -44.4 159.8 8.5 -1.4 -11.0 92 109 A E H > S+ 0 0 58 -58,-0.3 4,-4.7 2,-0.2 5,-0.4 0.983 118.3 58.3 -70.1 -58.3 10.8 -2.2 -8.3 93 110 A K H > S+ 0 0 68 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.787 113.7 45.1 -42.1 -33.6 13.9 -2.1 -10.6 94 111 A S H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.912 111.6 44.7 -82.3 -45.4 12.7 1.4 -11.3 95 112 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 -2,-0.2 0.888 110.7 60.6 -59.8 -31.5 11.9 2.6 -7.8 96 113 A R H X S+ 0 0 31 -4,-4.7 4,-0.7 1,-0.3 -1,-0.2 0.870 105.6 46.4 -66.9 -34.4 15.3 1.0 -7.1 97 114 A T H >X S+ 0 0 60 -4,-0.8 4,-1.9 -5,-0.4 3,-0.8 0.939 111.4 50.5 -59.1 -50.4 16.6 3.4 -9.5 98 115 A V H 3X S+ 0 0 1 -4,-2.3 4,-3.9 1,-0.3 -2,-0.2 0.913 104.6 56.6 -60.7 -46.6 14.8 6.4 -7.9 99 116 A F H 3< S+ 0 0 6 -4,-3.5 -1,-0.3 2,-0.2 7,-0.2 0.731 111.0 45.0 -60.6 -27.4 16.0 5.6 -4.4 100 117 A R H << S+ 0 0 157 -3,-0.8 3,-0.5 -4,-0.7 -2,-0.2 0.941 115.4 43.7 -75.5 -66.5 19.7 5.8 -5.6 101 118 A T H < S+ 0 0 89 -4,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.955 140.3 14.4 -32.5 -50.4 19.3 8.9 -7.6 102 119 A D >< + 0 0 33 -4,-3.9 3,-0.5 -5,-0.4 4,-0.4 -0.666 58.1 179.6-147.9 99.2 17.4 9.9 -4.5 103 120 A E T > S+ 0 0 43 -3,-0.5 3,-0.8 -2,-0.3 -1,-0.1 0.694 78.9 71.6 -75.0 -17.6 17.4 8.1 -1.2 104 121 A D T >> S+ 0 0 91 1,-0.2 3,-3.4 2,-0.2 4,-1.2 0.942 83.7 64.7 -59.3 -58.6 15.0 10.6 0.4 105 122 A M H <> S+ 0 0 11 -3,-0.5 4,-2.0 1,-0.3 5,-0.4 0.787 84.2 79.7 -32.9 -32.2 11.9 9.4 -1.5 106 123 A I H <> S+ 0 0 4 -3,-0.8 4,-0.5 -4,-0.4 -1,-0.3 0.750 103.6 34.1 -52.8 -17.8 12.4 6.1 0.4 107 124 A F H <> S+ 0 0 4 -3,-3.4 4,-4.7 2,-0.2 5,-0.2 0.728 108.6 65.2-112.2 -33.5 10.7 7.9 3.3 108 125 A E H X S+ 0 0 75 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.727 112.3 37.2 -60.6 -23.0 8.4 10.0 1.3 109 126 A I H X S+ 0 0 2 -4,-2.0 4,-3.5 2,-0.2 5,-0.4 0.857 114.7 54.0 -91.8 -42.2 6.7 6.9 0.3 110 127 A F H X S+ 0 0 4 -4,-0.5 4,-3.5 -5,-0.4 -2,-0.2 0.924 114.3 43.7 -64.3 -43.0 7.1 5.2 3.6 111 128 A K H X S+ 0 0 67 -4,-4.7 4,-0.9 2,-0.2 5,-0.2 0.987 114.0 51.0 -47.2 -74.7 5.5 8.1 5.1 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707 113 D R H X S+ 0 0 45 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.838 114.0 54.6 -26.2 -54.8 21.5 -8.3 57.0 708 114 D T H >X S+ 0 0 42 -4,-1.2 4,-1.8 2,-0.3 3,-0.6 0.967 107.3 44.0 -38.2 -73.4 19.5 -8.8 60.2 709 115 D V H 3X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.3 7,-0.2 0.837 115.5 55.3 -46.2 -35.2 17.6 -5.5 60.0 710 116 D F H 3< S+ 0 0 6 -4,-3.2 -2,-0.3 -5,-0.2 -1,-0.3 0.881 105.7 47.2 -70.2 -40.9 17.3 -6.4 56.4 711 117 D R H << S+ 0 0 133 -4,-2.9 3,-0.3 -3,-0.6 -2,-0.2 0.992 113.2 46.9 -65.4 -57.8 15.7 -9.8 56.9 712 118 D T H < S+ 0 0 88 -4,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.905 133.9 19.1 -41.6 -45.5 13.1 -8.5 59.5 713 119 D D < + 0 0 48 -4,-1.6 -1,-0.3 -5,-0.4 4,-0.2 -0.919 54.7 178.7-144.1 112.1 12.5 -5.8 57.0 714 120 D E S >> S+ 0 0 55 -2,-0.4 3,-2.4 -3,-0.3 4,-0.5 0.849 86.9 65.8 -67.7 -40.8 13.4 -5.7 53.3 715 121 D D H 3> S+ 0 0 95 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.901 85.2 71.6 -52.3 -43.7 11.9 -2.3 52.9 716 122 D M H >> S+ 0 0 5 -7,-0.2 4,-2.8 1,-0.2 3,-0.7 0.776 87.8 66.9 -46.3 -24.3 14.6 -0.9 55.2 717 123 D I H <> S+ 0 0 6 -3,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.990 101.4 41.4 -66.5 -62.3 17.0 -1.4 52.4 718 124 D F H 3X S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.3 0.487 113.6 58.3 -61.1 -1.4 15.6 1.2 49.9 719 125 D E H X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.3 3,-1.0 0.921 107.6 38.1 -60.2 -59.1 19.1 8.0 52.3 724 130 D Y H 3X S+ 0 0 9 -4,-1.4 4,-3.2 1,-0.3 -1,-0.3 0.818 114.4 56.4 -56.5 -39.0 22.4 7.7 50.7 725 131 D L H 3X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.733 106.2 49.3 -66.2 -25.1 21.0 8.8 47.4 726 132 D T H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 3,-0.6 0.941 109.1 46.9 -57.9 -57.6 23.1 12.6 50.3 728 134 D V H 3X S+ 0 0 3 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.966 111.9 56.0 -47.1 -58.6 24.8 11.9 47.0 729 135 D A H 3X S+ 0 0 17 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.711 111.0 41.0 -28.2 -50.1 22.2 14.4 45.6 730 136 D Y H > 0 0 124 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -68.9 37.6 26.3 37.5 738 150 D T H 3> + 0 0 51 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.593 360.0 86.8 -63.3 -13.9 40.9 27.5 36.0 739 151 D I H 3> S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.874 86.2 49.1 -47.1 -42.9 38.4 30.3 35.5 740 152 D R H <> S+ 0 0 11 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.891 109.8 44.2 -70.0 -52.0 39.4 31.6 39.0 741 153 D I H X S+ 0 0 1 -4,-0.5 4,-2.1 2,-0.2 5,-0.2 0.942 115.3 48.7 -64.5 -51.0 43.2 31.7 38.9 742 154 D L H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.827 114.9 47.4 -51.3 -37.0 43.4 33.2 35.4 743 155 D R H X S+ 0 0 20 -4,-0.9 4,-2.1 -5,-0.3 5,-0.4 0.823 106.2 56.0 -80.8 -35.3 40.8 35.8 36.7 744 156 D L H X S+ 0 0 3 -4,-2.6 4,-1.2 -173,-0.3 -2,-0.2 0.895 119.2 33.9 -61.5 -40.3 42.8 36.5 39.9 745 157 D F H X S+ 0 0 4 -4,-2.1 4,-3.4 3,-0.2 5,-0.3 0.880 114.1 59.6 -80.4 -38.8 45.8 37.4 37.7 746 158 D Y H X S+ 0 0 48 -4,-2.7 4,-2.7 -5,-0.2 -3,-0.2 0.929 116.7 31.4 -53.7 -52.8 43.8 38.9 34.9 747 159 D E H < S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 121.0 54.1 -74.3 -38.9 42.2 41.6 37.2 748 160 D L H X S+ 0 0 2 -4,-1.2 4,-0.9 -5,-0.4 5,-0.3 0.832 116.5 36.8 -57.6 -40.2 45.4 41.6 39.3 749 161 D C H X S+ 0 0 3 -4,-3.4 4,-1.4 2,-0.2 3,-0.3 0.901 108.2 61.3 -84.3 -49.3 47.6 42.3 36.2 750 162 D S H < S+ 0 0 62 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 0.460 119.5 31.8 -54.2 -2.7 45.2 44.6 34.3 751 163 D S H 4 S+ 0 0 43 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.531 132.5 23.4-136.0 -26.3 45.5 46.9 37.3 752 164 D Q H < S+ 0 0 36 -4,-0.9 -3,-0.2 -3,-0.3 -2,-0.2 0.689 87.9 111.3-119.3 -33.3 49.1 46.4 38.7 753 165 D G < - 0 0 23 -4,-1.4 2,-0.5 -5,-0.3 9,-0.2 -0.090 45.5-163.0 -41.0 128.1 51.2 45.1 35.9 754 166 D K - 0 0 171 7,-2.4 5,-0.1 2,-0.0 -1,-0.1 -0.907 25.0-139.3-110.8 98.5 53.9 47.4 34.5 755 167 D R - 0 0 165 -2,-0.5 2,-0.5 5,-0.2 5,-0.3 -0.175 11.7-158.7 -49.7 139.3 54.7 45.8 31.1 756 168 D V B > -K 759 0M 91 3,-3.4 3,-2.7 1,-0.0 2,-0.3 -0.950 62.4 -69.6-119.3 113.1 58.3 45.7 30.2 757 169 D G T 3 S+ 0 0 55 -2,-0.5 -2,-0.0 1,-0.3 -1,-0.0 -0.206 130.5 14.5 35.8 -96.5 58.1 45.2 26.5 758 170 D D T 3 S+ 0 0 125 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.711 123.0 66.1 -68.4 -24.0 56.8 41.7 26.2 759 171 D T B < 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3>5S+ 0 0 126 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.597 100.7 62.9 -9.4 -55.5 48.6 27.9 49.8 770 182 D S H X>5S+ 0 0 3 -3,-2.4 3,-2.2 1,-0.2 4,-2.0 0.932 101.6 47.3 -38.3 -70.4 47.2 31.4 49.8 771 183 D I H <>XS+ 0 0 0 -3,-1.6 4,-2.3 -5,-0.7 5,-0.5 0.885 104.3 61.7 -43.7 -55.3 45.8 31.2 46.3 772 184 D G H 3<5S+ 0 0 14 -4,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.713 111.9 39.2 -49.9 -30.2 44.2 27.8 47.1 773 185 D E H X<5S+ 0 0 66 -3,-2.2 3,-1.6 -4,-1.3 -2,-0.2 0.930 114.2 52.1 -76.5 -65.3 42.1 29.5 49.7 774 186 D I H 3<5S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.862 122.9 30.5 -32.1 -67.0 41.4 32.7 47.7 775 187 D T T 3<5S- 0 0 10 -4,-2.3 -1,-0.3 1,-0.1 -3,-0.2 0.606 106.8-121.2 -74.6 -14.3 40.1 30.8 44.7 776 188 D G < < + 0 0 38 -3,-1.6 -3,-0.2 -5,-0.5 -4,-0.1 0.559 62.3 152.4 81.2 12.3 38.7 27.8 46.7 777 189 D V - 0 0 28 -6,-0.4 2,-0.4 1,-0.1 -1,-0.2 -0.197 54.4-107.9 -75.3 156.3 41.1 25.5 44.7 778 190 D H > - 0 0 106 1,-0.1 4,-2.5 4,-0.0 5,-0.1 -0.719 34.6-118.6 -71.6 138.2 42.7 22.2 45.5 779 191 D H H > S+ 0 0 111 -2,-0.4 4,-3.4 1,-0.2 -1,-0.1 0.762 117.7 63.2 -50.6 -29.3 46.4 22.8 46.2 780 192 D V H > S+ 0 0 70 2,-0.2 4,-2.9 3,-0.2 5,-0.4 0.998 104.2 41.5 -46.0 -76.9 46.7 20.4 43.2 781 193 D T H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.863 116.3 51.7 -45.7 -49.2 44.9 22.8 40.8 782 194 D V H >X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 3,-1.2 0.986 115.6 41.3 -44.4 -67.8 46.9 25.6 42.3 783 195 D S H >X S+ 0 0 64 -4,-3.4 4,-0.8 1,-0.3 3,-0.7 0.880 121.9 37.2 -53.6 -57.3 50.1 23.7 41.8 784 196 D R H 3X S+ 0 0 155 -4,-2.9 4,-1.3 1,-0.2 -1,-0.3 0.450 111.0 62.2 -78.5 -3.1 49.5 22.3 38.2 785 197 D V H << S+ 0 0 8 -4,-1.4 -1,-0.2 -3,-1.2 -2,-0.2 0.699 103.9 49.5 -87.6 -25.4 47.7 25.5 37.2 786 198 D L H S+ 0 0 14 -3,-0.3 4,-1.8 3,-0.1 6,-0.8 0.343 114.1 57.3-135.8 -32.0 50.7 28.1 32.1 790 202 D K H < S+ 0 0 131 -4,-0.7 -2,-0.2 4,-0.1 -3,-0.2 0.913 116.3 41.1 -54.2 -48.5 54.4 28.0 33.1 791 203 D R T < S+ 0 0 155 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.1 0.994 113.1 47.6 -60.8 -84.1 54.5 25.3 30.3 792 204 D E T 4 S- 0 0 126 1,-0.2 -2,-0.1 -5,-0.1 -1,-0.1 0.740 112.8-118.0 -26.9 -52.3 52.2 26.9 27.6 793 205 D N S < S+ 0 0 114 -4,-1.8 -1,-0.2 2,-0.2 12,-0.2 0.280 79.7 116.1 128.9 1.5 54.2 30.1 28.0 794 206 D I S S+ 0 0 12 -5,-0.4 11,-2.9 11,-0.1 12,-1.1 0.944 75.3 13.5 -65.6 -49.7 51.5 32.6 29.2 795 207 D L E -M 804 0N 11 -6,-0.8 2,-0.3 9,-0.2 9,-0.3 -0.799 50.1-155.5-127.9 158.4 52.7 33.5 32.8 796 208 D D E +M 803 0N 33 7,-3.7 7,-2.8 -2,-0.3 -10,-0.0 -0.951 15.8 166.2-135.4 127.8 55.6 33.3 35.3 797 209 D K + 0 0 51 -2,-0.3 4,-0.2 5,-0.2 -31,-0.2 0.706 24.3 141.0-104.4 -30.7 55.2 33.4 39.1 798 210 D K S > S- 0 0 51 2,-0.1 3,-0.7 5,-0.1 2,-0.3 0.206 70.7 -17.3 -20.1 115.7 58.6 32.3 40.5 799 211 D K T 3 S- 0 0 170 1,-0.2 -33,-0.6 3,-0.0 -32,-0.1 -0.612 117.1 -38.7 82.7-138.7 59.6 34.3 43.7 800 212 D N T 3 S+ 0 0 82 -2,-0.3 -36,-1.8 -35,-0.2 2,-0.5 0.281 113.7 90.1-105.4 7.9 58.0 37.7 44.6 801 213 D K E < -L 763 0N 49 -3,-0.7 2,-0.3 -38,-0.3 -38,-0.2 -0.921 63.5-149.0-110.9 125.5 57.7 38.9 41.0 802 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4,-1.1 1,-0.2 -2,-0.2 0.775 114.5 49.6 -50.6 -43.0 25.3 -20.1 -45.3 1196 198 F L H >X S+ 0 0 9 -4,-3.1 4,-0.8 -5,-0.3 3,-0.6 0.934 112.0 47.2 -66.5 -51.7 27.3 -23.0 -46.9 1197 199 F A H 3X S+ 0 0 54 -4,-0.9 4,-0.9 -5,-0.3 -1,-0.2 0.796 110.2 55.5 -52.8 -35.9 30.6 -21.2 -46.5 1198 200 F C H 3X S+ 0 0 20 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.646 96.4 59.7 -85.5 -15.4 29.6 -20.4 -42.9 1199 201 F L H <<>S+ 0 0 7 -4,-1.1 5,-0.7 -3,-0.6 -1,-0.3 0.800 103.9 61.5 -64.5 -28.1 29.0 -24.1 -42.1 1200 202 F K H <5S+ 0 0 123 -4,-0.8 3,-0.4 2,-0.2 -2,-0.2 0.840 107.4 35.3 -63.6 -49.8 32.8 -24.0 -43.2 1201 203 F R H <5S+ 0 0 144 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.879 113.0 60.1 -77.5 -39.3 34.2 -21.6 -40.5 1202 204 F E T <5S- 0 0 105 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.318 106.0-125.7 -77.9 11.0 31.8 -23.0 -37.7 1203 205 F N T 5S+ 0 0 111 -3,-0.4 -3,-0.1 2,-0.1 3,-0.1 0.394 78.8 104.1 71.8 0.9 33.2 -26.5 -38.1 1204 206 F I S -G 1211 0V 16 3,-1.5 3,-0.5 -2,-0.6 -1,-0.0 -0.489 35.2 -99.3 -80.0 164.7 33.9 -31.2 -50.5 1209 211 F K T 3 S- 0 0 167 1,-0.2 -33,-0.5 -2,-0.2 -1,-0.1 0.961 116.2 -1.3 -38.7 -78.0 34.1 -31.5 -54.3 1210 212 F N T 3 S+ 0 0 101 -35,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.180 137.4 45.8-110.8 37.5 32.5 -34.9 -54.6 1211 213 F K E < - G 01208V 33 -3,-0.5 -3,-1.5 -38,-0.2 2,-0.3 -0.939 66.4-140.0-170.2 160.8 31.9 -35.4 -50.8 1212 214 F I E - G 01207V 2 -2,-0.3 -40,-1.0 -40,-0.3 2,-0.6 -0.827 13.9-155.8-144.6 106.4 30.6 -33.5 -47.7 1213 215 F I E -FG11711206V 41 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.3 -0.741 5.6-167.1 -88.1 115.8 32.3 -33.8 -44.3 1214 216 F V E +FG11701205V 0 -44,-1.6 -44,-1.6 -2,-0.6 -9,-0.3 -0.793 8.1 178.1 -92.1 143.8 30.2 -33.0 -41.2 1215 217 F Y S S+ 0 0 80 -11,-2.3 2,-0.3 -2,-0.3 -11,-0.2 0.687 73.9 33.1-117.1 -29.1 32.2 -32.7 -38.0 1216 218 F N > + 0 0 74 -12,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.715 55.6 167.4-140.6 71.2 29.6 -31.8 -35.4 1217 219 F L H > S+ 0 0 44 -2,-0.3 4,-5.0 2,-0.2 5,-0.3 0.872 81.6 64.9 -59.7 -37.7 26.3 -33.6 -36.1 1218 220 F G H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.966 108.0 40.2 -42.0 -58.6 25.3 -32.6 -32.6 1219 221 F E H > S+ 0 0 89 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.848 119.1 45.5 -66.9 -36.8 25.5 -29.0 -33.8 1220 222 F L H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.967 112.9 51.2 -63.4 -52.2 23.9 -29.8 -37.2 1221 223 F K H < S+ 0 0 91 -4,-5.0 3,-0.5 1,-0.3 -2,-0.2 0.905 113.0 43.8 -54.8 -52.0 21.2 -31.9 -35.6 1222 224 F H H < S+ 0 0 141 -4,-2.6 2,-1.6 -5,-0.3 -1,-0.3 0.843 101.7 72.1 -56.3 -35.5 20.2 -29.2 -33.1 1223 225 F L < 0 0 60 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 0.009 360.0 360.0 -74.5 36.4 20.5 -26.7 -36.1 1224 226 F S 0 0 47 -2,-1.6 -3,-0.1 -3,-0.5 -71,-0.1 -0.424 360.0 360.0-173.5 360.0 17.3 -28.1 -37.5