==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 16-JAN-06 2FPG . COMPND 2 MOLECULE: SUCCINYL-COA LIGASE [GDP-FORMING] ALPHA-CHAIN, . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.E.FRASER . 698 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 53 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 1 0 2 2 1 3 4 3 4 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 1 2 3 1 1 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 . 3 4 2 4 2 0 2 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 . 1 0 2 0 1 2 1 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 2 A S >> 0 0 92 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-110.1 80.3 89.5 -15.1 2 3 A Y G >4 + 0 0 17 117,-0.6 3,-1.8 1,-0.3 4,-0.2 0.879 360.0 59.5 -61.3 -36.8 78.5 86.8 -13.1 3 4 A T G >4 S+ 0 0 77 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.725 94.6 66.0 -63.2 -19.7 79.6 88.6 -9.9 4 5 A A G X4 S+ 0 0 49 -3,-1.2 3,-0.8 1,-0.2 -1,-0.3 0.788 91.6 63.3 -71.1 -25.0 77.6 91.5 -11.2 5 6 A S G X< S+ 0 0 0 -3,-1.8 3,-1.3 -4,-0.5 -1,-0.2 0.467 72.4 92.2 -79.4 -2.0 74.5 89.4 -10.9 6 7 A R G X S+ 0 0 48 -3,-1.1 3,-3.2 1,-0.3 4,-0.3 0.909 73.6 72.1 -55.8 -40.9 74.8 89.1 -7.0 7 8 A K G X S+ 0 0 133 -3,-0.8 3,-1.3 1,-0.3 -1,-0.3 0.808 87.2 63.6 -41.3 -38.5 72.5 92.2 -7.0 8 9 A H G < S+ 0 0 46 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.556 81.2 79.5 -69.6 -8.0 69.6 90.0 -8.0 9 10 A L G < S+ 0 0 1 -3,-3.2 2,-1.4 -4,-0.2 -1,-0.2 0.714 75.5 81.1 -72.4 -18.4 69.8 87.9 -4.8 10 11 A Y < - 0 0 54 -3,-1.3 -1,-0.2 -4,-0.3 126,-0.0 -0.605 65.9-178.4 -92.8 79.7 67.9 90.6 -2.9 11 12 A V + 0 0 2 -2,-1.4 2,-0.3 129,-0.1 129,-0.2 -0.298 6.9 169.5 -70.6 161.3 64.3 89.9 -3.9 12 13 A D > - 0 0 53 127,-0.2 3,-2.4 126,-0.1 129,-0.1 -0.896 53.5 -66.0-156.9-175.5 61.7 92.3 -2.4 13 14 A K T 3 S+ 0 0 126 1,-0.3 -2,-0.0 -2,-0.3 27,-0.0 0.770 128.8 59.1 -53.5 -26.9 58.0 93.2 -2.7 14 15 A N T 3 S+ 0 0 106 2,-0.1 2,-0.4 126,-0.0 -1,-0.3 0.691 78.7 111.6 -77.4 -17.2 58.7 94.5 -6.2 15 16 A T < - 0 0 12 -3,-2.4 25,-0.6 124,-0.1 2,-0.5 -0.422 54.6-158.0 -65.2 115.8 59.9 91.1 -7.3 16 17 A K E -a 40 0A 98 -2,-0.4 57,-1.7 55,-0.3 58,-1.2 -0.851 16.7-161.1 -95.6 126.9 57.5 89.5 -9.8 17 18 A V E -ab 41 74A 3 23,-3.4 25,-1.9 -2,-0.5 26,-0.8 -0.906 14.8-168.0-119.3 138.2 57.9 85.7 -9.9 18 19 A I E -ab 43 75A 1 56,-2.1 58,-2.0 -2,-0.4 2,-0.5 -0.820 18.8-130.7-116.1 159.3 57.0 83.0 -12.4 19 20 A C E > -ab 44 76A 0 24,-1.4 26,-2.3 -2,-0.3 3,-0.7 -0.929 6.6-152.3-115.8 130.4 57.0 79.2 -11.8 20 21 A Q E 3 S+ab 45 77A 6 56,-2.9 58,-1.2 -2,-0.5 59,-0.5 -0.856 93.2 24.4 -97.2 129.1 58.6 76.6 -14.2 21 22 A G T > S+ 0 0 23 24,-1.0 3,-1.2 -2,-0.5 6,-0.6 0.835 86.5 165.3 81.1 34.8 56.9 73.3 -13.9 22 23 A F T < + 0 0 0 23,-1.7 9,-0.1 -3,-0.7 24,-0.1 0.831 64.5 44.0 -53.6 -47.2 53.9 75.3 -12.7 23 24 A T T 3 S+ 0 0 48 22,-0.5 -1,-0.3 4,-0.2 23,-0.1 0.368 92.0 109.4 -87.9 7.2 51.1 72.8 -13.1 24 25 A G S <> S- 0 0 33 -3,-1.2 4,-2.6 1,-0.1 5,-0.3 -0.231 88.7 -98.8 -75.7 170.7 53.2 70.0 -11.5 25 26 A K H > S+ 0 0 182 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.929 124.3 34.6 -56.0 -46.4 52.5 68.6 -8.1 26 27 A Q H > S+ 0 0 79 2,-0.2 4,-2.8 3,-0.2 5,-0.4 0.952 115.7 52.4 -74.6 -52.9 55.2 70.7 -6.5 27 28 A G H > S+ 0 0 1 -6,-0.6 4,-0.8 1,-0.2 -5,-0.2 0.931 115.1 44.6 -47.8 -50.7 54.9 73.8 -8.7 28 29 A T H >X S+ 0 0 23 -4,-2.6 4,-2.1 -7,-0.3 3,-0.7 0.944 114.2 48.2 -59.6 -53.1 51.2 73.9 -7.9 29 30 A F H 3X S+ 0 0 63 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.926 115.5 41.6 -56.2 -52.0 51.5 73.2 -4.2 30 31 A H H 3X S+ 0 0 12 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.556 113.3 56.7 -75.9 -6.5 54.3 75.8 -3.5 31 32 A S H S+ 0 0 8 -4,-0.9 5,-2.3 2,-0.2 4,-1.0 0.843 108.9 47.3 -62.3 -29.9 53.7 81.4 -2.4 35 36 A L H ><5S+ 0 0 67 -4,-1.5 3,-2.2 1,-0.2 4,-0.3 0.990 105.0 55.7 -69.6 -67.3 50.5 83.4 -2.9 36 37 A E H 3<5S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.612 107.3 52.8 -42.3 -16.8 49.2 83.0 0.6 37 38 A Y H 3<5S- 0 0 64 -4,-1.0 -1,-0.3 104,-0.1 -2,-0.2 0.820 122.4-104.7 -89.7 -34.8 52.5 84.5 1.8 38 39 A G T <<5 + 0 0 48 -3,-2.2 -3,-0.2 -4,-1.0 -2,-0.1 0.514 64.8 152.2 122.2 12.9 52.2 87.5 -0.4 39 40 A T < - 0 0 7 -5,-2.3 2,-1.6 -4,-0.3 -1,-0.2 -0.451 52.9-117.7 -72.0 145.3 54.8 86.7 -3.1 40 41 A N E +a 16 0A 74 -25,-0.6 -23,-3.4 -2,-0.1 2,-0.9 -0.576 40.4 175.1 -87.9 76.5 54.0 88.3 -6.5 41 42 A L E +a 17 0A 13 -2,-1.6 -23,-0.2 -25,-0.2 3,-0.1 -0.747 3.4 176.7 -82.9 109.2 53.5 85.1 -8.5 42 43 A V E - 0 0 35 -25,-1.9 2,-0.3 -2,-0.9 -24,-0.2 0.465 55.6 -49.6 -95.8 -3.9 52.5 86.4 -11.9 43 44 A G E -a 18 0A 0 -26,-0.8 -24,-1.4 14,-0.1 2,-0.2 -0.969 50.8-130.8 160.7-171.8 52.2 83.1 -13.8 44 45 A G E -ac 19 59A 0 14,-1.7 16,-2.1 -2,-0.3 2,-0.3 -0.828 18.4-108.6-153.9-168.9 54.0 79.9 -14.6 45 46 A T E +ac 20 60A 7 -26,-2.3 -23,-1.7 -2,-0.2 -24,-1.0 -0.966 29.9 150.8-141.3 158.2 55.1 77.6 -17.4 46 47 A T > - 0 0 23 14,-1.7 3,-1.2 -2,-0.3 2,-0.4 -0.819 49.9 -97.0-177.0 136.2 54.4 74.3 -19.0 47 48 A P T 3 S+ 0 0 118 0, 0.0 14,-0.1 0, 0.0 15,-0.1 -0.508 104.6 13.7 -68.8 119.3 54.8 73.1 -22.7 48 49 A G T 3 S+ 0 0 68 -2,-0.4 13,-0.1 0, 0.0 12,-0.0 0.602 104.5 84.5 96.2 13.5 51.5 73.2 -24.6 49 50 A K X + 0 0 103 -3,-1.2 3,-1.9 11,-0.2 10,-0.3 0.198 48.5 148.8-130.4 16.8 49.3 75.3 -22.3 50 51 A G T 3 S+ 0 0 33 1,-0.3 10,-0.3 -4,-0.2 3,-0.1 -0.286 74.3 22.4 -53.8 127.8 50.3 78.8 -23.3 51 52 A G T 3 S+ 0 0 72 8,-0.8 -1,-0.3 1,-0.3 9,-0.1 -0.159 101.3 107.9 105.1 -39.3 47.2 81.0 -22.8 52 53 A K < - 0 0 137 -3,-1.9 7,-1.7 7,-0.4 -1,-0.3 0.171 63.5-123.0 -59.3-176.6 45.5 78.6 -20.2 53 54 A T E -F 58 0B 106 5,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.986 21.2-175.8-138.6 148.6 45.2 79.3 -16.5 54 55 A H E > S-F 57 0B 40 3,-3.1 3,-2.3 -2,-0.3 -31,-0.0 -0.990 79.4 -1.4-142.1 135.2 46.3 77.6 -13.3 55 56 A L T 3 S- 0 0 56 -2,-0.3 -1,-0.1 1,-0.3 -12,-0.0 0.809 132.7 -57.7 51.2 33.6 45.5 78.8 -9.8 56 57 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.690 120.6 110.3 71.7 19.0 43.7 81.8 -11.4 57 58 A L E < S-F 54 0B 29 -3,-2.3 -3,-3.1 1,-0.0 -1,-0.3 -0.851 73.4 -95.4-125.4 159.7 47.0 82.6 -13.1 58 59 A P E -F 53 0B 46 0, 0.0 -14,-1.7 0, 0.0 2,-0.5 -0.393 25.5-152.2 -74.1 149.4 48.4 82.5 -16.7 59 60 A V E -c 44 0A 2 -7,-1.7 -8,-0.8 -10,-0.3 -7,-0.4 -0.907 15.5-168.1-126.9 101.7 50.4 79.5 -18.1 60 61 A F E -c 45 0A 18 -16,-2.1 -14,-1.7 -2,-0.5 -11,-0.2 -0.310 24.4-131.7 -85.6 169.7 52.9 80.4 -20.8 61 62 A N S S+ 0 0 61 -16,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.842 87.2 33.2 -88.1 -38.1 54.8 78.0 -23.1 62 63 A T > - 0 0 52 1,-0.1 4,-2.2 -17,-0.1 5,-0.2 -0.905 68.6-132.4-123.4 150.2 58.2 79.5 -22.7 63 64 A V H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.869 112.2 63.0 -61.4 -33.9 60.1 81.2 -19.9 64 65 A K H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.946 108.7 36.4 -54.0 -56.2 60.9 83.7 -22.7 65 66 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.996 111.6 58.4 -59.9 -67.1 57.2 84.6 -23.3 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.3 6,-0.5 0.752 111.3 44.7 -32.7 -40.6 56.2 84.5 -19.6 67 68 A K H X S+ 0 0 56 -4,-2.0 4,-3.2 2,-0.2 3,-0.3 0.938 113.3 46.5 -75.5 -49.0 58.8 87.1 -18.9 68 69 A E H < S+ 0 0 145 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.652 120.2 43.4 -67.5 -14.6 58.1 89.5 -21.7 69 70 A Q H < S+ 0 0 141 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.603 129.2 22.9-106.1 -15.5 54.4 89.2 -20.9 70 71 A T H < S- 0 0 27 -4,-1.0 -3,-0.2 -5,-0.4 -2,-0.2 0.528 92.3-130.6-122.5 -19.1 54.6 89.4 -17.1 71 72 A G < - 0 0 30 -4,-3.2 -55,-0.3 -5,-0.3 -4,-0.2 0.809 38.6-179.4 69.8 27.8 57.8 91.2 -16.6 72 73 A A - 0 0 1 -6,-0.5 -1,-0.2 -5,-0.2 -55,-0.2 -0.410 21.4-165.6 -62.2 132.4 58.8 88.7 -14.1 73 74 A T S S+ 0 0 55 -57,-1.7 25,-0.5 23,-0.1 2,-0.3 0.292 72.1 38.6-101.5 6.9 62.3 89.5 -12.7 74 75 A A E -bd 17 98A 0 -58,-1.2 -56,-2.1 23,-0.2 2,-0.3 -0.993 59.6-163.4-155.4 157.4 62.5 86.0 -11.2 75 76 A S E -bd 18 99A 0 23,-1.9 25,-2.0 -2,-0.3 2,-0.4 -0.996 7.9-153.7-143.7 144.3 61.7 82.3 -11.8 76 77 A V E -bd 19 100A 5 -58,-2.0 -56,-2.9 -2,-0.3 2,-0.5 -0.941 8.4-152.0-122.5 145.0 61.5 79.2 -9.5 77 78 A I E +bd 20 101A 0 23,-2.4 25,-2.5 -2,-0.4 26,-1.0 -0.958 29.3 156.5-124.2 124.3 62.0 75.6 -10.5 78 79 A Y + 0 0 25 -58,-1.2 26,-0.1 -2,-0.5 -57,-0.1 0.468 36.9 135.7-115.7 -10.3 60.5 72.5 -8.9 79 80 A V - 0 0 26 -59,-0.5 5,-0.1 4,-0.1 24,-0.1 0.220 64.6 -85.7 -35.2 154.0 60.8 70.2 -11.9 80 81 A P >> - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.271 45.6 -98.9 -66.8 160.1 62.1 66.6 -11.5 81 82 A P H >> S+ 0 0 40 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.825 117.6 59.9 -46.1 -46.7 65.9 65.9 -11.5 82 83 A P H 34 S+ 0 0 51 0, 0.0 4,-0.1 0, 0.0 24,-0.0 0.472 118.2 30.9 -67.9 3.5 66.2 64.8 -15.1 83 84 A F H <> S+ 0 0 123 -3,-2.0 4,-2.2 2,-0.1 -4,-0.1 0.381 91.0 89.2-139.8 -0.3 64.9 68.1 -16.3 84 85 A A H X S+ 0 0 14 -4,-0.7 4,-1.8 1,-0.2 3,-0.7 0.952 109.6 42.5 -54.5 -56.0 69.2 71.2 -15.7 86 87 A A H 3> S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.932 109.4 59.9 -55.9 -48.7 67.4 72.1 -18.9 87 88 A A H 3X S+ 0 0 7 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.795 105.3 49.1 -50.2 -34.9 65.0 74.3 -16.9 88 89 A I H XX S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.7 3,-0.5 0.946 109.9 47.6 -74.0 -48.9 67.9 76.4 -15.6 89 90 A N H 3X S+ 0 0 42 -4,-1.8 4,-3.4 1,-0.3 -2,-0.2 0.859 108.5 57.9 -60.0 -34.1 69.6 77.1 -19.0 90 91 A E H 3X S+ 0 0 81 -4,-2.5 4,-1.9 2,-0.2 -1,-0.3 0.861 108.4 44.4 -64.3 -35.9 66.1 78.0 -20.3 91 92 A A H <<>S+ 0 0 0 -4,-1.0 5,-1.7 -3,-0.5 -2,-0.2 0.887 112.8 53.1 -73.3 -39.7 65.9 80.7 -17.7 92 93 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.921 109.0 48.6 -61.1 -45.1 69.4 81.7 -18.4 93 94 A D H 3<5S+ 0 0 78 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.954 110.7 49.7 -60.6 -48.1 68.6 82.0 -22.1 94 95 A A T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.445 112.4-128.4 -69.9 2.0 65.5 84.1 -21.3 95 96 A E T < 5 - 0 0 90 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.938 35.0-176.7 47.9 61.5 67.8 86.2 -19.1 96 97 A V < - 0 0 1 -5,-1.7 29,-0.5 1,-0.2 -1,-0.2 -0.791 27.8-135.5 -88.6 115.5 65.7 86.0 -16.0 97 98 A P S S+ 0 0 29 0, 0.0 28,-1.3 0, 0.0 2,-0.4 0.781 88.4 30.9 -39.3 -34.0 67.5 88.2 -13.4 98 99 A L E +de 74 125A 3 -25,-0.5 -23,-1.9 26,-0.2 2,-0.4 -0.988 61.6 179.5-138.9 134.1 67.0 85.5 -10.8 99 100 A V E -de 75 126A 0 26,-2.4 28,-2.6 -2,-0.4 2,-0.5 -0.995 5.0-171.3-132.1 126.6 66.7 81.7 -11.0 100 101 A V E -de 76 127A 0 -25,-2.0 -23,-2.4 -2,-0.4 2,-0.6 -0.973 5.8-163.3-120.1 117.6 66.1 79.5 -8.0 101 102 A C E +d 77 0A 0 26,-2.9 30,-0.6 -2,-0.5 -23,-0.1 -0.904 14.9 172.3-103.3 125.0 66.4 75.8 -8.4 102 103 A I + 0 0 20 -25,-2.5 29,-0.5 -2,-0.6 28,-0.3 0.876 40.5 116.3 -91.4 -48.1 64.9 73.7 -5.7 103 104 A T - 0 0 11 -26,-1.0 27,-1.7 27,-0.2 2,-0.4 0.230 51.0-153.6 -29.1 125.4 65.2 70.3 -7.3 104 105 A E S S+ 0 0 87 1,-0.2 -1,-0.1 25,-0.2 -2,-0.1 -0.828 70.4 47.7-102.9 141.6 67.5 67.8 -5.6 105 106 A G + 0 0 10 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.566 60.2 150.8 108.5 7.1 69.1 65.2 -7.7 106 107 A I - 0 0 1 -3,-0.3 -1,-0.3 1,-0.1 428,-0.2 -0.588 58.6-102.7 -74.0 130.2 70.5 66.9 -10.7 107 108 A P > - 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.247 27.2-128.8 -50.3 137.6 73.6 65.0 -12.0 108 109 A Q H >> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.953 107.4 58.2 -56.0 -51.9 76.7 66.9 -10.8 109 110 A Q H 3> S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.861 103.6 54.5 -44.9 -42.2 78.2 66.9 -14.3 110 111 A D H 3> S+ 0 0 26 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.924 107.0 50.2 -59.6 -45.4 75.1 68.7 -15.5 111 112 A M H < S+ 0 0 85 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.976 117.7 52.4 -53.9 -58.0 77.4 78.6 -19.2 118 119 A L H >< S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.2 -2,-0.2 0.840 101.1 55.8 -45.0 -56.0 76.5 80.7 -16.2 119 120 A L H 3< S+ 0 0 68 -4,-2.3 -117,-0.6 1,-0.3 -1,-0.2 0.632 98.5 64.7 -61.0 -16.5 79.9 82.2 -15.3 120 121 A R T << S+ 0 0 145 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.3 -0.166 104.1 45.8-102.6 40.4 80.2 83.7 -18.8 121 122 A Q < - 0 0 32 -3,-0.8 -116,-0.2 3,-0.1 -29,-0.0 -0.966 56.6-154.8-168.6 161.3 77.3 86.0 -18.4 122 123 A G S S+ 0 0 26 -2,-0.3 -3,-0.1 -118,-0.1 -4,-0.0 0.327 74.7 84.9-128.5 5.9 75.8 88.5 -16.0 123 124 A K S S+ 0 0 109 1,-0.1 2,-0.4 -31,-0.1 -121,-0.0 0.913 90.3 48.8 -75.7 -41.3 72.1 88.6 -16.8 124 125 A T - 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0 0 162 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.878 27.2-164.7 38.4 48.9 55.3 48.5 21.5 654 348 B L < - 0 0 37 -5,-0.8 -1,-0.1 -6,-0.2 4,-0.1 -0.282 19.2-163.3 -61.2 149.1 58.8 50.1 21.6 655 349 B K + 0 0 205 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.069 56.1 99.9-127.2 33.0 60.6 49.6 24.9 656 350 B V S S- 0 0 29 -30,-0.0 2,-0.2 -29,-0.0 -30,-0.2 -0.967 84.7-101.3-120.0 133.9 63.3 52.3 24.6 657 351 B P - 0 0 60 0, 0.0 -30,-1.5 0, 0.0 2,-0.4 -0.353 43.2-152.3 -56.3 118.3 63.0 55.7 26.3 658 352 B L E -e 627 0H 5 22,-0.3 24,-2.6 -32,-0.2 2,-0.4 -0.796 12.6-167.6 -99.6 136.7 61.9 58.1 23.5 659 353 B V E -ef 628 682H 0 -32,-2.4 -30,-3.1 -2,-0.4 2,-0.4 -0.983 8.3-165.6-121.2 130.8 62.7 61.8 23.5 660 354 B V E -ef 629 683H 1 22,-3.6 24,-2.4 -2,-0.4 2,-0.4 -0.970 11.8-176.5-126.3 136.6 60.9 64.1 21.1 661 355 B R E +e 630 0H 4 -32,-2.0 -30,-2.0 -2,-0.4 2,-0.3 -0.938 13.1 174.2-131.2 106.0 61.7 67.7 20.0 662 356 B L E +e 631 0H 18 -2,-0.4 2,-0.3 22,-0.4 -30,-0.2 -0.812 2.5 163.8-113.3 154.9 59.2 69.4 17.7 663 357 B E E +e 632 0H 25 -32,-0.8 -30,-2.4 -2,-0.3 2,-0.3 -0.957 36.0 33.0-166.3 148.0 59.2 73.0 16.4 664 358 B G E > S+e 633 0H 5 -2,-0.3 3,-1.8 -32,-0.2 -30,-0.2 -0.701 91.5 32.0 106.2-157.8 57.6 75.1 13.7 665 359 B T T 3 S+ 0 0 34 -32,-2.4 -27,-2.8 1,-0.3 -26,-0.2 -0.040 129.4 6.4 -38.8 127.3 54.2 75.0 11.9 666 360 B N T 3> S+ 0 0 55 -29,-0.2 4,-2.0 -28,-0.1 5,-0.3 0.697 81.7 155.8 70.9 21.2 51.6 73.6 14.3 667 361 B V H X> + 0 0 36 -3,-1.8 4,-1.3 1,-0.2 3,-1.0 0.892 67.8 41.1 -40.7 -89.8 53.8 73.6 17.4 668 362 B H H 3> S+ 0 0 134 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.706 113.8 54.1 -29.8 -46.2 51.2 73.8 20.3 669 363 B E H >> S+ 0 0 99 1,-0.2 3,-1.7 2,-0.2 4,-1.6 0.957 107.8 47.5 -61.1 -52.5 48.7 71.4 18.6 670 364 B A H < S+ 0 0 106 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.830 113.9 47.2 -39.8 -40.4 50.8 65.1 25.8 676 370 B N H 3< S+ 0 0 123 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.986 91.3 72.9 -69.9 -60.6 47.4 63.4 25.3 677 371 B S H 3< S- 0 0 30 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.575 91.8-138.5 -31.5 -17.3 48.5 59.9 24.1 678 372 B G << + 0 0 68 -4,-0.6 -1,-0.2 -3,-0.6 -3,-0.1 0.475 53.4 145.2 67.2 -1.0 49.6 59.2 27.7 679 373 B L - 0 0 46 -5,-0.4 2,-0.6 1,-0.1 -1,-0.2 -0.315 68.2-103.3 -70.6 153.4 52.7 57.6 26.2 680 374 B P + 0 0 113 0, 0.0 2,-0.4 0, 0.0 -22,-0.3 0.160 68.5 148.1 -62.2 18.2 56.1 57.8 27.9 681 375 B I - 0 0 24 -2,-0.6 2,-0.5 -7,-0.1 -22,-0.2 -0.440 41.3-144.7 -63.5 112.7 57.2 60.3 25.3 682 376 B T E -f 659 0H 54 -24,-2.6 -22,-3.6 -2,-0.4 2,-0.5 -0.693 12.9-147.3 -82.6 125.3 59.7 62.8 26.8 683 377 B S E -f 660 0H 69 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.822 10.4-160.5 -99.2 128.5 59.2 66.3 25.4 684 378 B A - 0 0 10 -24,-2.4 -22,-0.4 -2,-0.5 3,-0.1 -0.737 17.6-140.7-104.4 153.8 62.2 68.6 25.0 685 379 B V S S- 0 0 100 -2,-0.3 2,-0.2 -24,-0.1 -1,-0.1 0.799 79.2 -17.3 -83.8 -31.6 62.1 72.4 24.6 686 380 B D S > S- 0 0 50 -23,-0.0 4,-2.4 -25,-0.0 5,-0.2 -0.790 84.5 -76.0-152.6-165.4 64.9 72.7 22.0 687 381 B L H > S+ 0 0 1 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.757 128.2 52.8 -77.5 -24.7 67.7 70.7 20.5 688 382 B E H > S+ 0 0 32 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.971 112.3 46.2 -69.0 -55.8 70.0 71.3 23.6 689 383 B D H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.963 114.6 45.5 -47.1 -68.0 67.2 70.0 25.8 690 384 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.869 114.3 53.7 -45.1 -44.0 66.5 67.0 23.6 691 385 B A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.988 111.6 38.1 -56.4 -73.7 70.2 66.4 23.4 692 386 B K H >X S+ 0 0 111 -4,-2.5 4,-1.7 1,-0.2 3,-0.8 0.871 119.6 47.8 -46.9 -49.9 71.1 66.3 27.1 693 387 B K H 3X S+ 0 0 80 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.938 104.5 58.6 -59.5 -50.0 67.9 64.5 28.2 694 388 B A H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.751 107.6 52.3 -52.2 -23.7 68.3 61.9 25.4 695 389 B V H X< S+ 0 0 24 -4,-1.1 3,-1.6 -3,-0.8 -1,-0.2 0.956 102.8 50.8 -79.0 -56.3 71.7 61.1 27.0 696 390 B A H >< S+ 0 0 69 -4,-1.7 3,-1.1 1,-0.3 -2,-0.2 0.853 96.0 76.3 -49.6 -35.5 70.7 60.5 30.7 697 391 B S T 3< S+ 0 0 42 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.286 98.2 44.9 -62.7 12.2 68.1 58.1 29.3 698 392 B V T < 0 0 23 -3,-1.6 -1,-0.3 -126,-0.0 -2,-0.1 -0.245 360.0 360.0-151.9 51.4 71.0 55.7 28.7 699 393 B T < 0 0 164 -3,-1.1 -2,-0.1 0, 0.0 -3,-0.1 0.663 360.0 360.0-128.4 360.0 73.1 55.8 31.9