==== 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 LIGASE 06-APR-07 2YV2 . COMPND 2 MOLECULE: SUCCINYL-COA SYNTHETASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR H.NIWA,S.KURAMITSU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROT . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 0 1 1 2 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 4 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 . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 9 A L 0 0 86 0, 0.0 2,-0.4 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 -21.2 2.7 39.8 31.1 2 10 A V + 0 0 3 129,-0.1 2,-0.2 4,-0.1 129,-0.2 -0.974 360.0 112.0-125.5 121.4 3.3 37.9 34.3 3 11 A D S > S- 0 0 69 -2,-0.4 3,-1.6 127,-0.1 129,-0.1 -0.796 77.4 -50.0-158.8-158.8 0.4 36.7 36.6 4 12 A S T 3 S+ 0 0 67 1,-0.3 27,-0.0 -2,-0.2 -2,-0.0 0.657 126.5 58.2 -67.1 -17.4 -1.5 33.8 38.1 5 13 A E T 3 S+ 0 0 141 2,-0.0 -1,-0.3 126,-0.0 2,-0.2 0.443 77.6 122.8 -91.3 -0.4 -2.1 32.3 34.6 6 14 A T < - 0 0 5 -3,-1.6 25,-0.5 59,-0.1 2,-0.5 -0.416 40.5-172.7 -64.7 129.9 1.7 32.1 34.0 7 15 A R E -a 31 0A 64 -2,-0.2 58,-2.0 56,-0.1 59,-1.9 -0.910 16.0-150.9-128.7 102.3 2.8 28.6 33.1 8 16 A V E -ab 32 66A 0 23,-2.5 25,-1.7 -2,-0.5 26,-1.3 -0.554 18.5-168.2 -88.3 136.0 6.6 28.4 32.9 9 17 A L E -ab 34 67A 0 57,-2.7 59,-2.1 -2,-0.3 2,-0.7 -0.963 18.9-148.2-111.5 128.9 8.9 26.1 30.9 10 18 A V E > -ab 35 68A 0 24,-2.3 26,-2.5 -2,-0.5 3,-0.8 -0.887 4.5-156.2-105.1 112.8 12.5 26.3 32.1 11 19 A Q E 3 S+ab 36 69A 4 57,-2.4 59,-2.8 -2,-0.7 26,-0.2 -0.785 85.1 22.7 -89.0 115.9 15.0 25.8 29.3 12 20 A G T > S+ 0 0 12 24,-3.2 3,-1.1 -2,-0.7 6,-0.5 0.684 78.9 153.7 99.4 31.4 18.3 24.6 30.8 13 21 A I T < + 0 0 0 -3,-0.8 9,-0.2 23,-0.8 24,-0.1 0.775 63.0 57.3 -64.9 -31.2 16.7 23.3 34.0 14 22 A T T 3 S+ 0 0 51 22,-0.2 -1,-0.2 4,-0.1 23,-0.1 0.638 91.4 96.1 -77.7 -10.8 19.2 20.7 34.9 15 23 A G S <> S- 0 0 30 -3,-1.1 4,-2.4 55,-0.1 5,-0.3 -0.154 93.4 -99.8 -72.9 172.4 21.9 23.3 35.0 16 24 A R H > S+ 0 0 231 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.952 122.1 31.7 -55.9 -56.4 23.1 25.1 38.1 17 25 A E H > S+ 0 0 122 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.900 117.6 55.3 -71.7 -43.6 21.1 28.2 37.6 18 26 A G H > S+ 0 0 1 -6,-0.5 4,-1.4 52,-0.3 -5,-0.2 0.894 113.2 41.6 -57.3 -43.5 18.2 26.6 35.8 19 27 A S H X S+ 0 0 28 -4,-2.4 4,-1.8 -7,-0.2 -1,-0.2 0.875 114.3 51.6 -72.9 -39.6 17.6 24.2 38.7 20 28 A F H X S+ 0 0 132 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.950 115.6 40.0 -62.5 -50.5 18.1 26.8 41.4 21 29 A H H X S+ 0 0 29 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.783 108.4 60.1 -74.3 -24.1 15.7 29.2 40.0 22 30 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.947 111.8 43.3 -64.2 -43.2 13.2 26.6 39.0 23 31 A K H X S+ 0 0 93 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 113.5 49.5 -67.1 -45.3 13.1 25.8 42.7 24 32 A A H X S+ 0 0 22 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.893 111.4 50.0 -62.2 -39.2 13.0 29.5 43.8 25 33 A M H X>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-1.1 0.916 110.7 49.2 -66.3 -41.1 10.2 30.2 41.4 26 34 A L H ><5S+ 0 0 62 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.939 109.9 50.8 -60.2 -49.1 8.2 27.2 42.7 27 35 A E H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 108.2 54.1 -61.8 -23.9 8.7 28.3 46.3 28 36 A Y H 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.729 125.9-100.6 -82.2 -24.8 7.5 31.8 45.3 29 37 A G T <<5S+ 0 0 40 -4,-1.1 2,-0.2 -3,-0.8 -3,-0.2 0.463 73.1 143.5 117.5 4.8 4.3 30.4 43.9 30 38 A T < - 0 0 2 -5,-2.7 2,-1.3 -6,-0.2 -1,-0.3 -0.565 55.0-122.3 -76.1 138.9 5.1 30.4 40.2 31 39 A K E -a 7 0A 104 -25,-0.5 -23,-2.5 -2,-0.2 2,-0.8 -0.700 32.9-179.7 -86.5 94.7 3.7 27.5 38.3 32 40 A V E +a 8 0A 12 -2,-1.3 -23,-0.2 -25,-0.2 3,-0.1 -0.869 5.1 172.3 -93.2 110.0 6.8 25.9 36.7 33 41 A V E - 0 0 22 -25,-1.7 2,-0.3 -2,-0.8 -24,-0.2 0.663 54.2 -7.9 -97.4 -18.0 5.3 22.9 34.8 34 42 A A E -a 9 0A 0 -26,-1.3 -24,-2.3 14,-0.1 2,-0.3 -0.989 52.3-146.7-168.0 169.5 8.3 21.6 32.9 35 43 A G E -ac 10 50A 0 14,-2.1 16,-2.5 -2,-0.3 2,-0.4 -0.955 10.8-139.7-143.6 160.9 11.9 22.0 31.8 36 44 A V E +ac 11 51A 5 -26,-2.5 -24,-3.2 -2,-0.3 -23,-0.8 -0.986 27.9 150.8-130.5 135.4 14.1 21.2 28.8 37 45 A T > - 0 0 22 14,-2.2 3,-2.6 -2,-0.4 4,-0.3 -0.769 47.5-117.4-158.1 105.9 17.7 19.9 28.6 38 46 A P T 3 S+ 0 0 101 0, 0.0 14,-0.1 0, 0.0 15,-0.1 -0.222 101.5 18.7 -49.1 126.6 18.7 17.9 25.5 39 47 A G T 3 S+ 0 0 70 0, 0.0 13,-0.1 0, 0.0 14,-0.0 0.327 108.6 80.8 94.8 -8.3 19.7 14.4 26.7 40 48 A K X + 0 0 110 -3,-2.6 3,-2.2 11,-0.2 10,-0.2 0.299 57.3 141.0-111.0 6.1 18.0 14.6 30.1 41 49 A G T 3 + 0 0 31 -4,-0.3 10,-0.3 1,-0.3 3,-0.1 -0.182 66.6 29.9 -51.0 138.2 14.5 13.8 28.9 42 50 A G T 3 S+ 0 0 80 8,-2.6 -1,-0.3 1,-0.3 9,-0.1 0.240 99.9 107.8 94.4 -14.0 12.6 11.6 31.4 43 51 A S < - 0 0 45 -3,-2.2 7,-2.2 7,-0.2 -1,-0.3 -0.130 58.8-138.2 -84.5-171.9 14.5 13.0 34.3 44 52 A E E -F 49 0B 136 5,-0.2 2,-0.5 -3,-0.1 -10,-0.0 -0.986 8.7-159.9-154.1 138.4 13.1 15.3 37.0 45 53 A V E > S-F 48 0B 20 3,-2.5 3,-3.0 -2,-0.3 -31,-0.0 -0.980 81.1 -25.6-124.4 118.2 14.4 18.4 38.8 46 54 A H T 3 S- 0 0 100 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.828 128.4 -49.0 48.2 37.2 12.8 19.4 42.1 47 55 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.282 112.1 124.5 89.7 -11.3 9.7 17.6 41.0 48 56 A V E < -F 45 0B 4 -3,-3.0 -3,-2.5 -14,-0.1 -1,-0.3 -0.705 63.6-121.8 -86.4 126.9 9.6 19.3 37.6 49 57 A P E -F 44 0B 35 0, 0.0 -14,-2.1 0, 0.0 2,-0.4 -0.457 24.3-143.2 -70.4 137.4 9.5 16.9 34.6 50 58 A V E -c 35 0A 3 -7,-2.2 -8,-2.6 -16,-0.2 2,-0.3 -0.838 15.2-169.5-105.7 138.5 12.4 17.3 32.1 51 59 A Y E -c 36 0A 21 -16,-2.5 -14,-2.2 -2,-0.4 -11,-0.2 -0.906 30.5-129.1-124.8 152.5 12.1 16.9 28.3 52 60 A D S S+ 0 0 63 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.663 93.2 17.0 -73.5 -15.6 14.7 16.6 25.6 53 61 A S S > S- 0 0 21 -18,-0.2 4,-1.8 -16,-0.1 5,-0.1 -0.991 72.7-116.7-153.5 160.0 12.9 19.4 23.6 54 62 A V H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.913 114.2 59.7 -62.5 -42.3 10.4 22.2 23.9 55 63 A K H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 107.1 44.7 -50.8 -51.6 8.1 20.3 21.5 56 64 A E H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.870 110.4 54.8 -64.5 -38.1 7.9 17.3 23.8 57 65 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.944 110.3 46.7 -59.1 -48.9 7.4 19.5 26.8 58 66 A L H < S+ 0 0 31 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.821 105.2 59.2 -63.9 -34.3 4.4 21.1 25.1 59 67 A A H < S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.932 117.2 33.2 -60.9 -43.4 2.9 17.8 24.0 60 68 A E H < S+ 0 0 129 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.629 133.5 31.2 -87.2 -15.3 2.7 16.7 27.6 61 69 A H >< + 0 0 35 -4,-1.5 3,-1.6 -5,-0.2 -1,-0.2 -0.534 62.1 165.9-143.2 71.3 2.0 20.2 29.0 62 70 A P T 3 + 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.626 68.6 75.5 -64.4 -12.7 0.1 22.4 26.5 63 71 A E T 3 + 0 0 86 -55,-0.0 -56,-0.1 -5,-0.0 -5,-0.1 0.618 66.7 119.7 -75.7 -9.1 -0.8 25.0 29.1 64 72 A I < + 0 0 11 -3,-1.6 -56,-0.2 1,-0.2 3,-0.1 -0.327 25.3 157.8 -56.5 128.6 2.8 26.3 28.9 65 73 A N + 0 0 58 -58,-2.0 25,-0.7 1,-0.2 24,-0.5 0.374 56.4 51.8-131.6 -2.4 2.7 30.0 27.8 66 74 A T E -bd 8 90A 4 -59,-1.9 -57,-2.7 23,-0.1 2,-0.4 -0.998 56.1-167.9-143.6 139.9 6.1 31.2 29.1 67 75 A S E -bd 9 91A 0 23,-2.5 25,-3.2 -2,-0.4 2,-0.4 -0.959 4.9-161.4-127.0 144.9 9.7 30.1 28.8 68 76 A I E -bd 10 92A 0 -59,-2.1 -57,-2.4 -2,-0.4 2,-0.6 -0.995 17.0-140.2-125.8 130.8 12.8 31.3 30.8 69 77 A V E +bd 11 93A 0 23,-3.6 25,-1.6 -2,-0.4 26,-1.0 -0.838 30.3 163.4-101.6 117.6 16.2 30.6 29.3 70 78 A F + 0 0 15 -59,-2.8 -52,-0.3 -2,-0.6 -55,-0.1 -0.512 38.8 129.7-122.1 54.7 19.1 29.6 31.6 71 79 A V - 0 0 22 -54,-0.1 5,-0.1 -53,-0.1 24,-0.1 -0.904 66.4 -99.1-115.1 141.2 21.3 28.3 28.8 72 80 A P >> - 0 0 83 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.240 44.3-102.4 -56.1 149.3 25.0 29.2 28.2 73 81 A A G >4 S+ 0 0 23 23,-0.3 3,-0.5 1,-0.3 24,-0.1 0.798 117.8 59.4 -42.9 -47.3 25.5 31.9 25.5 74 82 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.839 118.2 33.0 -56.9 -29.5 26.6 29.7 22.7 75 83 A F G <> S+ 0 0 133 -3,-1.8 4,-1.9 1,-0.1 -2,-0.2 0.508 95.3 89.5-103.5 -7.9 23.3 27.8 23.0 76 84 A A H S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.938 110.0 48.7 -56.2 -46.5 20.0 31.7 20.5 78 86 A D H > S+ 0 0 115 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.893 108.5 54.2 -59.2 -40.5 19.0 28.2 19.6 79 87 A A H X S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.893 108.4 50.1 -61.8 -38.8 16.9 27.9 22.8 80 88 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.921 111.1 47.7 -66.0 -43.8 15.1 31.1 21.8 81 89 A Y H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 109.8 53.3 -64.0 -40.5 14.3 29.8 18.3 82 90 A E H X S+ 0 0 67 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.906 112.4 44.7 -61.1 -42.3 13.1 26.5 19.6 83 91 A A H ><>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 3,-0.8 0.949 114.9 46.0 -66.5 -52.8 10.7 28.2 22.0 84 92 A V H ><5S+ 0 0 10 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.939 111.4 52.2 -56.8 -49.3 9.3 30.8 19.5 85 93 A D H 3<5S+ 0 0 103 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.678 104.3 58.6 -62.7 -17.2 8.9 28.1 16.8 86 94 A A T <<5S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.516 123.4-105.5 -89.6 -3.7 6.9 26.0 19.3 87 95 A G T < 5 + 0 0 46 -3,-2.2 2,-0.3 -4,-0.3 -3,-0.2 0.478 65.8 153.2 96.0 1.9 4.4 28.9 19.7 88 96 A I < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 -22,-0.1 -0.514 28.4-161.8 -67.4 128.7 5.5 30.2 23.1 89 97 A R S S+ 0 0 170 -24,-0.5 27,-3.2 -2,-0.3 2,-0.4 0.610 70.6 46.1 -91.1 -17.1 4.6 33.9 23.2 90 98 A L E +de 66 116A 9 -25,-0.7 -23,-2.5 25,-0.2 2,-0.5 -0.972 62.0 178.7-131.5 118.3 6.8 35.1 26.1 91 99 A V E -de 67 117A 0 25,-2.9 27,-2.5 -2,-0.4 2,-0.6 -0.963 11.8-159.5-125.0 117.1 10.5 34.2 26.3 92 100 A V E -de 68 118A 0 -25,-3.2 -23,-3.6 -2,-0.5 2,-0.7 -0.824 6.6-163.1 -94.7 120.9 12.7 35.5 29.2 93 101 A V E +d 69 0A 0 25,-3.2 29,-0.6 -2,-0.6 31,-0.2 -0.893 18.6 169.6-111.1 107.8 16.4 35.3 28.4 94 102 A I + 0 0 16 -25,-1.6 28,-0.4 -2,-0.7 -1,-0.2 0.859 41.9 118.8 -80.1 -36.8 18.6 35.7 31.5 95 103 A T - 0 0 14 -26,-1.0 26,-2.6 26,-0.2 3,-0.3 0.089 47.7-160.2 -37.5 128.8 21.7 34.7 29.6 96 104 A E + 0 0 142 24,-0.2 -23,-0.3 1,-0.2 -1,-0.1 -0.698 64.5 44.3-108.6 159.1 24.4 37.3 29.4 97 105 A G + 0 0 56 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.620 65.9 150.6 84.2 11.9 27.3 37.4 26.9 98 106 A I - 0 0 6 -3,-0.3 -1,-0.2 1,-0.1 5,-0.1 -0.630 56.8-104.6 -79.8 130.9 25.4 36.7 23.7 99 107 A P >> - 0 0 74 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.304 29.5-124.3 -53.4 136.2 27.0 38.4 20.6 100 108 A V H 3> S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.843 108.2 55.2 -52.5 -41.6 24.9 41.4 19.7 101 109 A H H 3> S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 106.7 51.8 -62.4 -36.9 24.3 40.3 16.1 102 110 A D H <> S+ 0 0 50 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.898 111.4 46.5 -66.2 -39.3 22.9 37.0 17.3 103 111 A T H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.887 109.0 54.8 -69.1 -40.1 20.5 38.8 19.7 104 112 A M H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.945 109.9 49.7 -57.9 -44.4 19.5 41.2 16.9 105 113 A R H X S+ 0 0 117 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.924 113.9 40.2 -64.0 -47.1 18.7 38.1 14.8 106 114 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.790 114.3 53.5 -77.8 -19.9 16.5 36.2 17.3 107 115 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 110.7 46.7 -76.0 -39.0 14.8 39.4 18.5 108 116 A N H X S+ 0 0 87 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.910 112.8 50.1 -67.6 -40.0 13.8 40.3 15.0 109 117 A Y H X S+ 0 0 51 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.936 110.6 49.8 -62.4 -45.7 12.6 36.7 14.4 110 118 A A H X>S+ 0 0 1 -4,-2.1 5,-2.9 1,-0.2 4,-0.6 0.917 110.8 49.0 -59.6 -43.7 10.6 36.8 17.6 111 119 A R H ><5S+ 0 0 131 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.905 109.7 53.3 -63.3 -39.3 9.0 40.1 16.5 112 120 A Q H 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.5 44.1 -62.6 -36.1 8.2 38.6 13.1 113 121 A K H 3<5S- 0 0 112 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.417 117.9-106.6 -91.6 0.3 6.5 35.6 14.7 114 122 A G T <<5S+ 0 0 51 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.688 74.2 135.9 83.8 18.3 4.5 37.6 17.3 115 123 A A < - 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k 0 233C 0 26,-2.7 28,-2.4 -2,-0.6 2,-0.3 -0.448 20.8-167.8-120.1-165.6 17.8 53.8 32.2 207 215 A E - 0 0 54 26,-0.3 6,-0.2 2,-0.2 28,-0.2 -0.939 41.1 -49.5-168.3-177.1 21.4 54.5 31.5 208 216 A I S S+ 0 0 92 26,-0.5 32,-0.2 -2,-0.3 3,-0.1 -0.275 89.8 54.8 -68.8 154.3 23.8 55.7 28.8 209 217 A G S S+ 0 0 29 30,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.203 82.6 32.1 98.9 141.3 23.8 54.1 25.3 210 218 A G S S- 0 0 49 1,-0.2 -1,-0.3 28,-0.2 29,-0.1 -0.084 79.8-100.8 72.1-177.9 21.1 53.5 22.7 211 219 A D S > S+ 0 0 59 27,-0.1 4,-2.2 2,-0.1 5,-0.2 0.156 85.2 111.6-126.9 13.0 18.1 55.8 22.1 212 220 A M H > S+ 0 0 29 -3,-0.2 4,-1.2 1,-0.2 -25,-0.2 0.859 79.5 48.0 -58.8 -40.2 15.5 53.8 24.0 213 221 A E H > S+ 0 0 0 -6,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 112.0 50.7 -68.3 -40.0 15.1 56.4 26.8 214 222 A E H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.845 108.9 50.6 -66.0 -34.9 14.8 59.1 24.2 215 223 A R H X S+ 0 0 135 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.778 108.3 53.7 -74.1 -25.0 12.1 57.3 22.3 216 224 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.882 107.8 48.1 -75.1 -40.5 10.2 56.7 25.5 217 225 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.892 111.5 54.3 -64.1 -37.0 10.1 60.5 26.3 218 226 A E H X S+ 0 0 100 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.922 108.9 45.1 -62.0 -48.1 9.0 60.9 22.7 219 227 A M H <>S+ 0 0 8 -4,-2.0 5,-2.1 1,-0.2 6,-0.3 0.831 113.4 51.4 -68.3 -31.2 6.1 58.5 23.0 220 228 A I H ><5S+ 0 0 18 -4,-2.0 3,-2.3 1,-0.2 5,-0.4 0.912 105.4 54.7 -71.0 -42.7 5.1 60.2 26.4 221 229 A K H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.845 102.6 58.7 -58.3 -33.7 5.2 63.7 24.8 222 230 A K T 3<5S- 0 0 143 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.459 120.9-112.3 -74.8 -0.6 2.7 62.4 22.2 223 231 A G T < 5S+ 0 0 46 -3,-2.3 -3,-0.2 2,-0.2 3,-0.2 0.721 78.8 132.2 76.7 21.3 0.4 61.5 25.1 224 232 A E S S- 0 0 72 -32,-0.2 4,-2.1 1,-0.1 -1,-0.4 -0.520 73.4-126.2 -86.4 153.3 24.3 60.5 26.4 241 266 A Y H > S+ 0 0 21 -6,-0.2 4,-2.7 2,-0.2 3,-0.3 0.974 112.8 48.2 -57.4 -55.6 23.3 60.9 30.0 242 267 A E H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.942 111.1 49.1 -49.6 -59.9 22.6 64.6 29.5 243 268 A G H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.819 112.3 48.8 -52.4 -37.1 20.6 64.1 26.4 244 269 A K H X S+ 0 0 0 -4,-2.1 4,-2.7 -3,-0.3 5,-0.3 0.956 112.9 46.0 -70.7 -50.0 18.4 61.4 28.0 245 270 A V H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.968 114.5 47.2 -56.7 -54.4 17.7 63.4 31.1 246 271 A K H X S+ 0 0 148 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.881 112.8 51.8 -54.8 -39.5 16.9 66.6 29.2 247 272 A A H < S+ 0 0 12 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.2 0.924 111.4 43.9 -65.1 -46.8 14.7 64.5 26.9 248 273 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-1.0 0.912 113.2 52.9 -66.2 -41.3 12.6 62.9 29.6 249 274 A R H ><5S+ 0 0 113 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.914 104.9 52.5 -61.9 -44.2 12.3 66.2 31.5 250 275 A E T 3<5S+ 0 0 120 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.607 105.8 58.9 -68.6 -6.3 10.9 68.1 28.5 251 276 A A T < 5S- 0 0 17 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.519 126.8-100.2 -96.1 -8.6 8.4 65.3 28.2 252 277 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.4 -4,-0.4 -23,-0.3 0.660 73.8 145.5 98.1 19.8 7.1 65.9 31.7 253 278 A V < - 0 0 6 -5,-2.1 2,-1.0 -6,-0.1 -1,-0.3 -0.773 51.0-128.9 -95.4 134.4 9.0 63.2 33.5 254 279 A E E -l 230 0C 115 -25,-1.9 -23,-2.3 -2,-0.4 2,-0.5 -0.705 28.7-158.4 -80.7 104.9 10.3 63.7 37.1 255 280 A V E -l 231 0C 12 -2,-1.0 2,-0.3 -25,-0.2 -23,-0.2 -0.750 7.0-138.3 -90.7 130.1 13.9 62.7 36.8 256 281 A A E -l 232 0C 1 -25,-3.1 -23,-0.5 -2,-0.5 6,-0.1 -0.667 5.0-153.0 -87.6 139.6 15.6 61.7 40.0 257 282 A E S S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.2 -21,-0.1 0.869 85.5 17.9 -76.4 -38.1 19.2 62.9 40.7 258 283 A T S > S- 0 0 42 1,-0.1 3,-1.9 -3,-0.1 4,-0.5 -0.931 79.4-116.7-132.1 155.3 19.9 59.9 42.9 259 284 A P G > S+ 0 0 12 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.867 114.7 64.3 -57.9 -34.0 18.2 56.5 43.3 260 285 A F G 3 S+ 0 0 160 1,-0.3 4,-0.4 2,-0.2 -3,-0.0 0.633 96.3 58.6 -64.2 -14.9 17.4 57.5 46.9 261 286 A E G <> S+ 0 0 80 -3,-1.9 4,-1.7 1,-0.1 -1,-0.3 0.625 84.5 81.6 -89.3 -16.1 15.2 60.3 45.5 262 287 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.5 5,-0.2 0.909 84.3 56.1 -58.1 -47.9 12.9 58.0 43.6 263 288 A P H > S+ 0 0 13 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.918 110.4 44.4 -53.6 -46.9 10.6 56.9 46.5 264 289 A E H > S+ 0 0 90 -4,-0.4 4,-1.8 1,-0.2 5,-0.2 0.857 111.0 54.1 -67.5 -34.1 9.7 60.5 47.4 265 290 A L H X S+ 0 0 26 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.893 113.5 43.9 -65.0 -37.5 9.1 61.4 43.7 266 291 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 107.9 56.9 -71.3 -47.6 6.8 58.4 43.5 267 292 A R H < S+ 0 0 100 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.4 43.9 -52.8 -41.4 4.9 59.1 46.8 268 293 A K H < S+ 0 0 161 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.945 109.5 53.9 -70.4 -48.4 4.0 62.6 45.5 269 294 A A H < 0 0 40 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 360.0 360.0 -56.0 -29.3 3.0 61.5 42.0 270 295 A L < 0 0 107 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.862 360.0 360.0 -80.6 360.0 0.7 59.0 43.8