==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-NOV-99 1QO2 . COMPND 2 MOLECULE: . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.WILMANNS,D.LANG,R.THOMA,R.STERNER . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 51 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.5 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 2 5 2 1 3 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 8 3 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 PARALLEL BRIDGES PER LADDER . 0 2 4 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A X 0 0 20 0, 0.0 2,-0.4 0, 0.0 218,-0.2 0.000 360.0 360.0 360.0-178.7 3.0 1.1 39.6 2 2 A L E -a 219 0A 51 216,-2.6 218,-2.2 239,-0.1 2,-0.6 -0.738 360.0-168.2 -92.1 135.5 2.7 -0.2 36.1 3 3 A V E -a 220 0A 6 -2,-0.4 43,-0.3 216,-0.2 218,-0.2 -0.953 17.0-162.2-121.2 104.4 4.5 1.5 33.2 4 4 A V E -a 221 0A 0 216,-3.1 218,-2.4 -2,-0.6 43,-0.2 -0.796 9.1-146.5 -98.1 109.0 3.0 -0.0 30.1 5 5 A P E -a 222 0A 0 0, 0.0 43,-2.9 0, 0.0 2,-0.4 -0.442 21.6-156.7 -68.5 146.8 4.9 0.3 26.8 6 6 A A E +b 48 0A 10 216,-2.1 2,-0.3 41,-0.2 221,-0.2 -0.982 15.9 176.6-131.1 140.4 2.5 0.6 23.9 7 7 A I E -b 49 0A 1 41,-2.6 43,-2.0 -2,-0.4 2,-0.3 -0.996 19.9-140.8-142.0 145.5 2.8 -0.2 20.2 8 8 A D E -bC 50 15A 49 7,-0.9 7,-3.0 -2,-0.3 2,-0.4 -0.809 15.8-150.8-103.0 145.6 0.5 -0.1 17.2 9 9 A L E +bC 51 14A 0 41,-3.0 43,-2.4 -2,-0.3 44,-0.8 -0.967 18.6 170.6-119.6 133.8 0.7 -2.8 14.6 10 10 A F E > S- C 0 13A 2 3,-2.5 3,-1.7 -2,-0.4 41,-0.0 -0.950 71.5 -13.7-146.4 119.9 -0.2 -2.2 10.9 11 11 A R T 3 S- 0 0 91 -2,-0.4 3,-0.1 1,-0.3 51,-0.1 0.891 129.1 -51.8 55.7 43.3 0.4 -4.7 8.1 12 12 A G T 3 S+ 0 0 23 1,-0.2 2,-0.3 20,-0.0 -1,-0.3 0.457 119.1 101.9 76.1 2.2 2.8 -6.7 10.3 13 13 A K E < S-C 10 0A 123 -3,-1.7 -3,-2.5 18,-0.1 2,-0.3 -0.862 81.4-101.6-123.3 154.7 4.9 -3.7 11.3 14 14 A V E +C 9 0A 1 16,-0.7 14,-2.5 14,-0.4 2,-0.3 -0.550 59.6 170.0 -67.0 127.1 5.3 -1.5 14.3 15 15 A A E -CD 8 27A 0 -7,-3.0 -7,-0.9 -2,-0.3 2,-0.3 -0.834 32.3-158.1-139.4 176.3 3.4 1.7 13.3 16 16 A R E - D 0 26A 23 10,-2.0 10,-2.5 -2,-0.3 2,-0.7 -0.925 10.0-151.9-159.3 127.3 2.0 5.0 14.4 17 17 A X E > - D 0 25A 22 -2,-0.3 3,-2.0 8,-0.2 8,-0.2 -0.920 33.5-118.6-105.6 110.8 -0.7 7.2 12.9 18 18 A I G > S- 0 0 12 6,-2.3 3,-2.4 -2,-0.7 6,-0.2 -0.250 87.9 -16.1 -53.5 122.8 -0.1 10.9 13.7 19 19 A K G 3 S- 0 0 140 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.801 124.9 -61.9 48.5 36.2 -2.9 12.3 15.7 20 20 A G G < S+ 0 0 61 -3,-2.0 2,-0.6 1,-0.2 -1,-0.3 0.625 101.4 137.0 70.3 15.0 -5.1 9.4 14.7 21 21 A R X - 0 0 118 -3,-2.4 3,-1.4 3,-0.2 -3,-0.2 -0.846 42.0-161.8 -99.8 118.2 -4.9 10.2 11.0 22 22 A K G > S+ 0 0 122 -2,-0.6 3,-0.6 1,-0.3 -1,-0.1 0.782 89.7 65.9 -66.4 -28.3 -4.4 7.2 8.7 23 23 A E G 3 S+ 0 0 85 1,-0.3 2,-0.3 -5,-0.1 -1,-0.3 0.670 102.3 53.4 -67.7 -13.9 -3.2 9.4 5.8 24 24 A N G < S+ 0 0 50 -3,-1.4 -6,-2.3 -6,-0.2 2,-0.3 -0.571 79.7 152.6-119.7 66.0 -0.3 10.2 8.1 25 25 A T E < -D 17 0A 1 -3,-0.6 246,-1.6 -2,-0.3 2,-0.3 -0.759 21.4-170.1 -99.3 142.0 1.0 6.8 8.9 26 26 A I E -DE 16 270A 0 -10,-2.5 -10,-2.0 -2,-0.3 2,-0.4 -0.944 10.6-145.3-129.6 152.0 4.6 6.0 9.8 27 27 A F E -DE 15 269A 26 242,-3.2 242,-3.4 -2,-0.3 2,-0.3 -0.964 10.7-140.6-120.5 133.0 6.4 2.7 10.2 28 28 A Y E - E 0 268A 15 -14,-2.5 2,-2.0 -2,-0.4 -14,-0.4 -0.724 18.4-127.0 -92.1 139.6 9.2 2.0 12.7 29 29 A E S S+ 0 0 64 238,-3.1 2,-0.3 -2,-0.3 238,-0.3 -0.551 73.1 110.9 -84.3 75.1 12.1 -0.2 11.6 30 30 A K S S- 0 0 69 -2,-2.0 -16,-0.7 -16,-0.1 -2,-0.1 -0.959 72.4-118.8-150.1 127.6 11.8 -2.5 14.6 31 31 A D > - 0 0 73 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.534 21.4-141.3 -67.9 125.1 10.7 -6.2 14.5 32 32 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.862 98.9 47.5 -56.7 -38.0 7.5 -6.4 16.6 33 33 A V H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 112.9 46.5 -71.1 -44.7 8.5 -9.8 18.1 34 34 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.2 53.5 -64.5 -35.7 12.1 -8.8 19.0 35 35 A L H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.957 111.2 43.3 -63.5 -52.1 10.7 -5.5 20.5 36 36 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.905 112.8 53.8 -61.2 -41.4 8.2 -7.3 22.8 37 37 A E H X S+ 0 0 92 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 108.8 49.0 -59.3 -42.6 10.9 -9.9 23.7 38 38 A K H X S+ 0 0 109 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.899 109.8 51.4 -63.9 -42.1 13.2 -7.1 24.8 39 39 A L H <>S+ 0 0 5 -4,-2.2 5,-2.2 2,-0.2 -2,-0.2 0.903 109.3 49.9 -62.3 -42.2 10.5 -5.4 26.8 40 40 A I H ><5S+ 0 0 47 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.912 112.0 49.2 -62.1 -41.3 9.8 -8.7 28.7 41 41 A E H 3<5S+ 0 0 138 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.862 104.7 58.0 -66.3 -36.1 13.5 -9.0 29.3 42 42 A E T 3<5S- 0 0 59 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.424 126.1-100.1 -75.8 3.2 13.8 -5.5 30.6 43 43 A G T < 5S+ 0 0 50 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.440 71.2 146.6 97.4 -1.5 11.2 -6.4 33.2 44 44 A F < - 0 0 8 -5,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.539 23.9-174.3 -72.5 133.0 7.9 -5.0 31.8 45 45 A T + 0 0 91 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.574 68.0 44.2-102.9 -13.3 5.0 -7.2 32.8 46 46 A L - 0 0 12 -43,-0.3 2,-0.4 30,-0.0 30,-0.2 -0.990 61.5-178.0-138.0 127.4 2.2 -5.5 30.8 47 47 A I E - f 0 76A 0 28,-2.5 30,-2.5 -2,-0.4 2,-0.6 -0.986 20.3-138.7-127.3 134.2 2.4 -4.3 27.2 48 48 A H E -bf 6 77A 23 -43,-2.9 -41,-2.6 -2,-0.4 2,-0.4 -0.830 25.2-179.2 -96.0 116.7 -0.4 -2.5 25.2 49 49 A V E -bf 7 78A 0 28,-2.6 30,-2.3 -2,-0.6 2,-0.5 -0.966 9.7-166.3-122.3 130.5 -0.7 -3.7 21.6 50 50 A V E -bf 8 79A 25 -43,-2.0 -41,-3.0 -2,-0.4 2,-1.2 -0.966 14.0-147.3-120.1 123.5 -3.2 -2.3 19.1 51 51 A D E > +b 9 0A 2 28,-2.8 4,-2.0 -2,-0.5 3,-0.2 -0.745 19.9 176.1 -87.8 94.6 -3.9 -4.1 15.8 52 52 A L H >>S+ 0 0 20 -43,-2.4 4,-3.2 -2,-1.2 5,-0.8 0.772 74.6 64.9 -71.4 -27.2 -4.7 -1.2 13.4 53 53 A S H >5S+ 0 0 0 -44,-0.8 6,-2.6 2,-0.2 4,-1.1 0.906 110.6 37.3 -62.5 -39.6 -5.0 -3.6 10.5 54 54 A N H >5S+ 0 0 21 4,-0.3 4,-0.9 -3,-0.2 -2,-0.2 0.909 120.3 47.3 -76.7 -42.5 -8.1 -5.1 12.1 55 55 A A H <5S+ 0 0 50 -4,-2.0 -2,-0.2 2,-0.1 -3,-0.2 0.913 128.2 20.9 -65.5 -45.3 -9.4 -1.9 13.5 56 56 A I H <5S+ 0 0 71 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.816 137.1 25.4 -96.6 -36.4 -9.0 0.3 10.4 57 57 A E H < + 0 0 42 -2,-0.3 3,-2.4 1,-0.2 -6,-0.1 0.216 62.1 118.6 -96.5 14.9 -6.2 -10.1 9.5 61 61 A E T 3 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.736 73.5 53.2 -52.3 -27.2 -2.7 -9.2 8.3 62 62 A N T 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.509 81.7 92.3 -89.0 -4.2 -1.5 -8.9 11.9 63 63 A L H <> S+ 0 0 29 -3,-2.4 4,-2.2 1,-0.2 5,-0.2 0.917 82.1 53.8 -57.0 -46.8 -2.7 -12.4 13.0 64 64 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.900 111.7 45.5 -56.8 -38.3 0.6 -14.1 12.2 65 65 A V H > S+ 0 0 19 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.909 112.1 51.3 -69.2 -42.2 2.5 -11.6 14.4 66 66 A L H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.798 109.4 51.1 -65.6 -27.0 -0.1 -11.9 17.1 67 67 A E H < S+ 0 0 97 -4,-2.2 3,-0.5 -5,-0.2 4,-0.2 0.854 110.1 48.7 -77.8 -33.2 0.3 -15.7 17.0 68 68 A K H >< S+ 0 0 130 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.800 112.7 49.5 -73.4 -26.5 4.1 -15.3 17.3 69 69 A L G >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.2 4,-0.2 0.520 82.6 92.3 -87.8 -5.9 3.4 -12.9 20.2 70 70 A S G > S+ 0 0 44 -3,-0.5 3,-1.1 -4,-0.3 4,-0.3 0.754 71.8 73.6 -59.7 -21.2 1.0 -15.4 21.9 71 71 A E G < S+ 0 0 145 -3,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.763 108.4 31.6 -62.3 -24.4 4.1 -16.6 23.8 72 72 A F G X S+ 0 0 18 -3,-2.5 3,-2.7 1,-0.1 -1,-0.3 0.216 83.7 121.9-116.6 12.0 3.9 -13.4 25.8 73 73 A A G X + 0 0 4 -3,-1.1 3,-1.6 1,-0.3 24,-0.4 0.721 65.4 64.9 -49.2 -30.3 0.1 -13.0 25.7 74 74 A E G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.744 106.8 45.0 -67.8 -19.6 -0.2 -13.1 29.5 75 75 A H G < S+ 0 0 60 -3,-2.7 -28,-2.5 -29,-0.1 2,-0.4 0.169 103.8 82.7-106.9 15.3 1.8 -9.8 29.5 76 76 A I E < -f 47 0A 2 -3,-1.6 2,-0.6 -30,-0.2 22,-0.6 -0.972 54.9-163.0-127.3 133.7 -0.2 -8.2 26.6 77 77 A Q E -fg 48 98A 0 -30,-2.5 -28,-2.6 -2,-0.4 2,-0.4 -0.970 25.8-155.9-110.2 122.4 -3.5 -6.4 26.5 78 78 A I E +fg 49 99A 2 20,-2.0 22,-3.0 -2,-0.6 2,-0.3 -0.826 18.6 168.0-107.5 140.2 -4.7 -6.3 22.9 79 79 A G E +f 50 0A 2 -30,-2.3 -28,-2.8 -2,-0.4 -24,-0.1 -0.826 21.4 111.0-136.0 174.8 -7.1 -3.9 21.2 80 80 A G S S- 0 0 13 20,-0.5 3,-0.1 -2,-0.3 -26,-0.1 0.643 91.6 -16.3 119.4 84.9 -8.1 -3.1 17.6 81 81 A G S S+ 0 0 32 1,-0.2 2,-1.6 -26,-0.1 3,-0.1 0.752 72.7 160.7 70.2 24.6 -11.6 -3.8 16.2 82 82 A I + 0 0 7 18,-0.4 20,-0.3 1,-0.2 22,-0.2 -0.634 19.3 134.5 -80.8 90.9 -12.6 -6.3 18.9 83 83 A R + 0 0 105 -2,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.268 52.2 56.6-122.9 7.7 -16.4 -6.0 18.2 84 84 A S S > S- 0 0 51 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.983 71.0-129.8-141.9 153.5 -17.5 -9.6 18.2 85 85 A L H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.845 108.0 59.7 -69.0 -33.8 -17.5 -12.6 20.6 86 86 A D H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 109.1 43.1 -60.6 -43.7 -16.1 -14.8 17.9 87 87 A Y H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 112.3 52.7 -70.6 -38.3 -13.0 -12.6 17.5 88 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.917 108.7 51.4 -62.3 -41.1 -12.6 -12.2 21.3 89 89 A E H X S+ 0 0 97 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.877 108.0 52.4 -62.7 -38.3 -12.7 -16.0 21.6 90 90 A K H X S+ 0 0 94 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.945 112.2 44.0 -64.0 -47.4 -10.0 -16.4 19.0 91 91 A L H <>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.2 3,-0.3 0.892 112.4 53.0 -64.6 -39.4 -7.7 -13.9 20.7 92 92 A R H ><5S+ 0 0 76 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.866 103.4 56.8 -64.6 -35.2 -8.4 -15.5 24.1 93 93 A K H 3<5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 103.9 55.1 -62.6 -31.0 -7.5 -18.9 22.6 94 94 A L T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.3 -21,-0.3 0.470 130.1 -98.9 -80.1 -2.3 -4.1 -17.3 21.8 95 95 A G T < 5S+ 0 0 26 -3,-1.6 2,-1.3 1,-0.2 -3,-0.2 0.402 78.7 138.4 101.8 -3.0 -3.8 -16.3 25.4 96 96 A Y < + 0 0 0 -5,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.643 13.6 160.2 -81.6 97.1 -4.9 -12.7 25.3 97 97 A R + 0 0 101 -2,-1.3 24,-3.0 -24,-0.4 2,-0.7 0.845 59.9 65.6 -84.5 -38.6 -7.0 -12.5 28.4 98 98 A R E S+gh 77 121A 37 -22,-0.6 -20,-2.0 -25,-0.3 2,-0.4 -0.795 70.1 179.7 -89.2 115.0 -6.9 -8.7 28.7 99 99 A Q E -gh 78 122A 0 22,-1.8 24,-2.8 -2,-0.7 2,-0.5 -0.970 23.5-137.0-123.7 132.1 -8.8 -7.2 25.7 100 100 A I E + h 0 123A 16 -22,-3.0 -20,-0.5 -2,-0.4 -18,-0.4 -0.722 32.3 170.3 -86.0 125.7 -9.3 -3.5 24.9 101 101 A V E + h 0 124A 4 22,-2.1 24,-2.6 -2,-0.5 -18,-0.1 -0.937 13.5 143.9-135.4 158.6 -12.8 -2.7 23.7 102 102 A S >> + 0 0 24 -20,-0.3 4,-1.6 -2,-0.3 3,-0.6 0.208 64.6 41.5-151.5 -82.4 -14.8 0.5 23.1 103 103 A S H 3> S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.854 112.6 55.5 -53.0 -41.3 -17.4 1.1 20.3 104 104 A K H 3> S+ 0 0 49 -22,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.882 106.4 51.9 -61.6 -37.5 -19.0 -2.3 20.6 105 105 A V H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 108.3 50.8 -66.8 -35.7 -19.6 -1.7 24.3 106 106 A L H < S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 115.7 42.7 -69.8 -32.7 -21.3 1.6 23.6 107 107 A E H < S+ 0 0 113 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 136.6 10.8 -78.9 -40.9 -23.5 -0.1 21.1 108 108 A D >< - 0 0 61 -4,-3.0 3,-2.3 -5,-0.2 -1,-0.3 -0.758 62.1-173.3-143.2 90.0 -24.2 -3.1 23.2 109 109 A P T > S+ 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.710 81.9 74.1 -58.1 -20.0 -23.1 -2.9 26.9 110 110 A S T 3> S+ 0 0 49 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.685 76.4 81.8 -67.4 -14.2 -24.1 -6.6 27.4 111 111 A F H <> S+ 0 0 5 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.864 83.5 61.0 -56.6 -36.6 -20.9 -7.3 25.4 112 112 A L H <> S+ 0 0 0 -3,-1.4 4,-1.5 -4,-0.2 -1,-0.2 0.909 106.5 42.9 -57.7 -46.0 -19.0 -6.8 28.6 113 113 A K H > S+ 0 0 106 -4,-0.5 4,-1.4 -3,-0.4 -1,-0.2 0.886 111.1 56.0 -68.3 -40.6 -20.7 -9.7 30.4 114 114 A S H < S+ 0 0 28 -4,-2.1 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112.8 49.6 -61.7 -47.9 -12.6 9.2 37.3 184 184 A A H X>S+ 0 0 0 -4,-2.7 5,-1.2 -5,-0.2 4,-0.9 0.951 119.0 36.4 -56.0 -54.2 -10.8 6.6 39.3 185 185 A I H <5S+ 0 0 80 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.929 120.9 42.8 -68.0 -49.4 -12.3 7.6 42.6 186 186 A E H <5S+ 0 0 103 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.878 123.9 34.9 -69.8 -38.7 -15.8 8.6 41.6 187 187 A A H <5S- 0 0 4 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.637 101.3-136.8 -88.2 -14.2 -16.5 5.7 39.3 188 188 A E T <5 + 0 0 137 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.960 53.6 139.7 56.3 56.6 -14.5 3.4 41.5 189 189 A V < - 0 0 2 -5,-1.2 2,-0.3 -6,-0.3 -1,-0.2 -0.903 59.5-106.6-127.8 155.5 -12.7 1.7 38.5 190 190 A K E -k 160 0A 95 -31,-2.4 -29,-2.6 -2,-0.3 2,-0.4 -0.661 44.9-161.6 -81.2 136.4 -9.2 0.6 37.9 191 191 A V E -kl 161 217A 0 25,-3.2 27,-2.3 -2,-0.3 28,-1.0 -0.956 27.5-164.4-131.6 142.0 -7.4 2.9 35.5 192 192 A L E -kl 162 219A 0 -31,-1.3 -29,-2.6 -2,-0.4 2,-0.3 -0.993 30.9-138.3-117.0 116.7 -4.4 3.0 33.2 193 193 A A E +kl 163 220A 0 26,-2.4 28,-2.7 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195 B G S S+ 0 0 9 26,-0.4 -30,-0.2 -2,-0.3 3,-0.1 0.542 100.9 31.3 85.1 124.0 17.6 21.7 14.4 438 196 B G S S+ 0 0 1 1,-0.2 -21,-2.5 -22,-0.1 2,-1.1 0.771 73.6 139.5 70.0 25.0 14.9 22.7 17.0 439 197 B I + 0 0 5 -23,-0.2 28,-0.4 24,-0.2 -1,-0.2 -0.720 26.7 118.4 -99.6 81.5 12.7 24.4 14.4 440 198 B S + 0 0 29 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.354 54.1 54.6-132.9 9.4 9.4 23.1 15.7 441 199 B S S > S- 0 0 24 -3,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.953 75.8-118.2-141.0 160.7 7.2 26.0 16.8 442 200 B E H > S+ 0 0 61 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.813 116.8 64.0 -66.5 -25.6 5.7 29.2 15.4 443 201 B N H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 99.4 50.3 -63.6 -40.0 7.7 30.8 18.1 444 202 B S H > S+ 0 0 1 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.853 109.7 51.2 -67.1 -33.5 11.0 29.6 16.6 445 203 B L H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.848 108.7 51.7 -70.8 -33.8 9.8 31.0 13.2 446 204 B K H X S+ 0 0 104 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.911 111.2 46.6 -68.0 -43.1 9.1 34.4 14.8 447 205 B T H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.929 111.9 51.4 -64.3 -45.0 12.6 34.5 16.4 448 206 B A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.933 107.7 52.4 -57.1 -47.7 14.1 33.5 13.0 449 207 B Q H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.861 109.3 50.7 -57.5 -36.9 12.2 36.2 11.3 450 208 B K H X S+ 0 0 116 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.918 113.5 42.9 -67.9 -44.2 13.6 38.7 13.8 451 209 B V H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 8,-0.3 0.850 109.4 58.9 -69.8 -33.6 17.2 37.6 13.3 452 210 B H H <>S+ 0 0 38 -4,-3.0 5,-3.1 -5,-0.2 6,-0.2 0.920 112.3 40.5 -58.7 -44.6 16.6 37.5 9.6 453 211 B T H ><5S+ 0 0 91 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.927 113.4 53.2 -70.2 -46.4 15.7 41.2 9.8 454 212 B E H 3<5S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 113.1 43.1 -58.3 -37.7 18.5 42.1 12.3 455 213 B T T ><5S- 0 0 16 -4,-2.6 3,-2.2 -5,-0.1 -1,-0.3 0.180 112.6-119.7 -94.7 17.0 21.2 40.5 10.1 456 214 B N T < 5S- 0 0 153 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.833 78.3 -44.2 47.0 39.1 19.7 42.1 7.0 457 215 B G T 3 > + 0 0 20 -2,-0.7 4,-2.7 -218,-0.2 3,-1.0 0.692 67.5 27.3-111.0 -87.3 12.3 18.8 9.1 466 224 B R H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 6,-0.3 0.904 124.7 48.6 -46.1 -54.0 11.0 16.8 12.0 467 225 B A H 34>S+ 0 0 1 -28,-0.4 6,-2.5 1,-0.2 5,-1.3 0.756 113.6 49.0 -61.5 -26.1 8.3 19.3 12.9 468 226 B F H X45S+ 0 0 26 -3,-1.0 3,-1.3 3,-0.2 -2,-0.2 0.949 113.3 43.3 -77.2 -54.2 7.2 19.4 9.2 469 227 B L H 3<5S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.816 116.3 49.7 -61.6 -31.4 7.0 15.6 8.7 470 228 B E T 3<5S- 0 0 8 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.487 110.5-121.4 -87.4 -3.7 5.3 15.2 12.1 471 229 B G T < 5S+ 0 0 28 -3,-1.3 -3,-0.2 2,-0.3 3,-0.2 0.643 77.6 125.1 73.7 13.3 2.8 17.9 11.3 472 230 B I S - 0 0 56 -2,-0.6 4,-2.5 -3,-0.2 5,-0.1 -0.365 18.3-120.4 -73.7 153.6 1.8 23.0 9.3 475 233 B V H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.785 115.2 59.3 -63.0 -26.3 2.7 24.1 5.7 476 234 B E H > S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 108.3 41.6 -67.7 -46.3 0.2 26.9 6.1 477 235 B V H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.879 116.1 52.7 -67.4 -35.7 2.1 28.3 9.1 478 236 B X H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.951 109.2 46.2 -64.7 -50.4 5.3 27.7 7.3 479 237 B K H >< S+ 0 0 75 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.844 106.6 60.5 -63.6 -31.4 4.3 29.5 4.1 480 238 B R H >< S+ 0 0 157 -4,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.888 107.3 44.7 -63.3 -37.6 3.0 32.4 6.1 481 239 B Y T 3< S+ 0 0 33 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.485 102.4 66.8 -84.5 -1.6 6.5 32.9 7.6 482 240 B A T < 0 0 29 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.351 360.0 360.0 -95.2 2.8 8.0 32.5 4.1 483 241 B R < 0 0 133 -3,-0.9 -3,-0.1 -4,-0.1 -2,-0.1 0.906 360.0 360.0 41.3 360.0 6.2 35.8 3.2