==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-AUG-09 3IJL . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,T.LUKK,J.A.GERLT,S.C.ALMO . 676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 4 0 0 0 4 3 3 1 1 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 0 6 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 . 6 0 2 0 4 0 0 2 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 . 2 4 0 0 0 0 0 2 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 47 A K 0 0 126 0, 0.0 32,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.7 16.4 -3.9 19.6 2 48 A M E +A 32 0A 29 30,-0.2 2,-0.3 61,-0.1 30,-0.2 -0.932 360.0 177.5-113.6 127.7 17.4 -1.4 17.0 3 49 A T E +A 31 0A 84 28,-2.7 28,-2.8 -2,-0.5 2,-0.3 -0.876 3.7 176.8-122.2 156.3 15.1 1.3 15.7 4 50 A F E +A 30 0A 45 -2,-0.3 26,-0.2 26,-0.2 38,-0.0 -0.992 6.7 175.8-159.2 152.9 15.8 4.1 13.2 5 51 A F E -A 29 0A 73 24,-1.9 24,-2.7 -2,-0.3 2,-0.1 -0.991 37.7 -92.1-159.0 152.6 14.1 7.0 11.4 6 52 A P E +A 28 0A 66 0, 0.0 22,-0.3 0, 0.0 2,-0.2 -0.424 35.9 177.8 -68.9 142.2 14.9 9.9 9.0 7 53 A Y - 0 0 56 20,-3.4 2,-0.1 -2,-0.1 18,-0.0 -0.661 18.1-149.6-147.5 84.2 15.8 13.2 10.7 8 54 A E - 0 0 85 -2,-0.2 2,-0.4 18,-0.1 36,-0.0 -0.317 15.9-130.6 -60.4 130.9 16.7 15.9 8.1 9 55 A L E -C 25 0B 0 16,-3.0 16,-2.1 273,-0.1 2,-0.6 -0.677 13.1-144.7 -85.1 135.1 19.2 18.4 9.5 10 56 A K E -C 24 0B 92 -2,-0.4 300,-2.9 14,-0.2 301,-0.5 -0.894 14.6-142.5-101.7 118.6 18.2 22.1 9.0 11 57 A L E -D 309 0C 18 12,-2.4 298,-0.3 -2,-0.6 3,-0.1 -0.556 10.0-135.9 -82.2 146.2 21.2 24.3 8.4 12 58 A R E S+ 0 0 108 296,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.785 86.5 1.3 -68.8 -27.8 21.4 27.8 9.9 13 59 A H E S- 0 0 146 295,-0.4 -1,-0.1 9,-0.1 2,-0.1 -0.945 99.4 -64.6-152.1 168.5 22.6 29.2 6.6 14 60 A V E - 0 0 96 -2,-0.3 2,-0.5 -3,-0.1 9,-0.2 -0.393 51.4-156.7 -60.4 130.1 23.5 28.1 3.0 15 61 A F E -C 22 0B 14 7,-3.2 7,-2.2 -2,-0.1 2,-0.5 -0.952 6.7-162.8-115.3 129.8 26.5 25.7 3.2 16 62 A T E -C 21 0B 50 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.945 15.0-177.9-122.9 129.5 28.8 25.2 0.2 17 63 A V E > S-C 20 0B 12 3,-2.8 3,-2.7 -2,-0.5 2,-0.6 -0.975 73.1 -48.4-120.3 112.9 31.3 22.5 -0.6 18 64 A A T 3 S- 0 0 56 -2,-0.5 136,-0.0 1,-0.3 -2,-0.0 -0.472 125.9 -21.8 62.8-110.6 33.1 23.1 -3.9 19 65 A T T 3 S+ 0 0 143 -2,-0.6 2,-0.7 -3,-0.0 -1,-0.3 0.369 118.5 97.3-110.3 1.9 30.2 23.9 -6.2 20 66 A Y E < -C 17 0B 92 -3,-2.7 -3,-2.8 2,-0.0 2,-0.3 -0.837 50.2-176.7-100.8 114.6 27.5 22.2 -4.2 21 67 A S E +C 16 0B 62 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.807 8.2 165.9-106.9 147.3 25.4 24.5 -2.0 22 68 A R E -C 15 0B 14 -7,-2.2 -7,-3.2 -2,-0.3 -9,-0.1 -0.984 34.8-157.6-155.8 162.7 22.6 23.3 0.4 23 69 A T E S+ 0 0 77 -2,-0.3 -12,-2.4 -9,-0.2 2,-0.3 0.349 82.3 37.2-122.8 -1.5 20.5 24.3 3.3 24 70 A T E -C 10 0B 41 -14,-0.2 -14,-0.2 -9,-0.1 -1,-0.1 -0.945 64.4-145.8-145.6 164.1 19.6 20.9 4.7 25 71 A T E -C 9 0B 0 -16,-2.1 -16,-3.0 -2,-0.3 -18,-0.1 -0.967 21.1-124.0-140.0 121.7 21.2 17.5 5.1 26 72 A P + 0 0 26 0, 0.0 19,-2.9 0, 0.0 2,-0.3 -0.374 43.3 168.1 -60.1 141.0 19.6 14.0 4.9 27 73 A D E - B 0 44A 0 17,-0.2 -20,-3.4 256,-0.0 2,-0.4 -0.989 27.2-150.4-156.7 148.6 20.3 12.2 8.2 28 74 A V E -AB 6 43A 0 15,-2.7 15,-2.5 -2,-0.3 2,-0.4 -0.996 12.6-147.4-128.8 128.6 19.1 9.0 9.9 29 75 A Q E -AB 5 42A 1 -24,-2.7 -24,-1.9 -2,-0.4 2,-0.3 -0.798 15.9-162.7 -97.3 134.8 18.9 8.6 13.7 30 76 A V E -AB 4 41A 1 11,-2.5 11,-3.1 -2,-0.4 2,-0.4 -0.899 9.3-171.5-121.0 146.6 19.5 5.2 15.2 31 77 A E E -AB 3 40A 44 -28,-2.8 -28,-2.7 -2,-0.3 2,-0.5 -0.996 3.8-168.1-138.0 130.5 18.7 3.7 18.7 32 78 A I E -AB 2 39A 7 7,-2.3 7,-2.8 -2,-0.4 2,-0.4 -0.978 12.3-161.6-120.2 121.5 19.8 0.4 20.1 33 79 A E E + B 0 38A 72 -32,-3.0 2,-0.3 -2,-0.5 5,-0.2 -0.847 14.0 171.4-108.2 139.5 18.2 -0.8 23.3 34 80 A Y E > S- B 0 37A 70 3,-2.6 3,-2.3 -2,-0.4 -2,-0.0 -0.924 71.7 -25.0-147.9 116.9 19.4 -3.4 25.7 35 81 A E T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.867 127.7 -45.6 46.5 46.7 17.9 -4.2 29.1 36 82 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.362 116.2 112.8 84.0 -6.7 16.5 -0.7 29.4 37 83 A V E < -B 34 0A 42 -3,-2.3 -3,-2.6 2,-0.0 2,-0.4 -0.837 51.7-154.4-102.6 137.4 19.6 1.1 28.3 38 84 A T E -B 33 0A 34 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.937 5.8-159.8-118.6 131.8 19.7 3.0 25.0 39 85 A G E -B 32 0A 0 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.5 -0.894 16.7-140.9-106.0 135.7 22.6 3.8 22.7 40 86 A Y E +B 31 0A 21 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.840 23.8 172.6-103.0 131.2 22.3 6.6 20.2 41 87 A G E -B 30 0A 0 -11,-3.1 -11,-2.5 -2,-0.5 2,-0.3 -0.818 9.5-162.1-129.0 169.9 23.7 6.5 16.7 42 88 A E E -B 29 0A 0 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.993 13.7-159.8-157.8 145.0 23.5 8.6 13.6 43 89 A A E -B 28 0A 0 -15,-2.5 -15,-2.7 -2,-0.3 2,-0.5 -0.996 14.7-166.2-123.6 127.6 24.1 8.6 9.9 44 90 A S E -B 27 0A 1 -2,-0.4 -17,-0.2 -17,-0.2 7,-0.1 -0.974 1.6-166.3-116.6 131.0 24.6 11.9 8.1 45 91 A M - 0 0 2 -19,-2.9 8,-0.1 -2,-0.5 5,-0.1 -0.671 9.3-164.8-123.5 80.8 24.5 12.0 4.3 46 92 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 5,-0.4 -0.455 34.5-124.2 -58.2 125.8 25.7 15.1 2.4 47 93 A P G > S+ 0 0 50 0, 0.0 3,-1.6 0, 0.0 -22,-0.0 0.814 105.8 58.6 -41.6 -45.3 24.1 14.4 -1.0 48 94 A Y G 3 S+ 0 0 91 1,-0.3 -3,-0.0 2,-0.1 -28,-0.0 0.542 92.4 71.7 -68.6 -4.6 27.4 14.5 -3.0 49 95 A L G < S- 0 0 81 -3,-2.6 -1,-0.3 2,-0.2 3,-0.1 0.398 109.7-112.3 -92.3 3.4 28.8 11.7 -0.9 50 96 A G S < S+ 0 0 66 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.125 79.2 102.2 95.5 -23.9 26.6 9.0 -2.5 51 97 A E - 0 0 25 -5,-0.4 2,-0.3 -7,-0.1 -1,-0.2 -0.574 43.6-176.0 -96.4 162.5 24.2 7.9 0.3 52 98 A T > - 0 0 63 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.889 44.9 -96.0-144.6 173.1 20.6 8.9 0.8 53 99 A V H > S+ 0 0 50 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.926 126.1 50.7 -59.6 -42.5 17.8 8.4 3.3 54 100 A E H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 111.2 45.5 -61.0 -48.8 16.6 5.6 1.1 55 101 A S H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 116.9 45.3 -63.8 -41.0 20.0 3.8 0.9 56 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.923 113.9 47.4 -69.6 -45.1 20.5 4.2 4.7 57 103 A M H X S+ 0 0 30 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.916 113.7 49.3 -62.7 -41.6 17.0 3.1 5.7 58 104 A N H < S+ 0 0 80 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.870 111.9 48.2 -66.0 -37.1 17.3 0.1 3.3 59 105 A F H >X S+ 0 0 2 -4,-1.9 3,-2.0 -5,-0.2 4,-0.7 0.952 110.0 51.0 -67.8 -48.3 20.7 -0.9 4.7 60 106 A L H >< S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.835 101.8 62.5 -58.1 -32.2 19.5 -0.6 8.3 61 107 A K T 3< S+ 0 0 120 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.678 99.5 56.0 -67.1 -16.4 16.6 -2.8 7.5 62 108 A K T <4 S+ 0 0 115 -3,-2.0 2,-0.5 -4,-0.4 -1,-0.3 0.660 86.1 99.6 -87.5 -19.0 19.0 -5.6 6.6 63 109 A V << - 0 0 16 -3,-1.0 2,-0.7 -4,-0.7 3,-0.1 -0.577 53.3-167.8 -77.0 121.4 20.7 -5.5 10.0 64 110 A N + 0 0 70 -2,-0.5 3,-0.1 1,-0.1 -3,-0.1 -0.883 22.7 156.0-109.8 99.5 19.6 -8.1 12.5 65 111 A L > + 0 0 16 -2,-0.7 3,-1.5 1,-0.1 -1,-0.1 0.547 63.0 78.4 -97.5 -10.3 20.9 -7.2 15.9 66 112 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.774 85.2 62.6 -68.1 -23.7 18.2 -9.3 17.7 67 113 A Q T 3 S+ 0 0 113 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.555 93.9 76.4 -76.4 -8.2 20.2 -12.4 16.9 68 114 A F < + 0 0 58 -3,-1.5 -3,-0.0 1,-0.1 -1,-0.0 -0.923 55.5 179.7-106.8 123.5 23.0 -10.9 19.1 69 115 A S + 0 0 103 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.470 68.6 60.0-101.3 -3.1 22.4 -11.1 22.8 70 116 A D > - 0 0 59 1,-0.1 3,-1.8 3,-0.1 -1,-0.2 -0.916 58.1-166.3-131.2 106.5 25.6 -9.4 24.0 71 117 A P T 3 S+ 0 0 8 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.682 85.3 72.8 -63.7 -17.1 26.3 -5.8 22.9 72 118 A F T 3 S+ 0 0 87 1,-0.2 2,-1.8 2,-0.1 3,-0.4 0.566 70.2 92.7 -74.6 -6.8 30.0 -6.1 24.0 73 119 A Q <> + 0 0 79 -3,-1.8 4,-3.0 1,-0.2 5,-0.3 -0.284 47.3 148.1 -81.1 52.8 30.6 -8.3 21.0 74 120 A L H > + 0 0 9 -2,-1.8 4,-2.5 1,-0.2 5,-0.3 0.870 65.4 52.5 -58.1 -41.1 31.6 -5.3 18.9 75 121 A E H > S+ 0 0 89 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.963 116.9 37.6 -60.2 -52.6 34.2 -7.2 16.8 76 122 A D H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 119.0 48.0 -65.8 -46.7 31.6 -9.8 15.7 77 123 A I H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.945 115.4 42.5 -62.4 -49.9 28.7 -7.5 15.4 78 124 A L H X S+ 0 0 23 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.776 111.7 55.0 -71.1 -24.3 30.4 -4.8 13.4 79 125 A S H X S+ 0 0 74 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.913 110.9 47.0 -70.2 -41.9 32.1 -7.4 11.2 80 126 A Y H X S+ 0 0 50 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.939 111.1 51.0 -62.4 -48.3 28.7 -8.8 10.5 81 127 A V H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 4,-0.2 0.919 109.9 49.5 -57.4 -44.4 27.3 -5.3 9.8 82 128 A D H >< S+ 0 0 53 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.862 103.2 61.8 -64.4 -33.9 30.1 -4.5 7.3 83 129 A S H 3< S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.633 85.3 77.6 -68.0 -14.3 29.6 -7.8 5.5 84 130 A L T << S- 0 0 50 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.671 108.8 -0.5 -71.5 -18.3 26.0 -6.8 4.5 85 131 A S < - 0 0 17 -3,-1.3 -1,-0.1 -4,-0.2 -26,-0.0 -0.985 66.8-112.5-163.7 163.7 27.2 -4.5 1.7 86 132 A P S S- 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.876 98.8 -10.2 -70.3 -39.4 30.3 -3.1 -0.1 87 133 A K + 0 0 154 -3,-0.1 -2,-0.1 1,-0.1 5,-0.1 0.277 65.0 131.1-125.4-111.1 29.8 0.5 1.1 88 134 A D > + 0 0 34 1,-0.1 4,-2.3 3,-0.1 5,-0.2 0.891 35.7 166.0 49.9 43.5 27.0 2.3 2.9 89 135 A T H > + 0 0 18 1,-0.2 4,-2.1 2,-0.2 168,-0.2 0.799 67.8 51.3 -62.2 -31.5 29.6 3.6 5.3 90 136 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 110.8 48.2 -72.1 -42.1 27.4 6.3 6.9 91 137 A A H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.916 114.0 47.7 -62.2 -41.8 24.6 3.7 7.6 92 138 A K H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.889 107.1 56.3 -66.5 -38.9 27.2 1.4 9.1 93 139 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 166,-0.3 0.874 101.2 58.9 -60.6 -36.6 28.7 4.2 11.2 94 140 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.902 107.7 44.3 -60.2 -42.8 25.2 4.8 12.7 95 141 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.2 -1,-0.2 0.924 113.9 51.2 -67.3 -44.0 25.1 1.3 14.0 96 142 A D H X S+ 0 0 2 -4,-2.2 4,-2.4 161,-0.2 5,-0.2 0.941 110.7 47.7 -58.3 -49.3 28.7 1.5 15.3 97 143 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -57,-0.2 0.936 112.2 48.8 -60.4 -46.8 28.1 4.8 17.1 98 144 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.896 111.7 50.3 -60.0 -41.1 24.9 3.5 18.8 99 145 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.889 111.0 47.9 -66.1 -39.9 26.7 0.3 19.9 100 146 A H H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.908 111.0 51.0 -67.7 -39.1 29.6 2.2 21.4 101 147 A D H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.949 113.2 46.5 -61.7 -45.3 27.2 4.6 23.2 102 148 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.938 113.9 46.4 -60.9 -50.5 25.4 1.5 24.6 103 149 A V H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.906 111.9 51.1 -60.8 -43.6 28.5 -0.3 25.6 104 150 A G H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-1.1 0.888 110.3 50.1 -61.8 -38.6 30.0 2.8 27.2 105 151 A K H <5S+ 0 0 61 -4,-2.1 -1,-0.2 225,-0.2 -2,-0.2 0.879 109.2 50.9 -67.2 -37.0 26.8 3.3 29.2 106 152 A L H <5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.4 43.4 -69.8 -29.0 26.8 -0.4 30.3 107 153 A L H <5S- 0 0 96 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.596 108.3-127.3 -88.8 -14.8 30.4 0.1 31.5 108 154 A G T <5S+ 0 0 52 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.859 72.4 102.8 70.8 35.4 29.7 3.5 33.0 109 155 A A S > -e 331 0D 6 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.489 35.5-114.5 -78.6 155.0 33.0 7.5 28.2 111 157 A W H 3> S+ 0 0 18 220,-2.1 4,-2.7 1,-0.2 6,-0.2 0.802 113.1 63.1 -64.0 -27.6 35.0 6.1 25.3 112 158 A Y H 34>S+ 0 0 22 219,-0.3 5,-3.2 1,-0.2 -1,-0.2 0.896 110.0 43.2 -62.3 -33.5 37.9 8.6 25.7 113 159 A K H X45S+ 0 0 136 -3,-0.7 3,-1.1 3,-0.2 -2,-0.2 0.878 111.4 52.0 -76.9 -40.6 38.4 6.9 29.1 114 160 A I H 3<5S+ 0 0 60 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.4 50.3 -62.6 -37.7 37.9 3.4 27.9 115 161 A W T 3<5S- 0 0 41 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.480 118.4-116.6 -78.9 -3.2 40.6 4.1 25.2 116 162 A G T < 5 + 0 0 64 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.767 62.0 149.7 75.1 29.4 42.9 5.4 28.0 117 163 A L < - 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0 0 0 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.303 54.0 -90.8 -79.3 176.0 17.8 32.7 23.9 622 331 B S H > S+ 0 0 4 29,-0.3 4,-2.0 1,-0.2 32,-0.4 0.593 118.6 76.9 -67.5 -7.5 21.5 32.9 24.8 623 332 B C H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.998 105.1 28.9 -64.0 -64.0 21.3 36.7 24.4 624 333 B A H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.854 120.3 56.1 -66.6 -34.0 19.5 37.4 27.7 625 334 B I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.941 110.6 43.4 -64.3 -46.0 21.0 34.3 29.4 626 335 B S H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.862 110.6 56.8 -67.2 -35.5 24.6 35.5 28.7 627 336 B A H >< S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.2 4,-0.3 0.945 111.1 42.3 -60.1 -48.5 23.7 39.0 29.7 628 337 B A H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.866 107.0 63.0 -66.8 -34.7 22.6 37.9 33.1 629 338 B S H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.748 84.2 78.6 -62.3 -22.8 25.6 35.6 33.4 630 339 B Q T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.760 103.3 33.9 -59.8 -26.5 27.9 38.6 33.2 631 340 B F T X S+ 0 0 0 -3,-1.6 3,-2.0 -4,-0.3 -1,-0.3 0.350 87.6 104.7-109.6 8.8 27.2 39.3 36.9 632 341 B S G X + 0 0 0 -3,-1.3 3,-1.9 -4,-0.3 -2,-0.1 0.738 63.4 74.6 -61.1 -23.6 26.9 35.7 38.0 633 342 B P G 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 -178,-0.1 0.725 96.5 53.0 -63.2 -13.2 30.3 35.7 39.7 634 343 B A G < S+ 0 0 19 -3,-2.0 2,-0.2 -180,-0.0 -2,-0.2 0.415 95.4 89.3 -99.0 1.1 28.6 37.7 42.4 635 344 B V < - 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0 0 26 -3,-0.3 -28,-0.1 -6,-0.2 3,-0.0 -0.375 22.7-161.2 -63.3 144.7 18.4 29.7 20.0 650 359 B R + 0 0 43 23,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.443 65.8 53.7-107.1 -5.3 19.8 32.5 17.8 651 360 B F - 0 0 12 22,-0.2 2,-0.6 20,-0.0 -29,-0.3 -0.929 64.3-140.4-134.0 156.4 23.1 33.0 19.7 652 361 B K B +H 672 0P 34 20,-2.5 20,-1.8 -2,-0.3 2,-0.1 -0.971 52.1 128.7-112.2 113.2 26.1 31.1 21.0 653 362 B G + 0 0 5 -2,-0.6 18,-0.1 1,-0.5 17,-0.1 -0.155 53.4 8.0-133.2-130.3 27.0 32.5 24.4 654 363 B V - 0 0 8 -32,-0.4 -1,-0.5 -2,-0.1 2,-0.3 -0.227 65.1-157.8 -59.8 149.0 27.6 31.1 27.8 655 364 B E E -X 662 0M 39 7,-1.8 7,-2.5 -3,-0.1 2,-0.7 -0.885 19.8-116.8-128.4 158.4 27.9 27.4 28.1 656 365 B V E +X 661 0M 14 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.876 36.8 176.6 -97.2 118.0 27.4 24.9 30.9 657 366 B V E > S-X 660 0M 16 3,-2.6 3,-2.1 -2,-0.7 -330,-0.0 -0.984 72.9 -11.3-127.3 120.2 30.7 23.1 31.5 658 367 B N T 3 S- 0 0 110 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.876 130.4 -59.0 57.5 34.9 31.0 20.6 34.4 659 368 B G T 3 S+ 0 0 1 -175,-0.4 -197,-1.8 1,-0.2 2,-0.4 0.433 114.5 122.6 74.7 2.0 27.6 22.0 35.4 660 369 B K E < S-WX 461 657M 59 -3,-2.1 -3,-2.6 -199,-0.2 -199,-0.3 -0.779 71.1-114.8-102.7 136.2 29.2 25.5 35.7 661 370 B I E - X 0 656M 1 -201,-2.6 2,-0.5 -2,-0.4 -5,-0.2 -0.517 39.3-158.1 -63.8 128.3 28.0 28.6 33.9 662 371 B T E - X 0 655M 35 -7,-2.5 -7,-1.8 -2,-0.2 2,-0.3 -0.940 6.7-152.8-124.1 114.9 31.0 29.4 31.7 663 372 B L - 0 0 3 -2,-0.5 2,-0.1 -207,-0.3 7,-0.1 -0.603 8.4-149.4 -82.7 136.6 31.6 32.9 30.3 664 373 B N - 0 0 21 -2,-0.3 -517,-0.1 6,-0.3 -10,-0.1 -0.321 28.1-108.2 -90.8-175.8 33.6 33.3 27.0 665 374 B D S S+ 0 0 92 -519,-0.4 5,-0.1 -2,-0.1 -518,-0.1 0.247 71.0 129.9-101.5 14.7 35.7 36.3 26.4 666 375 B L - 0 0 16 4,-0.2 -2,-0.1 1,-0.1 6,-0.0 -0.438 62.2-111.1 -66.8 140.7 33.5 38.0 23.7 667 376 B P S > S+ 0 0 39 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.068 81.7 16.2 -67.0 170.7 32.9 41.6 24.6 668 377 B G B 3 S-v 447 0L 0 -222,-2.3 -220,-2.1 1,-0.3 -219,-0.3 -0.480 138.4 -12.7 69.2-128.1 29.5 43.1 25.6 669 378 B I T 3 S- 0 0 0 -2,-0.3 -1,-0.3 -222,-0.2 -40,-0.1 0.455 99.2-110.4 -88.1 -0.5 27.1 40.4 26.8 670 379 B G < + 0 0 0 -3,-1.7 2,-0.3 1,-0.2 -6,-0.3 0.861 69.3 128.0 79.7 39.7 29.3 37.6 25.4 671 380 B V - 0 0 8 -4,-0.4 2,-0.4 -18,-0.1 -1,-0.2 -0.897 44.3-152.4-128.7 157.5 27.4 36.2 22.4 672 381 B M B H 652 0P 27 -20,-1.8 -20,-2.5 -2,-0.3 -528,-0.1 -0.991 360.0 360.0-122.9 130.9 27.9 35.5 18.7 673 382 B K 0 0 107 -2,-0.4 -22,-0.2 -22,-0.2 -23,-0.0 -0.633 360.0 360.0 -77.6 360.0 24.9 35.6 16.4 674 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 675 384 A P 0 0 0 0, 0.0 -394,-0.2 0, 0.0 -372,-0.1 0.000 360.0 360.0 360.0-179.2 32.5 20.6 8.8 676 385 A X 0 0 5 -396,-2.5 -395,-0.2 -374,-0.1 -397,-0.0 0.333 360.0 360.0 127.6 360.0 33.2 19.4 5.2 677 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 678 384 B P 0 0 0 0, 0.0 -60,-0.2 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0-178.7 14.2 28.9 34.2 679 385 B X 0 0 3 -62,-2.5 -61,-0.2 -40,-0.1 -63,-0.0 0.328 360.0 360.0 126.4 360.0 11.0 30.1 35.9