==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-APR-02 1GYX . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YDCE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ALMRUD,A.KERN,S.WANG,R.CZERWINSKI,W.JOHNSON,A.MURZIN, . 152 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 6.6 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 . 0 0.0 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 . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.3 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 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 13 0, 0.0 39,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 148.0 13.1 3.5 0.7 2 2 A H E -aB 40 83A 2 81,-2.2 81,-2.7 37,-0.2 2,-0.5 -0.971 360.0-163.7-116.4 122.5 10.4 2.8 3.4 3 3 A I E -aB 41 82A 0 37,-2.8 39,-2.8 -2,-0.5 2,-0.5 -0.943 3.5-166.5-111.3 128.5 11.3 3.9 6.9 4 4 A D E -aB 42 81A 4 77,-2.7 77,-2.7 -2,-0.5 2,-0.5 -0.961 3.5-166.9-114.9 124.6 9.3 2.6 9.9 5 5 A I E -aB 43 80A 0 37,-2.5 39,-3.0 -2,-0.5 2,-0.4 -0.967 4.0-174.0-115.4 119.0 9.8 4.3 13.3 6 6 A K E +aB 44 79A 28 73,-2.7 73,-2.3 -2,-0.5 2,-0.3 -0.949 17.4 151.4-109.2 136.8 8.5 2.7 16.4 7 7 A C E -a 45 0A 0 37,-1.8 39,-3.0 -2,-0.4 3,-0.1 -0.983 49.0 -86.0-155.3 165.1 8.6 4.5 19.8 8 8 A F S S- 0 0 88 -2,-0.3 39,-0.2 37,-0.2 36,-0.0 -0.297 71.4 -74.4 -68.1 157.2 6.9 4.8 23.2 9 9 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.102 58.8 162.7 -61.4 148.4 4.1 7.3 23.1 10 10 A R - 0 0 76 -3,-0.1 2,-0.7 2,-0.1 -3,-0.0 -0.969 45.4 -97.9-159.3 155.4 4.6 11.0 22.9 11 11 A E + 0 0 100 -2,-0.3 2,-0.4 0, 0.0 0, 0.0 -0.654 50.4 164.3 -78.1 110.0 2.6 14.1 22.0 12 12 A L - 0 0 33 -2,-0.7 -2,-0.1 4,-0.0 2,-0.1 -0.968 20.6-156.2-131.8 118.3 3.4 15.0 18.5 13 13 A D > - 0 0 86 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.237 38.2 -94.3 -84.8 177.7 1.3 17.3 16.4 14 14 A E H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 125.0 52.3 -64.8 -35.6 1.2 17.4 12.6 15 15 A Q H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.2 48.6 -64.6 -41.8 3.9 20.1 12.2 16 16 A Q H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.887 111.3 49.2 -64.6 -41.8 6.2 18.0 14.5 17 17 A K H X S+ 0 0 48 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.916 111.2 50.0 -64.8 -39.4 5.6 14.8 12.5 18 18 A A H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.877 109.3 51.6 -66.1 -36.3 6.3 16.7 9.2 19 19 A A H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 110.3 48.3 -68.0 -42.1 9.5 18.1 10.6 20 20 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.945 112.0 50.5 -59.7 -48.1 10.7 14.6 11.7 21 21 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.881 108.6 51.5 -58.2 -42.7 9.8 13.3 8.3 22 22 A A H X S+ 0 0 56 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.910 111.3 46.9 -62.5 -42.1 11.8 16.1 6.5 23 23 A D H X S+ 0 0 65 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.903 112.6 48.6 -70.0 -39.3 14.9 15.4 8.5 24 24 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.941 109.8 54.4 -61.0 -42.3 14.7 11.6 8.0 25 25 A T H X S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.925 106.8 49.9 -59.2 -47.0 14.2 12.3 4.3 26 26 A D H X S+ 0 0 78 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.937 111.0 49.6 -57.6 -49.7 17.4 14.4 4.0 27 27 A V H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.927 112.0 47.5 -55.9 -45.4 19.4 11.8 5.7 28 28 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 6,-0.6 0.902 110.5 51.6 -64.3 -42.7 18.1 9.0 3.5 29 29 A I H X>S+ 0 0 57 -4,-2.6 5,-0.9 -5,-0.2 4,-0.7 0.952 114.8 43.5 -57.0 -47.9 18.7 11.1 0.3 30 30 A R H <5S+ 0 0 129 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.841 122.7 34.8 -72.7 -32.0 22.3 11.7 1.4 31 31 A H H <5S+ 0 0 45 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 126.4 34.4 -93.6 -30.5 23.2 8.2 2.5 32 32 A L H <5S- 0 0 4 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.1 0.271 102.6-118.3-108.1 9.5 21.3 6.0 0.2 33 33 A N T <5 + 0 0 147 -4,-0.7 -4,-0.2 -5,-0.2 -3,-0.2 0.934 66.2 152.6 54.2 50.4 21.6 8.2 -3.0 34 34 A S < - 0 0 12 -5,-0.9 2,-0.3 -6,-0.6 -1,-0.1 -0.298 41.5-125.5-108.2 179.5 17.8 8.4 -2.9 35 35 A K > - 0 0 122 1,-0.1 3,-1.0 -2,-0.1 4,-0.4 -0.927 24.9-115.1-127.0 157.2 15.2 10.9 -4.0 36 36 A D G > S+ 0 0 88 -2,-0.3 3,-1.8 1,-0.2 112,-0.3 0.922 114.2 57.1 -56.3 -45.2 12.3 12.5 -2.2 37 37 A S G 3 S+ 0 0 54 1,-0.3 111,-1.8 110,-0.1 112,-1.1 0.725 102.8 54.4 -61.5 -22.4 9.8 10.7 -4.4 38 38 A S G < S+ 0 0 30 -3,-1.0 2,-0.5 110,-0.2 -1,-0.3 0.477 90.8 94.2 -89.6 -6.9 11.1 7.2 -3.4 39 39 A I < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.4 -37,-0.2 -0.781 43.2 172.8-102.5 129.0 10.8 7.8 0.4 40 40 A S E -a 2 0A 0 -39,-2.2 -37,-2.8 -2,-0.5 2,-0.4 -0.959 11.1-164.2-125.7 144.9 7.9 6.8 2.6 41 41 A I E -aC 3 145A 0 104,-2.3 104,-1.7 -2,-0.3 103,-1.6 -0.989 5.5-167.6-138.9 126.9 7.9 7.0 6.4 42 42 A A E -a 4 0A 0 -39,-2.8 -37,-2.5 -2,-0.4 2,-0.4 -0.880 4.6-161.6-108.9 144.0 5.6 5.5 9.1 43 43 A L E -a 5 0A 25 -2,-0.3 2,-0.5 99,-0.3 -37,-0.2 -0.994 11.2-178.0-127.1 114.4 5.5 6.5 12.7 44 44 A Q E -a 6 0A 63 -39,-3.0 -37,-1.8 -2,-0.4 2,-0.5 -0.981 15.9-149.0-119.5 120.7 3.9 3.9 15.1 45 45 A Q E -a 7 0A 82 -2,-0.5 2,-0.5 -39,-0.2 -37,-0.2 -0.770 16.2-166.6 -91.1 126.3 3.6 4.7 18.8 46 46 A I - 0 0 26 -39,-3.0 5,-0.1 -2,-0.5 -2,-0.0 -0.963 21.1-122.6-120.3 123.7 3.8 1.5 20.9 47 47 A Q > - 0 0 104 -2,-0.5 3,-2.2 -39,-0.2 4,-0.3 -0.363 31.8-112.0 -61.5 148.7 2.8 1.4 24.6 48 48 A P G > S+ 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.860 115.4 59.3 -54.3 -38.5 5.7 0.2 26.8 49 49 A E G 3 S+ 0 0 145 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.627 105.2 51.4 -69.0 -10.0 3.9 -3.1 27.7 50 50 A S G <> S+ 0 0 63 -3,-2.2 4,-0.7 1,-0.1 3,-0.5 0.415 83.6 90.0-106.0 8.5 3.8 -4.0 24.0 51 51 A W H X> S+ 0 0 6 -3,-1.8 4,-2.6 -4,-0.3 3,-0.6 0.803 72.9 70.4 -74.5 -28.9 7.6 -3.3 23.4 52 52 A Q H 3> S+ 0 0 57 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.891 95.2 53.7 -56.1 -37.7 8.5 -6.9 24.2 53 53 A A H 3> S+ 0 0 63 -3,-0.5 4,-2.1 2,-0.2 -1,-0.3 0.853 109.0 49.1 -64.6 -33.9 6.8 -8.1 21.0 54 54 A I H S+ 0 0 21 -4,-0.7 4,-2.6 -3,-0.6 5,-1.8 0.924 111.7 48.5 -70.1 -44.2 9.0 -5.6 19.1 55 55 A W H <>S+ 0 0 2 -4,-2.6 5,-2.8 3,-0.2 -2,-0.2 0.952 115.7 45.0 -56.4 -49.8 12.1 -6.8 20.8 56 56 A D H <5S+ 0 0 86 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.859 124.0 30.4 -68.8 -38.0 11.2 -10.4 20.1 57 57 A A H <5S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.746 135.3 14.9 -92.6 -31.2 10.1 -10.0 16.5 58 58 A E T X5S+ 0 0 58 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.763 124.4 36.7-113.6 -46.7 12.3 -7.2 15.2 59 59 A I T 44X S+ 0 0 33 -4,-0.6 3,-2.6 -3,-0.4 4,-1.9 0.354 75.8 109.6 -92.9 6.7 18.3 -9.0 13.8 63 63 A M T <4 S+ 0 0 59 -3,-1.7 3,-0.2 -4,-0.4 -1,-0.2 0.865 74.8 59.3 -49.9 -39.9 21.0 -8.3 16.3 64 64 A E T 34 S+ 0 0 184 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.668 119.4 27.2 -62.3 -19.4 23.5 -9.9 14.0 65 65 A A T <4 S+ 0 0 55 -3,-2.6 55,-0.3 3,-0.1 -1,-0.2 0.478 83.5 127.4-122.5 -13.6 22.7 -7.3 11.3 66 66 A L < - 0 0 12 -4,-1.9 53,-0.2 -3,-0.2 3,-0.2 -0.189 51.0-147.6 -52.1 140.0 21.5 -4.2 13.0 67 67 A I S S+ 0 0 27 51,-1.6 2,-0.3 1,-0.3 52,-0.2 0.720 94.8 24.7 -81.0 -18.7 23.4 -1.1 11.8 68 68 A K B S-D 118 0A 43 50,-1.7 50,-2.5 30,-0.1 -1,-0.3 -0.905 82.3-151.0-142.0 118.5 22.9 0.3 15.4 69 69 A K - 0 0 125 -2,-0.3 47,-0.1 -3,-0.2 -10,-0.0 -0.537 28.8-101.1 -84.3 148.7 22.3 -2.1 18.3 70 70 A P - 0 0 18 0, 0.0 45,-0.2 0, 0.0 44,-0.1 -0.280 17.0-132.4 -63.2 156.6 20.3 -1.0 21.3 71 71 A G S S+ 0 0 56 43,-2.8 2,-0.3 42,-0.2 44,-0.1 0.140 89.2 54.2 -94.3 16.3 22.0 0.1 24.5 72 72 A Y S S- 0 0 67 42,-0.3 2,-0.4 43,-0.0 0, 0.0 -0.915 72.5-139.6-140.4 163.6 19.7 -2.2 26.5 73 73 A S + 0 0 95 -2,-0.3 -2,-0.0 2,-0.1 -18,-0.0 -0.987 17.6 174.4-127.0 142.9 18.7 -5.9 26.4 74 74 A M + 0 0 59 -2,-0.4 2,-0.4 -22,-0.1 -18,-0.1 -0.165 18.1 155.4-138.4 40.1 15.2 -7.3 27.0 75 75 A N 0 0 122 1,-0.2 -2,-0.1 -20,-0.0 -23,-0.0 -0.582 360.0 360.0 -70.3 128.5 15.5 -11.0 26.3 76 76 A A 0 0 142 -2,-0.4 -1,-0.2 -24,-0.1 -24,-0.0 0.441 360.0 360.0-112.0 360.0 12.7 -12.7 28.2 77 !* 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 78 1 B P 0 0 13 0, 0.0 39,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 148.5 12.8 3.8 19.4 79 2 B H E -Be 6 117A 2 -73,-2.3 -73,-2.7 37,-0.2 2,-0.5 -0.985 360.0-164.1-121.5 123.0 13.4 1.2 16.8 80 3 B I E -Be 5 118A 0 37,-2.7 39,-2.9 -2,-0.5 2,-0.5 -0.945 2.4-166.3-112.4 127.7 13.9 2.3 13.2 81 4 B D E -Be 4 119A 4 -77,-2.7 -77,-2.7 -2,-0.5 2,-0.5 -0.960 1.6-166.7-115.5 125.1 13.6 -0.0 10.2 82 5 B I E -Be 3 120A 0 37,-2.4 39,-3.1 -2,-0.5 2,-0.4 -0.966 4.3-173.1-114.4 115.0 14.9 1.1 6.8 83 6 B K E +Be 2 121A 27 -81,-2.7 -81,-2.2 -2,-0.5 2,-0.3 -0.929 19.1 147.7-107.4 133.9 13.9 -1.0 3.8 84 7 B C E - e 0 122A 1 37,-1.8 39,-3.0 -2,-0.4 3,-0.1 -0.973 50.5 -81.2-155.4 165.5 15.5 -0.2 0.4 85 8 B F S S- 0 0 94 -2,-0.3 39,-0.2 37,-0.2 36,-0.0 -0.289 71.6 -71.5 -66.3 161.0 16.6 -1.9 -2.9 86 9 B P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.199 63.4 153.9 -61.7 141.6 20.0 -3.6 -2.7 87 10 B R - 0 0 72 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.951 46.0-102.0-162.3 151.9 23.1 -1.5 -2.6 88 11 B E + 0 0 98 -2,-0.3 2,-0.5 0, 0.0 0, 0.0 -0.724 39.4 173.8 -83.8 116.5 26.6 -1.9 -1.3 89 12 B L - 0 0 26 -2,-0.6 -2,-0.1 4,-0.0 -57,-0.0 -0.982 16.8-151.3-123.6 120.8 27.2 -0.2 2.1 90 13 B D > - 0 0 88 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.192 36.7 -92.8 -81.0 177.6 30.6 -0.7 3.9 91 14 B E H > S+ 0 0 146 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 126.0 51.0 -62.3 -40.7 30.9 -0.6 7.7 92 15 B Q H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 112.0 48.3 -62.5 -43.5 31.9 3.1 7.7 93 16 B Q H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.896 111.1 49.4 -61.9 -44.2 28.8 3.9 5.6 94 17 B K H X S+ 0 0 59 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.924 112.8 47.6 -63.3 -42.1 26.5 1.9 7.7 95 18 B A H X S+ 0 0 59 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.896 111.6 49.4 -69.1 -37.0 27.8 3.5 10.9 96 19 B A H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.903 111.9 48.5 -69.4 -41.7 27.5 7.1 9.5 97 20 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.962 111.9 50.2 -61.4 -45.4 23.9 6.5 8.3 98 21 B A H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.895 110.4 50.1 -59.4 -38.7 23.1 5.1 11.7 99 22 B A H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 110.5 48.0 -68.0 -43.1 24.6 8.1 13.4 100 23 B D H X S+ 0 0 50 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.914 114.2 47.3 -63.4 -41.9 22.7 10.7 11.3 101 24 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.4 55.4 -62.4 -45.0 19.4 8.8 11.9 102 25 B T H X S+ 0 0 3 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.925 107.3 47.5 -53.5 -48.6 20.2 8.6 15.6 103 26 B D H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 110.2 52.7 -67.4 -35.2 20.6 12.4 16.0 104 27 B V H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.929 111.8 46.3 -62.3 -45.7 17.4 13.0 14.0 105 28 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 6,-0.6 0.921 110.9 52.2 -63.7 -43.3 15.5 10.7 16.4 106 29 B I H X S+ 0 0 56 -4,-2.8 4,-1.0 1,-0.2 5,-0.3 0.933 112.5 46.9 -56.8 -44.8 17.1 12.3 19.5 107 30 B R H < S+ 0 0 192 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 121.5 31.9 -63.7 -50.2 16.0 15.7 18.3 108 31 B H H < S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.778 128.7 33.9 -83.5 -29.9 12.4 14.9 17.4 109 32 B L H < S- 0 0 3 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.322 98.4-123.9-108.7 2.3 11.5 12.2 19.9 110 33 B N < + 0 0 141 -4,-1.0 -4,-0.2 -5,-0.3 -3,-0.2 0.846 56.4 163.5 59.5 35.7 13.6 13.5 22.9 111 34 B S - 0 0 10 -6,-0.6 2,-0.3 -5,-0.3 -1,-0.2 -0.429 39.5-124.8 -89.2 156.8 15.3 10.1 23.0 112 35 B K > - 0 0 152 -2,-0.1 3,-1.0 1,-0.1 4,-0.3 -0.712 27.9-116.3 -90.8 154.2 18.5 8.9 24.6 113 36 B D G > S+ 0 0 87 -2,-0.3 3,-1.8 1,-0.2 -42,-0.2 0.893 112.2 58.3 -56.1 -44.2 21.1 7.1 22.5 114 37 B S G 3 S+ 0 0 57 1,-0.3 -43,-2.8 -43,-0.1 -42,-0.3 0.751 98.8 60.1 -64.3 -20.6 20.8 3.8 24.4 115 38 B S G < S+ 0 0 43 -3,-1.0 2,-0.4 -45,-0.2 -1,-0.3 0.551 89.5 92.4 -80.5 -9.5 17.1 3.6 23.5 116 39 B I < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.3 -37,-0.2 -0.761 44.2 171.3-101.2 132.4 17.7 3.6 19.7 117 40 B S E - e 0 79A 0 -39,-2.0 -37,-2.7 -2,-0.4 2,-0.4 -0.961 12.0-162.6-129.9 146.5 18.2 0.6 17.5 118 41 B I E -De 68 80A 0 -50,-2.5 -50,-1.7 -2,-0.3 -51,-1.6 -0.989 4.2-168.7-138.7 127.3 18.3 0.7 13.7 119 42 B A E - e 0 81A 0 -39,-2.9 -37,-2.4 -2,-0.4 2,-0.5 -0.877 5.5-162.0-111.1 146.2 17.9 -2.0 11.1 120 43 B L E - e 0 82A 25 -2,-0.3 2,-0.5 -55,-0.3 -37,-0.2 -0.980 13.2-174.0-129.2 111.9 18.7 -1.8 7.3 121 44 B Q E - e 0 83A 57 -39,-3.1 -37,-1.8 -2,-0.5 2,-0.4 -0.955 16.1-143.7-115.5 123.0 17.0 -4.5 5.2 122 45 B Q E - e 0 84A 87 -2,-0.5 2,-0.5 -39,-0.2 -37,-0.2 -0.661 17.5-165.1 -84.8 127.7 17.7 -4.9 1.5 123 46 B I - 0 0 24 -39,-3.0 5,-0.1 -2,-0.4 -2,-0.0 -0.969 19.2-124.3-117.4 127.7 14.7 -5.9 -0.4 124 47 B Q > - 0 0 97 -2,-0.5 3,-2.4 -39,-0.2 4,-0.4 -0.384 28.7-114.5 -66.7 151.8 14.9 -7.3 -4.0 125 48 B P G > S+ 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.877 115.6 57.4 -56.0 -40.7 12.8 -5.3 -6.5 126 49 B E G 3 S+ 0 0 148 1,-0.3 4,-0.1 2,-0.1 -2,-0.1 0.585 106.3 51.4 -69.7 -6.8 10.5 -8.2 -7.1 127 50 B S G <> S+ 0 0 61 -3,-2.4 4,-0.8 2,-0.1 3,-0.3 0.377 84.4 88.8-106.0 2.4 9.7 -8.3 -3.4 128 51 B W H X> S+ 0 0 15 -3,-1.7 4,-2.8 -4,-0.4 3,-0.6 0.876 76.3 65.3 -71.9 -32.4 8.8 -4.6 -3.1 129 52 B Q H 3> S+ 0 0 80 -4,-0.5 4,-3.0 1,-0.3 -1,-0.2 0.892 98.8 54.6 -55.1 -39.7 5.1 -5.2 -3.9 130 53 B A H 3> S+ 0 0 62 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.868 108.5 47.9 -61.6 -38.8 4.8 -7.1 -0.7 131 54 B I H S+ 0 0 22 -4,-0.8 4,-2.9 -3,-0.6 5,-1.1 0.930 112.6 49.2 -67.4 -45.9 6.2 -4.2 1.3 132 55 B W H X>S+ 0 0 10 -4,-2.8 5,-2.5 1,-0.2 4,-0.9 0.951 113.6 46.3 -55.2 -50.1 3.8 -1.8 -0.5 133 56 B D H <5S+ 0 0 90 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.834 122.8 32.5 -65.8 -36.1 0.8 -4.1 0.2 134 57 B A H <5S+ 0 0 63 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.786 133.7 18.3 -92.1 -34.2 1.6 -4.7 3.8 135 58 B E H <5S+ 0 0 59 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.715 126.5 32.3-110.9 -28.4 3.2 -1.5 5.0 136 59 B I T >< S+ 0 0 43 -3,-0.8 4,-1.4 1,-0.1 3,-1.3 0.138 80.4 126.6-106.4 11.3 -1.4 2.9 6.2 140 63 B M G X4 S+ 0 0 61 -3,-1.3 3,-0.7 1,-0.3 -1,-0.1 0.849 74.0 40.1 -47.8 -54.6 -1.3 5.6 3.4 141 64 B E G 34 S+ 0 0 191 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.703 115.6 53.8 -76.0 -10.1 -3.1 8.5 5.2 142 65 B A G <4 S+ 0 0 65 -3,-1.3 -99,-0.3 3,-0.0 -1,-0.2 0.670 82.6 110.9 -88.8 -18.2 -1.4 7.7 8.5 143 66 B L << - 0 0 2 -4,-1.4 -101,-0.2 -3,-0.7 3,-0.2 -0.276 64.0-145.9 -55.6 142.0 2.1 7.9 6.9 144 67 B I S S+ 0 0 23 -103,-1.6 2,-0.4 1,-0.3 -102,-0.2 0.683 96.0 26.9 -81.3 -19.4 4.2 10.9 8.1 145 68 B K B S-C 41 0A 38 -104,-1.7 -104,-2.3 -124,-0.1 -1,-0.3 -0.937 82.7-152.7-140.0 117.7 5.7 10.9 4.6 146 69 B K - 0 0 101 -2,-0.4 -107,-0.1 -106,-0.2 2,-0.1 -0.656 28.7-100.2 -86.6 149.6 3.7 9.5 1.7 147 70 B P - 0 0 18 0, 0.0 -109,-0.2 0, 0.0 -110,-0.1 -0.364 14.0-146.1 -67.7 143.9 5.5 8.0 -1.4 148 71 B G S S+ 0 0 60 -111,-1.8 2,-0.2 -112,-0.3 -110,-0.2 0.716 87.0 61.9 -77.6 -23.5 5.8 10.2 -4.5 149 72 B Y S S- 0 0 66 -112,-1.1 2,-0.3 -110,-0.0 0, 0.0 -0.542 74.5-150.0 -92.5 167.6 5.4 7.0 -6.6 150 73 B S - 0 0 71 -2,-0.2 3,-0.3 1,-0.1 -2,-0.0 -1.000 17.8-162.6-139.2 143.2 2.4 4.7 -6.6 151 74 B M S S+ 0 0 67 -2,-0.3 -1,-0.1 1,-0.2 -18,-0.0 0.207 89.6 61.1-104.7 16.6 2.1 0.9 -7.2 152 75 B N 0 0 134 1,-0.1 -1,-0.2 -15,-0.0 0, 0.0 -0.286 360.0 360.0-136.2 50.7 -1.6 1.2 -7.9 153 76 B A 0 0 156 -3,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.704 360.0 360.0 -87.4 360.0 -1.9 3.4 -10.9