==== 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 ISOMERASE 11-OCT-10 3P6L . COMPND 2 MOLECULE: SUGAR PHOSPHATE ISOMERASE/EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.3 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 . 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 0 1 1 1 0 2 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 0 A G 0 0 80 0, 0.0 6,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.3 9.5 22.0 20.6 2 24 A Q + 0 0 174 4,-0.1 2,-0.0 5,-0.1 5,-0.0 0.954 360.0 60.3 -76.9 -51.4 5.8 21.3 21.2 3 25 A T S > S- 0 0 53 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.356 89.5-115.3 -70.6 162.6 5.8 17.6 22.4 4 26 A K H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 6,-0.2 0.925 120.0 49.9 -56.5 -48.3 7.7 16.5 25.5 5 27 A A H 4>S+ 0 0 1 2,-0.2 5,-2.8 1,-0.2 3,-0.3 0.927 111.0 48.8 -56.5 -47.5 10.0 14.4 23.3 6 28 A E H >45S+ 0 0 46 1,-0.2 3,-1.8 3,-0.2 -2,-0.2 0.914 107.2 55.4 -60.2 -46.1 10.6 17.3 21.0 7 29 A K H 3<5S+ 0 0 120 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.8 48.2 -48.9 -42.6 11.3 19.6 24.0 8 30 A N T 3<5S- 0 0 72 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.267 123.4-103.7 -89.1 10.1 14.0 17.1 25.0 9 31 A G T < 5S+ 0 0 22 -3,-1.8 221,-2.4 1,-0.2 2,-0.9 0.638 74.9 139.1 79.7 17.0 15.6 16.8 21.6 10 32 A W E < -a 230 0A 6 -5,-2.8 2,-0.7 219,-0.2 -1,-0.2 -0.808 32.0-170.1 -96.7 103.7 14.1 13.5 20.6 11 33 A R E -a 231 0A 53 219,-2.6 221,-2.4 -2,-0.9 2,-0.3 -0.828 10.5-150.7-105.5 112.5 13.0 13.7 17.0 12 34 A L E +a 232 0A 19 -2,-0.7 25,-0.8 219,-0.2 26,-0.4 -0.627 28.0 163.3 -81.9 135.6 10.9 10.9 15.5 13 35 A G E -a 233 0A 0 219,-2.6 221,-2.7 -2,-0.3 2,-0.4 -0.868 36.5-101.7-142.0 174.1 11.4 10.4 11.8 14 36 A X E -ab 234 39A 0 24,-2.4 26,-2.7 -2,-0.3 2,-0.7 -0.806 16.5-143.7-102.1 142.7 10.8 7.9 9.1 15 37 A Q E > - b 0 40A 2 219,-2.3 3,-2.3 -2,-0.4 221,-0.3 -0.936 20.0-144.1-100.7 112.8 13.4 5.6 7.7 16 38 A S G > S+ 0 0 0 24,-2.8 3,-2.2 -2,-0.7 25,-0.1 0.704 90.7 76.3 -58.9 -21.5 12.3 5.4 4.0 17 39 A Y G > S+ 0 0 78 23,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.800 81.0 70.5 -59.1 -28.6 13.3 1.8 3.6 18 40 A S G < S+ 0 0 0 -3,-2.3 -1,-0.3 216,-0.3 -2,-0.2 0.758 108.3 36.9 -53.2 -24.4 10.1 0.9 5.6 19 41 A F G X S+ 0 0 2 -3,-2.2 3,-2.0 -4,-0.2 -1,-0.3 -0.152 76.4 129.8-120.2 32.3 8.3 2.1 2.4 20 42 A H T < + 0 0 51 -3,-1.9 26,-0.2 1,-0.3 -1,-0.1 0.727 66.5 66.7 -64.4 -19.2 10.9 0.7 -0.2 21 43 A L T 3 S+ 0 0 89 219,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.570 102.7 55.5 -74.6 -6.9 8.0 -0.9 -2.1 22 44 A F S < S- 0 0 33 -3,-2.0 24,-0.2 1,-0.1 -3,-0.1 -0.825 94.6 -96.8-125.1 159.5 6.7 2.6 -2.9 23 45 A P > - 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.357 39.8-109.5 -70.0 159.3 8.2 5.6 -4.6 24 46 A L H > S+ 0 0 0 22,-2.9 4,-2.8 1,-0.2 5,-0.2 0.822 118.1 64.1 -59.7 -34.4 9.6 8.3 -2.4 25 47 A T H > S+ 0 0 27 22,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.928 108.2 42.1 -54.2 -44.9 6.7 10.6 -3.4 26 48 A E H > S+ 0 0 78 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.878 110.5 56.3 -67.6 -40.4 4.4 8.1 -1.7 27 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 106.9 50.6 -58.1 -40.5 6.8 7.6 1.3 28 50 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.960 109.7 50.5 -62.5 -45.3 6.7 11.4 1.9 29 51 A D H X S+ 0 0 78 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.884 112.9 45.3 -57.1 -43.8 2.8 11.3 1.8 30 52 A K H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.909 112.0 51.6 -70.3 -40.0 2.8 8.4 4.4 31 53 A T H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 -2,-0.2 0.917 113.5 45.2 -59.8 -45.2 5.4 10.2 6.6 32 54 A Q H ><5S+ 0 0 87 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.937 109.6 54.9 -64.3 -46.7 3.2 13.3 6.5 33 55 A E H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.2 53.0 -53.8 -33.8 0.1 11.1 7.2 34 56 A L T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.482 115.0-118.5 -81.4 -2.7 1.9 9.8 10.2 35 57 A G T < 5 + 0 0 59 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.700 63.1 148.8 72.4 24.5 2.5 13.4 11.5 36 58 A L < - 0 0 9 -5,-2.1 -1,-0.3 -6,-0.2 -23,-0.1 -0.660 35.9-163.2 -93.3 142.1 6.3 12.8 11.3 37 59 A K + 0 0 91 -25,-0.8 41,-2.7 -2,-0.3 2,-0.3 0.383 65.4 55.9-107.5 3.2 8.5 15.8 10.6 38 60 A Y E - c 0 78A 47 -26,-0.4 -24,-2.4 39,-0.2 2,-0.3 -0.983 55.4-169.3-137.4 148.3 11.8 14.0 9.6 39 61 A I E -bc 14 79A 0 39,-2.0 41,-2.6 -2,-0.3 42,-1.1 -0.999 13.9-158.4-142.9 143.5 12.9 11.5 7.1 40 62 A E E -bc 15 81A 0 -26,-2.7 -24,-2.8 -2,-0.3 2,-0.4 -0.985 26.0-149.4-114.3 112.3 16.1 9.5 6.5 41 63 A I E - c 0 82A 0 40,-2.3 42,-1.6 -2,-0.5 -26,-0.1 -0.718 8.0-129.8 -94.0 128.1 16.1 8.3 2.9 42 64 A Y > - 0 0 46 -2,-0.4 3,-1.9 40,-0.2 2,-0.4 -0.511 33.4-102.3 -73.3 140.3 17.8 5.1 1.8 43 65 A P T 3 S+ 0 0 38 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.496 109.6 27.3 -63.1 116.1 20.2 5.3 -1.2 44 66 A G T 3 S+ 0 0 27 12,-2.6 2,-0.2 -2,-0.4 13,-0.2 0.296 77.7 153.0 109.2 -4.9 18.5 4.0 -4.3 45 67 A H E < -I 56 0B 0 -3,-1.9 11,-2.4 11,-0.6 -1,-0.3 -0.378 49.7-120.3 -58.7 122.6 14.9 4.9 -3.2 46 68 A K E -I 55 0B 119 9,-0.2 -22,-2.9 -26,-0.2 9,-0.2 -0.465 16.6-147.1 -68.3 139.5 13.0 5.4 -6.5 47 69 A L - 0 0 1 7,-2.9 -22,-2.1 -24,-0.3 -21,-0.2 0.913 24.5-176.3 -77.1 -43.8 11.6 8.9 -6.7 48 70 A G > + 0 0 11 4,-2.5 3,-1.9 6,-0.4 4,-0.3 -0.369 44.5 76.1 70.4-159.3 8.3 8.3 -8.7 49 71 A G G > S- 0 0 59 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 -0.291 122.0 -19.8 56.8-141.4 6.1 11.2 -9.7 50 72 A K G 3 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.510 139.1 63.1 -72.1 -8.6 7.5 13.2 -12.6 51 73 A W G X S- 0 0 40 -3,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.526 79.9-178.3 -93.1 -7.9 11.0 11.7 -11.9 52 74 A G T < - 0 0 31 -3,-1.1 -4,-2.5 -4,-0.3 -1,-0.2 -0.216 66.7 -0.4 51.2-118.6 9.9 8.1 -12.6 53 75 A D T 3 S+ 0 0 132 -6,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.312 94.8 123.4 -94.3 12.0 12.8 5.7 -12.0 54 76 A K < - 0 0 85 -3,-2.1 -7,-2.9 -6,-0.1 -6,-0.4 -0.413 55.2-140.1 -60.4 141.6 15.3 8.3 -11.1 55 77 A V E -I 46 0B 43 -9,-0.2 2,-1.1 -8,-0.1 -9,-0.2 -0.825 14.1-110.0-112.8 154.9 16.7 7.3 -7.6 56 78 A F E S+I 45 0B 0 -11,-2.4 -12,-2.6 -2,-0.3 -11,-0.6 -0.707 70.6 117.7 -76.6 97.2 17.7 9.2 -4.4 57 79 A D S > S- 0 0 46 -2,-1.1 3,-2.2 -14,-0.2 -15,-0.0 -0.940 80.6 -79.8-153.1-179.7 21.5 8.8 -4.4 58 80 A F T 3 S+ 0 0 36 1,-0.3 -2,-0.1 -2,-0.3 40,-0.0 0.549 122.4 60.3 -69.8 -5.0 24.7 10.9 -4.5 59 81 A N T 3 S+ 0 0 103 -4,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.204 74.2 133.2 -98.4 10.9 24.5 11.2 -8.3 60 82 A L < - 0 0 8 -3,-2.2 -4,-0.1 1,-0.1 -6,-0.0 -0.456 60.5-114.5 -65.9 135.4 21.1 13.0 -8.1 61 83 A D > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.219 21.0-111.1 -70.2 160.7 21.1 16.1 -10.3 62 84 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.891 113.5 52.8 -63.6 -42.8 20.8 19.6 -8.9 63 85 A Q H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.949 112.3 45.0 -58.9 -49.9 17.3 20.4 -10.2 64 86 A T H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 107.6 59.2 -63.1 -38.1 15.8 17.2 -8.7 65 87 A Q H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.925 111.4 40.4 -53.1 -51.8 17.7 17.8 -5.4 66 88 A K H X S+ 0 0 124 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 113.2 53.3 -69.1 -39.0 15.9 21.1 -4.9 67 89 A E H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.909 111.0 47.7 -60.8 -38.9 12.6 19.9 -6.2 68 90 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.920 110.2 51.7 -69.9 -42.4 12.7 17.0 -3.6 69 91 A K H X S+ 0 0 68 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.903 111.8 47.9 -58.7 -40.9 13.7 19.4 -0.9 70 92 A E H X S+ 0 0 143 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.919 110.0 50.4 -66.3 -43.3 10.7 21.6 -1.8 71 93 A L H X S+ 0 0 46 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.964 113.7 46.3 -59.1 -50.2 8.2 18.7 -1.9 72 94 A A H ><>S+ 0 0 1 -4,-2.6 5,-2.8 1,-0.2 3,-1.0 0.925 113.4 48.7 -55.8 -50.5 9.4 17.6 1.5 73 95 A A H ><5S+ 0 0 70 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.888 106.6 57.2 -53.8 -43.9 9.2 21.2 2.9 74 96 A S H 3<5S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.715 108.1 47.6 -62.6 -25.3 5.7 21.5 1.4 75 97 A K T <<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.129 121.3-104.6-102.0 16.5 4.6 18.5 3.5 76 98 A G T < 5S+ 0 0 53 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.671 80.3 130.7 68.3 22.3 6.2 19.7 6.7 77 99 A I < - 0 0 6 -5,-2.8 2,-0.5 -6,-0.2 -39,-0.2 -0.906 44.9-156.5-115.7 129.9 9.1 17.3 6.5 78 100 A K E -c 38 0A 74 -41,-2.7 -39,-2.0 -2,-0.4 2,-0.7 -0.878 20.0-133.4 -97.3 130.3 12.9 17.8 6.7 79 101 A I E +c 39 0A 9 -2,-0.5 -39,-0.2 -41,-0.2 3,-0.1 -0.742 32.8 173.2 -79.5 112.4 15.2 15.3 5.0 80 102 A V E - 0 0 0 -41,-2.6 26,-2.3 -2,-0.7 27,-1.6 0.689 52.7 -13.4 -97.1 -28.5 17.7 14.8 7.9 81 103 A G E -cd 40 107A 0 -42,-1.1 -40,-2.3 24,-0.2 2,-0.3 -0.976 51.0-129.9-161.5 177.3 19.9 12.0 6.6 82 104 A T E -cd 41 108A 1 25,-1.1 27,-2.4 -2,-0.3 3,-0.3 -0.997 42.7 -14.5-139.2 144.6 20.5 9.3 4.1 83 105 A G E - 0 0 0 -42,-1.6 27,-0.2 -2,-0.3 2,-0.1 -0.859 45.1-112.1 153.7 178.4 21.5 5.6 4.5 84 106 A V E - 0 0 42 25,-0.3 2,-0.4 -2,-0.2 26,-0.3 0.186 67.2-175.8 -79.5 126.6 22.3 2.9 5.2 85 107 A Y E - d 0 110A 12 24,-2.6 26,-2.1 -3,-0.3 2,-0.5 -0.793 17.2-176.3 -98.8 131.5 25.2 3.7 2.8 86 108 A V - 0 0 96 -2,-0.4 2,-0.3 24,-0.2 24,-0.0 -0.996 26.8-131.3-122.1 121.2 27.9 1.2 1.8 87 109 A A - 0 0 25 -2,-0.5 3,-0.1 24,-0.3 4,-0.0 -0.546 12.0-161.8 -76.6 138.2 30.6 2.7 -0.4 88 110 A E S S+ 0 0 172 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.831 82.6 15.4 -86.9 -35.3 31.4 0.7 -3.5 89 111 A K S > S- 0 0 135 1,-0.1 3,-1.2 0, 0.0 4,-0.3 -0.939 75.8-123.8-132.2 152.7 34.8 2.5 -3.9 90 112 A S T > S+ 0 0 52 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.878 111.0 63.8 -63.9 -39.8 36.7 4.7 -1.4 91 113 A S T 3> S+ 0 0 90 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.633 90.8 67.1 -56.1 -19.6 36.6 7.6 -4.0 92 114 A D H <> S+ 0 0 20 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.686 80.6 77.8 -76.9 -17.6 32.9 7.6 -3.7 93 115 A W H <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.3 5,-0.2 0.929 92.9 49.6 -62.3 -41.0 33.0 8.9 -0.0 94 116 A E H > S+ 0 0 90 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.869 109.4 52.8 -66.3 -35.2 33.8 12.5 -1.1 95 117 A K H X S+ 0 0 110 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.893 108.6 50.5 -60.8 -43.1 30.9 12.4 -3.6 96 118 A X H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.917 110.9 48.8 -61.8 -46.3 28.5 11.2 -0.8 97 119 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.876 110.5 49.6 -61.9 -44.2 29.7 14.1 1.5 98 120 A K H X S+ 0 0 131 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.887 112.7 48.7 -60.4 -35.9 29.2 16.7 -1.2 99 121 A F H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.961 110.8 49.9 -70.9 -46.9 25.7 15.3 -1.8 100 122 A A H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 4,-0.3 0.880 112.2 48.5 -57.5 -41.8 24.9 15.4 1.9 101 123 A K H ><5S+ 0 0 109 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.934 111.8 47.7 -61.3 -49.8 26.1 19.0 2.1 102 124 A A H 3<5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.847 114.3 47.3 -63.2 -33.3 24.1 20.1 -0.9 103 125 A X T 3<5S- 0 0 3 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.439 111.0-126.2 -85.3 -2.4 21.0 18.4 0.5 104 126 A D T < 5 + 0 0 108 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.1 0.842 47.2 170.6 60.4 40.8 21.6 20.0 3.9 105 127 A L < - 0 0 7 -5,-2.7 -24,-0.2 -6,-0.2 -1,-0.2 -0.487 36.8-147.3 -81.2 151.3 21.6 16.7 5.8 106 128 A E S S+ 0 0 51 -26,-2.3 24,-2.5 1,-0.2 2,-0.3 0.759 76.5 2.9 -80.2 -36.9 22.6 16.3 9.4 107 129 A F E -de 81 130A 4 -27,-1.6 -25,-1.1 22,-0.2 2,-0.4 -0.990 51.9-137.4-153.2 158.7 24.1 12.8 9.0 108 130 A I E -de 82 131A 0 22,-2.2 24,-2.2 -2,-0.3 2,-0.4 -0.987 23.0-147.9-112.0 122.5 24.9 9.8 6.8 109 131 A T E + e 0 132A 0 -27,-2.4 -24,-2.6 -2,-0.4 -25,-0.3 -0.808 41.6 137.8 -88.7 136.8 24.0 6.4 8.2 110 132 A C E -de 85 133A 0 22,-2.2 24,-2.4 -2,-0.4 -24,-0.2 -0.980 58.7-122.3-163.6 174.4 26.5 3.9 6.9 111 133 A E - 0 0 24 -26,-2.1 -24,-0.3 -2,-0.3 22,-0.1 -0.795 38.1-162.2-134.3 88.1 28.8 1.0 7.4 112 134 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 29,-0.1 -0.332 27.7-101.7 -68.6 152.9 32.3 2.2 6.4 113 135 A A > - 0 0 45 1,-0.1 3,-2.4 3,-0.0 4,-0.2 -0.614 31.4-119.3 -71.9 138.2 35.0 -0.2 5.6 114 136 A L G > S+ 0 0 101 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.809 113.4 56.7 -45.7 -37.5 37.4 -0.5 8.5 115 137 A S G 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.549 97.9 62.3 -77.0 -7.5 40.3 0.8 6.2 116 138 A D G <> + 0 0 20 -3,-2.4 4,-2.5 1,-0.1 -1,-0.2 0.297 67.6 107.0-101.5 12.6 38.5 4.0 5.3 117 139 A W H <> S+ 0 0 7 -3,-0.9 4,-2.9 1,-0.2 5,-0.3 0.899 77.7 49.8 -62.5 -45.6 38.2 5.6 8.8 118 140 A D H > S+ 0 0 115 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 114.3 46.8 -56.5 -47.1 40.9 8.3 8.3 119 141 A L H > S+ 0 0 51 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.931 114.8 45.8 -58.5 -49.0 39.2 9.4 5.1 120 142 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.884 113.2 48.7 -65.9 -43.1 35.7 9.4 6.6 121 143 A E H X S+ 0 0 31 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.954 111.0 51.5 -60.1 -48.8 36.7 11.3 9.7 122 144 A K H X S+ 0 0 99 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.919 112.9 44.3 -53.3 -50.7 38.5 13.9 7.6 123 145 A L H X S+ 0 0 1 -4,-2.2 4,-3.2 1,-0.2 6,-0.3 0.869 109.3 56.1 -65.3 -37.8 35.4 14.4 5.4 124 146 A S H X>S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 5,-0.9 0.921 112.7 42.4 -59.2 -46.9 33.1 14.5 8.3 125 147 A K H <5S+ 0 0 129 -4,-2.3 -2,-0.2 2,-0.2 3,-0.2 0.947 116.1 48.7 -64.1 -50.3 35.2 17.4 9.8 126 148 A Q H <5S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 122.8 31.9 -54.7 -45.5 35.6 19.1 6.4 127 149 A Y H <5S- 0 0 44 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.547 98.4-128.8 -97.0 -9.0 31.9 19.0 5.5 128 150 A N T <5 + 0 0 135 -4,-1.4 2,-0.4 -5,-0.3 -3,-0.2 0.824 62.0 136.1 60.8 39.3 30.4 19.2 9.0 129 151 A I < - 0 0 6 -5,-0.9 -1,-0.2 -6,-0.3 -22,-0.2 -0.951 51.6-124.8-119.3 128.6 28.1 16.1 8.4 130 152 A K E -e 107 0A 101 -24,-2.5 -22,-2.2 -2,-0.4 2,-0.5 -0.408 12.5-140.3 -76.4 152.7 27.8 13.5 11.1 131 153 A I E -ef 108 159A 0 27,-2.7 29,-2.9 -24,-0.2 2,-0.6 -0.960 14.0-171.3-120.7 119.5 28.5 9.8 10.6 132 154 A S E -ef 109 160A 0 -24,-2.2 -22,-2.2 -2,-0.5 2,-0.6 -0.904 16.6-144.5-122.2 103.8 26.2 7.3 12.2 133 155 A V E -ef 110 161A 1 27,-3.2 29,-2.2 -2,-0.6 2,-0.2 -0.637 12.9-142.9 -84.7 114.8 27.5 3.7 11.9 134 156 A H E - f 0 162A 15 -24,-2.4 2,-0.4 -2,-0.6 8,-0.2 -0.518 8.0-147.5 -79.3 138.4 24.8 1.2 11.5 135 157 A N + 0 0 2 27,-0.9 32,-0.2 -2,-0.2 8,-0.1 -0.883 20.9 170.0 -99.3 139.0 25.0 -2.2 13.2 136 158 A H - 0 0 69 -2,-0.4 6,-0.1 31,-0.1 28,-0.0 -0.948 41.5 -74.5-137.1 166.3 23.6 -5.4 11.6 137 159 A P S S- 0 0 37 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.075 74.0 -45.6 -54.9 158.7 23.9 -9.1 12.5 138 160 A Q S S+ 0 0 102 5,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.315 110.9 59.7 -63.3 148.9 27.1 -11.1 11.7 139 161 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.385 94.1 95.1 -80.0 131.7 28.9 -11.4 9.4 140 162 A S S S- 0 0 28 1,-0.1 3,-0.3 -2,-0.1 -2,-0.1 -0.954 74.1-116.2-170.7 170.1 29.6 -7.6 9.7 141 163 A D S S+ 0 0 76 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.805 107.4 37.8 -91.3 -29.6 32.2 -5.2 11.2 142 164 A Y S S+ 0 0 3 -8,-0.2 -1,-0.2 1,-0.2 6,-0.2 0.008 70.0 126.6-113.4 28.6 29.9 -3.3 13.7 143 165 A W S S+ 0 0 46 -3,-0.3 -1,-0.2 -8,-0.1 28,-0.1 0.657 78.2 31.8 -68.3 -18.9 27.6 -6.0 15.0 144 166 A K S >> S- 0 0 52 -3,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.953 88.2-114.8-132.0 154.5 28.5 -5.2 18.7 145 167 A P H >> S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 3,-0.7 0.873 109.6 62.9 -59.7 -41.0 29.4 -1.8 20.2 146 168 A E H 3> S+ 0 0 92 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.772 101.4 53.6 -58.9 -23.1 33.0 -2.6 21.2 147 169 A N H <> S+ 0 0 37 -3,-1.2 4,-1.1 2,-0.2 -1,-0.3 0.883 110.5 46.3 -78.7 -33.3 33.8 -3.2 17.5 148 170 A L H < S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.1 -3,-0.2 0.565 80.1 123.3-115.8 -10.5 36.0 5.3 16.2 153 175 A S T 3< S+ 0 0 91 -4,-2.3 3,-0.1 -5,-0.3 32,-0.0 -0.260 85.7 18.3 -57.1 135.3 37.2 5.9 19.9 154 176 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.246 104.7 108.2 86.5 -15.7 39.4 9.0 19.9 155 177 A R S < S- 0 0 59 -3,-2.4 -1,-0.3 1,-0.2 4,-0.1 -0.287 81.5 -45.4 -85.0 179.1 38.1 10.3 16.6 156 178 A S > - 0 0 20 1,-0.2 3,-1.9 -3,-0.1 -1,-0.2 -0.017 45.0-127.1 -42.2 136.5 35.8 13.3 15.9 157 179 A Q T 3 S+ 0 0 145 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.588 106.1 76.9 -61.8 -10.9 32.7 13.6 18.1 158 180 A S T 3 S+ 0 0 20 -37,-0.1 -27,-2.7 -28,-0.1 2,-0.4 0.479 83.5 80.3 -76.3 -5.8 30.8 13.8 14.7 159 181 A L E < +f 131 0A 0 -3,-1.9 2,-0.3 -29,-0.2 -27,-0.2 -0.889 60.1 117.4-106.2 134.0 31.3 10.1 14.5 160 182 A G E -f 132 0A 0 -29,-2.9 -27,-3.2 -2,-0.4 2,-0.3 -0.888 54.4 -49.4-168.0-162.6 29.0 7.7 16.3 161 183 A S E -fg 133 186A 1 24,-3.2 26,-1.8 -29,-0.3 27,-1.7 -0.716 18.0-151.9 -95.5 141.6 26.4 4.9 16.2 162 184 A C E -fg 134 188A 0 -29,-2.2 -27,-0.9 -2,-0.3 2,-0.7 -0.917 40.7-142.2 -95.9 94.0 23.2 4.5 14.2 163 185 A S E - g 0 189A 0 25,-2.5 27,-2.5 -2,-0.9 2,-0.9 -0.520 23.1-171.6 -76.6 105.7 21.9 2.3 17.0 164 186 A D E > - g 0 190A 0 -2,-0.7 4,-1.5 25,-0.2 27,-0.1 -0.848 4.0-175.0 -93.5 97.9 19.8 -0.6 15.6 165 187 A V H > S+ 0 0 0 25,-1.0 4,-1.4 -2,-0.9 -1,-0.2 0.833 78.5 55.2 -70.2 -28.9 18.4 -1.9 18.8 166 188 A G H > S+ 0 0 0 24,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.941 104.6 50.6 -67.3 -52.0 16.8 -4.8 17.1 167 189 A H H > S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.805 106.4 56.0 -61.5 -30.4 19.9 -6.1 15.4 168 190 A W H ><>S+ 0 0 2 -4,-1.5 5,-2.1 2,-0.2 3,-0.5 0.915 109.9 45.3 -65.4 -44.2 21.8 -6.1 18.7 169 191 A R H ><5S+ 0 0 83 -4,-1.4 3,-2.4 1,-0.2 -2,-0.2 0.887 105.7 60.3 -66.2 -36.4 19.2 -8.3 20.4 170 192 A R H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.5 53.7 -63.1 -19.1 19.1 -10.6 17.3 171 193 A E T <<5S- 0 0 46 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.249 125.4-104.5 -92.6 6.6 22.9 -11.1 18.1 172 194 A G T < 5S+ 0 0 69 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.693 76.0 139.6 80.4 16.9 22.0 -12.1 21.7 173 195 A L < - 0 0 44 -5,-2.1 2,-1.0 -6,-0.1 -1,-0.3 -0.641 64.6-111.3 -94.3 152.7 23.2 -8.9 23.2 174 196 A N > - 0 0 98 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.754 31.9-160.2 -80.0 105.1 21.5 -6.9 25.9 175 197 A Q H > S+ 0 0 3 -2,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.799 86.7 55.4 -64.4 -31.6 20.3 -4.0 23.8 176 198 A I H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 109.9 47.1 -67.1 -42.7 19.9 -1.7 26.8 177 199 A D H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.813 105.4 59.6 -65.8 -30.5 23.5 -2.3 27.7 178 200 A C H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.952 107.3 46.7 -61.8 -44.1 24.6 -1.7 24.1 179 201 A L H < S+ 0 0 0 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.926 110.5 53.3 -58.8 -45.5 23.1 1.8 24.4 180 202 A K H >< S+ 0 0 87 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.945 107.5 50.4 -55.5 -51.5 24.9 2.3 27.8 181 203 A Q H 3< S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.7 52.5 -58.0 -29.8 28.2 1.4 26.1 182 204 A L T >< S+ 0 0 1 -4,-1.4 3,-2.4 -3,-0.3 -1,-0.3 0.191 75.6 145.3 -95.5 16.8 27.6 3.9 23.4 183 205 A K T < S+ 0 0 125 -3,-1.9 -3,-0.1 1,-0.3 44,-0.0 -0.285 76.8 12.7 -55.0 135.7 26.9 6.9 25.6 184 206 A G T 3 S+ 0 0 61 42,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.480 121.8 72.0 74.0 2.0 28.1 10.0 24.0 185 207 A R < + 0 0 25 -3,-2.4 -24,-3.2 -25,-0.1 2,-0.6 0.059 64.1 105.7-134.2 23.4 28.6 8.1 20.8 186 208 A I E +g 161 0A 15 -26,-0.3 43,-0.3 1,-0.2 -24,-0.2 -0.963 34.7 171.4-102.8 117.1 25.0 7.6 19.5 187 209 A I E - 0 0 22 -26,-1.8 44,-0.5 -2,-0.6 2,-0.3 0.868 66.1 -21.3 -83.9 -48.1 24.2 10.0 16.6 188 210 A S E -gh 162 231A 0 -27,-1.7 -25,-2.5 42,-0.2 -1,-0.3 -0.914 64.0-123.7-151.0 175.3 20.8 8.5 15.6 189 211 A L E -gh 163 232A 0 42,-2.3 44,-2.2 -27,-0.3 2,-0.6 -0.892 13.4-147.3-128.0 157.0 18.7 5.3 15.9 190 212 A H E -gh 164 233A 0 -27,-2.5 -25,-1.0 -2,-0.3 -24,-0.5 -0.929 42.6-161.7-110.5 86.6 16.9 2.7 13.9 191 213 A F E + h 0 234A 0 42,-1.8 44,-1.3 -2,-0.6 2,-0.3 -0.615 26.1 135.7 -82.0 137.8 14.3 2.3 16.6 192 214 A K - 0 0 0 -2,-0.3 2,-0.3 42,-0.1 16,-0.1 -0.947 41.7-133.8-164.6 170.6 12.1 -0.8 16.5 193 215 A D E -J 207 0C 2 14,-0.6 14,-2.3 -2,-0.3 2,-0.3 -0.941 26.7-155.8-132.6 152.9 10.7 -3.6 18.8 194 216 A I E -J 206 0C 0 -2,-0.3 19,-2.4 12,-0.3 20,-0.3 -0.949 15.9-107.6-137.2 156.9 10.8 -7.3 17.8 195 217 A A - 0 0 19 10,-2.7 17,-0.1 -2,-0.3 3,-0.1 -0.321 50.3 -86.3 -73.2 157.6 9.1 -10.6 18.5 196 218 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.241 53.2 -99.4 -57.5 152.6 10.6 -13.3 20.6 197 219 A K - 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