==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-10 3O61 . COMPND 2 MOLECULE: GDP-MANNOSE PYROPHOSPHATASE NUDK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.M.AMZEL,S.B.GABELLI,A.N.BOTO . 746 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 90 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 4 0 0 0 0 1 3 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 0 0 0 4 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 . 3 0 5 7 2 6 0 2 1 5 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 4 0 0 0 4 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 M 0 0 2 0, 0.0 338,-0.1 0, 0.0 253,-0.1 0.000 360.0 360.0 360.0 8.8 9.6 8.6 88.5 2 2 A T - 0 0 52 336,-0.1 2,-0.2 1,-0.1 27,-0.1 0.914 360.0 -36.1 -49.7 -97.8 7.9 5.8 90.4 3 3 A Q E S+A 28 0A 145 25,-0.5 25,-0.9 1,-0.2 -1,-0.1 -0.758 95.5 59.4-133.3 177.3 10.2 3.0 91.7 4 4 A Q E - 0 0 116 -2,-0.2 24,-1.6 1,-0.2 2,-0.7 0.968 52.1-172.2 59.8 90.0 13.3 1.1 90.9 5 5 A I E -A 27 0A 34 22,-0.2 2,-0.7 -3,-0.1 22,-0.2 -0.887 0.9-171.0-110.7 95.9 16.1 3.7 90.5 6 6 A T E -A 26 0A 66 20,-1.8 20,-2.2 -2,-0.7 2,-0.3 -0.805 17.9-138.4 -86.3 116.4 19.2 1.9 89.2 7 7 A L E +A 25 0A 95 -2,-0.7 18,-0.2 18,-0.2 3,-0.1 -0.593 30.3 167.3 -63.7 131.6 22.3 4.2 89.3 8 8 A I E + 0 0 69 16,-2.5 2,-0.3 -2,-0.3 17,-0.2 0.687 56.6 6.2-120.3 -39.2 24.3 3.7 86.1 9 9 A K E -A 24 0A 125 15,-1.7 15,-2.7 2,-0.0 2,-0.6 -0.953 41.2-169.8-159.2 132.1 26.9 6.5 85.8 10 10 A D E -A 23 0A 82 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.916 22.6-178.3-119.1 97.0 28.2 9.4 87.8 11 11 A K E -A 22 0A 127 11,-3.4 11,-3.6 -2,-0.6 2,-0.7 -0.868 24.3-133.3 -98.8 134.4 30.5 11.5 85.6 12 12 A I E +A 21 0A 86 -2,-0.5 9,-0.2 9,-0.2 3,-0.1 -0.744 22.4 179.6 -81.0 114.9 32.3 14.5 86.9 13 13 A L E S- 0 0 34 7,-3.2 2,-0.3 -2,-0.7 8,-0.2 0.743 72.8 -2.2 -84.0 -25.4 31.8 17.4 84.5 14 14 A S E +A 20 0A 15 6,-1.2 6,-2.7 187,-0.1 -1,-0.3 -0.883 50.9 173.9-170.8 130.1 33.8 19.9 86.5 15 15 A D + 0 0 104 -2,-0.3 4,-0.2 4,-0.2 -3,-0.0 -0.156 41.8 121.1-138.2 35.7 35.7 19.7 89.9 16 16 A N S S- 0 0 85 2,-0.2 3,-0.1 1,-0.0 -1,-0.0 1.000 99.2 -23.0 -64.4 -69.3 37.5 23.1 90.1 17 17 A Y S S+ 0 0 171 1,-0.4 2,-0.2 -3,-0.0 -2,-0.0 0.734 139.1 11.8-117.6 -52.4 36.0 24.4 93.3 18 18 A F S S- 0 0 38 27,-0.0 2,-0.4 2,-0.0 -1,-0.4 -0.666 90.4 -99.4-117.7-174.5 32.7 22.6 93.7 19 19 A T E - B 0 43A 27 24,-1.7 24,-2.8 -2,-0.2 2,-0.5 -0.886 21.8-165.2-122.1 136.4 31.6 19.6 91.7 20 20 A L E -AB 14 42A 0 -6,-2.7 -7,-3.2 -2,-0.4 -6,-1.2 -0.958 17.7-170.6-115.0 120.6 29.3 19.2 88.7 21 21 A H E -AB 12 41A 30 20,-3.3 20,-2.6 -2,-0.5 2,-0.5 -0.826 21.2-146.6-110.3 151.5 28.2 15.7 88.0 22 22 A N E -AB 11 40A 30 -11,-3.6 -11,-3.4 -2,-0.3 2,-0.5 -0.994 26.1-161.7-106.4 123.4 26.3 14.2 85.1 23 23 A I E -AB 10 39A 4 16,-2.0 16,-2.2 -2,-0.5 2,-0.6 -0.927 10.7-163.5-115.1 122.7 24.1 11.4 86.5 24 24 A T E +AB 9 38A 7 -15,-2.7 -16,-2.5 -2,-0.5 -15,-1.7 -0.906 20.9 167.7-104.8 118.8 22.6 8.6 84.5 25 25 A Y E -AB 7 37A 2 12,-1.9 12,-3.1 -2,-0.6 2,-0.4 -0.935 25.6-139.8-129.7 157.1 19.8 6.7 86.1 26 26 A D E -AB 6 36A 18 -20,-2.2 -20,-1.8 -2,-0.3 2,-0.5 -0.966 7.6-159.7-114.6 131.8 17.2 4.2 85.1 27 27 A L E -AB 5 35A 1 8,-2.2 8,-2.4 -2,-0.4 2,-0.5 -0.951 10.4-153.2-105.2 129.0 13.6 4.2 86.2 28 28 A T E -AB 3 34A 21 -24,-1.6 -25,-0.5 -25,-0.9 6,-0.2 -0.915 14.2-143.9-105.8 124.3 11.7 0.9 85.8 29 29 A R > - 0 0 50 4,-2.6 3,-2.5 -2,-0.5 5,-0.0 -0.221 31.8 -90.2 -81.1 166.7 7.9 1.0 85.4 30 30 A K T 3 S+ 0 0 194 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.839 128.6 47.6 -40.2 -48.1 5.0 -1.1 86.6 31 31 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.647 124.7-101.8 -72.7 -16.4 5.2 -3.2 83.4 32 32 A G < + 0 0 46 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.531 70.0 152.6 101.1 10.5 9.0 -3.6 83.7 33 33 A E - 0 0 108 1,-0.0 -4,-2.6 -5,-0.0 2,-0.5 -0.583 34.4-145.2 -77.3 129.8 9.8 -0.9 81.1 34 34 A V E -B 28 0A 77 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.854 14.8-172.8-107.0 125.2 13.2 0.8 81.6 35 35 A I E -B 27 0A 54 -8,-2.4 -8,-2.2 -2,-0.5 2,-0.4 -0.958 14.8-142.3-118.7 130.3 13.7 4.5 80.8 36 36 A R E -B 26 0A 142 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.778 19.2-174.9 -99.4 134.2 17.1 6.1 81.0 37 37 A H E -B 25 0A 25 -12,-3.1 -12,-1.9 -2,-0.4 2,-0.4 -0.900 11.9-155.5-125.0 153.5 17.5 9.7 82.2 38 38 A K E +B 24 0A 133 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.997 16.7 177.0-133.0 129.4 20.5 12.0 82.4 39 39 A R E -B 23 0A 74 -16,-2.2 -16,-2.0 -2,-0.4 2,-0.2 -0.950 28.1-132.3-143.0 125.9 20.8 14.9 84.9 40 40 A E E -B 22 0A 8 -2,-0.4 2,-0.4 -18,-0.2 -18,-0.2 -0.440 26.6-169.2 -62.1 131.8 23.3 17.5 85.8 41 41 A V E -B 21 0A 1 -20,-2.6 -20,-3.3 -2,-0.2 2,-0.5 -0.973 7.3-158.0-133.2 117.3 23.8 17.7 89.5 42 42 A Y E -Bc 20 125A 0 82,-2.2 84,-2.0 -2,-0.4 2,-0.8 -0.868 5.5-162.0-102.6 121.3 25.8 20.5 91.1 43 43 A D E +B 19 0A 62 -24,-2.8 -24,-1.7 -2,-0.5 3,-0.1 -0.854 28.5 152.5-109.6 98.5 27.2 19.8 94.6 44 44 A R - 0 0 30 -2,-0.8 -1,-0.1 1,-0.3 -24,-0.0 0.242 60.0-110.9-102.5 14.0 28.2 22.9 96.5 45 45 A G - 0 0 27 42,-0.1 -1,-0.3 43,-0.1 2,-0.1 -0.135 43.2 -63.8 83.1 170.8 27.6 21.3 99.9 46 46 A N - 0 0 33 81,-0.2 42,-1.8 43,-0.1 43,-0.4 -0.346 50.0-162.2 -89.3 175.0 24.8 22.1 102.3 47 47 A G E -De 87 129B 4 81,-2.6 83,-2.2 40,-0.3 2,-0.3 -0.869 10.6-139.4-144.5 175.2 24.3 25.5 104.2 48 48 A A E -De 86 130B 2 38,-2.4 38,-2.5 -2,-0.3 2,-0.3 -0.990 12.9-169.4-142.2 147.6 22.5 27.1 107.1 49 49 A T E -De 85 131B 0 81,-2.6 83,-2.2 -2,-0.3 2,-0.4 -0.965 4.3-161.3-134.0 149.4 20.7 30.5 107.5 50 50 A I E - e 0 132B 1 34,-2.3 2,-0.6 -2,-0.3 34,-0.4 -0.975 11.4-148.5-133.0 148.2 19.4 32.3 110.5 51 51 A L E - e 0 133B 0 81,-1.7 83,-1.8 -2,-0.4 2,-0.6 -0.967 14.4-154.8-113.3 117.8 17.0 35.1 111.1 52 52 A L E +Fe 61 134B 1 9,-1.1 9,-3.4 -2,-0.6 2,-0.3 -0.817 21.2 172.5 -90.6 128.1 17.8 37.3 114.0 53 53 A Y E -Fe 60 135B 19 81,-1.7 83,-2.8 -2,-0.6 2,-0.4 -0.938 20.8-151.6-131.3 157.4 14.7 39.0 115.5 54 54 A N E >>> -F 59 0B 6 5,-2.9 4,-1.8 -2,-0.3 5,-1.5 -0.976 5.5-164.9-135.6 123.4 14.0 41.1 118.6 55 55 A T T 345S+ 0 0 52 -2,-0.4 -1,-0.1 1,-0.2 80,-0.0 0.439 87.1 64.5 -89.0 -2.9 10.7 41.3 120.5 56 56 A K T 345S+ 0 0 182 3,-0.1 -1,-0.2 1,-0.1 81,-0.0 0.740 122.2 16.8 -86.6 -26.5 11.5 44.4 122.4 57 57 A K T <45S- 0 0 90 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.573 97.7-120.6-121.5 -14.5 11.8 46.6 119.3 58 58 A K T <5 + 0 0 84 -4,-1.8 99,-2.6 1,-0.3 100,-0.4 0.923 68.3 137.9 63.4 48.8 10.0 44.5 116.6 59 59 A T E < -FG 54 156B 15 -5,-1.5 -5,-2.9 97,-0.3 2,-0.3 -0.812 39.8-158.3-118.8 160.6 13.2 44.5 114.6 60 60 A V E -FG 53 155B 0 95,-2.5 95,-1.7 -2,-0.3 2,-0.5 -0.968 15.3-131.0-130.7 151.2 15.1 41.8 112.6 61 61 A V E +FG 52 154B 3 -9,-3.4 -9,-1.1 -2,-0.3 23,-0.4 -0.919 34.9 155.0-106.6 129.4 18.7 41.5 111.5 62 62 A L E - G 0 153B 1 91,-2.1 91,-3.4 -2,-0.5 21,-0.2 -0.806 26.4-133.7-129.5 178.3 19.6 40.8 108.0 63 63 A I E -HG 82 152B 0 19,-3.3 19,-2.1 -2,-0.3 2,-0.3 -0.691 3.1-148.8-124.2 179.2 22.6 41.4 105.7 64 64 A R E +HG 81 151B 81 87,-1.1 87,-2.5 17,-0.2 2,-0.3 -0.933 25.4 152.4-152.6 133.0 23.5 42.6 102.2 65 65 A Q E -H 80 0B 18 15,-1.2 15,-2.7 -2,-0.3 2,-0.5 -0.935 49.9 -80.5-153.1 165.7 26.4 41.6 100.0 66 66 A F E -H 79 0B 10 -2,-0.3 2,-0.7 13,-0.3 13,-0.3 -0.648 36.3-168.7 -79.1 121.1 27.3 41.4 96.3 67 67 A R >> - 0 0 48 11,-3.2 3,-1.7 -2,-0.5 4,-1.5 -0.872 4.2-169.4-109.8 101.3 25.9 38.2 94.7 68 68 A V H 3> S+ 0 0 5 -2,-0.7 4,-2.2 1,-0.3 5,-0.2 0.825 84.0 64.1 -60.5 -33.8 27.6 37.9 91.3 69 69 A A H 34 S+ 0 0 0 240,-0.4 -1,-0.3 241,-0.4 241,-0.1 0.725 108.6 42.2 -60.4 -24.9 25.2 35.0 90.2 70 70 A T H X4>S+ 0 0 0 -3,-1.7 5,-2.6 239,-0.2 3,-0.8 0.709 107.1 61.3 -92.1 -29.4 22.3 37.6 90.5 71 71 A W H 3<5S+ 0 0 73 -4,-1.5 3,-0.4 7,-0.2 -2,-0.2 0.873 105.7 47.0 -60.7 -40.0 24.4 40.3 88.8 72 72 A V T 3<5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.502 115.7 51.9 -78.0 -2.0 24.6 38.1 85.7 73 73 A N T < 5S- 0 0 29 -3,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.430 128.5 -63.1-138.7 60.4 20.8 37.5 86.0 74 74 A G T 5S+ 0 0 67 -3,-0.4 2,-1.2 1,-0.1 -3,-0.2 0.237 93.3 117.9 90.2 -14.1 18.6 40.6 86.3 75 75 A N > < - 0 0 9 -5,-2.6 3,-0.7 1,-0.2 -1,-0.1 -0.690 47.9-163.9 -92.8 89.5 19.9 42.1 89.6 76 76 A E T 3 S+ 0 0 174 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.813 84.2 33.1 -43.3 -57.1 21.3 45.5 88.4 77 77 A S T 3 S- 0 0 61 2,-0.2 -1,-0.3 1,-0.1 -6,-0.1 0.782 95.0-139.1 -76.6 -22.9 23.4 46.4 91.4 78 78 A G < + 0 0 0 -3,-0.7 -11,-3.2 1,-0.3 -7,-0.2 0.130 63.4 123.3 84.8 -23.8 24.2 42.8 92.2 79 79 A Q E -H 66 0B 36 -13,-0.3 2,-0.4 -9,-0.1 -1,-0.3 -0.482 44.8-163.3 -65.8 141.5 23.8 43.5 95.9 80 80 A L E -H 65 0B 4 -15,-2.7 -15,-1.2 -2,-0.2 2,-0.3 -0.982 17.7-137.4-136.5 129.0 21.3 41.3 97.7 81 81 A I E +H 64 0B 14 87,-0.5 89,-0.4 -2,-0.4 2,-0.3 -0.651 43.6 149.6 -79.4 135.9 19.4 41.6 101.0 82 82 A E E -H 63 0B 0 -19,-2.1 -19,-3.3 -2,-0.3 2,-0.2 -0.984 50.5 -89.6-161.1 157.1 19.3 38.2 102.8 83 83 A S - 0 0 0 -2,-0.3 -21,-0.2 -21,-0.2 -32,-0.1 -0.518 64.1 -85.3 -67.9 139.8 19.2 36.5 106.1 84 84 A C + 0 0 2 -34,-0.4 -34,-2.3 -23,-0.4 2,-0.3 -0.222 63.7 170.4 -40.5 141.8 22.7 35.7 107.5 85 85 A A E +D 49 0B 18 -36,-0.3 2,-0.3 15,-0.2 -36,-0.2 -0.987 17.5 179.8-164.2 148.4 23.9 32.4 106.0 86 86 A G E -D 48 0B 20 -38,-2.5 -38,-2.4 -2,-0.3 2,-0.2 -0.964 32.8-103.2-149.1 157.3 27.0 30.2 105.7 87 87 A L E -D 47 0B 59 -2,-0.3 -40,-0.3 -40,-0.2 3,-0.1 -0.600 31.2-124.3 -79.7 151.9 28.2 26.9 104.2 88 88 A L > + 0 0 26 -42,-1.8 3,-2.8 -2,-0.2 2,-0.2 0.881 42.7 168.3 -59.8 -39.6 28.5 23.9 106.6 89 89 A D T 3 S- 0 0 138 -43,-0.4 -1,-0.2 1,-0.3 -43,-0.1 -0.435 78.6 -26.4 51.2-122.9 32.1 23.2 105.7 90 90 A N T 3 S+ 0 0 127 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.296 120.2 103.6 -96.0 7.4 33.2 20.7 108.4 91 91 A D S < S- 0 0 16 -3,-2.8 526,-0.1 -4,-0.1 6,-0.0 -0.673 72.8-118.9-103.8 143.7 30.6 22.0 110.9 92 92 A E > - 0 0 143 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.382 46.0 -99.9 -61.6 154.4 27.2 20.8 112.2 93 93 A P H > S+ 0 0 15 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.857 121.8 50.7 -52.1 -41.5 24.4 23.3 111.4 94 94 A E H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.960 115.2 41.0 -61.3 -52.5 24.4 24.8 114.9 95 95 A V H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.978 116.1 51.8 -58.7 -56.6 28.1 25.4 114.9 96 96 A C H X S+ 0 0 6 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.925 113.7 42.8 -40.6 -59.7 28.1 26.6 111.3 97 97 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.773 110.5 53.9 -71.2 -27.5 25.3 29.0 112.0 98 98 A R H X S+ 0 0 7 -4,-2.4 4,-1.4 -3,-0.3 11,-0.2 0.947 115.0 41.2 -67.8 -46.5 26.6 30.4 115.3 99 99 A K H >X S+ 0 0 41 -4,-2.3 4,-2.2 2,-0.2 3,-0.9 0.968 113.0 53.9 -65.7 -52.3 29.9 31.3 113.7 100 100 A A H 3X S+ 0 0 7 -4,-3.0 4,-2.4 -5,-0.3 5,-0.4 0.909 109.2 51.1 -43.9 -48.9 28.3 32.5 110.5 101 101 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 6,-1.2 0.809 111.7 44.7 -62.0 -33.6 26.2 34.8 112.7 102 102 A I H << S+ 0 0 24 -4,-1.4 43,-0.3 -3,-0.9 -1,-0.2 0.724 116.4 44.4 -91.6 -21.1 29.1 36.3 114.6 103 103 A E H < S+ 0 0 114 -4,-2.2 -2,-0.2 -3,-0.3 -3,-0.2 0.836 126.7 30.2 -79.4 -41.0 31.4 36.8 111.5 104 104 A E H < S+ 0 0 26 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.912 139.4 17.5 -89.7 -45.4 28.6 38.3 109.4 105 105 A T S < S- 0 0 2 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.465 91.4-131.0-108.2 -9.3 26.3 40.0 111.9 106 106 A G + 0 0 0 -5,-0.4 36,-2.2 -6,-0.2 37,-1.3 0.618 61.5 131.9 67.4 13.0 28.6 40.2 114.9 107 107 A Y B -K 141 0C 1 -6,-1.2 2,-0.9 34,-0.2 34,-0.3 -0.861 55.7-140.6-100.4 130.1 26.0 38.8 117.3 108 108 A E - 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0 0 145 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.525 45.8-100.0 -66.9 149.7 51.4 43.2 124.6 654 93 D P H > S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.800 119.1 46.2 -47.0 -39.5 48.6 40.8 125.7 655 94 D E H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.958 112.9 47.7 -76.4 -51.1 48.3 38.9 122.4 656 95 D V H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 115.2 50.1 -39.0 -54.3 52.0 38.4 121.9 657 96 D C H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.933 112.1 44.2 -60.4 -49.1 52.0 37.3 125.5 658 97 D I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.833 111.3 52.0 -68.6 -35.4 49.2 34.8 125.2 659 98 D R H X S+ 0 0 77 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.906 112.6 47.6 -68.7 -37.6 50.3 33.2 122.0 660 99 D K H X S+ 0 0 103 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.934 111.8 49.8 -66.2 -43.2 53.8 32.7 123.6 661 100 D A H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.5 0.894 108.3 55.3 -63.6 -35.8 52.2 31.2 126.7 662 101 D A H X>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 4,-1.5 0.909 109.5 42.4 -67.0 -45.7 50.1 28.9 124.6 663 102 D I H <5S+ 0 0 47 -4,-1.8 43,-0.4 4,-0.2 -1,-0.2 0.887 118.7 46.1 -72.5 -34.0 52.8 27.2 122.7 664 103 D E H <5S+ 0 0 81 -4,-1.9 44,-2.8 -5,-0.2 -2,-0.2 0.898 125.5 27.1 -73.9 -40.8 55.1 27.0 125.8 665 104 D E H <5S+ 0 0 10 -4,-2.8 42,-1.7 41,-0.3 -3,-0.2 0.914 140.3 19.6 -88.6 -47.8 52.5 25.6 128.3 666 105 D T T <5S- 0 0 2 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.1 0.734 91.2-134.2 -94.3 -31.6 50.1 23.8 126.0 667 106 D G < + 0 0 0 -5,-1.7 36,-1.6 1,-0.3 37,-1.5 0.309 62.5 126.2 91.6 -10.4 52.3 23.3 122.9 668 107 D Y B -Q 702 0K 1 -6,-0.7 2,-0.8 34,-0.2 -1,-0.3 -0.671 56.3-140.8 -80.9 132.2 49.5 24.5 120.5 669 108 D E - 0 0 120 32,-3.4 2,-0.2 -2,-0.4 -9,-0.1 -0.874 28.1-138.5 -91.8 113.6 50.2 27.3 118.1 670 109 D V - 0 0 8 -2,-0.8 3,-0.1 -11,-0.2 27,-0.1 -0.452 19.5-169.7 -79.8 136.1 47.1 29.3 118.0 671 110 D G + 0 0 37 25,-0.6 -1,-0.1 1,-0.3 26,-0.0 0.507 67.6 14.3 -82.2-123.8 45.5 30.8 114.9 672 111 D E S S- 0 0 171 1,-0.1 24,-0.5 23,-0.0 2,-0.4 -0.241 73.7-161.2 -54.6 140.6 42.6 33.2 115.2 673 112 D V - 0 0 33 22,-0.1 2,-0.5 -3,-0.1 22,-0.2 -0.990 7.1-151.6-133.6 131.9 42.2 34.6 118.8 674 113 D R E - M 0 694I 54 20,-3.6 20,-2.7 -2,-0.4 2,-0.5 -0.917 6.6-151.3-114.5 127.8 39.2 36.2 120.4 675 114 D K E + M 0 693I 82 -2,-0.5 18,-0.2 18,-0.2 3,-0.1 -0.845 15.6 176.5-101.3 127.5 39.6 38.7 123.2 676 115 D L E - 0 0 23 16,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.893 53.6 -46.6 -96.9 -54.1 36.7 39.0 125.6 677 116 D F E - M 0 692I 16 15,-0.7 15,-3.4 2,-0.0 2,-0.5 -0.981 39.8-107.9-172.6 169.4 37.7 41.5 128.3 678 117 D E E - M 0 691I 87 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.978 43.7-177.9-111.9 121.9 40.3 42.8 130.7 679 118 D L E - M 0 690I 0 11,-2.4 11,-3.4 -2,-0.5 2,-0.5 -0.939 31.3-130.3-131.1 144.3 39.4 42.1 134.4 680 119 D Y E -gM 544 689I 1 -137,-2.6 -135,-2.9 -2,-0.4 -134,-0.3 -0.808 22.5-168.0 -83.6 126.6 40.7 42.8 137.8 681 120 D M S S+ 0 0 3 7,-1.2 -135,-0.3 -2,-0.5 -1,-0.2 0.867 79.2 11.8 -88.1 -39.4 40.8 39.5 139.6 682 121 D S S > S+ 0 0 2 6,-0.4 4,-1.2 4,-0.1 3,-0.3 -0.594 71.2 168.1-136.0 74.1 41.4 40.5 143.2 683 122 D P T 4 + 0 0 5 0, 0.0 -237,-0.4 0, 0.0 -236,-0.2 0.418 60.3 77.3 -80.7 3.5 40.9 44.2 143.3 684 123 D G T 4 S- 0 0 16 1,-0.1 -238,-0.6 -238,-0.1 -237,-0.1 0.988 125.3 -10.3 -69.3 -63.5 40.9 44.7 147.0 685 124 D G T 4 S+ 0 0 0 -3,-0.3 -82,-1.9 -83,-0.1 2,-0.4 0.020 120.8 83.0-126.2 27.2 44.6 44.4 147.6 686 125 D V B < -p 603 0J 0 -4,-1.2 -82,-0.2 -84,-0.2 -4,-0.1 -0.998 56.8-154.9-136.2 145.0 45.9 43.2 144.2 687 126 D T + 0 0 3 -84,-2.0 -83,-0.1 -2,-0.4 -1,-0.1 0.675 49.0 137.9 -84.4 -16.7 46.7 45.2 141.1 688 127 D E - 0 0 15 -85,-0.3 -7,-1.2 -6,-0.2 2,-0.5 0.041 28.7-179.0 -57.1 123.8 46.2 42.3 138.8 689 128 D L E - M 0 680I 14 -9,-0.2 -81,-2.1 -83,-0.1 2,-0.5 -0.986 13.0-158.1-112.1 127.4 44.4 42.9 135.5 690 129 D I E -iM 608 679I 11 -11,-3.4 -11,-2.4 -2,-0.5 2,-0.5 -0.930 9.4-142.2-106.0 129.2 44.0 39.7 133.4 691 130 D H E -iM 609 678I 13 -83,-2.3 -81,-2.2 -2,-0.5 2,-0.5 -0.788 21.8-142.2 -89.1 125.7 43.4 39.9 129.7 692 131 D F E +iM 610 677I 0 -15,-3.4 -16,-2.7 -2,-0.5 -15,-0.7 -0.772 24.3 172.8-101.6 124.4 40.9 37.1 128.6 693 132 D F E -iM 611 675I 5 -83,-2.2 -81,-1.9 -2,-0.5 2,-0.3 -0.900 13.0-172.0-123.8 150.9 41.2 35.3 125.4 694 133 D I E +iM 612 674I 6 -20,-2.7 -20,-3.6 -2,-0.3 2,-0.3 -0.973 12.6 173.8-131.9 155.6 39.6 32.3 123.7 695 134 D A E -i 613 0I 2 -83,-2.3 -81,-2.2 -2,-0.3 2,-0.3 -0.991 32.2-113.1-156.3 151.5 40.6 30.5 120.5 696 135 D E E -i 614 0I 67 -24,-0.5 -25,-0.6 -2,-0.3 2,-0.3 -0.665 36.5-161.0 -80.1 139.6 39.7 27.5 118.4 697 136 D Y - 0 0 5 -83,-2.1 2,-0.3 -2,-0.3 -81,-0.2 -0.827 8.7-164.3-123.5 162.7 42.4 24.7 118.2 698 137 D S - 0 0 45 -2,-0.3 4,-0.1 -83,-0.1 -83,-0.0 -0.903 33.0-110.9-141.4 162.0 43.3 21.8 115.9 699 138 D D S > S+ 0 0 86 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.825 113.9 51.0 -70.7 -33.8 45.4 18.7 116.0 700 139 D N T 3 S+ 0 0 134 1,-0.2 -1,-0.2 -32,-0.0 -3,-0.0 0.858 95.2 69.6 -69.7 -38.2 48.0 19.9 113.4 701 140 D Q T 3 S+ 0 0 64 1,-0.1 -32,-3.4 -33,-0.1 2,-1.3 0.489 72.9 111.4 -58.2 -1.4 48.6 23.2 115.2 702 141 D R B < +Q 668 0K 99 -3,-0.8 -34,-0.2 -34,-0.2 -1,-0.1 -0.653 39.2 170.2 -78.4 95.7 50.2 21.0 117.9 703 142 D A - 0 0 63 -36,-1.6 2,-0.2 -2,-1.3 -1,-0.2 0.798 62.8 -26.0 -79.4 -30.1 53.8 22.1 117.5 704 143 D N S S- 0 0 88 -37,-1.5 -1,-0.1 -3,-0.2 -35,-0.0 -0.824 73.2 -75.6-159.1-156.0 54.9 20.2 120.7 705 144 D A - 0 0 88 1,-0.3 -38,-0.2 -2,-0.2 11,-0.2 -0.056 56.3-136.2-112.0 28.5 54.0 18.8 124.1 706 145 D G + 0 0 24 -43,-0.4 -1,-0.3 1,-0.1 -41,-0.3 0.048 48.0 142.4 50.2-160.0 53.8 21.9 126.4 707 146 D G - 0 0 17 -42,-1.7 7,-0.9 8,-0.1 -42,-0.2 0.354 59.7-111.3 112.9 -3.9 55.4 22.0 129.9 708 147 D G - 0 0 18 -44,-2.8 2,-0.4 5,-0.2 -47,-0.0 -0.397 51.8 -55.3 74.6-156.5 56.8 25.5 130.1 709 148 D V S > S- 0 0 92 -2,-0.1 2,-2.4 0, 0.0 3,-0.8 -0.975 85.7 -45.4-133.3 126.0 60.6 26.2 130.2 710 149 D E T 3 S+ 0 0 176 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.346 135.5 28.8 62.8 -66.7 63.4 24.9 132.5 711 150 D D T 3 S+ 0 0 59 -2,-2.4 -1,-0.2 2,-0.0 -3,-0.1 0.822 99.4 90.5 -97.1 -34.8 61.6 25.3 135.9 712 151 D E < - 0 0 63 -3,-0.8 2,-0.1 1,-0.1 -2,-0.0 -0.316 50.5-171.5 -59.8 137.9 57.9 24.9 135.0 713 152 D D + 0 0 49 -86,-0.1 2,-0.4 -4,-0.1 -86,-0.2 -0.579 20.3 171.4-132.4 71.2 56.5 21.3 135.1 714 153 D I - 0 0 8 -7,-0.9 2,-0.4 -2,-0.1 -88,-0.2 -0.676 24.8-146.4 -93.0 129.3 53.1 21.8 133.5 715 154 D E E -K 625 0I 72 -90,-2.4 -90,-1.7 -2,-0.4 2,-0.5 -0.772 16.6-136.3 -88.5 137.3 50.8 18.9 132.5 716 155 D V E -K 624 0I 43 -2,-0.4 2,-0.5 -92,-0.2 -92,-0.2 -0.848 18.1-158.6 -99.3 128.8 48.6 19.4 129.5 717 156 D L E -K 623 0I 31 -94,-3.2 -94,-2.9 -2,-0.5 2,-0.5 -0.929 14.3-175.9-112.4 121.8 45.0 18.4 129.7 718 157 D E E +K 622 0I 76 -2,-0.5 -96,-0.2 -96,-0.2 -2,-0.0 -0.982 25.9 157.1-109.4 120.6 42.7 17.6 126.8 719 158 D L E -K 621 0I 14 -98,-2.0 -98,-2.6 -2,-0.5 5,-0.1 -0.996 47.7 -91.9-144.6 144.5 39.2 16.8 128.1 720 159 D P E >> -K 620 0I 56 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.267 35.1-128.3 -49.9 138.8 35.5 16.9 126.9 721 160 D F H >> S+ 0 0 13 -102,-3.3 4,-1.5 1,-0.2 3,-0.6 0.905 108.3 62.5 -57.1 -44.7 33.8 20.2 127.6 722 161 D S H 3> S+ 0 0 70 -103,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.824 103.6 49.0 -45.9 -40.3 30.9 18.4 129.3 723 162 D Q H <> S+ 0 0 80 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.750 100.6 62.8 -78.8 -30.9 33.4 17.0 131.9 724 163 D A H < S+ 0 0 11 -4,-1.6 3,-1.5 4,-0.2 -1,-0.2 0.956 110.5 49.4 -65.6 -46.0 33.5 22.8 138.2 729 168 D K H 3< S+ 0 0 188 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.781 112.9 45.0 -67.0 -28.6 30.4 21.5 140.0 730 169 D T T 3< S- 0 0 105 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.344 113.8-113.8 -93.5 4.7 32.4 18.9 142.1 731 170 D G S < S+ 0 0 24 -3,-1.5 -3,-0.1 2,-0.3 -4,-0.1 0.109 84.6 122.7 85.4 -22.0 35.1 21.4 143.0 732 171 D E S S+ 0 0 110 -6,-0.2 2,-0.5 1,-0.1 -90,-0.3 0.781 79.7 45.6 -40.6 -38.2 37.8 19.5 141.0 733 172 D I + 0 0 1 -6,-2.3 -2,-0.3 -9,-0.2 -1,-0.1 -0.974 68.7 155.8-108.1 123.9 38.2 22.9 139.1 734 173 D R + 0 0 79 -2,-0.5 -238,-2.9 -92,-0.3 2,-0.4 -0.161 27.3 117.3-147.6 38.8 38.3 25.8 141.6 735 174 D D B > -f 496 0H 0 -240,-0.3 4,-2.5 -93,-0.2 5,-0.3 -0.962 56.9-138.5-116.8 129.4 40.2 28.6 139.9 736 175 D G H > S+ 0 0 0 -240,-3.0 4,-2.5 -2,-0.4 5,-0.2 0.890 99.9 43.2 -55.0 -52.1 38.5 32.0 139.1 737 176 D K H > S+ 0 0 15 -241,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.838 116.0 49.3 -67.6 -32.3 39.8 32.7 135.6 738 177 D T H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 5,-0.3 0.940 113.2 44.5 -73.4 -50.7 39.3 29.1 134.4 739 178 D V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.914 111.6 54.2 -59.2 -45.6 35.7 28.9 135.7 740 179 D L H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.926 114.2 43.6 -53.2 -41.0 35.0 32.3 134.2 741 180 D L H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.893 112.5 47.1 -78.5 -41.5 36.3 31.0 130.9 742 181 D L H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 3,-0.5 0.935 115.3 49.6 -66.3 -40.8 34.6 27.6 130.8 743 182 D N H X S+ 0 0 8 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.877 103.4 56.8 -64.3 -39.9 31.4 29.3 131.8 744 183 D Y H X S+ 0 0 11 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.822 107.0 51.8 -61.0 -30.7 31.6 32.0 129.2 745 184 D L H X>S+ 0 0 3 -4,-1.1 4,-1.3 -3,-0.5 5,-0.5 0.878 105.7 51.9 -75.4 -38.5 31.8 29.3 126.6 746 185 D Q H ><5S+ 0 0 62 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.942 109.3 53.7 -56.6 -46.5 28.7 27.6 128.0 747 186 D T H 3<5S+ 0 0 15 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.767 107.1 50.1 -53.2 -36.6 27.2 31.1 127.6 748 187 D S H 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.654 93.9-148.5 -78.9 -22.2 28.3 31.1 123.9 749 188 D H T X<5 + 0 0 30 -4,-1.3 3,-3.1 -3,-0.8 -3,-0.1 0.426 55.6 131.6 71.3 -1.8 26.7 27.7 123.3 750 189 D L T 3 < + 0 0 16 -5,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.631 68.4 56.7 -64.5 -11.3 29.4 26.9 120.7 751 190 D M T 3 0 0 8 -6,-0.4 -1,-0.3 -5,-0.1 -29,-0.1 0.302 360.0 360.0-101.9 8.0 30.0 23.6 122.3 752 191 D D < 0 0 98 -3,-3.1 -657,-0.1 -6,-0.1 -133,-0.1 -0.382 360.0 360.0 -69.1 360.0 26.4 22.6 121.9