==== 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 TRANSFERASE 22-OCT-09 3KD6 . COMPND 2 MOLECULE: CARBOHYDRATE KINASE, PFKB FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEAR . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 45 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 2 0 6 6 0 0 0 1 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 1 A L 0 0 83 0, 0.0 41,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 31.3 42.1 6.1 7.4 2 2 A S - 0 0 22 115,-0.2 118,-2.6 38,-0.1 2,-0.4 -0.326 360.0-156.0 -63.6 142.0 39.8 7.4 4.7 3 3 A L E -a 120 0A 2 40,-0.4 42,-2.8 116,-0.2 2,-0.5 -0.984 8.3-165.8-128.2 127.8 36.3 5.8 4.6 4 4 A L E -ab 121 45A 0 116,-3.0 118,-2.6 -2,-0.4 2,-0.5 -0.934 9.5-158.0-112.4 131.3 34.0 5.6 1.6 5 5 A V E +ab 122 46A 0 40,-3.9 42,-2.1 -2,-0.5 2,-0.3 -0.934 11.3 178.8-116.5 132.4 30.4 4.6 2.1 6 6 A I E +ab 123 47A 7 116,-2.3 118,-1.8 -2,-0.5 2,-0.3 -0.905 31.2 92.3-123.9 150.9 28.0 3.2 -0.6 7 7 A G S S- 0 0 2 40,-0.6 2,-0.2 -2,-0.3 119,-0.2 -0.952 71.2 -37.7 155.2-170.8 24.4 2.2 -0.1 8 8 A S - 0 0 10 117,-1.0 21,-1.8 -2,-0.3 22,-1.0 -0.515 35.2-163.0 -85.8 151.3 20.9 3.4 -0.4 9 9 A L + 0 0 0 40,-0.3 72,-0.6 -2,-0.2 18,-0.3 -0.997 39.5 132.3-127.2 125.5 19.7 6.9 0.6 10 10 A A E -Ij 26 81B 1 16,-2.0 16,-3.1 -2,-0.4 2,-0.4 -0.906 55.8 -98.7-160.4-173.5 16.0 6.9 1.0 11 11 A F E -Ij 25 82B 11 70,-1.9 72,-1.9 -2,-0.3 2,-0.4 -0.991 36.6-159.4-123.1 129.0 12.7 7.7 2.7 12 12 A D E -Ij 24 83B 6 12,-2.9 12,-2.7 -2,-0.4 2,-0.8 -0.893 19.2-150.4-116.5 143.4 11.0 4.9 4.8 13 13 A D E - j 0 84B 53 70,-2.4 72,-2.0 -2,-0.4 2,-0.4 -0.940 32.5-168.2-106.4 105.0 7.5 4.4 5.9 14 14 A I E -Ij 21 85B 0 7,-3.3 7,-2.3 -2,-0.8 2,-0.4 -0.842 10.4-176.4-103.3 134.1 8.1 2.5 9.1 15 15 A E E +Ij 20 86B 57 70,-1.9 72,-3.1 -2,-0.4 5,-0.2 -0.993 7.9 168.0-133.8 133.7 5.4 0.7 11.1 16 16 A T - 0 0 9 3,-2.8 3,-0.2 -2,-0.4 72,-0.1 -0.801 53.3 -97.2-129.2 171.5 5.6 -1.2 14.4 17 17 A P S S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 72,-0.1 0.687 124.3 43.6 -65.2 -15.5 2.7 -2.5 16.6 18 18 A F S S- 0 0 147 1,-0.2 2,-0.3 212,-0.1 -3,-0.0 0.705 124.1 -30.0-104.0 -24.0 3.1 0.7 18.7 19 19 A G - 0 0 29 -3,-0.2 -3,-2.8 2,-0.0 2,-0.3 -0.959 51.6-122.5-172.0-172.3 3.6 3.5 16.2 20 20 A R E -I 15 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.955 3.8-161.6-148.6 166.4 4.7 4.7 12.8 21 21 A S E -I 14 0B 31 -7,-2.3 -7,-3.3 -2,-0.3 3,-0.4 -0.872 17.2-166.3-153.1 112.7 7.0 7.1 11.0 22 22 A D E + 0 0 71 -2,-0.3 -9,-0.2 -9,-0.3 3,-0.1 -0.696 69.9 17.9-103.8 157.0 6.4 8.0 7.3 23 23 A N E S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.873 86.5 171.0 53.6 38.9 8.7 9.8 4.9 24 24 A T E -I 12 0B 4 -12,-2.7 -12,-2.9 -3,-0.4 -1,-0.2 -0.649 40.6-109.8 -83.9 133.1 11.5 9.0 7.4 25 25 A L E +I 11 0B 1 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.395 64.8 128.0 -59.3 134.3 15.1 9.7 6.3 26 26 A G E +I 10 0B 0 -16,-3.1 -16,-2.0 251,-0.1 4,-0.2 -0.730 15.2 139.5-159.2-150.6 16.8 6.3 5.8 27 27 A G > - 0 0 7 -18,-0.3 4,-1.7 -2,-0.2 3,-0.4 0.107 62.4 -93.8 102.5 142.3 18.8 4.2 3.5 28 28 A S H > S+ 0 0 4 97,-0.3 4,-2.3 1,-0.2 5,-0.2 0.834 123.5 50.6 -59.9 -35.8 21.7 1.9 4.3 29 29 A S H > S+ 0 0 0 -21,-1.8 4,-2.9 96,-0.2 5,-0.3 0.844 105.8 57.1 -72.9 -30.2 24.4 4.4 3.6 30 30 A T H > S+ 0 0 0 -22,-1.0 4,-2.4 -3,-0.4 5,-0.2 0.955 112.3 40.4 -62.4 -49.7 22.7 7.0 5.8 31 31 A Y H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.914 116.7 49.8 -65.9 -43.7 22.8 4.7 8.8 32 32 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.937 114.2 44.4 -61.2 -47.6 26.3 3.5 8.0 33 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.911 111.0 51.9 -66.1 -44.2 27.7 7.0 7.6 34 34 A L H < S+ 0 0 2 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.895 116.0 41.9 -60.7 -39.7 26.0 8.6 10.7 35 35 A S H >< S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.928 113.9 50.3 -72.4 -46.8 27.4 5.8 12.9 36 36 A A H >X S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.3 4,-1.2 0.821 95.9 73.0 -61.4 -31.1 30.9 5.7 11.3 37 37 A S T 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.723 85.5 66.0 -57.9 -21.9 31.1 9.5 11.7 38 38 A Y T <4 S+ 0 0 29 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.561 108.7 39.4 -76.6 -5.7 31.6 9.0 15.4 39 39 A F T <4 S+ 0 0 9 -3,-2.7 2,-0.2 -4,-0.1 -2,-0.2 0.676 98.2 79.8-115.4 -26.5 34.9 7.3 14.6 40 40 A T < - 0 0 24 -4,-1.2 4,-0.1 1,-0.1 209,-0.1 -0.567 51.4-161.3 -89.7 151.5 36.6 9.2 11.8 41 41 A D S S+ 0 0 75 -2,-0.2 -1,-0.1 -40,-0.1 3,-0.0 0.703 82.0 56.1 -96.3 -27.1 38.5 12.4 12.2 42 42 A E S S- 0 0 116 -41,-0.1 -39,-0.1 1,-0.1 -2,-0.1 -0.671 106.8 -75.1-103.3 159.8 38.2 13.2 8.5 43 43 A P - 0 0 48 0, 0.0 -40,-0.4 0, 0.0 2,-0.2 -0.251 44.6-121.7 -57.3 132.7 35.0 13.5 6.5 44 44 A I E - c 0 67A 1 22,-0.7 24,-3.2 21,-0.2 2,-0.4 -0.551 29.6-130.2 -72.5 137.9 33.2 10.3 5.6 45 45 A R E -bc 4 68A 46 -42,-2.8 -40,-3.9 -2,-0.2 2,-0.4 -0.793 22.5-164.4 -97.8 133.5 32.9 10.0 1.8 46 46 A X E -b 5 0A 0 22,-1.8 25,-0.6 -2,-0.4 2,-0.5 -0.957 12.8-175.9-124.7 131.7 29.5 9.1 0.2 47 47 A V E +bc 6 71A 2 -42,-2.1 -40,-0.6 -2,-0.4 2,-0.3 -0.988 40.9 96.2-120.5 124.4 28.7 7.9 -3.2 48 48 A G E - c 0 72A 0 23,-1.7 25,-2.5 -2,-0.5 2,-0.3 -0.932 57.5-104.6-175.8-161.9 25.0 7.5 -4.1 49 49 A V E + c 0 73A 0 -2,-0.3 -40,-0.3 23,-0.2 32,-0.3 -0.991 23.6 179.1-153.5 143.4 22.0 9.2 -5.7 50 50 A V E - c 0 74A 0 23,-2.8 25,-2.6 -2,-0.3 28,-0.1 -0.856 26.0-112.6-135.4 170.8 18.8 11.0 -4.5 51 51 A G E > - c 0 75A 1 -2,-0.3 3,-1.3 23,-0.2 28,-0.2 -0.325 39.8 -94.4 -96.5-177.0 15.9 12.7 -6.2 52 52 A S T 3 S+ 0 0 75 26,-1.4 27,-0.1 23,-0.7 24,-0.1 0.632 120.8 69.5 -72.7 -12.3 14.9 16.4 -6.2 53 53 A D T 3 + 0 0 62 25,-0.5 2,-1.4 2,-0.1 -1,-0.3 0.568 68.8 104.7 -81.4 -9.5 12.6 15.5 -3.3 54 54 A F S < S- 0 0 11 -3,-1.3 5,-0.1 2,-0.1 -1,-0.1 -0.587 72.9-141.2 -74.8 93.7 15.6 14.9 -1.0 55 55 A G >> - 0 0 18 -2,-1.4 4,-1.0 1,-0.1 3,-0.8 -0.033 15.1-117.7 -56.1 158.7 15.3 18.1 1.0 56 56 A K H 3> S+ 0 0 155 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.688 110.7 71.8 -70.8 -19.0 18.3 20.2 2.2 57 57 A E H 3> S+ 0 0 120 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.879 99.1 48.6 -63.2 -34.0 17.4 19.5 5.8 58 58 A H H <> S+ 0 0 23 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.863 110.6 49.4 -72.8 -37.0 18.5 16.0 5.1 59 59 A F H X S+ 0 0 35 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.884 108.9 53.6 -68.5 -37.7 21.8 17.2 3.6 60 60 A D H X S+ 0 0 88 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.816 103.4 57.4 -65.9 -30.1 22.3 19.5 6.6 61 61 A L H X S+ 0 0 36 -4,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.938 110.5 42.5 -65.2 -46.1 21.9 16.5 8.9 62 62 A L H ><>S+ 0 0 1 -4,-1.5 5,-1.8 1,-0.2 3,-1.4 0.920 113.3 51.6 -66.2 -45.2 24.8 14.7 7.2 63 63 A H H ><5S+ 0 0 88 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.794 100.7 63.5 -64.2 -26.6 27.0 17.8 7.0 64 64 A A H 3<5S+ 0 0 78 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.734 103.5 48.4 -69.3 -21.5 26.4 18.3 10.7 65 65 A K T <<5S- 0 0 49 -3,-1.4 -1,-0.3 -4,-0.5 -21,-0.2 0.158 124.2-108.9-101.1 15.3 28.2 15.0 11.3 66 66 A N T < 5 + 0 0 92 -3,-1.6 -22,-0.7 1,-0.2 2,-0.4 0.849 62.2 162.4 60.7 40.3 30.9 16.2 8.9 67 67 A I E < -c 44 0A 5 -5,-1.8 2,-0.7 -24,-0.2 -1,-0.2 -0.773 38.3-130.4 -94.6 132.6 30.0 13.8 6.1 68 68 A D E +c 45 0A 29 -24,-3.2 -22,-1.8 -2,-0.4 3,-0.4 -0.723 27.3 175.7 -84.8 110.9 31.3 14.5 2.6 69 69 A T E > + 0 0 21 -2,-0.7 3,-2.2 1,-0.2 -1,-0.1 0.206 45.4 111.0-101.7 15.8 28.4 14.4 0.2 70 70 A R E 3 S+ 0 0 141 1,-0.3 -1,-0.2 -23,-0.1 -23,-0.1 0.787 76.1 59.6 -59.9 -24.9 30.2 15.4 -3.0 71 71 A G E 3 S+c 47 0A 5 -25,-0.6 -23,-1.7 -3,-0.4 2,-0.6 0.370 83.7 100.0 -85.3 6.5 29.7 11.9 -4.3 72 72 A I E < -c 48 0A 16 -3,-2.2 2,-0.3 -25,-0.3 -23,-0.2 -0.842 62.5-150.6 -99.1 120.8 25.9 12.1 -4.1 73 73 A Q E -c 49 0A 70 -25,-2.5 -23,-2.8 -2,-0.6 2,-0.5 -0.624 0.8-150.4 -87.3 145.1 24.1 12.8 -7.4 74 74 A V E -c 50 0A 83 -2,-0.3 2,-0.7 -25,-0.2 -23,-0.2 -0.974 9.1-150.2-117.8 116.6 20.8 14.6 -7.4 75 75 A I E > -c 51 0A 65 -25,-2.6 3,-2.0 -2,-0.5 -23,-0.7 -0.791 19.5-126.6 -91.2 113.4 18.5 13.6 -10.3 76 76 A E T 3 S+ 0 0 162 -2,-0.7 3,-0.1 1,-0.3 -25,-0.0 -0.364 93.2 0.0 -59.9 132.6 16.3 16.5 -11.3 77 77 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.441 106.8 123.7 65.3 1.5 12.7 15.4 -11.3 78 78 A G < - 0 0 15 -3,-2.0 -26,-1.4 -28,-0.1 -25,-0.5 -0.414 60.7-119.7 -83.6 166.9 13.8 12.0 -10.2 79 79 A K - 0 0 138 -28,-0.2 24,-1.9 -27,-0.1 3,-0.1 -0.904 21.1-111.7-114.9 141.6 12.4 10.4 -7.0 80 80 A T - 0 0 0 -2,-0.4 -70,-0.1 22,-0.2 -30,-0.1 -0.368 46.8 -87.8 -67.8 142.5 14.3 9.3 -3.9 81 81 A F E -j 10 0B 20 -72,-0.6 -70,-1.9 -32,-0.3 2,-0.4 -0.168 51.2-157.0 -47.2 137.4 14.5 5.6 -3.2 82 82 A R E +jK 11 100B 59 18,-2.0 18,-2.5 -72,-0.2 2,-0.3 -0.960 16.0 176.9-127.5 146.5 11.5 4.5 -1.1 83 83 A W E -jK 12 99B 19 -72,-1.9 -70,-2.4 -2,-0.4 2,-0.4 -0.998 12.4-161.5-148.3 143.0 10.9 1.6 1.3 84 84 A A E +jK 13 98B 12 14,-2.2 13,-2.5 -2,-0.3 14,-1.3 -0.994 17.2 176.9-127.1 129.1 8.0 0.5 3.6 85 85 A G E -jK 14 96B 1 -72,-2.0 -70,-1.9 -2,-0.4 2,-0.4 -0.973 15.9-155.0-135.8 150.7 8.6 -2.0 6.4 86 86 A R E -jK 15 95B 93 9,-2.4 9,-2.4 -2,-0.3 -70,-0.2 -0.980 8.8-167.3-130.0 124.7 6.5 -3.5 9.2 87 87 A Y E - K 0 94B 3 -72,-3.1 2,-0.2 -2,-0.4 7,-0.2 -0.549 8.4-154.4-101.0 170.2 7.7 -4.9 12.5 88 88 A H > - 0 0 64 5,-0.7 3,-2.0 -2,-0.2 -1,-0.1 -0.566 42.5 -65.5-130.9-165.2 5.8 -7.1 15.0 89 89 A Y T 3 S+ 0 0 180 1,-0.3 -2,-0.0 -2,-0.2 -73,-0.0 0.662 124.9 61.5 -64.4 -17.0 5.7 -7.9 18.7 90 90 A D T 3 S- 0 0 79 3,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.593 96.2-145.4 -82.0 -11.2 9.1 -9.6 18.6 91 91 A X S < S+ 0 0 23 -3,-2.0 -2,-0.1 1,-0.1 3,-0.1 0.883 78.4 68.9 45.1 53.3 10.5 -6.2 17.6 92 92 A N S S+ 0 0 53 1,-0.5 -1,-0.1 114,-0.1 114,-0.1 0.267 80.4 62.7-154.3 -62.3 13.2 -7.7 15.3 93 93 A T - 0 0 64 82,-0.0 -5,-0.7 1,-0.0 -1,-0.5 -0.273 63.8-176.3 -73.5 163.7 11.8 -9.4 12.2 94 94 A R E -K 87 0B 87 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.997 25.8-124.1-159.6 160.8 9.9 -7.4 9.6 95 95 A D E -K 86 0B 68 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.8 -0.891 22.7-134.1-108.9 138.3 8.0 -7.5 6.3 96 96 A T E +K 85 0B 54 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.851 24.8 179.6 -90.4 114.1 9.0 -5.4 3.4 97 97 A L E + 0 0 80 -13,-2.5 2,-0.3 -2,-0.8 -12,-0.2 0.795 64.9 2.1 -85.1 -32.5 5.7 -3.9 2.2 98 98 A D E -K 84 0B 67 -14,-1.3 -14,-2.2 2,-0.0 2,-0.3 -0.991 52.6-172.0-157.5 146.9 7.2 -1.9 -0.7 99 99 A T E +K 83 0B 31 -2,-0.3 2,-0.6 -16,-0.2 -16,-0.2 -0.915 5.2 178.8-144.7 113.6 10.5 -1.2 -2.4 100 100 A Q E -K 82 0B 87 -18,-2.5 -18,-2.0 -2,-0.3 4,-0.1 -0.909 9.2-170.0-118.8 100.9 10.8 1.4 -5.1 101 101 A L > + 0 0 47 -2,-0.6 3,-2.4 -20,-0.2 -1,-0.1 0.860 29.2 158.3 -56.0 -37.8 14.4 1.6 -6.4 102 102 A N G >> S+ 0 0 47 1,-0.3 3,-2.9 2,-0.2 4,-0.6 -0.208 70.3 11.7 48.6-127.2 13.5 4.8 -8.3 103 103 A V G 34 S+ 0 0 16 -24,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.713 127.4 61.1 -50.6 -24.8 16.7 6.8 -9.0 104 104 A F G X4 S+ 0 0 12 -3,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.612 90.1 69.9 -79.8 -11.3 18.8 3.8 -8.0 105 105 A A T <4 S+ 0 0 73 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.4 28.0 -71.9 -37.3 17.3 1.7 -10.7 106 106 A E T 3< S+ 0 0 182 -4,-0.6 -1,-0.2 -3,-0.3 2,-0.2 0.014 93.8 150.0-110.2 24.3 19.1 3.7 -13.4 107 107 A F < - 0 0 19 -3,-0.5 -3,-0.1 1,-0.1 -58,-0.0 -0.383 36.7-159.7 -71.1 133.6 22.1 4.7 -11.2 108 108 A D - 0 0 115 -2,-0.2 2,-2.6 -60,-0.1 -1,-0.1 -0.772 15.7-151.7-108.9 82.2 25.5 5.3 -12.7 109 109 A P + 0 0 1 0, 0.0 2,-0.5 0, 0.0 -60,-0.0 -0.239 23.1 175.7 -57.7 70.6 27.7 4.9 -9.5 110 110 A H - 0 0 109 -2,-2.6 -62,-0.1 -62,-0.1 24,-0.1 -0.690 20.0-151.2 -82.5 124.4 30.6 7.1 -10.6 111 111 A V - 0 0 0 -2,-0.5 5,-0.1 -64,-0.1 4,-0.1 -0.853 24.0-121.7 -94.3 119.2 33.2 7.5 -7.8 112 112 A P >> - 0 0 13 0, 0.0 3,-2.8 0, 0.0 4,-0.7 -0.313 22.8-111.0 -61.7 146.1 34.8 10.9 -8.2 113 113 A Q G >4 S+ 0 0 144 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.806 117.1 61.5 -43.1 -41.2 38.6 10.8 -8.7 114 114 A Y G 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.381 105.2 48.5 -73.8 7.6 39.1 12.3 -5.2 115 115 A Y G X4 S+ 0 0 0 -3,-2.8 3,-1.7 -4,-0.1 -1,-0.2 0.464 85.5 88.1-117.4 -13.4 37.4 9.3 -3.7 116 116 A R T << S+ 0 0 72 -3,-1.0 23,-1.9 -4,-0.7 24,-0.6 0.665 81.3 60.0 -64.2 -16.9 39.4 6.6 -5.5 117 117 A D T 3 S+ 0 0 85 -4,-0.3 -1,-0.3 21,-0.2 -115,-0.2 0.251 73.9 141.3 -95.4 14.0 42.2 6.5 -3.0 118 118 A S < - 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