==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-09 3KZH . COMPND 2 MOLECULE: PROBABLE SUGAR KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR B.SYED IBRAHIM,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK . 630 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 10.6 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 52 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 4 2 0 2 2 0 4 0 3 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 7 4 2 2 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 . 0 0 0 4 1 3 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 0 0 2 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 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 4 A R 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.6 24.3 90.7 -6.9 2 5 A K + 0 0 115 3,-0.0 3,-0.1 2,-0.0 0, 0.0 0.223 360.0 135.5 -80.1 15.8 22.0 90.3 -9.9 3 6 A E - 0 0 134 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.211 66.1 -84.0 -65.4 149.0 24.8 88.3 -11.7 4 7 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 51,-0.3 -0.229 51.8-167.2 -57.4 144.0 23.9 85.0 -13.6 5 8 A Y - 0 0 39 128,-0.4 130,-1.9 -3,-0.1 131,-0.5 -0.907 20.6-127.6-132.2 165.4 23.7 81.8 -11.5 6 9 A L E -ab 56 136A 0 49,-2.3 51,-3.2 -2,-0.3 2,-0.4 -0.926 23.6-143.2-113.6 134.4 23.5 78.0 -11.9 7 10 A L E -ab 57 137A 0 129,-2.6 131,-2.8 -2,-0.4 2,-0.5 -0.823 12.6-170.9-103.3 132.3 20.8 76.1 -10.2 8 11 A V E -ab 58 138A 0 49,-2.8 51,-2.7 -2,-0.4 2,-0.5 -0.991 7.6-168.7-119.0 126.5 21.4 72.7 -8.6 9 12 A F E +a 59 0A 23 129,-2.4 131,-0.4 -2,-0.5 2,-0.3 -0.976 36.9 73.6-121.9 118.8 18.2 70.9 -7.5 10 13 A G - 0 0 13 49,-1.8 51,-0.3 -2,-0.5 -2,-0.1 -0.985 68.9 -29.0 168.1-174.2 18.4 67.8 -5.3 11 14 A A - 0 0 14 -2,-0.3 32,-0.9 49,-0.2 2,-0.4 -0.163 30.9-159.1 -71.6 151.9 19.1 65.9 -2.0 12 15 A S - 0 0 0 49,-0.4 2,-0.4 30,-0.1 28,-0.2 -0.996 16.0-174.4-129.1 121.3 21.3 66.8 0.9 13 16 A V E -K 39 0B 13 26,-2.0 26,-3.9 -2,-0.4 2,-0.6 -0.956 18.0-150.3-122.6 139.0 22.3 63.9 3.2 14 17 A V E -Kl 38 95B 0 80,-2.4 82,-2.0 -2,-0.4 2,-0.4 -0.949 18.1-153.8-105.9 117.0 24.3 64.0 6.5 15 18 A D E -Kl 37 96B 35 22,-3.3 22,-2.5 -2,-0.6 2,-0.5 -0.812 9.7-170.6 -94.0 128.9 26.2 60.8 7.0 16 19 A V E -Kl 36 97B 0 80,-2.8 82,-2.6 -2,-0.4 2,-0.4 -0.946 11.4-175.4-121.8 105.5 27.1 59.7 10.6 17 20 A F E -Kl 35 98B 52 18,-2.9 18,-2.9 -2,-0.5 2,-0.6 -0.897 14.6-161.3-109.9 130.9 29.5 56.8 10.7 18 21 A G E -Kl 34 99B 0 80,-2.8 82,-3.5 -2,-0.4 2,-0.6 -0.937 9.0-163.1-111.8 112.4 30.7 54.9 13.8 19 22 A F E -Kl 33 100B 78 14,-2.9 14,-2.4 -2,-0.6 2,-0.2 -0.871 20.8-125.1 -97.8 121.8 33.8 52.8 13.3 20 23 A S E -K 32 0B 9 80,-1.6 12,-0.3 -2,-0.6 4,-0.1 -0.444 21.2-173.5 -69.0 129.1 34.6 50.2 15.9 21 24 A K S S+ 0 0 159 10,-3.0 2,-0.3 -2,-0.2 11,-0.2 0.053 76.5 35.7-107.0 18.0 38.0 50.4 17.6 22 25 A A S S- 0 0 38 9,-0.3 80,-0.2 0, 0.0 2,-0.1 -0.931 112.7 -58.3-158.7 164.2 37.4 47.1 19.5 23 26 A S - 0 0 82 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.289 59.5-124.4 -56.1 121.0 35.7 43.8 18.6 24 27 A Y + 0 0 34 -4,-0.1 -1,-0.1 6,-0.1 5,-0.1 -0.461 33.6 171.8 -72.6 141.3 32.0 44.4 17.8 25 28 A R > - 0 0 145 3,-0.3 3,-0.8 -2,-0.2 5,-0.1 -0.970 32.7-114.8-145.5 137.9 29.2 42.7 19.7 26 29 A P T 3 S+ 0 0 73 0, 0.0 398,-0.2 0, 0.0 3,-0.1 -0.348 97.4 23.8 -74.1 164.5 25.5 43.4 19.4 27 30 A Y T 3 S+ 0 0 177 396,-2.5 2,-0.3 1,-0.2 397,-0.2 0.489 108.7 105.5 58.2 8.8 23.4 44.9 22.3 28 31 A N S < S- 0 0 46 -3,-0.8 397,-0.8 395,-0.3 2,-0.7 -0.909 78.9-117.0-124.6 142.0 26.8 46.2 23.6 29 32 A S E -o 425 0C 49 -2,-0.3 397,-0.2 395,-0.1 385,-0.1 -0.674 35.7-164.3 -77.0 108.6 28.5 49.6 23.7 30 33 A T E -o 426 0C 0 395,-2.7 397,-2.2 -2,-0.7 2,-0.2 -0.817 20.3-119.1 -98.3 133.3 31.6 49.3 21.5 31 34 A P E +o 427 0C 72 0, 0.0 -10,-3.0 0, 0.0 -9,-0.3 -0.534 55.8 129.1 -72.7 137.3 34.4 51.9 21.8 32 35 A G E -K 20 0B 8 395,-2.2 2,-0.5 -12,-0.3 398,-0.4 -0.890 53.5 -78.3-161.8-165.4 34.9 53.7 18.5 33 36 A H E -K 19 0B 66 -14,-2.4 -14,-2.9 -2,-0.3 2,-0.5 -0.979 30.4-148.4-122.0 126.2 35.3 56.8 16.2 34 37 A V E -K 18 0B 3 -2,-0.5 2,-0.4 -16,-0.2 -16,-0.2 -0.808 12.6-170.2 -96.2 128.6 32.5 58.9 15.0 35 38 A K E -K 17 0B 70 -18,-2.9 -18,-2.9 -2,-0.5 2,-0.5 -0.976 3.6-164.4-121.8 125.6 32.8 60.5 11.6 36 39 A I E +K 16 0B 15 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.957 18.7 164.5-111.8 125.9 30.3 63.2 10.3 37 40 A S E -K 15 0B 25 -22,-2.5 -22,-3.3 -2,-0.5 2,-0.4 -0.984 33.8-121.1-141.6 153.6 30.2 64.0 6.6 38 41 A F E +K 14 0B 18 -2,-0.3 -24,-0.2 -24,-0.2 2,-0.2 -0.808 40.8 159.4 -97.5 132.3 28.0 65.8 4.1 39 42 A G E +K 13 0B 6 -26,-3.9 -26,-2.0 -2,-0.4 4,-0.1 -0.596 20.0 118.6-133.8-162.5 26.7 63.8 1.1 40 43 A G > - 0 0 19 -28,-0.2 4,-2.0 -2,-0.2 3,-0.3 0.369 63.0-111.6 97.6 121.2 24.1 63.6 -1.6 41 44 A V H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.899 117.8 47.6 -46.0 -51.7 25.2 63.8 -5.3 42 45 A C H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 110.5 51.1 -63.3 -35.4 23.6 67.2 -5.8 43 46 A R H > S+ 0 0 1 -32,-0.9 4,-1.6 -3,-0.3 -1,-0.2 0.834 110.9 49.2 -71.5 -33.3 25.0 68.7 -2.6 44 47 A N H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.891 110.5 50.7 -71.1 -41.2 28.5 67.5 -3.6 45 48 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.961 110.9 48.4 -60.6 -51.8 28.0 69.1 -7.1 46 49 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.833 111.8 50.0 -57.0 -38.6 26.9 72.4 -5.6 47 50 A E H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.962 110.4 48.4 -66.4 -50.5 29.9 72.4 -3.2 48 51 A N H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.818 113.4 50.1 -57.6 -34.5 32.5 71.7 -6.0 49 52 A X H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 3,-0.5 0.912 111.4 45.1 -70.2 -49.3 30.9 74.5 -8.1 50 53 A A H ><5S+ 0 0 14 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.849 108.4 60.8 -65.6 -33.2 31.0 77.2 -5.3 51 54 A R H 3<5S+ 0 0 48 -4,-2.4 246,-0.8 1,-0.3 -1,-0.2 0.794 106.7 44.1 -65.0 -31.4 34.6 76.1 -4.5 52 55 A V T 3<5S- 0 0 1 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.285 128.1 -95.0 -98.1 8.3 35.7 77.0 -8.0 53 56 A G T < 5S+ 0 0 63 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.508 70.9 148.3 95.4 7.1 33.8 80.3 -8.0 54 57 A V < - 0 0 13 -5,-2.6 2,-0.9 -6,-0.1 -1,-0.3 -0.563 55.2-119.7 -76.6 136.3 30.5 79.6 -9.7 55 58 A N - 0 0 61 -51,-0.3 -49,-2.3 -2,-0.2 2,-0.4 -0.726 47.3-167.3 -76.2 104.3 27.6 81.6 -8.4 56 59 A T E -ac 6 80A 1 -2,-0.9 25,-2.0 23,-0.6 2,-0.6 -0.905 26.6-164.3-110.2 133.2 25.6 78.6 -7.3 57 60 A N E -ac 7 81A 17 -51,-3.2 -49,-2.8 -2,-0.4 2,-0.7 -0.967 13.2-167.5-113.0 114.7 22.0 78.3 -6.2 58 61 A F E -a 8 0A 0 23,-2.8 2,-0.7 -2,-0.6 27,-0.2 -0.898 2.6-169.9-109.2 108.1 21.4 75.1 -4.4 59 62 A X E +a 9 0A 1 -51,-2.7 -49,-1.8 -2,-0.7 2,-0.2 -0.838 26.4 147.3 -99.5 112.9 17.7 74.2 -3.9 60 63 A S - 0 0 5 -2,-0.7 26,-3.0 22,-0.3 2,-0.5 -0.469 49.9 -96.5-128.9-164.9 17.4 71.2 -1.5 61 64 A I E +s 86 0D 15 -51,-0.3 -49,-0.4 24,-0.2 26,-0.2 -0.967 42.5 174.1-125.6 108.4 15.2 69.7 1.1 62 65 A L E -s 87 0D 6 24,-3.5 26,-1.2 -2,-0.5 30,-0.1 -0.549 26.7-139.3-106.3 178.2 16.2 70.4 4.7 63 66 A G - 0 0 0 24,-0.2 27,-0.2 -2,-0.2 30,-0.1 0.333 30.2-119.1-127.0 11.2 14.5 69.5 8.0 64 67 A N S S+ 0 0 78 1,-0.2 28,-0.1 25,-0.1 25,-0.1 0.218 80.6 109.9 71.6 -11.9 14.7 72.4 10.6 65 68 A D S > S- 0 0 33 26,-0.2 4,-1.4 1,-0.0 3,-0.2 0.066 91.5 -79.2 -79.8-167.0 16.7 70.1 12.9 66 69 A E H > S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.787 129.9 52.4 -68.7 -31.3 20.4 70.2 14.0 67 70 A H H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.766 104.9 57.9 -75.7 -25.1 21.6 68.6 10.8 68 71 A G H > S+ 0 0 4 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 106.4 47.4 -70.0 -40.0 19.7 71.2 8.9 69 72 A K H X S+ 0 0 89 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.791 108.8 56.4 -70.5 -29.0 21.7 74.0 10.6 70 73 A S H X S+ 0 0 8 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.917 109.1 44.5 -67.8 -46.5 24.9 72.1 9.9 71 74 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.954 114.1 50.2 -63.1 -50.5 24.3 72.0 6.1 72 75 A V H X S+ 0 0 42 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.896 110.7 49.0 -57.3 -44.9 23.2 75.7 6.1 73 76 A E H X S+ 0 0 91 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.884 111.4 49.2 -64.1 -37.4 26.4 76.8 8.0 74 77 A H H X S+ 0 0 24 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.878 109.1 54.2 -69.5 -34.3 28.6 74.8 5.6 75 78 A S H X>S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 5,-1.0 0.820 108.4 47.8 -68.0 -33.4 26.8 76.4 2.7 76 79 A K H <5S+ 0 0 149 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.791 112.6 50.3 -77.2 -29.3 27.5 79.9 4.0 77 80 A K H <5S+ 0 0 149 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.923 122.0 30.8 -73.4 -46.6 31.2 79.0 4.6 78 81 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.899 110.3-115.3 -80.5 -46.2 31.7 77.6 1.1 79 82 A G T <5 + 0 0 23 -4,-2.3 2,-0.7 -5,-0.3 -23,-0.6 0.672 63.8 137.0 119.7 15.9 29.3 79.8 -0.8 80 83 A Y E < -c 56 0A 0 -5,-1.0 2,-0.6 -6,-0.1 -1,-0.3 -0.899 52.4-132.3 -97.7 110.5 26.5 77.6 -2.3 81 84 A H E +c 57 0A 87 -25,-2.0 -23,-2.8 -2,-0.7 3,-0.3 -0.565 31.5 172.8 -70.4 113.0 23.3 79.6 -1.7 82 85 A X > + 0 0 14 -2,-0.6 3,-2.0 -25,-0.2 -22,-0.3 0.196 39.7 119.4-105.4 15.3 20.6 77.5 -0.2 83 86 A D T 3 S+ 0 0 136 1,-0.3 -1,-0.2 -24,-0.1 -24,-0.1 0.806 74.2 50.9 -49.9 -40.1 18.1 80.3 0.5 84 87 A D T 3 S+ 0 0 38 -3,-0.3 -1,-0.3 -26,-0.1 -25,-0.1 0.246 86.7 122.7 -88.9 14.9 15.4 78.9 -1.8 85 88 A S < - 0 0 12 -3,-2.0 2,-0.5 -27,-0.2 -24,-0.2 -0.201 68.1-102.5 -75.6 163.7 15.4 75.4 -0.3 86 89 A X E -s 61 0D 16 -26,-3.0 -24,-3.5 2,-0.0 2,-0.5 -0.779 32.5-165.9 -90.1 123.5 12.5 73.5 1.3 87 90 A V E -s 62 0D 95 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.2 -0.957 7.9-150.7-111.7 122.8 12.5 73.5 5.1 88 91 A I > - 0 0 44 -26,-1.2 3,-1.1 -2,-0.5 2,-0.3 -0.873 15.1-132.8 -98.7 115.2 10.1 71.0 6.8 89 92 A E T 3 S- 0 0 165 -2,-0.7 -25,-0.1 1,-0.3 3,-0.1 -0.468 92.9 -0.4 -67.5 118.1 8.9 72.1 10.2 90 93 A G T 3 S+ 0 0 71 -2,-0.3 -1,-0.3 1,-0.3 -26,-0.1 0.244 112.2 117.4 84.8 -12.3 9.3 69.2 12.7 91 94 A G < - 0 0 18 -3,-1.1 2,-0.4 -29,-0.1 -1,-0.3 -0.027 64.3-108.6 -77.1-177.9 10.7 67.1 9.8 92 95 A S - 0 0 3 -30,-0.1 23,-0.4 -3,-0.1 -28,-0.1 -0.950 16.0-124.2-122.6 139.3 14.2 65.6 9.5 93 96 A T - 0 0 0 -2,-0.4 -31,-0.1 1,-0.1 21,-0.1 -0.608 55.3 -87.3 -73.4 131.7 17.1 66.5 7.3 94 97 A P + 0 0 0 0, 0.0 -80,-2.4 0, 0.0 2,-0.4 -0.220 62.1 175.4 -46.4 120.2 18.1 63.2 5.4 95 98 A T E -lM 14 112B 2 17,-0.7 17,-3.0 -82,-0.2 2,-0.5 -0.998 27.0-159.1-136.4 141.5 20.5 61.3 7.6 96 99 A Y E -lM 15 111B 55 -82,-2.0 -80,-2.8 -2,-0.4 2,-0.6 -0.958 11.9-170.3-123.4 107.7 22.2 58.0 7.3 97 100 A L E +lM 16 110B 0 13,-2.7 13,-2.9 -2,-0.5 2,-0.4 -0.900 14.8 172.0-100.3 115.7 23.4 56.6 10.7 98 101 A A E -lM 17 109B 0 -82,-2.6 -80,-2.8 -2,-0.6 2,-0.5 -0.986 24.8-153.8-132.8 139.6 25.7 53.5 10.4 99 102 A I E -lM 18 108B 0 9,-2.7 8,-2.1 -2,-0.4 9,-1.1 -0.933 17.3-164.7-110.7 122.5 27.8 51.5 12.7 100 103 A L E -lM 19 106B 14 -82,-3.5 -80,-1.6 -2,-0.5 6,-0.2 -0.781 12.7-128.3-105.0 151.6 30.7 49.6 11.2 101 104 A D > - 0 0 14 4,-2.2 3,-0.7 -2,-0.3 -81,-0.2 -0.160 41.2 -81.9 -87.1-174.6 32.8 46.7 12.8 102 105 A E T 3 S+ 0 0 90 1,-0.2 -79,-0.1 -80,-0.2 -1,-0.0 0.666 132.1 49.0 -61.3 -21.4 36.5 46.3 13.3 103 106 A N T 3 S- 0 0 130 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.662 121.2-107.3 -91.2 -23.2 36.8 45.1 9.6 104 107 A G S < S+ 0 0 44 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.456 72.5 136.8 108.1 5.2 34.8 48.0 8.3 105 108 A E - 0 0 121 1,-0.1 -4,-2.2 -5,-0.0 2,-0.4 -0.637 60.8-108.2 -87.8 142.5 31.6 46.1 7.5 106 109 A X E +M 100 0B 41 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.533 41.5 165.2 -72.3 120.3 28.1 47.5 8.3 107 110 A V E + 0 0 4 -8,-2.1 236,-0.9 1,-0.4 2,-0.3 0.412 69.0 13.7-111.7 -7.7 26.6 45.6 11.1 108 111 A S E +M 99 0B 0 -9,-1.1 -9,-2.7 234,-0.2 -1,-0.4 -0.940 64.8 168.1-168.4 146.2 23.8 48.1 11.9 109 112 A A E -M 98 0B 0 235,-0.4 237,-1.8 -2,-0.3 2,-0.4 -0.971 21.9-153.2-166.5 150.4 22.1 51.2 10.3 110 113 A I E -Mn 97 346B 0 -13,-2.9 -13,-2.7 -2,-0.3 2,-0.6 -0.998 14.5-159.0-127.3 123.5 19.2 53.7 10.4 111 114 A A E -Mn 96 347B 16 235,-2.2 237,-1.7 -2,-0.4 2,-0.4 -0.918 11.8-179.4-108.2 111.1 18.1 55.5 7.2 112 115 A D E +M 95 0B 8 -17,-3.0 -17,-0.7 -2,-0.6 3,-0.4 -0.436 33.7 137.6-105.5 56.8 16.1 58.7 7.8 113 116 A X > + 0 0 84 -2,-0.4 3,-0.7 -19,-0.2 4,-0.4 0.130 30.3 113.2 -89.0 18.8 15.6 59.3 4.0 114 117 A K G > + 0 0 163 1,-0.2 3,-1.2 234,-0.2 -1,-0.2 0.917 65.8 56.7 -57.4 -54.7 12.0 60.4 4.5 115 118 A S G > S+ 0 0 1 -23,-0.4 3,-1.3 -3,-0.4 -1,-0.2 0.613 87.1 77.8 -58.3 -19.7 12.2 64.0 3.5 116 119 A I G X S+ 0 0 35 -3,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.875 97.5 45.4 -60.4 -38.4 13.6 63.4 0.0 117 120 A G G < S+ 0 0 55 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.406 89.0 88.2 -87.9 4.3 10.2 62.4 -1.3 118 121 A A G < + 0 0 42 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.347 57.7 118.2 -84.4 6.4 8.4 65.4 0.3 119 122 A X < - 0 0 16 -3,-0.6 2,-0.3 -4,-0.1 -58,-0.0 -0.587 44.6-176.3 -76.2 129.6 9.0 67.7 -2.7 120 123 A N >> - 0 0 79 -2,-0.3 4,-1.5 1,-0.1 3,-0.6 -0.857 39.7-110.4-128.0 164.9 5.7 68.8 -4.3 121 124 A T H 3> S+ 0 0 56 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.772 111.9 63.2 -63.4 -30.5 4.5 70.8 -7.3 122 125 A D H 3> S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.867 105.2 46.1 -63.7 -37.7 3.2 73.7 -5.1 123 126 A F H <> S+ 0 0 36 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.895 111.1 51.6 -72.7 -40.8 6.8 74.4 -3.9 124 127 A I H >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.946 110.3 50.7 -59.0 -47.0 8.2 74.2 -7.5 125 128 A D H >< S+ 0 0 66 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.819 106.6 53.5 -59.4 -36.0 5.5 76.7 -8.5 126 129 A S H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.793 116.9 38.4 -71.4 -26.8 6.4 79.1 -5.7 127 130 A K T XX S+ 0 0 45 -4,-1.3 3,-1.7 -3,-0.6 4,-1.1 0.100 78.0 121.4-110.2 20.6 10.0 79.1 -6.8 128 131 A R H <> S+ 0 0 132 -3,-1.0 4,-2.8 1,-0.3 5,-0.2 0.802 70.2 60.7 -54.0 -32.2 9.3 79.0 -10.6 129 132 A E H 3> S+ 0 0 138 -3,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.743 99.2 55.9 -69.8 -25.4 11.3 82.3 -11.0 130 133 A I H <4 S+ 0 0 29 -3,-1.7 -1,-0.2 2,-0.2 4,-0.2 0.907 113.0 41.7 -73.6 -39.2 14.5 80.6 -9.7 131 134 A F H >< S+ 0 0 0 -4,-1.1 3,-1.4 -7,-0.2 -2,-0.2 0.954 114.3 50.8 -70.1 -50.7 14.2 77.9 -12.4 132 135 A E H 3< S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.784 114.1 42.8 -59.5 -34.9 13.2 80.3 -15.2 133 136 A N T 3< S+ 0 0 96 -4,-1.4 -128,-0.4 -5,-0.2 2,-0.4 0.347 89.3 108.9 -95.8 4.5 16.1 82.7 -14.6 134 137 A A < - 0 0 3 -3,-1.4 25,-0.3 -4,-0.2 -128,-0.2 -0.672 60.8-150.5 -81.8 132.5 18.7 80.0 -14.1 135 138 A E S S+ 0 0 94 -130,-1.9 24,-1.3 -2,-0.4 2,-0.3 0.924 83.7 7.1 -68.5 -45.9 21.2 79.7 -17.0 136 139 A Y E -bd 6 159A 36 -131,-0.5 -129,-2.6 22,-0.2 2,-0.4 -0.950 68.5-155.3-134.7 149.9 21.7 76.0 -16.3 137 140 A T E -bd 7 160A 0 22,-2.3 24,-2.8 -2,-0.3 2,-0.3 -0.954 9.1-149.7-133.9 117.4 19.9 73.6 -14.0 138 141 A V E +bd 8 161A 0 -131,-2.8 -129,-2.4 -2,-0.4 2,-0.3 -0.673 21.5 168.8 -89.0 134.6 21.4 70.4 -12.6 139 142 A L E - d 0 162A 5 22,-2.7 24,-1.6 -2,-0.3 2,-0.2 -0.944 19.2-151.0-138.9 155.5 19.3 67.4 -11.8 140 143 A D E - d 0 163A 17 -131,-0.4 3,-0.4 -2,-0.3 7,-0.0 -0.631 37.3 -97.7-114.8-177.6 20.0 63.7 -10.9 141 144 A S S S+ 0 0 4 22,-0.8 31,-0.1 -2,-0.2 21,-0.0 0.038 86.6 108.3 -96.0 29.6 17.8 60.7 -11.6 142 145 A D S S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.1 -132,-0.0 0.901 82.3 29.2 -70.0 -48.9 16.3 60.4 -8.1 143 146 A N > + 0 0 55 -3,-0.4 4,-2.0 1,-0.1 -1,-0.2 -0.862 60.6 179.2-122.4 95.5 12.7 61.5 -8.7 144 147 A P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.818 82.6 54.6 -61.8 -35.5 11.4 60.8 -12.3 145 148 A E H > S+ 0 0 150 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.886 112.7 41.6 -66.9 -43.7 7.9 62.3 -11.7 146 149 A I H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.841 111.2 56.9 -74.4 -31.9 9.3 65.6 -10.5 147 150 A X H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.966 107.1 49.3 -62.2 -48.3 11.9 65.6 -13.3 148 151 A E H X S+ 0 0 100 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.875 110.8 49.8 -57.7 -42.1 9.1 65.3 -15.8 149 152 A Y H X S+ 0 0 57 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.914 113.5 46.2 -64.2 -42.5 7.2 68.2 -14.2 150 153 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.900 115.3 45.9 -67.3 -40.8 10.4 70.3 -14.3 151 154 A L H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.959 113.8 47.7 -66.3 -51.0 11.2 69.4 -17.9 152 155 A K H < S+ 0 0 153 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.7 37.0 -56.7 -44.7 7.6 70.0 -19.1 153 156 A N H < S+ 0 0 58 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.682 131.9 20.4 -83.7 -25.1 7.4 73.4 -17.3 154 157 A F H >X S+ 0 0 4 -4,-2.0 4,-2.3 -3,-0.2 3,-1.5 0.459 79.4 109.1-130.0 2.4 11.0 74.7 -17.8 155 158 A K T 3< S+ 0 0 75 -4,-2.4 5,-0.2 1,-0.3 -3,-0.1 0.732 91.9 39.4 -53.4 -30.0 12.9 73.1 -20.7 156 159 A D T 34 S+ 0 0 133 -5,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.494 117.1 51.3 -97.9 -6.7 12.8 76.3 -22.9 157 160 A K T <4 S+ 0 0 85 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.707 120.5 18.5 -98.6 -32.1 13.4 78.6 -19.9 158 161 A T S < S- 0 0 3 -4,-2.3 2,-0.8 -25,-0.1 -1,-0.3 -0.975 77.2-114.6-140.7 154.8 16.5 76.9 -18.5 159 162 A N E -d 136 0A 61 -24,-1.3 -22,-2.3 -25,-0.3 2,-0.1 -0.793 33.8-144.8 -96.6 105.9 19.1 74.5 -19.7 160 163 A F E -d 137 0A 1 -2,-0.8 22,-1.9 19,-0.4 21,-1.7 -0.398 9.4-160.1 -75.7 139.5 19.0 71.2 -17.9 161 164 A I E -de 138 182A 0 -24,-2.8 -22,-2.7 20,-0.2 2,-0.4 -0.980 9.4-149.6-121.4 124.3 22.0 69.0 -17.0 162 165 A L E -de 139 183A 0 20,-2.5 22,-1.5 -2,-0.4 -22,-0.2 -0.816 18.0-178.2-102.4 132.1 21.7 65.3 -16.1 163 166 A D E -d 140 0A 9 -24,-1.6 -22,-0.8 -2,-0.4 3,-0.1 -0.953 17.0-159.2-118.9 99.4 23.9 63.2 -13.8 164 167 A P - 0 0 0 0, 0.0 2,-2.9 0, 0.0 5,-0.1 0.553 8.3-158.6 -60.2 -11.3 22.3 59.6 -14.1 165 168 A V + 0 0 51 4,-0.1 2,-0.3 3,-0.1 88,-0.1 -0.231 65.4 4.4 63.6 -53.8 23.8 58.4 -10.8 166 169 A S S > S- 0 0 37 -2,-2.9 4,-1.2 1,-0.1 -25,-0.0 -0.965 71.2-111.1-153.5 164.3 23.5 54.6 -11.8 167 170 A A H > S+ 0 0 25 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.829 118.5 51.8 -66.6 -34.9 22.6 52.4 -14.7 168 171 A E H >> S+ 0 0 125 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.931 111.1 46.0 -68.1 -48.0 19.5 51.2 -12.8 169 172 A K H 34 S+ 0 0 58 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.746 106.3 63.2 -67.5 -23.4 18.3 54.7 -12.1 170 173 A A H >< S+ 0 0 0 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.754 92.4 60.6 -73.1 -29.3 19.0 55.6 -15.8 171 174 A S H << S+ 0 0 57 -4,-0.9 3,-0.4 -3,-0.7 4,-0.2 0.755 99.6 58.3 -71.0 -23.7 16.4 53.2 -17.3 172 175 A W T 3< S+ 0 0 156 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.555 112.6 37.6 -82.1 -12.6 13.7 55.1 -15.4 173 176 A V S X> S+ 0 0 0 -3,-0.8 4,-1.0 -4,-0.2 3,-0.9 0.200 83.1 106.6-122.7 13.0 14.5 58.4 -17.1 174 177 A K T 34 S+ 0 0 90 -3,-0.4 4,-0.2 1,-0.3 3,-0.2 0.815 80.7 50.7 -61.9 -34.6 15.3 57.1 -20.6 175 178 A H T 34 S+ 0 0 118 -4,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.608 112.4 49.3 -79.3 -13.8 12.0 58.4 -22.0 176 179 A L T X4 S+ 0 0 8 -3,-0.9 3,-1.6 1,-0.1 -2,-0.2 0.590 81.6 90.6-101.8 -13.7 12.8 61.9 -20.5 177 180 A I G >< + 0 0 2 -4,-1.0 3,-1.9 1,-0.3 -1,-0.1 0.737 69.0 77.1 -58.0 -26.1 16.4 62.5 -21.6 178 181 A K G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.696 89.7 57.6 -58.0 -22.8 15.4 64.2 -24.9 179 182 A D G < S+ 0 0 39 -3,-1.6 -19,-0.4 37,-0.1 -1,-0.3 0.509 85.9 100.3 -89.6 -5.0 14.6 67.4 -23.0 180 183 A F < - 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