==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 11-APR-08 2ZM5 . COMPND 2 MOLECULE: TRNA DELTA(2)-ISOPENTENYLPYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SAKAI,M.YAO,S.CHIMNARONK,I.TANAKA . 611 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 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 . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 4 1 3 4 0 3 0 0 2 0 1 3 0 0 0 0 0 2 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 2 4 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 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 . 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 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 9 A L 0 0 173 0, 0.0 186,-0.2 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 34.6 6.3 67.6 110.7 2 10 A P - 0 0 36 0, 0.0 186,-3.3 0, 0.0 2,-0.2 -0.231 360.0-105.5 -65.6 168.6 3.5 66.0 108.7 3 11 A K E +a 188 0A 85 184,-0.2 2,-0.3 186,-0.1 186,-0.2 -0.652 41.6 168.1 -98.6 154.4 4.3 62.7 107.1 4 12 A A E -a 189 0A 1 184,-1.8 186,-1.9 -2,-0.2 2,-0.4 -0.972 20.8-139.9-157.9 154.9 5.0 62.0 103.4 5 13 A I E -ab 190 95A 3 89,-2.8 91,-2.7 -2,-0.3 2,-0.5 -0.956 2.4-156.6-126.1 143.2 6.3 59.2 101.3 6 14 A F E -ab 191 96A 0 184,-2.3 186,-2.7 -2,-0.4 2,-0.6 -0.976 6.1-173.6-114.8 123.9 8.7 59.2 98.3 7 15 A L E +ab 192 97A 2 89,-3.1 91,-1.7 -2,-0.5 186,-0.2 -0.809 20.2 171.8-118.2 86.5 8.4 56.1 96.0 8 16 A X E +ab 193 98A 0 184,-2.6 186,-1.6 -2,-0.6 91,-0.2 -0.518 7.2 138.3 -93.0 163.5 11.3 56.7 93.6 9 17 A G - 0 0 0 89,-0.8 186,-0.2 184,-0.2 3,-0.1 -0.836 47.1 -90.5 167.8 155.8 12.5 54.2 91.1 10 18 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.150 62.4 -66.4 -75.7 176.9 13.8 53.9 87.4 11 19 A T T 3 S+ 0 0 30 1,-0.2 195,-0.1 256,-0.2 36,-0.0 -0.336 120.5 17.6 -62.6 145.5 11.6 53.2 84.4 12 20 A A T 3 S+ 0 0 15 -3,-0.1 -1,-0.2 1,-0.1 193,-0.1 0.771 86.6 123.0 63.8 29.1 10.0 49.8 84.2 13 21 A S S < S- 0 0 1 -3,-1.0 -2,-0.1 182,-0.1 -1,-0.1 0.272 82.7-110.9-103.6 11.5 10.5 49.2 88.0 14 22 A G > + 0 0 37 3,-0.1 4,-1.9 -5,-0.1 5,-0.2 0.673 68.7 144.3 70.3 18.0 6.8 48.7 88.8 15 23 A K H > + 0 0 27 -5,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.885 69.3 47.7 -52.1 -50.6 6.6 51.9 90.8 16 24 A T H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.943 108.6 52.7 -61.8 -50.1 3.0 52.7 89.7 17 25 A A H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 111.6 48.6 -53.4 -41.6 1.6 49.2 90.4 18 26 A L H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.884 107.1 55.0 -66.3 -41.7 3.1 49.4 93.9 19 27 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 110.2 43.9 -62.1 -42.7 1.7 52.9 94.7 20 28 A I H X S+ 0 0 33 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.871 110.5 54.7 -73.7 -32.9 -1.9 52.0 93.9 21 29 A E H X S+ 0 0 75 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.838 109.4 50.2 -65.9 -29.7 -1.6 48.7 95.9 22 30 A L H >X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 3,-1.3 0.889 97.9 64.8 -72.4 -41.0 -0.5 50.9 98.7 23 31 A R H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 94.5 66.7 -50.4 -29.2 -3.5 53.2 98.3 24 32 A K H 3< S+ 0 0 151 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.870 115.6 19.2 -63.9 -40.2 -5.4 50.1 99.3 25 33 A I H << S+ 0 0 110 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.570 118.9 64.3-109.1 -9.7 -4.1 49.9 102.9 26 34 A L S < S- 0 0 11 -4,-2.5 2,-2.3 279,-0.1 279,-0.0 -0.900 79.6-122.6-119.2 147.1 -2.9 53.4 103.5 27 35 A P + 0 0 39 0, 0.0 66,-3.2 0, 0.0 2,-0.3 -0.359 65.2 142.4 -78.3 59.3 -4.7 56.8 103.6 28 36 A V E -c 93 0A 0 -2,-2.3 2,-0.4 64,-0.2 -2,-0.1 -0.686 44.4-151.5-107.5 157.4 -2.5 58.2 100.9 29 37 A E E -c 94 0A 24 64,-2.2 66,-3.2 -2,-0.3 2,-0.4 -0.987 26.1-125.4-122.6 133.0 -3.0 60.5 97.9 30 38 A L E -cd 95 59A 0 28,-0.8 30,-1.9 -2,-0.4 2,-0.5 -0.656 22.2-174.1 -88.3 133.2 -0.7 60.1 94.9 31 39 A I E -cd 96 60A 0 64,-2.0 66,-2.6 -2,-0.4 2,-0.4 -0.995 23.6-132.5-123.1 122.6 1.3 62.9 93.4 32 40 A S E -c 97 0A 4 28,-2.2 2,-0.6 -2,-0.5 66,-0.2 -0.614 15.2-167.2 -78.4 129.6 3.1 62.1 90.1 33 41 A V E +c 98 0A 0 64,-3.6 67,-1.3 -2,-0.4 66,-0.7 -0.808 43.9 119.4-116.2 84.1 6.8 63.2 90.0 34 42 A D > - 0 0 32 -2,-0.6 4,-0.6 27,-0.2 3,-0.3 -0.879 56.5-147.6-155.9 116.1 7.6 62.9 86.3 35 43 A S T 4 S+ 0 0 46 -2,-0.3 36,-0.1 1,-0.2 -1,-0.1 0.628 102.2 38.5 -59.5 -14.5 8.7 65.5 83.9 36 44 A A T >4 S+ 0 0 11 2,-0.1 3,-1.6 10,-0.1 -1,-0.2 0.701 100.0 68.1-109.1 -26.4 6.9 63.8 81.0 37 45 A L T 34 S+ 0 0 13 1,-0.3 26,-1.8 -3,-0.3 -2,-0.1 0.545 87.3 75.2 -70.3 -4.0 3.6 62.5 82.6 38 46 A I T 3< S+ 0 0 3 -4,-0.6 27,-1.9 24,-0.2 26,-1.6 0.706 77.9 96.3 -79.8 -17.6 2.7 66.2 82.9 39 47 A Y B X S-f 65 0B 3 -3,-1.6 3,-0.8 24,-0.2 2,-0.3 -0.569 71.1-135.4 -84.2 133.3 1.9 66.4 79.2 40 48 A K T 3 S+ 0 0 101 25,-2.7 3,-0.1 -2,-0.3 -2,-0.1 -0.633 93.3 24.0 -79.5 133.5 -1.5 66.0 77.7 41 49 A G T 3 S+ 0 0 41 -2,-0.3 2,-0.9 1,-0.1 3,-0.2 0.250 97.1 98.0 95.2 -16.7 -1.5 63.7 74.7 42 50 A X < + 0 0 0 -3,-0.8 -3,-0.1 1,-0.2 21,-0.1 -0.792 44.1 128.7-107.0 87.6 1.7 61.9 75.7 43 51 A D > + 0 0 69 -2,-0.9 5,-1.9 4,-0.1 -1,-0.2 0.813 63.1 37.3-110.8 -44.5 0.2 58.8 77.3 44 52 A I T > 5S+ 0 0 41 -3,-0.2 3,-0.9 1,-0.2 174,-0.1 0.879 114.3 49.1 -85.3 -34.5 1.7 55.6 75.9 45 53 A G T 3 5S+ 0 0 12 1,-0.2 -1,-0.2 173,-0.1 198,-0.1 0.723 111.8 52.8 -73.7 -17.9 5.3 56.4 75.4 46 54 A T T 3 5S- 0 0 16 -10,-0.1 -1,-0.2 196,-0.1 -2,-0.2 0.374 108.9-122.0 -96.4 2.7 5.4 57.9 78.9 47 55 A A T < 5 - 0 0 44 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.841 45.3-178.4 59.0 34.0 4.0 54.8 80.6 48 56 A K < - 0 0 23 -5,-1.9 -1,-0.2 1,-0.1 -5,-0.1 -0.332 34.7-101.0 -63.8 141.1 1.2 56.9 82.0 49 57 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.411 43.1-117.5 -63.1 141.1 -1.3 54.9 84.2 50 58 A N > - 0 0 85 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.167 29.7 -94.5 -73.8 173.8 -4.5 54.1 82.2 51 59 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.864 123.0 53.4 -58.3 -40.5 -7.9 55.4 83.1 52 60 A E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 111.9 44.3 -61.6 -46.8 -8.9 52.3 85.2 53 61 A E H > S+ 0 0 79 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.911 114.6 49.4 -63.6 -41.6 -5.7 52.6 87.3 54 62 A L H < S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 106.7 57.4 -67.3 -27.6 -6.3 56.3 87.7 55 63 A L H < S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.917 112.7 40.1 -67.4 -43.6 -9.9 55.6 88.6 56 64 A A H < S+ 0 0 54 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.966 134.3 19.0 -68.0 -55.0 -8.6 53.4 91.5 57 65 A A S < S- 0 0 0 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.864 80.7-146.7-124.2 97.6 -5.8 55.7 92.5 58 66 A P - 0 0 57 0, 0.0 -28,-0.8 0, 0.0 2,-0.4 -0.355 13.5-148.7 -62.5 139.1 -6.0 59.4 91.3 59 67 A H E -d 30 0A 24 -30,-0.1 3,-0.4 -28,-0.1 -28,-0.2 -0.901 4.8-139.0-110.1 139.1 -2.7 61.0 90.5 60 68 A R E S+d 31 0A 51 -30,-1.9 -28,-2.2 -2,-0.4 3,-0.1 -0.609 82.2 28.6 -91.0 158.9 -2.0 64.7 90.9 61 69 A L S S+ 0 0 10 1,-0.2 2,-0.4 -2,-0.2 3,-0.3 0.815 83.3 132.6 62.8 35.5 0.0 66.7 88.4 62 70 A L S S+ 0 0 21 -3,-0.4 -24,-0.2 1,-0.2 -1,-0.2 -0.920 73.0 4.4-112.9 142.5 -0.9 64.5 85.4 63 71 A D S S+ 0 0 65 -26,-1.8 -1,-0.2 -2,-0.4 -24,-0.2 0.922 84.8 132.4 52.4 50.5 -2.0 66.1 82.1 64 72 A I + 0 0 52 -26,-1.6 2,-0.3 -3,-0.3 -25,-0.2 0.292 60.3 50.9-112.0 6.9 -1.4 69.7 83.4 65 73 A R B S-f 39 0B 54 -27,-1.9 -25,-2.7 6,-0.0 -1,-0.1 -0.999 71.3-128.0-150.9 147.2 0.6 70.9 80.4 66 74 A D > - 0 0 46 -2,-0.3 3,-2.9 -27,-0.2 171,-0.1 -0.697 39.8-114.5 -85.4 136.8 0.5 71.1 76.6 67 75 A P T 3 S+ 0 0 0 0, 0.0 170,-0.5 0, 0.0 171,-0.3 0.607 112.9 67.4 -51.2 -8.2 3.6 69.6 75.1 68 76 A S T 3 S+ 0 0 45 1,-0.1 2,-0.6 169,-0.1 170,-0.0 0.648 89.9 70.2 -86.8 -16.7 4.4 73.2 73.8 69 77 A Q S < S- 0 0 89 -3,-2.9 -1,-0.1 166,-0.1 166,-0.0 -0.902 78.6-136.7-110.2 120.0 5.0 74.6 77.3 70 78 A A - 0 0 55 -2,-0.6 2,-0.2 1,-0.1 -4,-0.1 -0.287 14.1-154.2 -69.7 154.2 8.1 73.6 79.3 71 79 A Y - 0 0 19 -36,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.601 9.8-150.3-116.7 178.2 7.9 72.7 83.0 72 80 A S > - 0 0 42 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.981 32.5-109.1-151.5 162.7 10.7 73.0 85.6 73 81 A A H > S+ 0 0 16 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.857 122.0 52.9 -59.0 -32.5 12.0 71.5 88.8 74 82 A A H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 107.2 47.1 -71.5 -42.2 10.8 74.7 90.3 75 83 A D H > S+ 0 0 43 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.907 112.2 52.7 -66.9 -38.7 7.3 74.7 89.0 76 84 A F H X S+ 0 0 2 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.962 108.1 50.0 -58.5 -51.8 7.0 71.1 90.1 77 85 A R H X S+ 0 0 62 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.937 113.1 46.6 -53.6 -48.5 8.2 72.0 93.6 78 86 A R H X S+ 0 0 115 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.966 116.5 42.8 -58.6 -54.2 5.6 74.8 93.8 79 87 A D H X S+ 0 0 35 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.884 117.1 48.2 -61.6 -37.0 2.8 72.6 92.5 80 88 A A H X S+ 0 0 0 -4,-3.7 4,-3.0 -5,-0.3 5,-0.2 0.957 109.0 51.5 -68.6 -50.5 3.8 69.7 94.7 81 89 A L H X S+ 0 0 46 -4,-3.3 4,-2.1 -5,-0.3 -2,-0.2 0.919 114.0 45.8 -50.7 -48.0 4.2 71.7 97.9 82 90 A A H X S+ 0 0 61 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.903 112.1 50.1 -63.2 -45.0 0.6 73.1 97.3 83 91 A E H X S+ 0 0 50 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.877 109.9 51.5 -62.4 -38.4 -0.8 69.7 96.5 84 92 A X H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.918 106.4 53.9 -66.1 -40.5 0.8 68.2 99.6 85 93 A A H X S+ 0 0 52 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.937 110.5 47.1 -56.8 -48.5 -0.8 71.0 101.7 86 94 A D H X S+ 0 0 90 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.921 113.6 48.0 -58.9 -48.4 -4.2 70.1 100.3 87 95 A I H ><>S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-1.6 0.963 113.6 43.9 -59.8 -56.1 -3.7 66.4 100.9 88 96 A T H ><5S+ 0 0 39 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.781 106.8 63.1 -63.7 -22.4 -2.5 66.6 104.5 89 97 A A H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.753 100.4 54.6 -71.2 -21.6 -5.3 69.2 105.1 90 98 A A T <<5S- 0 0 67 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.146 123.4-105.9 -96.5 17.6 -7.7 66.3 104.3 91 99 A G T < 5S+ 0 0 69 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.653 85.5 109.6 69.6 15.9 -6.1 64.0 106.9 92 100 A R < - 0 0 73 -5,-1.6 -64,-0.2 -66,-0.0 -1,-0.2 -0.571 66.8-106.4-114.7-179.6 -4.3 61.8 104.3 93 101 A I E - c 0 28A 6 -66,-3.2 -64,-2.2 -2,-0.2 2,-0.2 -0.929 21.7-125.7-119.3 126.1 -0.7 61.3 103.3 94 102 A P E - c 0 29A 0 0, 0.0 -89,-2.8 0, 0.0 2,-0.6 -0.439 20.9-169.3 -67.0 126.8 1.1 62.5 100.1 95 103 A L E -bc 5 30A 1 -66,-3.2 -64,-2.0 -2,-0.2 2,-0.6 -0.912 8.9-158.6-118.6 98.8 2.8 59.6 98.3 96 104 A L E -bc 6 31A 0 -91,-2.7 -89,-3.1 -2,-0.6 2,-0.4 -0.708 13.8-172.9 -81.7 117.9 5.0 61.2 95.6 97 105 A V E +bc 7 32A 7 -66,-2.6 -64,-3.6 -2,-0.6 2,-0.3 -0.930 24.8 85.0-116.5 138.2 5.7 58.6 92.9 98 106 A G E -bc 8 33A 5 -91,-1.7 -89,-0.8 -2,-0.4 -64,-0.2 -0.977 64.9-107.4 163.9-177.3 8.1 58.9 89.9 99 107 A G S S+ 0 0 10 -66,-0.7 2,-1.0 -2,-0.3 -65,-0.2 0.113 77.9 105.0-128.5 17.2 11.5 58.6 88.3 100 108 A T >> + 0 0 27 -67,-1.3 4,-1.4 1,-0.2 3,-1.0 -0.702 44.3 176.9-102.2 79.5 12.4 62.3 87.9 101 109 A X H 3> S+ 0 0 2 -2,-1.0 4,-3.0 1,-0.3 5,-0.2 0.808 71.9 63.0 -51.8 -42.3 14.9 62.5 90.8 102 110 A L H 3> S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.893 105.7 49.0 -54.6 -37.8 15.9 66.1 90.2 103 111 A Y H <> S+ 0 0 19 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.932 109.0 50.5 -67.0 -46.9 12.3 67.0 91.1 104 112 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.927 114.1 47.6 -54.3 -46.4 12.3 64.9 94.2 105 113 A K H X>S+ 0 0 74 -4,-3.0 4,-3.1 2,-0.2 5,-0.8 0.945 109.5 49.5 -61.1 -53.7 15.5 66.6 95.2 106 114 A A H X5S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.898 115.0 47.2 -55.2 -39.4 14.3 70.2 94.5 107 115 A L H <5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.908 117.3 42.0 -67.8 -42.1 11.2 69.4 96.6 108 116 A L H <5S+ 0 0 39 -4,-2.5 77,-2.4 -5,-0.2 -2,-0.2 0.955 132.1 19.5 -69.9 -54.1 13.2 67.8 99.4 109 117 A E H <5S- 0 0 96 -4,-3.1 73,-0.3 75,-0.2 -3,-0.2 0.626 103.0-133.7 -93.8 -18.3 16.1 70.3 99.7 110 118 A G << - 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0 0 89 -2,-0.2 3,-1.5 -164,-0.0 6,-0.4 -0.973 43.4 -96.4-153.0 165.8 10.0 71.1 67.8 233 241 A T T 3 S+ 0 0 42 -2,-0.3 -2,-0.0 1,-0.3 11,-0.0 0.401 111.3 67.5 -69.7 2.8 13.0 69.3 69.2 234 242 A D T 3 S+ 0 0 112 4,-0.0 -1,-0.3 5,-0.0 3,-0.0 0.293 83.7 96.0-101.2 9.8 14.2 72.0 71.6 235 243 A L S <> S- 0 0 21 -3,-1.5 4,-1.3 1,-0.1 3,-0.5 -0.795 80.6-131.1 -98.0 136.6 11.1 71.3 73.6 236 244 A P H >> S+ 0 0 61 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.906 106.5 57.9 -53.6 -40.5 11.3 69.0 76.6 237 245 A S H >4 S+ 0 0 0 -170,-0.5 3,-0.7 1,-0.2 6,-0.1 0.867 107.3 45.3 -57.8 -41.9 8.2 67.1 75.4 238 246 A I H 34 S+ 0 0 0 -3,-0.5 -1,-0.2 -6,-0.4 9,-0.2 0.694 107.8 58.7 -78.1 -17.9 9.8 66.2 72.1 239 247 A R H << S+ 0 0 128 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.483 78.8 120.3 -88.6 -3.2 13.1 65.2 73.7 240 248 A C S S+ 0 0 1 1,-0.1 4,-2.8 -3,-0.1 -1,-0.2 -0.404 120.9 68.5 91.8 -56.4 10.9 57.2 72.5 243 251 A Y H > S+ 0 0 1 -2,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.892 95.7 52.0 -60.8 -44.9 9.3 60.5 71.3 244 252 A R H X S+ 0 0 71 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.907 113.8 44.0 -61.3 -42.8 12.6 61.9 70.1 245 253 A Q H > S+ 0 0 30 -5,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.939 112.3 50.9 -67.2 -49.0 13.4 58.8 68.1 246 254 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.846 108.0 55.2 -58.6 -33.2 9.9 58.5 66.6 247 255 A W H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.935 106.7 49.5 -64.8 -45.3 10.2 62.2 65.7 248 256 A S H <>S+ 0 0 11 -4,-1.7 5,-2.3 1,-0.2 6,-1.0 0.835 111.9 50.5 -60.5 -33.0 13.4 61.4 63.8 249 257 A Y H ><5S+ 0 0 8 -4,-1.9 3,-1.2 4,-0.2 -2,-0.2 0.910 109.7 47.5 -72.7 -43.6 11.5 58.5 62.1 250 258 A L H 3<5S+ 0 0 12 -4,-2.6 274,-0.2 1,-0.3 -2,-0.2 0.835 106.8 59.0 -66.3 -32.2 8.6 60.6 61.1 251 259 A E T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.540 116.4-117.4 -72.9 -6.6 11.0 63.2 59.7 252 260 A G T < 5S+ 0 0 0 -3,-1.2 269,-0.2 2,-0.2 -3,-0.2 0.666 82.8 120.8 77.4 16.6 12.3 60.6 57.4 253 261 A E S - 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0 0 42 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.834 45.6-178.7 59.5 32.3 10.7 62.4 43.7 357 56 B K < - 0 0 22 -5,-1.8 -1,-0.2 1,-0.1 -5,-0.1 -0.335 35.2 -99.3 -64.0 142.8 10.8 65.1 41.1 358 57 B P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.402 43.7-117.5 -62.9 140.6 13.9 67.3 41.1 359 58 B N > - 0 0 67 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.180 29.8 -95.3 -72.7 172.0 13.2 70.6 43.0 360 59 B A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.871 123.8 52.9 -55.4 -43.0 13.4 74.1 41.3 361 60 B E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 111.9 43.8 -58.3 -52.8 17.0 74.6 42.4 362 61 B E H > S+ 0 0 65 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.913 114.5 50.2 -58.7 -47.4 18.2 71.3 41.0 363 62 B L H < S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 106.7 56.2 -62.8 -30.3 16.2 71.9 37.8 364 63 B L H < S+ 0 0 143 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.906 112.1 42.0 -69.1 -40.4 17.8 75.4 37.6 365 64 B A H < S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.969 134.1 17.4 -68.0 -55.7 21.3 73.8 37.6 366 65 B A S < S- 0 0 0 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.868 80.7-146.2-124.8 99.4 20.4 71.0 35.3 367 66 B P - 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0 0 61 -2,-0.6 2,-0.2 1,-0.1 -4,-0.1 -0.296 14.7-154.7 -69.1 151.9 -2.3 59.0 29.9 380 79 B Y - 0 0 21 -36,-0.1 2,-0.3 -6,-0.1 3,-0.1 -0.570 9.2-150.6-114.8 179.6 1.2 58.7 28.3 381 80 B S > - 0 0 39 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.985 32.4-111.4-152.8 162.4 2.8 55.8 26.6 382 81 B A H > S+ 0 0 14 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.861 122.1 52.6 -60.4 -32.4 6.1 54.1 25.9 383 82 B A H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 107.4 46.7 -70.7 -45.4 5.4 55.1 22.3 384 83 B D H > S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.912 112.9 52.3 -65.0 -39.4 4.7 58.8 23.0 385 84 B F H X S+ 0 0 1 -4,-2.5 4,-3.8 2,-0.2 5,-0.3 0.963 108.2 50.3 -57.9 -53.3 7.9 58.9 25.2 386 85 B R H X S+ 0 0 55 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.924 113.2 45.9 -49.8 -51.2 9.9 57.4 22.3 387 86 B R H X S+ 0 0 116 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.949 116.9 43.8 -58.4 -52.6 8.6 60.0 19.9 388 87 B D H X S+ 0 0 26 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.897 116.8 47.1 -61.4 -41.5 9.2 62.9 22.3 389 88 B A H X S+ 0 0 0 -4,-3.8 4,-3.0 -5,-0.3 5,-0.3 0.964 109.1 51.9 -67.0 -51.6 12.6 61.6 23.3 390 89 B L H X S+ 0 0 44 -4,-3.2 4,-2.1 -5,-0.3 -2,-0.2 0.914 113.8 45.7 -50.7 -46.2 13.8 60.9 19.8 391 90 B A H X S+ 0 0 61 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.911 112.1 50.5 -64.4 -43.5 12.8 64.5 18.9 392 91 B E H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.864 109.8 51.3 -63.3 -36.6 14.4 65.9 22.1 393 92 B X H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.904 106.3 54.0 -68.4 -39.7 17.6 64.1 21.3 394 93 B A H X S+ 0 0 51 -4,-2.1 4,-3.6 -5,-0.3 -2,-0.2 0.936 108.9 49.3 -58.2 -47.0 17.8 65.4 17.8 395 94 B D H < S+ 0 0 91 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.902 113.6 45.6 -59.5 -43.2 17.5 68.9 19.2 396 95 B I H <>S+ 0 0 2 -4,-1.9 5,-2.8 2,-0.2 3,-0.3 0.880 119.1 41.0 -69.2 -38.8 20.3 68.3 21.7 397 96 B T H ><5S+ 0 0 45 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.905 109.6 56.6 -75.3 -44.6 22.6 66.6 19.1 398 97 B A T 3<5S+ 0 0 91 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.585 109.7 50.5 -64.4 -8.3 21.8 69.0 16.3 399 98 B A T 3 5S- 0 0 69 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.021 129.3 -85.8-120.0 25.1 23.0 71.8 18.6 400 99 B G T < 5S+ 0 0 66 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.467 89.0 108.6 90.2 2.6 26.3 70.4 19.8 401 100 B R < - 0 0 69 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.793 59.4-127.9-126.9 166.4 25.3 68.2 22.7 402 101 B I E - i 0 337C 23 -66,-1.9 -64,-1.6 -2,-0.3 2,-0.2 -0.878 28.3-129.0-105.4 121.3 24.9 64.8 24.1 403 102 B P E - i 0 338C 0 0, 0.0 -89,-2.7 0, 0.0 2,-0.6 -0.451 13.4-161.5 -72.0 136.3 21.6 63.6 25.6 404 103 B L E -hi 314 339C 1 -66,-3.0 -64,-2.0 -91,-0.2 2,-0.6 -0.922 9.6-157.7-119.0 99.0 21.7 62.0 29.0 405 104 B L E -hi 315 340C 0 -91,-2.7 -89,-3.0 -2,-0.6 2,-0.4 -0.705 15.0-173.3 -80.9 119.3 18.4 60.1 29.5 406 105 B V E +hi 316 341C 7 -66,-2.7 -64,-3.3 -2,-0.6 2,-0.3 -0.940 24.7 84.5-118.8 139.2 17.8 59.5 33.3 407 106 B G E -hi 317 342C 5 -91,-1.9 -89,-0.9 -2,-0.4 -64,-0.2 -0.973 65.3-105.9 163.1-177.4 15.1 57.5 34.9 408 107 B G S S+ 0 0 6 -66,-0.6 2,-1.1 -2,-0.3 3,-0.2 0.118 78.4 103.7-127.5 16.0 13.7 54.3 36.3 409 108 B T >> + 0 0 23 -67,-1.3 4,-1.4 1,-0.2 3,-0.9 -0.720 44.6 176.5-102.3 83.1 11.0 53.5 33.6 410 109 B X H 3> S+ 0 0 3 -2,-1.1 4,-3.0 1,-0.2 5,-0.2 0.820 71.1 64.2 -55.8 -40.2 12.9 50.8 31.8 411 110 B L H 3> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 105.6 48.9 -55.5 -35.9 10.2 49.8 29.4 412 111 B Y H <> S+ 0 0 20 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.928 108.6 50.6 -68.4 -45.8 10.6 53.4 28.0 413 112 B F H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.922 114.4 47.2 -56.1 -44.2 14.4 53.1 27.7 414 113 B K H X>S+ 0 0 76 -4,-3.0 4,-3.1 2,-0.2 5,-0.8 0.951 108.8 51.0 -63.8 -51.3 13.8 49.8 25.9 415 114 B A H X5S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.903 114.6 47.0 -52.7 -41.1 11.1 51.2 23.5 416 115 B L H <5S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 117.2 41.1 -68.5 -42.3 13.6 54.0 22.7 417 116 B L H <5S+ 0 0 37 -4,-2.5 77,-2.5 -5,-0.2 -2,-0.2 0.947 131.9 21.2 -72.5 -50.6 16.6 51.7 22.2 418 117 B E H <5S- 0 0 118 -4,-3.1 73,-0.3 75,-0.2 -3,-0.2 0.651 103.1-135.5 -95.0 -18.1 15.0 48.8 20.3 419 118 B G << - 0 0 12 -4,-1.4 2,-0.4 -5,-0.8 -1,-0.2 -0.256 18.2 -87.9 89.2 178.0 11.9 50.6 19.0 420 119 B L - 0 0 75 72,-0.1 72,-0.3 70,-0.1 3,-0.0 -0.989 30.8-112.3-132.2 140.0 8.3 49.4 18.9 421 120 B S - 0 0 26 -2,-0.4 70,-0.1 70,-0.2 69,-0.1 -0.536 51.1-100.7 -65.2 127.7 6.5 47.4 16.2 422 121 B P + 0 0 83 0, 0.0 67,-0.1 0, 0.0 -1,-0.1 -0.345 58.6 161.5 -57.5 125.6 3.9 49.8 14.7 423 122 B L - 0 0 53 -2,-0.1 2,-0.1 64,-0.0 -3,-0.0 -0.935 45.3 -87.2-139.7 159.3 0.5 49.1 16.3 424 123 B P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 51,-0.1 -0.432 47.1-118.6 -70.6 146.9 -2.7 51.1 16.6 425 124 B S - 0 0 103 1,-0.2 2,-0.2 -2,-0.1 0, 0.0 -0.029 49.3 -63.6 -70.0-175.0 -2.9 53.3 19.6 426 125 B A - 0 0 55 1,-0.0 -1,-0.2 5,-0.0 5,-0.1 -0.479 41.8-160.4 -77.1 139.8 -5.5 52.9 22.3 427 126 B D - 0 0 52 -2,-0.2 3,-0.2 1,-0.2 5,-0.1 -0.911 1.2-165.6-124.2 107.4 -9.2 53.3 21.4 428 127 B P S >> S+ 0 0 95 0, 0.0 3,-2.0 0, 0.0 4,-0.7 0.899 84.9 49.3 -49.9 -62.5 -11.4 53.9 24.5 429 128 B E H 3> S+ 0 0 129 1,-0.3 4,-1.0 2,-0.3 3,-0.4 0.833 116.7 43.6 -55.2 -34.7 -14.9 53.3 23.2 430 129 B V H 3> S+ 0 0 13 1,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.371 110.0 60.7 -88.6 3.6 -13.7 50.0 21.7 431 130 B R H <4 S+ 0 0 108 -3,-2.0 -2,-0.3 2,-0.2 -1,-0.2 0.480 95.2 60.6-102.9 -9.9 -12.0 49.7 25.0 432 131 B A H >X S+ 0 0 42 -4,-0.7 3,-4.4 -3,-0.4 4,-1.1 0.942 103.2 50.2 -73.2 -77.6 -15.3 49.8 26.7 433 132 B R H 3X>S+ 0 0 125 -4,-1.0 4,-3.2 1,-0.3 5,-0.5 0.715 104.9 52.3 -18.9 -80.3 -16.6 46.6 25.0 434 133 B I H 3<5S+ 0 0 1 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.709 120.7 42.8 -38.7 -20.9 -13.6 44.4 25.7 435 134 B E H X>5S+ 0 0 86 -3,-4.4 3,-3.8 2,-0.1 4,-1.5 0.904 109.5 49.7 -90.6 -65.0 -14.4 45.6 29.1 436 135 B Q H 3X5S+ 0 0 149 -4,-1.1 4,-0.9 1,-0.3 -2,-0.2 0.822 113.1 50.3 -48.0 -33.1 -18.2 45.4 29.3 437 136 B Q H 3<5S+ 0 0 49 -4,-3.2 -1,-0.3 -5,-0.3 -3,-0.2 0.649 106.3 58.6 -78.1 -12.5 -17.9 41.8 28.0 438 137 B A H <>X + 0 0 1 -4,-0.6 4,-1.2 -3,-0.3 3,-0.8 0.658 58.2 25.5-107.8 -94.8 -14.7 38.3 30.8 443 142 B W T 34 S+ 0 0 72 -5,-0.3 4,-0.1 1,-0.2 -2,-0.1 0.288 108.8 84.3 -60.3 15.1 -11.1 37.3 31.1 444 143 B E T 34 S- 0 0 125 -6,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.956 112.3 -0.6 -85.5 -59.0 -12.4 33.8 31.1 445 144 B S T <> S+ 0 0 39 -3,-0.8 4,-3.9 2,-0.2 6,-0.2 0.239 110.6 90.3-115.3 10.4 -12.7 32.9 27.4 446 145 B L H X S+ 0 0 6 -4,-1.2 4,-0.5 2,-0.2 -3,-0.1 0.874 87.8 55.2 -69.1 -37.1 -11.5 36.2 26.1 447 146 B H H >4 S+ 0 0 24 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.984 116.3 35.2 -54.8 -59.0 -8.1 34.6 26.2 448 147 B R H >> S+ 0 0 118 -4,-0.3 4,-1.8 2,-0.3 3,-0.5 0.860 107.2 65.1 -63.6 -39.1 -9.5 31.8 24.0 449 148 B Q H 3< S+ 0 0 82 -4,-3.9 4,-0.3 1,-0.3 -1,-0.3 0.722 116.4 34.1 -56.7 -14.8 -11.7 34.2 22.1 450 149 B L T S+ 0 0 81 0, 0.0 4,-0.7 0, 0.0 -4,-0.1 0.493 74.1 67.5 -93.1 0.6 -2.8 31.6 19.6 456 155 B V H > S+ 0 0 81 2,-0.2 4,-0.9 3,-0.1 3,-0.2 0.893 110.4 40.3 -78.3 -38.2 0.9 32.5 19.7 457 156 B A H >> S+ 0 0 0 1,-0.2 4,-3.7 2,-0.2 3,-0.6 0.907 110.6 56.8 -70.9 -43.9 -0.1 35.5 21.8 458 157 B A H 3< S+ 0 0 8 -4,-1.4 -1,-0.2 -8,-0.4 -2,-0.2 0.730 105.3 53.5 -61.0 -23.0 -2.6 33.5 23.8 459 158 B A H 3< S+ 0 0 86 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.796 116.7 37.4 -81.8 -29.6 0.2 31.1 24.8 460 159 B R H << S+ 0 0 155 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.925 106.6 70.2 -85.0 -51.6 2.3 34.0 26.0 461 160 B I S < S- 0 0 15 -4,-3.7 -1,-0.0 -5,-0.1 0, 0.0 -0.508 83.2-134.6 -69.5 129.1 -0.4 36.1 27.6 462 161 B H > - 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