==== 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 17-FEB-03 1NZD . COMPND 2 MOLECULE: DNA BETA-GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LARIVIERE,S.MORERA . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 16.0 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 . 1 0.3 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 0.3 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 1 0 2 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 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 1 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 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 0 119 0, 0.0 35,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 87.5 26.9 9.1 5.4 2 2 A K E -a 36 0A 40 56,-0.1 58,-3.3 33,-0.1 59,-1.2 -0.858 360.0-160.8-101.8 126.3 24.3 11.4 6.9 3 3 A I E -ab 37 61A 0 33,-3.1 35,-2.0 -2,-0.5 2,-0.4 -0.837 4.5-162.1-108.8 142.0 21.2 9.8 8.5 4 4 A A E -ab 38 62A 0 57,-2.6 59,-3.4 -2,-0.4 2,-0.4 -0.977 5.7-172.7-122.0 133.7 17.8 11.5 9.2 5 5 A I E +ab 39 63A 0 33,-2.5 35,-2.0 -2,-0.4 2,-0.3 -0.987 10.8 168.1-126.5 136.0 15.3 10.0 11.7 6 6 A I E - b 0 64A 0 57,-2.3 59,-2.8 -2,-0.4 2,-0.5 -0.949 36.3-120.9-141.4 161.4 11.8 11.4 12.2 7 7 A N E - b 0 65A 5 33,-0.5 3,-0.2 -2,-0.3 59,-0.1 -0.919 24.9-142.3-102.1 131.2 8.5 10.5 13.8 8 8 A M S S+ 0 0 0 57,-2.0 76,-0.3 -2,-0.5 75,-0.2 0.610 87.8 6.8 -71.7 -12.4 5.8 10.4 11.1 9 9 A G S S+ 0 0 5 56,-0.2 71,-0.4 57,-0.2 2,-0.4 0.318 110.2 73.2-157.1 20.7 3.0 11.8 13.3 10 10 A N S S- 0 0 58 69,-0.3 -3,-0.2 -3,-0.2 -1,-0.2 -1.000 74.3-114.2-142.0 138.4 4.2 13.0 16.7 11 11 A N - 0 0 66 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.449 30.6-142.3 -69.3 142.0 6.1 16.1 17.8 12 12 A V + 0 0 1 1,-0.1 31,-0.3 -2,-0.1 3,-0.1 -0.950 50.2 119.4-113.3 121.3 9.5 15.1 19.3 13 13 A I S S- 0 0 98 -2,-0.5 34,-0.3 1,-0.5 2,-0.2 0.459 70.9 -19.9-140.3 -60.1 10.8 17.1 22.2 14 14 A N S S- 0 0 58 32,-0.1 3,-0.5 33,-0.0 -1,-0.5 -0.598 75.4 -74.6-140.4-159.0 11.4 15.1 25.4 15 15 A F S S+ 0 0 29 1,-0.2 225,-2.3 -2,-0.2 226,-0.2 0.179 93.4 100.5 -96.6 19.1 10.5 11.9 27.3 16 16 A K S S+ 0 0 121 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.543 84.0 41.2 -81.8 -7.5 7.0 13.0 28.3 17 17 A T S > S- 0 0 59 -3,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.976 79.4-128.0-135.6 151.4 5.3 11.0 25.5 18 18 A V H > S+ 0 0 85 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.936 107.8 51.5 -64.8 -47.7 6.1 7.5 24.2 19 19 A P H > S+ 0 0 40 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.912 115.0 43.0 -56.9 -43.0 6.4 8.5 20.5 20 20 A S H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 114.9 50.3 -67.7 -46.7 8.8 11.3 21.3 21 21 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.930 110.2 49.1 -56.0 -51.2 10.8 9.1 23.8 22 22 A E H X S+ 0 0 21 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.898 111.0 50.4 -58.1 -42.0 11.2 6.2 21.3 23 23 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.920 112.7 46.4 -63.5 -43.9 12.4 8.6 18.6 24 24 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 112.0 49.9 -65.0 -46.2 15.0 10.1 20.9 25 25 A Y H X S+ 0 0 23 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.878 111.2 49.2 -61.0 -38.4 16.2 6.8 22.2 26 26 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.916 109.2 52.9 -67.2 -39.9 16.6 5.5 18.6 27 27 A F H X S+ 0 0 37 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.936 110.5 49.6 -56.9 -46.4 18.5 8.7 17.7 28 28 A K H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.912 110.8 45.2 -62.3 -48.5 20.8 8.0 20.7 29 29 A V H < S+ 0 0 6 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.860 112.5 52.4 -67.4 -33.1 21.6 4.3 19.9 30 30 A I H ><>S+ 0 0 1 -4,-2.2 5,-1.5 -5,-0.2 3,-0.8 0.938 112.3 45.8 -66.0 -43.9 22.2 5.2 16.2 31 31 A S H ><5S+ 0 0 43 -4,-2.3 3,-2.3 1,-0.3 4,-0.2 0.931 110.4 52.1 -62.5 -47.0 24.6 7.9 17.3 32 32 A E T 3<5S+ 0 0 63 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.608 98.2 69.3 -66.1 -9.4 26.3 5.7 19.8 33 33 A M T < 5S- 0 0 12 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.482 124.0-103.7 -85.1 -5.5 26.7 3.2 16.9 34 34 A G T < 5S+ 0 0 70 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.656 79.9 132.8 90.2 17.6 29.2 5.7 15.3 35 35 A L < - 0 0 29 -5,-1.5 2,-0.8 -4,-0.2 -1,-0.3 -0.782 60.1-121.4-105.4 148.1 26.7 7.0 12.8 36 36 A N E +a 2 0A 86 -35,-0.7 -33,-3.1 -2,-0.3 2,-0.3 -0.769 48.1 159.5 -87.8 111.4 26.0 10.6 11.9 37 37 A V E -a 3 0A 7 -2,-0.8 2,-0.3 -35,-0.2 -33,-0.2 -0.977 26.1-166.1-139.5 149.4 22.3 11.2 12.5 38 38 A D E -a 4 0A 21 -35,-2.0 -33,-2.5 -2,-0.3 2,-0.5 -0.959 20.1-134.4-128.3 148.0 19.8 14.1 13.1 39 39 A I E -ac 5 48A 2 8,-0.6 10,-2.2 -2,-0.3 2,-0.5 -0.890 21.6-156.4 -98.9 132.3 16.3 14.0 14.4 40 40 A I E + c 0 49A 1 -35,-2.0 -33,-0.5 -2,-0.5 10,-0.2 -0.955 28.1 146.1-112.7 124.7 14.0 16.3 12.3 41 41 A S E - c 0 50A 3 8,-3.1 10,-1.9 -2,-0.5 -30,-0.1 -0.648 62.5 -68.9-137.5-164.5 10.9 17.5 13.9 42 42 A L S S+ 0 0 35 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.863 110.5 10.2 -62.9 -38.9 8.6 20.6 14.0 43 43 A K S S- 0 0 154 -31,-0.3 -2,-0.2 6,-0.2 -31,-0.1 -0.930 85.4 -90.6-140.2 162.1 11.1 22.9 15.7 44 44 A N + 0 0 84 -2,-0.3 2,-0.3 -4,-0.1 5,-0.3 -0.418 60.2 143.2 -68.0 149.6 14.7 23.1 16.7 45 45 A G - 0 0 46 3,-2.4 -32,-0.1 1,-0.1 5,-0.0 -0.923 63.9 -59.4-167.0-171.4 15.3 21.8 20.2 46 46 A V S S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.921 135.2 15.4 -50.8 -50.3 17.7 19.8 22.4 47 47 A Y S S+ 0 0 68 -34,-0.3 -8,-0.6 -35,-0.1 2,-0.3 0.460 121.0 70.0-105.7 -3.1 17.5 16.7 20.3 48 48 A T E -c 39 0A 13 -10,-0.1 -3,-2.4 -35,-0.1 2,-0.3 -0.810 50.9-157.1-127.6 161.7 16.0 18.1 17.1 49 49 A K E -c 40 0A 78 -10,-2.2 -8,-3.1 -2,-0.3 2,-0.2 -0.834 40.8-108.5-117.6 156.8 16.4 20.3 14.0 50 50 A S E > -c 41 0A 6 -2,-0.3 3,-1.7 -10,-0.2 -8,-0.2 -0.635 13.1-125.1 -94.2 152.5 13.2 21.6 12.3 51 51 A F G > S+ 0 0 19 -10,-1.9 3,-1.4 1,-0.3 -1,-0.1 0.910 109.7 58.8 -55.3 -44.8 11.8 20.5 8.9 52 52 A D G 3 S+ 0 0 138 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.473 104.7 50.8 -67.6 -2.1 11.9 24.1 7.6 53 53 A E G < S+ 0 0 128 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.288 103.3 57.2-120.8 12.0 15.6 24.4 8.1 54 54 A V S < S- 0 0 37 -3,-1.4 2,-0.6 -4,-0.2 3,-0.1 -0.938 72.2-124.7-138.3 160.4 17.0 21.3 6.4 55 55 A D > - 0 0 82 -2,-0.3 3,-2.6 1,-0.1 4,-0.2 -0.937 17.1-145.7-108.4 116.4 17.0 19.7 3.0 56 56 A V G > S+ 0 0 5 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.767 97.5 60.3 -51.1 -29.1 15.8 16.1 3.2 57 57 A N G 3 S+ 0 0 48 1,-0.2 -1,-0.3 33,-0.1 33,-0.0 0.321 82.3 78.0 -87.1 11.7 18.1 15.2 0.3 58 58 A D G < S+ 0 0 114 -3,-2.6 2,-0.4 2,-0.0 -1,-0.2 0.402 87.1 82.8 -91.1 -0.4 21.2 16.2 2.3 59 59 A Y < - 0 0 16 -3,-1.1 -56,-0.2 -4,-0.2 3,-0.1 -0.835 66.3-157.3-107.7 143.4 20.6 12.9 4.0 60 60 A D S S+ 0 0 68 -58,-3.3 2,-0.3 -2,-0.4 -57,-0.2 0.654 83.9 27.8 -89.8 -21.2 21.7 9.4 2.7 61 61 A R E -b 3 0A 44 -59,-1.2 -57,-2.6 31,-0.1 2,-0.5 -0.995 65.3-156.2-143.8 135.7 19.1 7.5 4.7 62 62 A L E -bd 4 94A 0 31,-0.7 33,-2.6 -2,-0.3 2,-0.4 -0.960 11.9-170.1-117.1 115.6 15.7 8.5 6.0 63 63 A I E -bd 5 95A 0 -59,-3.4 -57,-2.3 -2,-0.5 2,-0.5 -0.889 3.7-165.4-106.2 133.0 14.4 6.5 9.0 64 64 A V E -bd 6 96A 0 31,-3.2 33,-3.3 -2,-0.4 2,-0.4 -0.968 13.9-142.6-126.6 123.2 10.7 6.9 10.0 65 65 A V E -bd 7 97A 1 -59,-2.8 -57,-2.0 -2,-0.5 -56,-0.2 -0.667 37.9-105.8 -80.6 130.3 9.2 5.9 13.3 66 66 A N + 0 0 6 31,-2.2 2,-0.3 -2,-0.4 -57,-0.2 -0.099 49.9 158.2 -57.0 152.3 5.7 4.6 12.8 67 67 A S - 0 0 0 36,-0.3 2,-0.2 -59,-0.1 -57,-0.1 -0.967 42.7 -90.6-163.5 167.6 2.7 6.7 13.8 68 68 A S - 0 0 46 -2,-0.3 35,-0.1 -59,-0.1 37,-0.0 -0.503 20.6-156.0 -82.2 155.6 -1.0 7.1 13.1 69 69 A I + 0 0 19 -2,-0.2 2,-0.2 38,-0.1 -1,-0.1 0.205 50.0 129.3-115.4 12.3 -2.0 9.6 10.4 70 70 A N - 0 0 123 1,-0.1 2,-0.9 41,-0.0 -2,-0.1 -0.467 58.7-130.2 -69.4 136.1 -5.5 10.2 11.8 71 71 A F > - 0 0 10 -2,-0.2 3,-2.4 3,-0.0 -1,-0.1 -0.792 20.2-131.8 -95.4 105.2 -6.4 13.9 12.2 72 72 A F G > S+ 0 0 189 -2,-0.9 3,-1.7 1,-0.3 -1,-0.0 -0.264 89.7 0.7 -53.9 129.3 -7.7 14.5 15.7 73 73 A G G 3 S- 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.613 119.6 -81.8 65.3 10.7 -10.9 16.6 15.6 74 74 A G G < S+ 0 0 19 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.568 100.1 127.5 71.5 6.7 -10.6 16.6 11.8 75 75 A K S < S- 0 0 128 -3,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.544 70.1 -83.0 -95.0 161.7 -8.2 19.4 12.1 76 76 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.353 35.4-159.5 -63.4 137.2 -4.7 19.8 10.6 77 77 A N >> - 0 0 53 1,-0.1 4,-2.6 -8,-0.1 3,-0.6 -0.958 3.1-162.3-121.0 107.6 -1.9 18.1 12.5 78 78 A L H 3> S+ 0 0 98 -2,-0.6 4,-2.8 1,-0.2 5,-0.4 0.774 86.9 64.1 -61.0 -29.3 1.5 19.6 11.6 79 79 A A H 3> S+ 0 0 8 -70,-0.2 4,-1.0 2,-0.2 -69,-0.3 0.916 113.1 34.4 -61.9 -42.3 3.4 16.7 13.0 80 80 A I H <> S+ 0 0 2 -3,-0.6 4,-2.5 -71,-0.4 5,-0.3 0.958 121.7 46.3 -74.8 -54.4 1.8 14.4 10.4 81 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -3,-0.2 0.894 114.4 46.0 -57.4 -46.6 1.6 16.8 7.6 82 82 A S H X S+ 0 0 21 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.871 113.2 50.1 -68.0 -36.2 5.2 18.1 7.9 83 83 A A H X S+ 0 0 0 -4,-1.0 4,-2.7 -5,-0.4 -2,-0.2 0.929 113.7 43.8 -67.9 -45.4 6.6 14.7 8.2 84 84 A Q H X S+ 0 0 0 -4,-2.5 4,-3.3 -76,-0.3 5,-0.2 0.858 111.5 54.1 -68.3 -33.5 4.9 13.3 5.2 85 85 A K H X S+ 0 0 88 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.901 111.6 46.6 -63.7 -39.5 5.7 16.5 3.2 86 86 A F H X S+ 0 0 15 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.912 114.4 46.7 -67.8 -44.1 9.3 15.7 4.2 87 87 A M H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 43,-0.2 0.899 108.4 54.0 -65.3 -43.6 9.0 12.1 3.2 88 88 A A H 3< S+ 0 0 24 -4,-3.3 41,-0.3 37,-0.3 -1,-0.2 0.785 107.5 53.5 -62.6 -26.8 7.3 12.8 -0.1 89 89 A K H 3< S+ 0 0 140 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.732 87.3 97.4 -80.0 -24.8 10.2 15.1 -0.9 90 90 A Y << - 0 0 5 -4,-0.9 40,-0.3 -3,-0.7 39,-0.2 -0.454 57.7-162.3 -68.3 134.8 12.8 12.4 -0.2 91 91 A K + 0 0 154 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.253 62.6 62.6-105.5 13.8 14.0 10.6 -3.4 92 92 A S S S- 0 0 59 1,-0.1 -31,-0.1 38,-0.1 38,-0.1 -0.642 99.0 -54.7-125.3-175.7 15.5 7.4 -2.0 93 93 A K - 0 0 33 -2,-0.2 -31,-0.7 37,-0.1 2,-0.4 -0.319 49.8-142.1 -65.0 141.3 14.3 4.4 -0.1 94 94 A I E -de 62 132A 0 37,-2.5 39,-3.0 -33,-0.1 2,-0.7 -0.886 2.6-145.6-107.5 135.5 12.5 5.1 3.2 95 95 A Y E -de 63 133A 8 -33,-2.6 -31,-3.2 -2,-0.4 2,-0.6 -0.884 14.0-161.8-104.5 108.7 13.0 2.8 6.2 96 96 A Y E -de 64 134A 0 37,-2.2 39,-2.6 -2,-0.7 2,-0.8 -0.803 10.5-143.6 -94.4 116.1 9.8 2.6 8.2 97 97 A L E -de 65 135A 0 -33,-3.3 -31,-2.2 -2,-0.6 2,-1.1 -0.701 11.3-160.1 -84.4 111.3 10.2 1.3 11.8 98 98 A F E + e 0 136A 0 37,-2.3 39,-2.2 -2,-0.8 40,-0.3 -0.739 34.9 143.9 -95.2 89.0 7.2 -0.9 12.7 99 99 A T + 0 0 17 -2,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.493 65.9 48.1-103.3 -9.2 7.1 -1.0 16.5 100 100 A A S > S- 0 0 11 -3,-0.2 3,-2.5 3,-0.2 -1,-0.2 -0.957 70.9-146.4-137.6 117.8 3.3 -1.0 16.8 101 101 A I T 3 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.3 159,-0.0 0.805 98.8 57.1 -50.8 -36.5 1.1 -3.3 14.8 102 102 A R T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -34,-0.0 -35,-0.0 0.526 97.3 68.5 -75.8 -4.4 -1.7 -0.8 14.6 103 103 A L < + 0 0 23 -3,-2.5 -36,-0.3 -35,-0.1 -1,-0.2 -0.338 61.9 159.5-113.4 53.3 0.5 1.8 13.0 104 104 A P - 0 0 31 0, 0.0 -37,-0.1 0, 0.0 44,-0.1 -0.365 56.2 -82.3 -70.1 154.8 1.4 0.5 9.5 105 105 A F + 0 0 4 -9,-0.1 2,-0.3 46,-0.1 45,-0.1 -0.261 59.7 172.6 -54.6 143.1 2.6 3.1 7.0 106 106 A S - 0 0 34 -3,-0.1 2,-0.4 44,-0.0 45,-0.1 -0.986 33.9-109.9-153.5 150.7 -0.3 4.9 5.4 107 107 A Q - 0 0 34 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.680 15.5-161.2 -84.6 134.0 -0.8 7.9 3.0 108 108 A S S >> S+ 0 0 0 -2,-0.4 4,-2.7 18,-0.3 3,-0.8 0.750 78.9 77.9 -83.9 -24.4 -2.3 11.0 4.5 109 109 A W H 3> S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 85.5 56.1 -52.3 -52.1 -3.3 12.5 1.2 110 110 A P H 34 S+ 0 0 73 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.858 116.0 41.5 -50.7 -33.8 -6.4 10.3 0.5 111 111 A N H X4 S+ 0 0 57 -3,-0.8 3,-1.5 -4,-0.3 -2,-0.2 0.962 113.8 49.6 -77.2 -54.9 -7.7 11.6 3.8 112 112 A V H >< S+ 0 0 0 -4,-2.7 3,-2.8 1,-0.3 -3,-0.2 0.864 96.9 69.7 -51.5 -46.5 -6.6 15.3 3.5 113 113 A K T 3< S+ 0 0 107 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.699 102.6 44.8 -49.9 -24.9 -8.1 15.8 -0.0 114 114 A N T < S+ 0 0 135 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.324 91.8 106.7-104.1 7.8 -11.6 15.6 1.3 115 115 A R S X S- 0 0 70 -3,-2.8 3,-2.0 -4,-0.2 4,-0.2 -0.501 81.0-118.6 -84.5 154.5 -11.0 17.8 4.3 116 116 A P T 3 S+ 0 0 119 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.737 118.4 51.2 -63.8 -18.7 -12.4 21.4 4.5 117 117 A W T > S+ 0 0 20 1,-0.2 3,-2.0 -5,-0.1 4,-0.3 0.113 71.2 116.0-103.7 20.1 -8.7 22.5 4.7 118 118 A A G X + 0 0 23 -3,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.748 60.7 77.0 -58.9 -23.8 -7.6 20.5 1.7 119 119 A Y G 3 S+ 0 0 189 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.722 84.1 65.8 -61.2 -19.2 -6.8 23.8 0.0 120 120 A L G < S+ 0 0 81 -3,-2.0 2,-0.4 1,-0.1 -1,-0.3 0.702 104.0 43.2 -76.7 -20.5 -3.7 23.9 2.2 121 121 A Y < - 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0 0 36 -2,-2.2 3,-1.9 -5,-0.1 4,-0.1 -0.851 64.9-148.1-155.0 109.9 12.2 -20.9 33.5 296 296 A A G > S+ 0 0 64 -2,-0.3 3,-2.0 1,-0.3 -1,-0.0 0.695 89.1 76.5 -54.2 -24.9 8.5 -21.6 34.0 297 297 A R G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -16,-0.0 26,-0.0 0.713 88.2 59.2 -63.5 -19.1 8.4 -19.6 37.2 298 298 A F G < S+ 0 0 0 -3,-1.9 -16,-3.6 -5,-0.1 2,-0.4 0.408 96.2 82.1 -89.5 4.3 8.4 -16.3 35.2 299 299 A Y E < -k 282 0B 0 -3,-2.0 2,-0.4 -18,-0.2 -16,-0.2 -0.912 54.4-171.2-117.8 138.0 5.2 -17.3 33.4 300 300 A V E -k 283 0B 1 -18,-2.7 -16,-2.7 -2,-0.4 -15,-0.2 -0.992 8.2-167.6-125.8 126.8 1.6 -17.0 34.4 301 301 A N - 0 0 87 -2,-0.4 2,-0.3 -18,-0.2 -16,-0.2 0.809 69.5 -15.9 -81.6 -34.2 -1.2 -18.6 32.4 302 302 A N S > S- 0 0 64 -18,-0.1 4,-2.4 -100,-0.0 5,-0.2 -0.882 83.8 -70.4-155.7-173.7 -4.1 -16.8 34.1 303 303 A R H > S+ 0 0 60 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.840 126.4 54.7 -57.3 -35.8 -5.3 -14.8 37.1 304 304 A A H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.950 108.6 45.8 -64.8 -51.2 -5.0 -17.9 39.3 305 305 A E H > S+ 0 0 48 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.929 111.8 53.1 -56.8 -47.9 -1.3 -18.5 38.4 306 306 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.927 108.9 48.6 -53.9 -50.6 -0.5 -14.8 38.9 307 307 A I H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 115.7 43.7 -56.6 -48.1 -2.1 -14.8 42.4 308 308 A D H X S+ 0 0 87 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.947 114.1 49.5 -64.6 -48.4 -0.2 -17.9 43.4 309 309 A R H X S+ 0 0 28 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.921 112.9 47.1 -57.1 -46.4 3.1 -16.8 41.9 310 310 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.916 112.3 49.8 -63.0 -43.1 2.9 -13.4 43.5 311 311 A N H X S+ 0 0 47 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.925 107.8 54.2 -61.1 -43.8 2.0 -15.0 46.9 312 312 A E H X S+ 0 0 85 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.867 111.0 46.7 -57.7 -36.1 5.0 -17.3 46.5 313 313 A L H < S+ 0 0 3 -4,-1.7 7,-0.3 2,-0.2 -1,-0.2 0.883 111.5 49.9 -73.4 -39.6 7.2 -14.3 46.0 314 314 A K H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.830 114.3 46.6 -67.3 -31.0 5.7 -12.5 49.0 315 315 A H H < S+ 0 0 148 -4,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.663 115.8 44.1 -86.6 -18.2 6.2 -15.5 51.1 316 316 A S X - 0 0 48 -4,-1.0 4,-2.1 -5,-0.2 -1,-0.2 -0.817 53.4-179.7-134.3 97.2 9.8 -16.2 50.0 317 317 A D H > S+ 0 0 82 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.822 90.1 57.0 -60.4 -31.8 12.2 -13.3 49.8 318 318 A V H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 104.5 50.0 -67.1 -41.7 14.9 -15.8 48.7 319 319 A L H > S+ 0 0 26 -3,-0.2 4,-2.5 -7,-0.2 -2,-0.2 0.920 112.5 49.1 -61.4 -43.1 12.7 -16.9 45.8 320 320 A R H X S+ 0 0 34 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.962 113.4 43.9 -60.6 -54.8 12.2 -13.3 44.8 321 321 A K H X S+ 0 0 114 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.832 113.4 53.7 -61.6 -31.8 15.9 -12.4 45.0 322 322 A E H X S+ 0 0 94 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.914 110.0 45.0 -69.8 -43.4 16.8 -15.6 43.2 323 323 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.858 112.8 52.1 -69.2 -33.7 14.4 -14.9 40.3 324 324 A L H X S+ 0 0 10 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.929 107.7 52.1 -65.7 -43.9 15.7 -11.3 40.1 325 325 A S H X S+ 0 0 80 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.898 112.5 46.4 -58.2 -42.0 19.3 -12.6 39.9 326 326 A I H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.928 111.8 47.3 -69.4 -47.2 18.3 -14.9 37.1 327 327 A Q H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 112.4 51.8 -64.3 -35.0 16.4 -12.4 35.0 328 328 A H H X S+ 0 0 31 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.885 110.0 48.9 -66.8 -37.4 19.2 -9.8 35.5 329 329 A D H X S+ 0 0 79 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.927 111.7 48.8 -66.6 -45.0 21.7 -12.4 34.3 330 330 A I H X S+ 0 0 35 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.888 108.6 54.6 -62.7 -37.9 19.6 -13.2 31.2 331 331 A L H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-1.1 0.957 107.2 49.1 -59.9 -50.6 19.3 -9.5 30.5 332 332 A N H 3X S+ 0 0 59 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.771 101.4 64.7 -62.0 -24.6 23.0 -9.1 30.5 333 333 A K H 3< S+ 0 0 119 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.857 107.3 41.7 -66.7 -32.9 23.4 -12.0 28.1 334 334 A T H X< S+ 0 0 29 -4,-1.1 3,-1.6 -3,-1.1 -2,-0.2 0.862 111.1 56.1 -79.0 -37.0 21.5 -10.1 25.5 335 335 A R H >< S+ 0 0 82 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.784 97.6 64.0 -64.0 -27.1 23.4 -6.9 26.4 336 336 A A T 3< S+ 0 0 80 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.619 95.2 60.6 -71.6 -13.3 26.6 -8.8 25.6 337 337 A K T <> + 0 0 114 -3,-1.6 4,-2.4 1,-0.2 3,-0.4 0.053 66.7 121.0-101.6 24.6 25.5 -9.1 22.0 338 338 A K H <> S+ 0 0 52 -3,-1.2 4,-3.1 1,-0.2 5,-0.2 0.890 71.3 53.5 -53.1 -46.6 25.4 -5.4 21.5 339 339 A A H > S+ 0 0 45 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.856 110.6 47.5 -59.7 -37.1 27.9 -5.5 18.6 340 340 A E H > S+ 0 0 111 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.903 112.4 49.2 -69.7 -42.8 25.8 -8.1 16.8 341 341 A W H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.921 112.4 48.1 -62.0 -45.8 22.6 -6.0 17.4 342 342 A Q H X S+ 0 0 40 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.897 111.8 49.1 -63.0 -42.2 24.4 -2.9 16.1 343 343 A D H X S+ 0 0 94 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.870 110.0 52.1 -65.8 -36.9 25.7 -4.7 13.0 344 344 A A H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.866 108.5 51.1 -68.0 -35.8 22.2 -6.1 12.3 345 345 A F H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.955 109.0 49.8 -65.4 -48.9 20.7 -2.6 12.5 346 346 A K H <>S+ 0 0 54 -4,-2.2 5,-3.2 1,-0.2 3,-0.4 0.899 110.9 50.2 -55.1 -42.7 23.2 -1.2 10.1 347 347 A K H ><5S+ 0 0 145 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.870 105.1 58.7 -63.8 -36.2 22.5 -4.1 7.7 348 348 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.4 42.6 -63.4 -32.3 18.8 -3.3 8.1 349 349 A I T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 -0.026 123.3-103.5-105.1 30.5 19.3 0.2 6.8 350 350 A D T < 5 0 0 67 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.816 360.0 360.0 53.5 41.5 21.6 -0.9 4.0 351 351 A L < 0 0 85 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.0 -0.527 360.0 360.0-119.9 360.0 24.8 0.2 5.7