==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 10-JUL-02 1M5R . COMPND 2 MOLECULE: 5'-D(*GP*AP*TP*AP*CP*TP*3DRP*AP*GP*AP*TP*AP*G)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.LARIVIERE,S.MORERA . 702 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 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 . 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 . 61 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 6 2 0 4 2 0 0 2 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 8 6 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 109 0, 0.0 35,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.3 5.0 55.6 43.0 2 2 A K E -a 36 0A 41 33,-0.1 58,-2.4 56,-0.1 59,-1.2 -0.991 360.0-162.2-126.0 127.1 6.8 52.5 41.6 3 3 A I E -ab 37 61A 0 33,-3.0 35,-2.5 -2,-0.4 2,-0.4 -0.876 4.4-161.0-113.5 141.6 5.1 49.9 39.4 4 4 A A E -ab 38 62A 0 57,-2.5 59,-3.2 -2,-0.4 2,-0.4 -0.965 6.7-173.1-119.6 135.1 6.2 46.4 38.6 5 5 A I E +ab 39 63A 0 33,-2.5 35,-1.9 -2,-0.4 2,-0.3 -0.994 10.0 169.1-128.3 135.9 4.8 44.4 35.6 6 6 A I E - b 0 64A 0 57,-2.0 59,-3.2 -2,-0.4 2,-0.5 -0.933 35.5-121.9-139.1 161.6 5.6 40.8 35.0 7 7 A N E - b 0 65A 8 33,-0.4 3,-0.3 -2,-0.3 59,-0.2 -0.942 25.0-141.8-104.1 127.6 4.3 38.1 32.7 8 8 A M S S+ 0 0 0 57,-2.4 76,-0.3 -2,-0.5 75,-0.3 0.752 88.0 10.4 -64.7 -25.1 3.1 35.2 34.8 9 9 A G S S+ 0 0 9 56,-0.3 71,-0.4 57,-0.2 2,-0.4 0.306 110.5 72.0-142.1 18.2 4.3 32.3 32.6 10 10 A N S S- 0 0 62 69,-0.3 -3,-0.3 -3,-0.3 -1,-0.1 -0.998 73.8-114.3-139.4 139.4 6.7 33.5 29.9 11 11 A N - 0 0 62 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.355 29.5-143.4 -65.4 148.9 10.2 34.8 29.8 12 12 A V + 0 0 3 1,-0.1 31,-0.3 31,-0.1 3,-0.1 -0.976 48.7 122.0-120.2 120.1 10.5 38.4 28.7 13 13 A I S S- 0 0 100 -2,-0.5 34,-0.3 1,-0.5 2,-0.2 0.473 71.7 -31.4-137.9 -58.5 13.4 39.5 26.5 14 14 A N S S- 0 0 64 32,-0.1 3,-0.5 33,-0.1 -1,-0.5 -0.612 75.5 -67.2-147.1-154.0 12.4 41.0 23.2 15 15 A F S S+ 0 0 42 1,-0.2 225,-1.4 -2,-0.2 226,-0.2 0.262 95.8 98.6 -97.2 14.9 9.8 40.9 20.5 16 16 A K S S+ 0 0 123 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.713 85.1 43.8 -73.3 -22.2 10.5 37.4 19.2 17 17 A T S > S- 0 0 52 -3,-0.5 4,-2.3 1,-0.1 223,-0.2 -0.928 80.6-130.0-122.3 150.8 7.7 35.9 21.2 18 18 A V H > S+ 0 0 94 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.907 106.6 50.9 -67.2 -41.9 4.2 37.3 21.5 19 19 A P H > S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.911 113.0 46.1 -64.2 -38.5 4.0 37.0 25.3 20 20 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.7 51.6 -66.9 -44.1 7.3 38.9 25.7 21 21 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.921 108.3 49.8 -57.6 -49.1 6.2 41.5 23.2 22 22 A E H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.912 111.1 50.1 -58.8 -42.6 2.9 42.2 24.9 23 23 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.909 112.7 46.6 -62.7 -42.6 4.7 42.6 28.3 24 24 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.909 111.4 50.6 -68.1 -42.4 7.2 45.0 26.8 25 25 A Y H X S+ 0 0 26 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.883 111.6 48.9 -62.3 -37.8 4.6 47.1 24.9 26 26 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.907 110.8 49.8 -68.1 -40.5 2.6 47.4 28.2 27 27 A F H X S+ 0 0 37 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.937 114.2 47.2 -60.5 -45.6 5.7 48.4 30.0 28 28 A K H X S+ 0 0 89 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 112.1 46.2 -64.0 -48.3 6.4 51.0 27.3 29 29 A V H < S+ 0 0 2 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.874 113.3 50.1 -66.6 -34.8 2.9 52.5 27.1 30 30 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.2 -5,-0.2 3,-1.2 0.909 109.9 51.0 -68.6 -39.4 2.7 52.7 30.9 31 31 A S H ><5S+ 0 0 39 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.902 104.1 58.4 -62.2 -40.5 6.1 54.5 31.0 32 32 A E T 3<5S+ 0 0 37 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.601 94.4 65.6 -67.4 -9.4 4.8 56.9 28.3 33 33 A M T < 5S- 0 0 19 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.464 125.5-102.6 -86.6 -4.9 2.0 57.8 30.8 34 34 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.679 78.0 137.6 91.0 21.1 4.7 59.3 33.0 35 35 A L < - 0 0 35 -5,-1.2 2,-1.0 -4,-0.2 -1,-0.3 -0.767 57.9-122.2-103.8 147.8 4.8 56.4 35.4 36 36 A N E +a 2 0A 90 -35,-0.5 -33,-3.0 -2,-0.3 2,-0.4 -0.764 47.4 163.8 -88.4 102.0 7.9 54.7 36.9 37 37 A V E -a 3 0A 7 -2,-1.0 2,-0.3 -35,-0.2 -33,-0.2 -0.950 23.8-165.3-128.2 143.8 7.6 51.1 35.9 38 38 A D E -a 4 0A 18 -35,-2.5 -33,-2.5 -2,-0.4 2,-0.5 -0.924 17.7-137.6-120.2 148.4 10.0 48.1 35.8 39 39 A I E -ac 5 48A 1 8,-0.6 10,-2.3 -2,-0.3 2,-0.5 -0.911 21.1-157.0-101.1 131.7 9.5 44.7 34.1 40 40 A I E + c 0 49A 0 -35,-1.9 -33,-0.4 -2,-0.5 2,-0.2 -0.957 27.1 147.0-112.6 126.9 10.6 41.9 36.3 41 41 A S E - c 0 50A 4 8,-2.9 10,-1.8 -2,-0.5 -30,-0.1 -0.701 61.8 -68.3-140.4-167.1 11.6 38.6 34.6 42 42 A L S S+ 0 0 47 -2,-0.2 2,-0.3 8,-0.2 10,-0.3 0.848 111.4 19.2 -59.2 -39.4 13.9 35.7 34.9 43 43 A K S S- 0 0 164 -31,-0.3 -2,-0.2 6,-0.1 2,-0.2 -0.906 83.6 -99.8-133.9 162.2 17.1 37.7 34.1 44 44 A N + 0 0 104 -2,-0.3 2,-0.3 -4,-0.1 5,-0.3 -0.536 60.1 142.7 -74.0 143.0 18.4 41.2 34.0 45 45 A G - 0 0 39 3,-3.0 -32,-0.1 -2,-0.2 5,-0.0 -0.911 64.7 -63.2-163.5-170.9 18.3 42.5 30.5 46 46 A V S S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.918 134.9 19.0 -54.7 -46.7 17.6 45.6 28.3 47 47 A Y S S+ 0 0 86 -34,-0.3 -8,-0.6 -35,-0.1 2,-0.3 0.513 121.7 66.3-102.5 -6.5 14.0 45.7 29.3 48 48 A T E -c 39 0A 11 -10,-0.1 -3,-3.0 -35,-0.1 2,-0.3 -0.857 52.6-155.5-129.5 157.5 14.1 43.7 32.5 49 49 A K E -c 40 0A 77 -10,-2.3 -8,-2.9 -2,-0.3 2,-0.3 -0.780 42.7-101.0-112.4 159.0 15.3 43.4 36.1 50 50 A S E >> -c 41 0A 7 -2,-0.3 3,-1.8 -10,-0.2 4,-0.5 -0.615 12.4-132.5 -88.3 144.5 15.6 39.9 37.7 51 51 A F G >4 S+ 0 0 12 -10,-1.8 3,-0.7 1,-0.3 5,-0.2 0.869 110.8 53.4 -55.9 -38.1 13.1 38.4 40.1 52 52 A D G 34 S+ 0 0 127 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.461 106.5 52.0 -78.6 -3.1 16.1 37.5 42.3 53 53 A E G <4 S+ 0 0 135 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.418 102.4 57.9-116.0 1.5 17.5 41.0 42.4 54 54 A V S << S- 0 0 33 -3,-0.7 2,-0.7 -4,-0.5 3,-0.1 -0.877 75.0-122.2-129.0 161.6 14.5 43.1 43.5 55 55 A D > - 0 0 84 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.923 17.3-150.6-104.5 112.6 12.1 43.3 46.5 56 56 A V G > S+ 0 0 5 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.762 95.1 62.6 -54.2 -26.4 8.6 42.8 45.2 57 57 A N G 3 S+ 0 0 56 1,-0.2 -1,-0.3 33,-0.1 5,-0.0 0.289 83.1 76.5 -85.8 12.9 7.3 44.9 48.1 58 58 A D G < S+ 0 0 106 -3,-2.4 2,-0.4 2,-0.0 -1,-0.2 0.423 84.1 84.8 -94.8 -2.6 9.3 47.9 46.9 59 59 A Y < - 0 0 12 -3,-1.1 -56,-0.2 -4,-0.2 3,-0.1 -0.856 66.0-156.4-104.7 135.0 6.5 48.3 44.3 60 60 A D S S+ 0 0 74 -58,-2.4 2,-0.4 -2,-0.4 -57,-0.2 0.721 85.8 28.3 -77.6 -24.6 3.3 50.2 45.0 61 61 A R E -b 3 0A 54 -59,-1.2 -57,-2.5 31,-0.1 2,-0.5 -0.999 65.8-158.4-140.8 135.8 1.5 48.3 42.3 62 62 A L E -bd 4 94A 0 31,-0.7 33,-2.6 -2,-0.4 2,-0.4 -0.957 11.6-169.7-118.9 113.3 2.0 44.8 40.8 63 63 A I E -bd 5 95A 0 -59,-3.2 -57,-2.0 -2,-0.5 2,-0.5 -0.858 3.5-163.5-103.4 133.8 0.6 44.2 37.4 64 64 A V E -bd 6 96A 0 31,-3.2 33,-2.8 -2,-0.4 2,-0.4 -0.958 12.8-143.1-125.8 118.3 0.6 40.7 36.0 65 65 A V E -bd 7 97A 2 -59,-3.2 -57,-2.4 -2,-0.5 -56,-0.3 -0.624 39.2-105.1 -76.6 129.7 0.1 39.8 32.3 66 66 A N + 0 0 5 31,-2.0 2,-0.3 -2,-0.4 -57,-0.2 -0.013 47.8 160.9 -56.0 155.2 -2.0 36.6 32.1 67 67 A S - 0 0 2 36,-0.4 2,-0.1 -59,-0.1 -57,-0.0 -0.965 35.7-105.9-162.3 169.3 -0.6 33.2 31.2 68 68 A S - 0 0 51 -2,-0.3 2,-0.6 -59,-0.1 35,-0.1 -0.405 27.7-121.1 -93.8 176.4 -1.4 29.5 31.5 69 69 A I + 0 0 28 -2,-0.1 2,-0.5 38,-0.1 -60,-0.0 -0.898 48.8 158.3-120.8 93.0 0.2 27.1 34.0 70 70 A N - 0 0 71 -2,-0.6 2,-1.6 -61,-0.1 10,-0.1 -0.936 31.2-161.9-126.4 108.0 1.7 24.5 31.6 71 71 A F > - 0 0 7 -2,-0.5 3,-2.5 3,-0.1 4,-0.2 -0.601 26.5-147.4 -88.9 77.8 4.6 22.3 32.7 72 72 A F G > S+ 0 0 128 -2,-1.6 3,-1.9 1,-0.3 -2,-0.0 -0.100 79.1 8.2 -46.6 136.5 5.7 21.3 29.2 73 73 A G G 3 S- 0 0 73 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.585 123.9 -80.0 65.2 9.1 7.1 17.8 29.1 74 74 A G G < S+ 0 0 31 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.527 103.7 125.8 75.0 4.6 5.9 17.4 32.7 75 75 A K S < S- 0 0 121 -3,-1.9 -1,-0.3 -4,-0.2 40,-0.0 -0.566 72.2 -79.6 -95.6 157.9 9.0 19.3 33.7 76 76 A P - 0 0 50 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.191 35.1-145.5 -54.5 146.5 9.3 22.4 35.8 77 77 A N > - 0 0 28 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.931 8.1-163.8-117.4 99.9 8.5 25.7 34.0 78 78 A L H > S+ 0 0 93 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.834 83.2 59.2 -55.2 -38.3 10.8 28.3 35.5 79 79 A A H > S+ 0 0 10 -70,-0.2 4,-2.0 1,-0.2 -69,-0.3 0.953 112.4 37.1 -58.3 -52.2 8.8 31.3 34.1 80 80 A I H > S+ 0 0 0 -71,-0.4 4,-2.5 -3,-0.2 5,-0.3 0.902 118.3 49.9 -68.4 -41.3 5.6 30.4 35.9 81 81 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.916 114.2 43.8 -65.2 -43.0 7.3 29.1 39.1 82 82 A S H X S+ 0 0 21 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.893 113.9 51.4 -70.4 -38.2 9.4 32.2 39.5 83 83 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.938 112.8 43.3 -64.5 -47.7 6.6 34.5 38.7 84 84 A Q H X S+ 0 0 0 -4,-2.5 4,-2.8 -76,-0.3 -1,-0.2 0.857 111.4 55.2 -68.0 -31.9 4.1 33.0 41.2 85 85 A K H X S+ 0 0 68 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.906 111.1 45.9 -64.0 -39.4 6.9 32.8 43.8 86 86 A F H >X S+ 0 0 3 -4,-1.9 3,-0.6 1,-0.2 4,-0.6 0.915 114.1 47.7 -67.8 -45.0 7.4 36.6 43.2 87 87 A M H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 43,-0.2 0.851 104.0 61.5 -65.0 -36.7 3.6 37.2 43.4 88 88 A A H 3< S+ 0 0 25 -4,-2.8 41,-0.3 37,-0.3 -1,-0.2 0.772 103.6 49.7 -62.6 -27.9 3.3 35.1 46.6 89 89 A K H << S+ 0 0 98 -4,-0.8 -1,-0.2 -3,-0.6 2,-0.2 0.617 85.4 106.0 -87.9 -13.0 5.6 37.5 48.5 90 90 A Y << - 0 0 5 -3,-0.9 40,-0.2 -4,-0.6 39,-0.2 -0.495 55.1-160.2 -70.4 133.5 3.7 40.6 47.5 91 91 A K + 0 0 167 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.027 63.5 60.5-104.3 25.6 1.6 42.1 50.3 92 92 A S S S- 0 0 58 1,-0.0 2,-0.1 39,-0.0 -31,-0.1 -0.788 96.7 -57.4-138.7-177.5 -0.8 44.2 48.3 93 93 A K - 0 0 41 -2,-0.2 -31,-0.7 37,-0.1 2,-0.4 -0.402 48.3-142.5 -68.3 138.5 -3.5 43.9 45.6 94 94 A I E -de 62 132A 0 37,-2.4 39,-3.0 -33,-0.1 2,-0.7 -0.860 1.8-145.4-105.9 136.3 -2.5 42.3 42.3 95 95 A Y E -de 63 133A 9 -33,-2.6 -31,-3.2 -2,-0.4 2,-0.6 -0.894 13.9-161.0-104.5 109.1 -3.8 43.6 39.0 96 96 A Y E -de 64 134A 0 37,-2.5 39,-2.9 -2,-0.7 2,-0.9 -0.815 9.9-145.0 -94.4 115.4 -4.2 40.7 36.6 97 97 A L E -de 65 135A 0 -33,-2.8 -31,-2.0 -2,-0.6 2,-1.3 -0.714 12.1-163.4 -84.0 107.9 -4.4 41.7 32.9 98 98 A F E + e 0 136A 0 37,-2.4 39,-2.2 -2,-0.9 40,-0.4 -0.684 32.3 146.0 -95.6 81.9 -6.8 39.3 31.3 99 99 A T + 0 0 12 -2,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.580 63.2 49.0 -92.9 -13.3 -6.1 39.8 27.6 100 100 A D > - 0 0 27 -3,-0.2 3,-2.3 3,-0.1 -1,-0.2 -0.982 69.5-145.9-134.2 120.9 -6.8 36.2 26.6 101 101 A I T 3 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.742 99.9 60.9 -55.5 -25.9 -9.9 34.2 27.5 102 102 A R T 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.0 -35,-0.0 0.610 98.0 63.3 -76.9 -12.5 -7.8 31.0 27.7 103 103 A L < + 0 0 23 -3,-2.3 -36,-0.4 -35,-0.1 -1,-0.2 -0.319 62.0 160.3-113.6 51.2 -5.6 32.4 30.4 104 104 A P - 0 0 31 0, 0.0 -37,-0.1 0, 0.0 44,-0.1 -0.334 53.1 -87.9 -68.6 154.7 -7.5 33.1 33.6 105 105 A F + 0 0 4 -9,-0.1 2,-0.3 -39,-0.1 46,-0.1 -0.320 56.5 166.9 -61.2 143.8 -5.5 33.4 36.8 106 106 A S - 0 0 42 -3,-0.1 2,-0.3 -38,-0.1 45,-0.0 -0.973 37.0-104.6-153.5 158.3 -4.9 30.1 38.7 107 107 A Q - 0 0 37 -2,-0.3 4,-0.2 1,-0.1 20,-0.1 -0.697 17.2-156.5 -87.7 138.8 -2.7 28.9 41.5 108 108 A S S >> S+ 0 0 0 18,-0.4 4,-2.9 -2,-0.3 3,-1.3 0.780 80.9 76.2 -85.1 -27.3 0.3 26.7 40.6 109 109 A W H 3> S+ 0 0 38 1,-0.3 4,-3.0 17,-0.2 5,-0.3 0.912 89.9 54.2 -51.0 -51.9 0.6 24.9 44.0 110 110 A P H 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.779 116.3 42.3 -55.6 -23.2 -2.4 22.6 43.4 111 111 A N H X4 S+ 0 0 48 -3,-1.3 3,-0.7 -4,-0.2 -2,-0.2 0.894 116.8 44.6 -86.9 -48.0 -0.6 21.6 40.2 112 112 A V H >< S+ 0 0 0 -4,-2.9 3,-2.9 1,-0.2 -3,-0.2 0.909 100.7 67.3 -63.5 -47.2 2.9 21.4 41.5 113 113 A K T 3< S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.706 101.9 48.7 -49.9 -25.4 2.1 19.5 44.8 114 114 A N T < S+ 0 0 135 -3,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.269 91.9 102.1-101.1 12.0 1.2 16.4 42.8 115 115 A R S X S- 0 0 77 -3,-2.9 3,-1.5 1,-0.1 4,-0.2 -0.584 80.4-122.4 -91.8 155.4 4.3 16.4 40.6 116 116 A P G > S+ 0 0 117 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.837 116.3 51.0 -66.4 -29.4 7.2 14.1 41.2 117 117 A W G > S+ 0 0 24 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.158 75.4 116.3 -91.5 19.2 9.5 17.1 41.6 118 118 A A G X + 0 0 18 -3,-1.5 3,-2.3 1,-0.3 -1,-0.2 0.815 59.4 73.1 -56.1 -33.8 7.1 18.6 44.1 119 119 A Y G < S+ 0 0 190 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.696 82.6 71.5 -56.8 -19.1 9.7 18.4 46.8 120 120 A L G < S+ 0 0 87 -3,-1.9 -1,-0.3 2,-0.0 2,-0.3 0.700 105.1 35.6 -71.8 -18.8 11.5 21.3 45.1 121 121 A Y < - 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0 0 35 -4,-1.3 4,-2.3 -5,-0.1 -1,-0.2 -0.852 51.6-179.3-133.0 101.9 -11.3 48.0 -8.1 317 317 A D H > S+ 0 0 99 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.841 90.4 60.0 -62.7 -32.0 -8.3 50.0 -6.8 318 318 A V H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 108.0 43.3 -61.8 -43.1 -10.8 52.9 -6.2 319 319 A L H > S+ 0 0 29 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 115.2 48.9 -67.5 -45.2 -12.8 50.7 -3.9 320 320 A R H X S+ 0 0 20 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.925 113.2 46.2 -61.1 -47.2 -9.8 49.3 -2.1 321 321 A K H X S+ 0 0 91 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.867 111.2 53.5 -64.6 -36.7 -8.2 52.7 -1.6 322 322 A E H X S+ 0 0 85 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.922 110.0 46.7 -63.9 -45.6 -11.5 54.1 -0.3 323 323 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.893 110.6 51.9 -65.8 -38.6 -11.9 51.4 2.3 324 324 A L H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.923 109.3 51.2 -62.4 -42.7 -8.3 51.8 3.5 325 325 A S H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.903 111.7 48.7 -59.7 -42.4 -8.9 55.6 3.8 326 326 A I H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 112.0 44.8 -65.4 -51.3 -12.0 54.8 5.9 327 327 A Q H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.863 113.8 52.1 -64.3 -31.9 -10.5 52.3 8.3 328 328 A H H X S+ 0 0 28 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.888 109.9 48.7 -69.6 -38.2 -7.5 54.6 8.7 329 329 A D H X S+ 0 0 79 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.916 110.3 51.1 -66.7 -42.2 -9.8 57.5 9.6 330 330 A I H X S+ 0 0 44 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.887 109.1 51.1 -62.7 -39.0 -11.7 55.4 12.1 331 331 A L H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.9 0.937 107.4 53.1 -63.8 -45.7 -8.5 54.3 13.8 332 332 A N H 3X S+ 0 0 64 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.829 101.0 61.0 -59.1 -33.7 -7.3 57.9 14.1 333 333 A K H 3< S+ 0 0 116 -4,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.847 108.1 43.9 -64.0 -32.1 -10.6 58.8 15.8 334 334 A T H X< S+ 0 0 31 -4,-1.0 3,-1.6 -3,-0.9 -2,-0.2 0.861 108.6 56.7 -79.6 -35.3 -9.8 56.4 18.6 335 335 A R H >< S+ 0 0 88 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.790 96.7 66.4 -63.6 -26.3 -6.2 57.6 18.7 336 336 A A T 3< S+ 0 0 85 -4,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.708 95.0 57.8 -67.5 -19.2 -7.6 61.0 19.3 337 337 A K T <> + 0 0 121 -3,-1.6 4,-2.0 -4,-0.2 3,-0.3 0.038 68.4 122.7 -99.9 25.6 -9.0 59.8 22.7 338 338 A K H <> S+ 0 0 51 -3,-1.3 4,-2.8 1,-0.2 5,-0.2 0.909 70.9 52.6 -52.2 -50.6 -5.5 58.8 24.0 339 339 A A H > S+ 0 0 70 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.875 109.1 50.5 -55.7 -40.2 -5.7 60.9 27.1 340 340 A E H > S+ 0 0 140 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.888 111.5 48.6 -65.1 -40.4 -9.1 59.4 28.0 341 341 A W H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 111.0 49.3 -66.5 -44.8 -7.6 55.9 27.6 342 342 A Q H X S+ 0 0 38 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.918 111.5 49.3 -61.7 -44.3 -4.5 56.7 29.7 343 343 A D H X S+ 0 0 76 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.902 110.2 50.8 -62.6 -41.7 -6.7 58.1 32.5 344 344 A A H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.851 109.6 50.9 -66.0 -34.9 -9.0 55.1 32.5 345 345 A F H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.955 108.6 51.2 -67.0 -47.8 -6.0 52.7 32.7 346 346 A K H ><>S+ 0 0 68 -4,-2.5 5,-2.7 1,-0.2 3,-0.6 0.924 111.2 47.8 -53.5 -47.1 -4.6 54.6 35.6 347 347 A K H ><5S+ 0 0 120 -4,-2.3 3,-2.0 3,-0.3 -1,-0.2 0.869 104.6 60.8 -63.6 -35.2 -7.9 54.4 37.4 348 348 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.7 41.6 -61.2 -32.5 -8.1 50.7 36.6 349 349 A I T <<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.023 126.2-102.6-103.1 26.8 -4.9 50.2 38.6 350 350 A D T < 5 0 0 68 -3,-2.0 -3,-0.3 1,-0.2 -2,-0.1 0.857 360.0 360.0 57.0 45.4 -6.0 52.6 41.3 351 351 A L < 0 0 64 -5,-2.7 -1,-0.2 -8,-0.2 -2,-0.1 -0.717 360.0 360.0-125.4 360.0 -4.0 55.6 40.3 352 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 353 1 B M 0 0 107 0, 0.0 35,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 112.3 40.0 -20.2 10.4 354 2 B K E -m 388 0D 73 56,-0.1 58,-2.1 33,-0.1 59,-1.3 -0.980 360.0-166.4-121.0 125.7 42.3 -17.2 10.9 355 3 B I E -mn 389 413D 0 33,-2.7 35,-2.3 -2,-0.5 2,-0.4 -0.877 5.3-162.7-115.1 143.8 41.1 -14.1 12.8 356 4 B A E -mn 390 414D 0 57,-2.5 59,-3.3 -2,-0.4 2,-0.4 -0.978 5.2-171.1-123.8 136.7 42.6 -10.6 13.0 357 5 B I E +mn 391 415D 0 33,-2.5 35,-1.8 -2,-0.4 2,-0.3 -0.995 10.5 169.3-128.6 135.8 41.8 -8.0 15.6 358 6 B I E - n 0 416D 0 57,-2.1 59,-3.0 -2,-0.4 2,-0.5 -0.937 35.5-121.0-139.4 161.1 42.9 -4.4 15.6 359 7 B N E - n 0 417D 6 33,-0.4 3,-0.2 -2,-0.3 59,-0.1 -0.920 24.8-141.6-102.2 129.9 42.1 -1.2 17.4 360 8 B M S S+ 0 0 0 57,-2.3 76,-0.3 -2,-0.5 75,-0.2 0.709 88.1 10.0 -68.5 -19.1 40.9 1.4 14.9 361 9 B G S S+ 0 0 6 56,-0.2 71,-0.4 57,-0.2 2,-0.4 0.308 110.5 69.7-147.8 18.5 42.7 4.4 16.4 362 10 B N S S- 0 0 62 69,-0.3 -3,-0.3 -3,-0.2 -1,-0.1 -1.000 74.4-113.4-141.4 141.0 45.2 3.5 19.2 363 11 B N - 0 0 62 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.374 30.7-140.5 -67.5 149.4 48.5 1.8 19.1 364 12 B V + 0 0 1 1,-0.1 31,-0.3 31,-0.1 35,-0.1 -0.972 51.1 118.8-119.1 122.8 48.5 -1.6 20.9 365 13 B I S S- 0 0 95 -2,-0.5 34,-0.3 1,-0.5 2,-0.2 0.423 72.3 -25.6-142.4 -60.1 51.5 -2.5 23.1 366 14 B N S S- 0 0 53 32,-0.1 -1,-0.5 33,-0.0 3,-0.4 -0.531 75.2 -72.1-142.0-153.0 50.7 -3.1 26.7 367 15 B F S S+ 0 0 43 1,-0.2 225,-1.5 -2,-0.2 226,-0.2 0.232 93.3 101.2-101.9 14.6 48.3 -2.2 29.5 368 16 B K S S+ 0 0 128 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.748 85.5 44.1 -68.9 -24.4 49.4 1.4 30.0 369 17 B T S > S- 0 0 50 -3,-0.4 4,-2.2 1,-0.1 223,-0.2 -0.905 80.5-129.2-121.8 152.7 46.5 2.6 28.0 370 18 B V H > S+ 0 0 98 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.924 107.7 50.2 -64.2 -45.4 42.8 1.6 28.1 371 19 B P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.906 112.4 45.9 -61.1 -43.7 42.5 1.1 24.3 372 20 B S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 114.3 50.5 -64.2 -45.0 45.7 -1.1 24.1 373 21 B S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.933 108.1 49.7 -57.6 -52.1 44.4 -3.1 27.2 374 22 B E H X S+ 0 0 23 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.884 111.8 50.5 -57.4 -38.4 40.9 -3.7 25.8 375 23 B T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.7 46.1 -67.3 -42.9 42.4 -5.0 22.5 376 24 B I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 112.2 50.7 -67.1 -41.9 44.9 -7.4 24.2 377 25 B Y H X S+ 0 0 34 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.922 111.8 48.0 -61.2 -44.0 42.2 -8.7 26.6 378 26 B L H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.897 110.7 51.4 -64.1 -40.4 39.9 -9.4 23.6 379 27 B F H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 114.2 44.9 -59.2 -48.2 42.7 -11.0 21.7 380 28 B K H X S+ 0 0 90 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.919 112.2 48.8 -64.1 -47.3 43.4 -13.3 24.7 381 29 B V H < S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.4 48.5 -65.2 -32.0 39.8 -14.2 25.5 382 30 B I H ><>S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.2 5,-1.2 0.902 111.1 50.1 -72.9 -39.6 39.2 -15.0 21.8 383 31 B S H ><5S+ 0 0 37 -4,-2.3 3,-2.4 1,-0.3 4,-0.3 0.907 104.4 58.6 -63.4 -40.2 42.4 -17.1 21.8 384 32 B E T 3<5S+ 0 0 36 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.559 93.7 67.4 -67.5 -6.3 41.2 -18.9 24.9 385 33 B M T < 5S- 0 0 16 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.428 124.6-104.2 -88.8 -2.6 38.1 -19.9 22.9 386 34 B G T < 5S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.715 78.3 137.8 86.0 22.0 40.4 -22.1 20.9 387 35 B L < - 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0 0 36 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 -0.919 52.4-178.3-121.2 110.0 28.7 -2.6 60.1 669 317 B D H > S+ 0 0 80 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.797 90.0 60.1 -71.2 -27.0 31.4 -5.0 59.0 670 318 B V H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 107.6 44.0 -66.3 -39.6 28.8 -7.7 59.0 671 319 B L H > S+ 0 0 31 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.934 113.4 50.4 -70.1 -47.6 26.8 -5.8 56.4 672 320 B R H X S+ 0 0 32 -4,-2.1 4,-2.2 -7,-0.4 -2,-0.2 0.936 114.0 44.3 -57.2 -48.9 29.8 -4.9 54.3 673 321 B K H X S+ 0 0 127 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.854 111.7 54.0 -66.8 -33.5 31.0 -8.5 54.2 674 322 B E H X S+ 0 0 82 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.939 110.7 45.4 -65.3 -46.3 27.5 -9.8 53.5 675 323 B M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.875 111.1 52.5 -66.1 -36.7 27.1 -7.5 50.5 676 324 B L H X S+ 0 0 10 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.894 108.5 52.1 -64.5 -38.1 30.6 -8.3 49.1 677 325 B S H X S+ 0 0 77 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.907 110.2 49.1 -63.2 -41.4 29.6 -12.0 49.4 678 326 B I H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.947 111.8 45.5 -65.1 -50.9 26.5 -11.4 47.4 679 327 B Q H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 114.0 50.4 -63.4 -35.7 28.1 -9.4 44.5 680 328 B H H X S+ 0 0 28 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.914 111.0 49.5 -67.2 -39.5 30.8 -12.0 44.3 681 329 B D H X S+ 0 0 74 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.911 110.6 49.5 -63.8 -42.8 28.2 -14.7 44.2 682 330 B I H X S+ 0 0 48 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.897 111.5 49.5 -64.3 -38.5 26.3 -12.9 41.4 683 331 B L H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.930 109.1 51.6 -66.1 -44.1 29.5 -12.5 39.5 684 332 B N H 3X S+ 0 0 62 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.806 104.0 57.9 -63.6 -29.1 30.4 -16.2 39.8 685 333 B K H 3< S+ 0 0 123 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.818 107.3 47.6 -70.4 -30.2 27.0 -17.2 38.5 686 334 B T H X< S+ 0 0 30 -4,-1.1 3,-1.4 -3,-0.6 -2,-0.2 0.864 108.1 54.9 -76.7 -36.5 27.7 -15.3 35.3 687 335 B R H >< S+ 0 0 81 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.816 97.0 65.8 -64.5 -29.9 31.1 -16.9 35.0 688 336 B A T 3< S+ 0 0 86 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.698 95.2 59.2 -64.8 -18.7 29.4 -20.3 35.2 689 337 B K T <> + 0 0 125 -3,-1.4 4,-1.9 -4,-0.3 3,-0.4 0.069 68.7 124.5 -97.5 23.2 27.8 -19.4 31.9 690 338 B K H <> + 0 0 54 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.896 69.9 52.1 -48.6 -51.7 31.2 -19.0 30.2 691 339 B A H > S+ 0 0 58 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.887 108.8 51.4 -55.7 -41.1 30.4 -21.5 27.4 692 340 B E H > S+ 0 0 128 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.882 110.7 48.4 -64.6 -37.7 27.2 -19.7 26.6 693 341 B W H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 112.0 48.4 -68.0 -46.2 29.0 -16.4 26.4 694 342 B Q H X S+ 0 0 36 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 111.7 50.2 -59.7 -45.5 31.8 -17.9 24.1 695 343 B D H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.886 110.0 50.1 -61.0 -40.6 29.1 -19.5 21.9 696 344 B A H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 110.6 50.4 -67.0 -36.7 27.2 -16.2 21.6 697 345 B F H X S+ 0 0 4 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.940 109.4 49.7 -66.8 -46.0 30.5 -14.4 20.7 698 346 B K H <>S+ 0 0 57 -4,-2.6 5,-2.9 1,-0.2 3,-0.5 0.920 111.4 49.7 -58.2 -42.2 31.3 -16.9 18.0 699 347 B K H ><5S+ 0 0 123 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.881 104.8 59.1 -63.1 -37.7 27.8 -16.6 16.6 700 348 B A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 110.1 42.1 -61.6 -32.1 28.2 -12.8 16.6 701 349 B I T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.015 124.5-102.9-104.5 26.9 31.2 -13.1 14.3 702 350 B D T < 5 0 0 65 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.843 360.0 360.0 58.0 43.5 29.5 -15.7 12.1 703 351 B L < 0 0 73 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.0 -0.562 360.0 360.0-119.1 360.0 31.3 -18.8 13.5