==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 31-MAR-04 1SXQ . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*AP*GP*TP*TP*TP*TP*TP*T)-3'; . 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) . 32220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 66.8 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 . 56 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 14.1 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 5 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 99 0, 0.0 35,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 103.5 11.2 8.5 -23.5 2 2 A K E -a 36 0A 104 56,-0.1 58,-2.9 33,-0.1 59,-1.4 -0.941 360.0-164.0-113.2 124.0 10.5 8.8 -19.8 3 3 A I E -ab 37 61A 0 33,-2.9 35,-2.3 -2,-0.5 2,-0.4 -0.850 5.0-164.4-110.1 141.3 11.5 5.9 -17.5 4 4 A A E -ab 38 62A 0 57,-2.2 59,-3.1 -2,-0.4 2,-0.4 -0.970 5.7-169.2-121.0 136.8 10.4 5.3 -14.0 5 5 A I E +ab 39 63A 0 33,-2.6 35,-2.1 -2,-0.4 2,-0.3 -0.988 10.5 171.0-127.8 137.7 12.2 2.9 -11.7 6 6 A I E - b 0 64A 0 57,-2.2 59,-3.2 -2,-0.4 2,-0.5 -0.953 34.2-121.8-141.0 160.9 10.9 1.6 -8.3 7 7 A N E - b 0 65A 4 33,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.912 23.6-143.3-102.1 130.8 11.8 -0.9 -5.7 8 8 A M S S+ 0 0 0 57,-2.2 76,-0.2 -2,-0.5 75,-0.2 0.674 87.7 9.9 -71.5 -16.3 8.9 -3.3 -5.2 9 9 A G S S+ 0 0 6 56,-0.2 2,-0.4 57,-0.2 71,-0.4 0.358 110.7 68.9-148.7 14.3 9.2 -3.7 -1.4 10 10 A N S S- 0 0 62 69,-0.3 -3,-0.2 -3,-0.1 -1,-0.1 -0.999 74.2-112.9-139.8 141.3 11.7 -1.3 0.2 11 11 A N - 0 0 61 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.398 30.4-142.6 -68.0 146.3 11.7 2.4 0.8 12 12 A V + 0 0 2 1,-0.1 31,-0.3 31,-0.1 3,-0.1 -0.967 48.5 122.2-116.9 121.9 14.3 4.3 -1.2 13 13 A I S S- 0 0 98 -2,-0.5 34,-0.3 1,-0.5 2,-0.2 0.456 70.2 -26.5-138.3 -62.8 16.1 7.2 0.5 14 14 A N S S- 0 0 53 32,-0.1 3,-0.5 33,-0.1 -1,-0.5 -0.583 74.0 -73.0-141.8-156.5 19.9 6.9 0.6 15 15 A F S S+ 0 0 29 1,-0.2 225,-0.8 -2,-0.2 226,-0.3 0.210 96.0 98.9 -98.1 17.9 22.8 4.4 0.8 16 16 A K S S+ 0 0 159 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.580 85.4 42.9 -79.5 -11.0 22.1 3.4 4.4 17 17 A T S > S- 0 0 62 -3,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.972 80.6-128.7-132.4 149.7 20.2 0.2 3.3 18 18 A V H > S+ 0 0 81 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.920 106.8 51.0 -64.9 -45.9 21.1 -2.2 0.5 19 19 A P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 114.3 45.0 -59.8 -41.1 17.8 -2.2 -1.3 20 20 A S H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 113.1 51.0 -65.5 -49.2 17.8 1.6 -1.4 21 21 A S H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.923 109.7 48.5 -53.5 -51.3 21.4 1.7 -2.5 22 22 A E H X S+ 0 0 34 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.871 111.2 50.7 -60.8 -37.0 20.9 -0.7 -5.4 23 23 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.915 113.1 45.3 -68.1 -40.7 17.9 1.2 -6.6 24 24 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.913 111.3 52.6 -68.6 -41.4 19.7 4.5 -6.6 25 25 A Y H X S+ 0 0 19 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.910 110.9 48.0 -58.9 -42.4 22.8 2.9 -8.3 26 26 A L H X S+ 0 0 5 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.928 110.0 51.4 -64.4 -44.3 20.5 1.6 -11.0 27 27 A F H X S+ 0 0 40 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 113.1 47.7 -56.5 -43.5 18.9 5.0 -11.4 28 28 A K H X S+ 0 0 67 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.937 111.4 46.4 -65.8 -49.4 22.4 6.5 -11.7 29 29 A V H < S+ 0 0 5 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.843 114.3 48.9 -65.8 -31.0 23.7 4.0 -14.3 30 30 A I H ><>S+ 0 0 1 -4,-2.2 5,-1.4 -5,-0.2 3,-1.1 0.911 111.4 49.5 -73.5 -39.8 20.6 4.4 -16.4 31 31 A S H ><5S+ 0 0 42 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.890 106.3 58.4 -63.1 -37.9 20.8 8.2 -16.2 32 32 A E T 3<5S+ 0 0 64 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.595 95.4 61.8 -70.5 -11.8 24.4 7.9 -17.2 33 33 A M T < 5S- 0 0 13 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.212 127.2 -97.3 -97.3 17.9 23.6 6.1 -20.4 34 34 A G T < 5S+ 0 0 72 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.612 79.7 136.7 82.3 15.7 21.6 9.2 -21.5 35 35 A L < - 0 0 29 -5,-1.4 2,-0.8 -33,-0.0 -1,-0.3 -0.737 56.7-123.4 -99.1 144.3 18.1 8.1 -20.4 36 36 A N E +a 2 0A 88 -35,-0.6 -33,-2.9 -2,-0.3 2,-0.4 -0.754 46.7 163.9 -85.5 108.7 15.6 10.3 -18.6 37 37 A V E -a 3 0A 5 -2,-0.8 2,-0.4 -35,-0.2 -33,-0.2 -0.982 24.4-166.7-135.1 142.2 14.7 8.3 -15.5 38 38 A D E -a 4 0A 33 -35,-2.3 -33,-2.6 -2,-0.4 2,-0.5 -0.944 18.9-136.9-121.3 144.0 13.0 9.1 -12.1 39 39 A I E -ac 5 48A 1 8,-0.6 10,-2.1 -2,-0.4 2,-0.5 -0.878 21.1-157.6 -96.6 133.0 13.0 6.9 -9.0 40 40 A I E + c 0 49A 0 -35,-2.1 -33,-0.4 -2,-0.5 10,-0.2 -0.963 26.8 146.6-114.0 127.3 9.5 6.8 -7.5 41 41 A S E - c 0 50A 3 8,-3.0 10,-2.2 -2,-0.5 -30,-0.1 -0.674 61.9 -66.5-140.5-164.6 9.2 5.9 -3.8 42 42 A L S S+ 0 0 41 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.871 110.8 10.2 -62.0 -38.9 7.1 6.6 -0.7 43 43 A K S S- 0 0 150 -31,-0.3 -2,-0.2 6,-0.2 -31,-0.1 -0.917 85.7 -89.4-139.1 164.6 8.2 10.3 -0.4 44 44 A N + 0 0 84 -2,-0.3 2,-0.3 -4,-0.1 5,-0.2 -0.406 59.1 148.1 -68.1 150.9 10.0 13.0 -2.3 45 45 A G - 0 0 45 3,-2.4 -32,-0.1 -2,-0.1 -31,-0.0 -0.932 62.4 -64.9-165.2-173.4 13.7 13.0 -1.5 46 46 A V S S+ 0 0 129 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.1 0.887 135.2 16.9 -54.0 -40.9 17.2 13.7 -2.9 47 47 A Y S S+ 0 0 71 -34,-0.3 -8,-0.6 -35,-0.1 2,-0.3 0.401 120.3 68.7-114.5 1.1 16.8 10.9 -5.4 48 48 A T E -c 39 0A 14 -10,-0.1 -3,-2.4 -35,-0.1 2,-0.3 -0.862 51.8-153.5-132.1 162.0 13.1 10.3 -5.5 49 49 A K E -c 40 0A 84 -10,-2.1 -8,-3.0 -2,-0.3 2,-0.3 -0.765 41.6-101.2-115.1 162.5 9.6 11.5 -6.4 50 50 A S E >> -c 41 0A 8 -2,-0.3 3,-1.8 -10,-0.2 4,-0.5 -0.684 12.4-132.2 -94.5 142.7 6.5 10.3 -4.5 51 51 A F G >4 S+ 0 0 16 -10,-2.2 3,-0.9 -2,-0.3 5,-0.2 0.894 109.6 53.3 -52.9 -42.2 4.1 7.6 -5.7 52 52 A D G 34 S+ 0 0 141 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.488 106.7 51.4 -75.4 -3.7 1.2 10.0 -4.8 53 53 A E G <4 S+ 0 0 136 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.385 103.8 58.7-114.8 3.1 2.5 12.9 -6.8 54 54 A V S << S- 0 0 37 -3,-0.9 2,-0.7 -4,-0.5 3,-0.1 -0.916 73.2-127.2-131.0 158.2 3.1 11.3 -10.2 55 55 A D > - 0 0 74 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.923 15.7-151.3-104.9 112.4 1.0 9.4 -12.7 56 56 A V G > S+ 0 0 3 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.793 94.0 63.3 -54.2 -28.4 2.7 6.1 -13.5 57 57 A N G 3 S+ 0 0 64 1,-0.3 -1,-0.3 33,-0.1 5,-0.0 0.423 83.3 74.7 -80.8 5.0 1.2 6.2 -17.0 58 58 A D G < S+ 0 0 106 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.563 87.0 83.3 -86.1 -10.2 3.1 9.4 -17.9 59 59 A Y < - 0 0 16 -3,-1.3 -56,-0.2 -4,-0.3 3,-0.1 -0.668 67.9-153.1 -95.4 150.4 6.1 7.1 -18.2 60 60 A D S S+ 0 0 69 -58,-2.9 2,-0.3 -2,-0.3 -57,-0.2 0.641 84.5 29.8 -93.9 -18.3 7.0 5.0 -21.2 61 61 A R E -b 3 0A 46 -59,-1.4 -57,-2.2 31,-0.1 2,-0.5 -0.997 64.4-158.9-143.0 135.2 8.8 2.3 -19.3 62 62 A L E -bd 4 94A 0 31,-0.9 33,-2.8 -2,-0.3 2,-0.4 -0.968 12.2-170.4-118.6 116.3 8.3 1.0 -15.8 63 63 A I E -bd 5 95A 0 -59,-3.1 -57,-2.2 -2,-0.5 2,-0.5 -0.894 2.9-163.7-108.1 133.8 11.3 -0.8 -14.3 64 64 A V E -bd 6 96A 0 31,-3.2 33,-3.0 -2,-0.4 2,-0.4 -0.966 13.5-141.6-125.2 123.0 11.0 -2.6 -11.0 65 65 A V E -bd 7 97A 0 -59,-3.2 -57,-2.2 -2,-0.5 -56,-0.2 -0.656 37.7-108.1 -79.0 129.8 13.8 -3.8 -8.7 66 66 A N + 0 0 1 31,-2.0 2,-0.3 -2,-0.4 -57,-0.2 -0.124 48.5 159.9 -58.6 153.5 13.0 -7.2 -7.2 67 67 A S - 0 0 2 36,-0.4 2,-0.1 37,-0.1 -57,-0.0 -0.979 43.1 -94.5-165.7 164.0 12.0 -7.6 -3.6 68 68 A S - 0 0 61 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.489 25.2-160.4 -79.2 156.6 10.3 -9.8 -1.1 69 69 A I + 0 0 18 -2,-0.1 2,-0.2 38,-0.1 -1,-0.1 0.051 37.1 143.3-127.7 25.7 6.7 -8.9 -0.5 70 70 A N - 0 0 72 1,-0.1 2,-1.3 10,-0.0 10,-0.1 -0.479 46.8-140.8 -71.3 131.2 6.2 -10.7 2.9 71 71 A F > - 0 0 3 -2,-0.2 3,-2.3 40,-0.1 -1,-0.1 -0.709 21.9-150.7 -94.1 85.4 4.0 -8.9 5.3 72 72 A F G > S+ 0 0 154 -2,-1.3 3,-1.5 1,-0.3 0, 0.0 -0.262 81.5 13.4 -56.6 138.0 5.9 -9.6 8.6 73 73 A G G 3 S- 0 0 76 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.484 120.9 -88.2 72.8 0.7 3.6 -9.7 11.6 74 74 A G G < S+ 0 0 21 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.741 94.2 135.8 67.9 20.8 0.7 -9.9 9.1 75 75 A K < - 0 0 140 -3,-1.5 -1,-0.3 1,-0.1 2,-0.0 -0.615 64.1 -90.0 -99.3 159.8 0.8 -6.1 9.2 76 76 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.381 32.4-160.0 -67.6 146.3 0.5 -3.7 6.2 77 77 A N > - 0 0 56 1,-0.1 4,-2.5 -8,-0.1 3,-0.5 -0.941 2.6-162.2-129.2 105.0 3.8 -2.7 4.6 78 78 A L H > S+ 0 0 104 -2,-0.5 4,-2.8 1,-0.2 5,-0.4 0.788 86.8 62.5 -60.8 -30.4 3.4 0.5 2.6 79 79 A A H > S+ 0 0 13 -70,-0.2 4,-1.2 2,-0.2 -69,-0.3 0.938 113.2 36.3 -60.5 -44.7 6.6 0.0 0.6 80 80 A I H > S+ 0 0 3 -3,-0.5 4,-2.4 -71,-0.4 5,-0.2 0.948 120.9 45.7 -71.9 -51.0 5.1 -3.2 -0.9 81 81 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.905 114.2 46.2 -62.2 -45.0 1.5 -2.0 -1.1 82 82 A S H X S+ 0 0 24 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.880 113.3 50.7 -68.0 -35.8 2.2 1.4 -2.7 83 83 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.4 -2,-0.2 0.921 112.9 44.4 -67.6 -43.8 4.7 -0.1 -5.2 84 84 A Q H X S+ 0 0 0 -4,-2.4 4,-2.9 -76,-0.2 -2,-0.2 0.840 110.9 53.3 -72.0 -30.8 2.3 -2.8 -6.3 85 85 A K H X S+ 0 0 80 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.913 110.5 49.6 -65.4 -39.8 -0.6 -0.3 -6.5 86 86 A F H X S+ 0 0 14 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.924 113.1 45.5 -61.8 -46.5 1.7 1.8 -8.7 87 87 A M H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 43,-0.2 0.907 110.6 53.6 -64.5 -42.4 2.5 -1.3 -10.9 88 88 A A H 3< S+ 0 0 15 -4,-2.9 41,-0.3 1,-0.2 -1,-0.2 0.821 106.3 52.8 -63.4 -31.6 -1.2 -2.3 -11.1 89 89 A K H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.749 88.6 101.1 -75.9 -23.4 -2.2 1.2 -12.3 90 90 A Y << - 0 0 3 -4,-1.0 40,-0.3 -3,-0.6 39,-0.2 -0.382 57.1-160.9 -66.9 137.6 0.4 1.0 -15.1 91 91 A K + 0 0 166 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.018 63.3 55.5-111.4 29.2 -0.9 0.1 -18.5 92 92 A S S S- 0 0 58 39,-0.1 2,-0.1 1,-0.0 -31,-0.1 -0.801 98.6 -48.1-142.9-174.0 2.2 -1.1 -20.4 93 93 A K - 0 0 37 -2,-0.2 -31,-0.9 -33,-0.1 2,-0.4 -0.353 48.4-145.1 -67.5 138.2 4.9 -3.7 -20.1 94 94 A I E -de 62 132A 0 37,-2.5 39,-3.2 -33,-0.1 2,-0.7 -0.866 3.4-147.5-105.1 133.7 6.7 -3.9 -16.7 95 95 A Y E -de 63 133A 7 -33,-2.8 -31,-3.2 -2,-0.4 2,-0.6 -0.896 12.4-160.4-105.8 109.2 10.4 -4.8 -16.6 96 96 A Y E -de 64 134A 0 37,-2.6 39,-3.0 -2,-0.7 2,-0.9 -0.815 9.5-145.3 -95.0 116.8 11.3 -6.8 -13.5 97 97 A L E -de 65 135A 0 -33,-3.0 -31,-2.0 -2,-0.6 2,-1.1 -0.723 13.7-164.8 -84.8 105.9 15.0 -6.7 -12.5 98 98 A F E + e 0 136A 1 37,-2.4 39,-2.3 -2,-0.9 40,-0.4 -0.738 30.9 145.8 -96.8 86.8 15.6 -10.2 -11.1 99 99 A T + 0 0 27 -2,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.529 63.3 49.8 -98.1 -12.0 19.0 -9.9 -9.3 100 100 A D S > S- 0 0 17 -3,-0.2 3,-2.4 3,-0.1 -1,-0.2 -0.978 70.3-145.4-134.9 119.9 18.3 -12.3 -6.4 101 101 A I T 3 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.750 99.7 60.6 -53.9 -27.3 17.0 -15.8 -7.0 102 102 A R T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.1 -35,-0.0 0.592 97.5 63.4 -78.0 -9.3 15.0 -15.6 -3.7 103 103 A L < + 0 0 28 -3,-2.4 -36,-0.4 -35,-0.1 -1,-0.2 -0.310 63.2 160.5-116.7 52.7 12.9 -12.6 -5.0 104 104 A P - 0 0 32 0, 0.0 -37,-0.1 0, 0.0 44,-0.1 -0.273 54.1 -85.6 -67.5 157.5 10.9 -13.6 -8.0 105 105 A F + 0 0 3 -9,-0.1 2,-0.3 -39,-0.1 49,-0.1 -0.383 58.2 168.7 -62.6 141.2 7.9 -11.4 -8.9 106 106 A S - 0 0 38 -3,-0.1 2,-0.4 -2,-0.0 45,-0.1 -0.979 34.7-107.8-152.6 153.5 4.8 -12.4 -7.0 107 107 A Q - 0 0 30 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.695 14.9-161.3 -88.6 134.7 1.3 -10.8 -6.4 108 108 A S S > S+ 0 0 0 -2,-0.4 3,-1.4 18,-0.3 4,-0.4 0.814 79.3 76.8 -82.6 -31.5 0.4 -9.3 -3.0 109 109 A W G >> S+ 0 0 31 1,-0.3 4,-3.0 17,-0.3 3,-2.0 0.876 90.1 54.1 -47.7 -48.1 -3.3 -9.3 -3.5 110 110 A P G 34 S+ 0 0 76 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.838 114.9 42.9 -57.3 -29.2 -3.7 -13.1 -2.9 111 111 A N G <4 S+ 0 0 64 -3,-1.4 -2,-0.2 -4,-0.3 -40,-0.1 0.287 118.5 45.0 -98.5 7.1 -1.9 -12.5 0.4 112 112 A V T X4 S+ 0 0 0 -3,-2.0 3,-2.2 -4,-0.4 -3,-0.2 0.680 92.8 75.4-114.6 -38.4 -3.8 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64.5-157.2-143.8 137.0 -25.9 -2.3 70.0 414 62 B L E -mo 356 446C 0 31,-0.8 33,-2.7 -2,-0.3 2,-0.4 -0.970 11.5-170.2-119.0 117.1 -26.7 -0.9 66.5 415 63 B I E -mo 357 447C 0 -59,-3.3 -57,-2.0 -2,-0.5 2,-0.5 -0.900 3.9-164.1-107.5 134.2 -23.8 0.9 64.8 416 64 B V E -mo 358 448C 0 31,-3.1 33,-3.1 -2,-0.4 2,-0.4 -0.972 13.7-141.3-126.4 123.1 -24.5 2.8 61.6 417 65 B V E -mo 359 449C 1 -59,-2.9 -57,-2.1 -2,-0.5 -56,-0.2 -0.646 37.4-107.4 -78.6 130.6 -22.0 4.0 59.1 418 66 B N + 0 0 5 31,-2.0 2,-0.3 -2,-0.4 -57,-0.2 -0.143 48.6 161.6 -60.0 151.9 -22.9 7.4 57.7 419 67 B S - 0 0 8 36,-0.4 2,-0.1 -59,-0.1 -57,-0.0 -0.974 42.3 -97.6-165.6 157.7 -24.2 7.7 54.2 420 68 B S - 0 0 57 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.420 23.8-157.6 -74.6 156.5 -26.2 10.1 51.9 421 69 B I + 0 0 24 -2,-0.1 2,-0.3 38,-0.1 -1,-0.1 -0.015 39.4 143.2-126.0 29.0 -29.9 9.1 51.6 422 70 B N - 0 0 78 1,-0.1 2,-1.3 41,-0.0 10,-0.1 -0.533 47.2-141.6 -72.3 127.7 -30.4 10.9 48.3 423 71 B F > - 0 0 3 -2,-0.3 3,-2.1 3,-0.0 -1,-0.1 -0.707 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S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.896 111.1 48.8 -67.0 -38.7 13.8 19.0 46.8 665 313 B L H < S+ 0 0 3 -4,-2.1 7,-0.3 1,-0.2 -2,-0.2 0.864 111.2 49.5 -67.9 -37.4 12.6 15.4 47.4 666 314 B K H < S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.5 48.1 -69.3 -33.0 13.5 14.5 43.8 667 315 B H H < S+ 0 0 164 -4,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.853 114.0 44.8 -76.7 -36.5 16.9 16.0 44.2 668 316 B S X + 0 0 34 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.872 51.2 178.5-119.0 103.0 17.8 14.4 47.5 669 317 B D H > S+ 0 0 76 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.828 90.0 59.3 -65.8 -30.0 17.1 10.7 48.0 670 318 B V H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 106.5 45.2 -64.3 -44.2 18.7 11.1 51.4 671 319 B L H > S+ 0 0 15 2,-0.2 4,-2.7 -7,-0.2 5,-0.2 0.928 112.8 50.9 -64.4 -45.8 16.1 13.7 52.4 672 320 B R H X S+ 0 0 32 -4,-2.3 4,-2.3 -7,-0.3 -2,-0.2 0.934 112.8 45.2 -57.9 -49.1 13.2 11.7 51.0 673 321 B K H X S+ 0 0 121 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.873 111.7 53.0 -65.0 -36.6 14.3 8.6 52.9 674 322 B E H X S+ 0 0 85 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.941 111.1 45.9 -63.6 -46.7 14.8 10.6 56.1 675 323 B M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.886 111.2 52.1 -65.2 -37.2 11.3 12.0 55.9 676 324 B L H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.918 109.0 51.0 -64.1 -40.8 9.8 8.6 55.1 677 325 B S H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 110.1 50.7 -62.3 -39.6 11.6 7.2 58.2 678 326 B I H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.943 112.3 44.1 -64.6 -48.7 10.1 10.1 60.3 679 327 B Q H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.877 113.1 51.7 -67.0 -34.7 6.5 9.6 59.1 680 328 B H H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.898 109.8 50.3 -66.9 -39.0 6.8 5.8 59.5 681 329 B D H X S+ 0 0 78 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.926 110.2 49.0 -63.6 -45.0 8.1 6.2 63.1 682 330 B I H X S+ 0 0 54 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.897 110.8 51.4 -62.4 -40.0 5.3 8.6 64.0 683 331 B L H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.6 0.948 109.5 49.0 -63.0 -47.3 2.7 6.2 62.6 684 332 B N H 3X S+ 0 0 59 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.797 104.6 59.9 -63.5 -27.5 4.2 3.3 64.6 685 333 B K H 3< S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.865 108.1 44.7 -68.0 -34.8 4.1 5.4 67.7 686 334 B T H X< S+ 0 0 39 -4,-1.3 3,-1.4 -3,-0.6 -2,-0.2 0.853 109.1 56.2 -75.9 -36.0 0.3 5.7 67.3 687 335 B R H >< S+ 0 0 86 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.848 96.2 65.9 -63.6 -32.6 -0.0 2.0 66.6 688 336 B A T 3< S+ 0 0 75 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.676 96.8 56.9 -62.9 -17.3 1.7 1.3 69.9 689 337 B K T <> + 0 0 127 -3,-1.4 4,-1.6 -4,-0.2 -1,-0.3 -0.098 67.5 124.3-106.1 34.1 -1.3 2.8 71.6 690 338 B K H <> + 0 0 49 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.884 67.2 59.8 -58.9 -42.6 -3.8 0.5 70.0 691 339 B A H > S+ 0 0 59 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.899 105.2 46.9 -56.0 -45.3 -5.2 -0.7 73.3 692 340 B E H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 111.3 53.0 -65.8 -36.5 -6.3 2.8 74.4 693 341 B W H X S+ 0 0 16 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.941 110.8 45.9 -63.4 -47.0 -7.9 3.3 71.0 694 342 B Q H X S+ 0 0 35 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.908 112.7 50.8 -62.7 -41.6 -9.9 0.1 71.3 695 343 B D H X S+ 0 0 99 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.902 109.6 51.0 -62.1 -41.0 -10.9 1.0 74.9 696 344 B A H X S+ 0 0 40 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.848 108.8 50.6 -66.2 -36.4 -12.0 4.4 73.8 697 345 B F H X S+ 0 0 6 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.928 110.0 50.2 -67.1 -43.3 -14.2 2.9 71.0 698 346 B K H <>S+ 0 0 57 -4,-2.3 5,-2.9 1,-0.2 3,-0.2 0.903 110.2 50.2 -60.6 -39.8 -15.8 0.5 73.4 699 347 B K H ><5S+ 0 0 140 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.891 105.8 57.6 -64.7 -38.4 -16.5 3.5 75.8 700 348 B A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.3 45.1 -62.3 -33.3 -18.0 5.3 72.8 701 349 B I T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.048 123.9-104.2-100.1 27.0 -20.5 2.6 72.2 702 350 B D T < 5 0 0 65 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.848 360.0 360.0 57.0 44.1 -21.3 2.3 75.9 703 351 B L < 0 0 96 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.0 -0.668 360.0 360.0-114.9 360.0 -19.3 -0.8 76.7