==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 13-JUL-04 1U0C . COMPND 2 MOLECULE: 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.SUSSMAN,M.CHADSEY,S.FAUCE,A.ENGEL,A.BRUETT,R.MONNAT,B.L.ST . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 14.5 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 0.7 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 1 0 0 0 1 3 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 2 0 0 2 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 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 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 2 A N 0 0 138 0, 0.0 2,-0.2 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 109.8 -16.3 30.8 37.2 2 3 A T - 0 0 72 59,-0.1 2,-0.4 1,-0.0 59,-0.0 -0.517 360.0-138.0 -81.0 140.9 -16.7 34.4 36.2 3 4 A K - 0 0 160 -2,-0.2 2,-0.3 86,-0.0 83,-0.1 -0.821 20.7-140.7 -97.4 131.3 -18.3 35.4 32.8 4 5 A Y - 0 0 28 -2,-0.4 2,-0.5 1,-0.1 57,-0.1 -0.660 18.4-106.4 -99.8 151.1 -16.6 38.3 31.0 5 6 A N > - 0 0 97 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.589 26.4-139.3 -72.6 119.9 -18.1 41.2 29.0 6 7 A K H > S+ 0 0 102 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.767 102.3 51.5 -51.3 -35.0 -17.5 40.5 25.3 7 8 A E H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 109.6 50.3 -70.5 -42.1 -16.6 44.1 24.5 8 9 A F H > S+ 0 0 17 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.889 111.8 49.9 -57.3 -41.6 -14.1 44.1 27.3 9 10 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.816 109.7 49.4 -68.9 -34.6 -12.7 40.9 25.8 10 11 A L H X S+ 0 0 9 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.945 114.9 43.3 -70.7 -49.2 -12.4 42.3 22.3 11 12 A Y H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.962 116.4 47.8 -60.6 -51.8 -10.6 45.4 23.5 12 13 A L H X S+ 0 0 2 -4,-2.6 4,-3.4 -5,-0.2 5,-0.2 0.881 106.5 57.2 -56.5 -42.3 -8.4 43.4 25.8 13 14 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 82,-0.3 0.924 109.0 47.1 -57.0 -42.4 -7.6 40.9 23.1 14 15 A G H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.947 113.4 47.5 -63.7 -45.0 -6.3 43.7 21.0 15 16 A F H >X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.7 0.886 111.9 50.6 -62.4 -40.6 -4.3 45.2 23.9 16 17 A V H 3X5S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.3 -1,-0.2 0.937 103.3 57.2 -63.0 -49.1 -2.8 41.7 24.7 17 18 A D H 3<5S+ 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.741 118.0 39.0 -56.0 -17.7 -1.8 41.1 21.2 18 19 A G H <<5S+ 0 0 14 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.906 137.1 4.1 -95.0 -71.5 0.2 44.4 21.6 19 20 A D H <5S+ 0 0 41 -4,-2.4 26,-1.7 2,-0.0 -3,-0.2 0.412 108.6 105.2 -98.1 2.6 1.7 44.7 25.1 20 21 A G E << -A 44 0A 8 -4,-1.9 2,-0.4 -5,-0.7 24,-0.3 -0.313 50.1-158.3 -87.6 166.2 0.7 41.3 26.3 21 22 A S E -A 43 0A 31 22,-2.8 22,-2.5 -2,-0.1 2,-0.6 -0.960 7.5-165.3-146.7 126.5 2.6 38.1 26.9 22 23 A I E +A 42 0A 1 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.946 28.5 178.7-111.9 113.0 1.3 34.5 27.1 23 24 A I E -A 41 0A 33 18,-3.0 18,-2.5 -2,-0.6 2,-0.4 -0.922 25.9-171.6-125.6 141.0 4.1 32.4 28.6 24 25 A A E -A 40 0A 6 -2,-0.4 2,-0.3 104,-0.2 16,-0.2 -0.993 19.4-170.5-124.9 132.4 4.7 28.8 29.6 25 26 A Q E -A 39 0A 78 14,-2.9 14,-2.5 -2,-0.4 2,-0.8 -0.941 25.5-146.5-127.4 150.1 7.9 27.9 31.5 26 27 A I E -A 38 0A 7 -2,-0.3 12,-0.2 116,-0.3 116,-0.2 -0.875 28.4-167.4-111.3 94.5 9.7 24.7 32.6 27 28 A K E -A 37 0A 80 10,-2.3 10,-3.4 -2,-0.8 -2,-0.0 -0.736 20.1-126.9 -88.3 116.7 11.2 25.8 35.9 28 29 A P E +A 36 0A 85 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.394 40.3 163.8 -61.6 140.7 13.8 23.4 37.4 29 30 A N > - 0 0 64 6,-1.8 3,-1.5 3,-0.1 2,-0.1 -0.776 34.5-148.3-163.9 111.8 12.8 22.6 40.9 30 31 A Q T 3 S+ 0 0 144 1,-0.2 6,-0.0 -2,-0.2 5,-0.0 0.161 91.0 64.8 -72.8 20.9 14.2 19.7 43.0 31 32 A S T 3 S+ 0 0 103 -2,-0.1 -1,-0.2 3,-0.0 2,-0.2 0.420 82.9 90.0-118.8 -2.7 11.1 19.1 45.0 32 33 A C S X S- 0 0 36 -3,-1.5 3,-1.7 1,-0.1 5,-0.1 -0.575 87.7-111.3 -93.0 157.4 8.8 18.0 42.1 33 34 A K T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.881 120.9 30.1 -54.0 -41.0 8.4 14.4 40.9 34 35 A F T 3 S- 0 0 19 2,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.061 114.2-111.5-108.6 24.0 10.2 15.2 37.6 35 36 A K S < S+ 0 0 83 -3,-1.7 -6,-1.8 -7,-0.1 2,-0.3 0.719 89.9 89.0 54.8 27.7 12.4 17.9 39.0 36 37 A H E -A 28 0A 24 -8,-0.3 2,-0.4 -6,-0.0 -2,-0.3 -0.956 64.9-143.3-155.1 131.4 10.6 20.6 37.1 37 38 A Q E -A 27 0A 74 -10,-3.4 -10,-2.3 -2,-0.3 2,-0.5 -0.797 17.8-136.3 -96.1 132.8 7.6 22.8 37.8 38 39 A L E -A 26 0A 29 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.790 28.8-170.9 -87.8 128.5 5.3 23.6 34.9 39 40 A S E -A 25 0A 9 -14,-2.5 -14,-2.9 -2,-0.5 2,-0.4 -0.972 12.1-164.5-126.9 138.0 4.4 27.3 35.1 40 41 A L E -A 24 0A 8 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.922 9.4-178.5-120.1 143.9 1.9 29.3 33.2 41 42 A T E -A 23 0A 15 -18,-2.5 -18,-3.0 -2,-0.4 2,-0.5 -0.973 17.6-171.5-147.9 133.4 1.6 33.1 32.9 42 43 A F E +AB 22 77A 1 35,-2.3 35,-1.4 -2,-0.4 2,-0.3 -0.987 30.5 165.9-116.3 126.1 -0.6 35.6 31.3 43 44 A Q E -AB 21 76A 35 -22,-2.5 -22,-2.8 -2,-0.5 2,-0.4 -0.962 31.9-159.9-144.4 160.6 0.7 39.2 31.5 44 45 A V E -AB 20 75A 0 31,-1.5 31,-2.7 -2,-0.3 2,-0.4 -0.990 17.6-156.0-139.0 126.6 0.5 42.8 30.3 45 46 A T E + B 0 74A 31 -26,-1.7 2,-0.3 -2,-0.4 29,-0.2 -0.851 19.5 162.8-106.8 140.7 3.4 45.2 30.7 46 47 A E E - B 0 73A 11 27,-2.4 27,-2.9 -2,-0.4 4,-0.2 -0.987 48.3 -82.9-155.7 145.9 3.0 48.9 30.7 47 48 A K E > - B 0 72A 81 -2,-0.3 3,-1.8 25,-0.2 25,-0.3 -0.164 44.7-120.2 -47.9 138.3 5.1 51.9 31.8 48 49 A T G > S+ 0 0 33 23,-2.1 3,-2.4 1,-0.3 4,-0.2 0.845 111.5 68.0 -54.8 -35.0 4.6 52.3 35.6 49 50 A Q G 3 S+ 0 0 128 22,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.329 106.0 45.5 -68.1 14.0 3.2 55.9 35.1 50 51 A R G X S+ 0 0 44 -3,-1.8 3,-1.8 -4,-0.2 4,-0.5 0.150 71.8 119.9-140.1 16.3 0.3 54.0 33.5 51 52 A R T <> + 0 0 70 -3,-2.4 4,-2.9 1,-0.3 3,-0.3 0.620 58.7 79.7 -62.5 -13.0 -0.3 51.2 36.0 52 53 A W H 3> S+ 0 0 128 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.883 89.5 56.4 -62.5 -33.4 -3.8 52.4 36.6 53 54 A F H <> S+ 0 0 2 -3,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.847 109.8 44.7 -65.4 -31.6 -4.7 50.6 33.4 54 55 A L H > S+ 0 0 0 -4,-0.5 4,-1.6 -3,-0.3 -2,-0.2 0.862 111.0 52.3 -79.2 -37.1 -3.2 47.5 35.0 55 56 A D H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 3,-0.5 0.946 107.2 54.4 -60.6 -46.5 -5.0 48.1 38.4 56 57 A K H X S+ 0 0 68 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.924 105.7 53.0 -50.6 -48.4 -8.2 48.4 36.4 57 58 A L H X S+ 0 0 2 -4,-1.4 4,-2.7 1,-0.2 5,-0.4 0.838 103.3 55.9 -60.0 -34.8 -7.5 45.0 34.8 58 59 A V H X S+ 0 0 45 -4,-1.6 4,-1.2 -3,-0.5 -1,-0.2 0.929 112.1 44.1 -61.8 -43.1 -7.1 43.5 38.3 59 60 A D H < S+ 0 0 134 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.858 117.1 44.3 -69.3 -39.1 -10.6 44.7 39.1 60 61 A E H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.898 116.7 42.5 -76.4 -42.3 -12.2 43.7 35.8 61 62 A I H < S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.763 98.6-142.2 -76.1 -22.6 -10.7 40.2 35.5 62 63 A G S < S+ 0 0 62 -4,-1.2 2,-0.3 -5,-0.4 -3,-0.1 0.258 72.2 56.4 83.0 -12.3 -11.4 39.7 39.2 63 64 A V S S+ 0 0 28 -6,-0.3 -2,-0.2 19,-0.1 -1,-0.1 -0.912 74.8 58.0-143.1 167.1 -8.2 37.8 39.9 64 65 A G - 0 0 25 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.212 60.6-118.2 98.0 168.7 -4.5 38.4 39.4 65 66 A Y E -C 76 0A 135 11,-2.0 11,-3.2 -2,-0.1 2,-0.5 -0.949 11.3-116.9-146.7 165.6 -2.1 41.2 40.7 66 67 A V E -C 75 0A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.905 25.1-167.6-109.3 130.9 0.2 44.0 39.6 67 68 A R E -C 74 0A 111 7,-2.5 7,-2.6 -2,-0.5 2,-0.4 -0.871 12.8-138.2-116.7 152.1 3.9 44.1 40.2 68 69 A D E +C 73 0A 90 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.898 20.8 173.0-108.8 133.9 6.4 47.0 39.9 69 70 A R - 0 0 116 3,-2.5 2,-0.7 -2,-0.4 3,-0.4 -0.384 60.5 -82.6-135.4 55.5 9.8 46.5 38.4 70 71 A G S S+ 0 0 64 1,-0.2 -1,-0.1 -22,-0.0 -22,-0.0 -0.749 112.0 10.7 91.5-116.4 11.2 50.0 38.2 71 72 A S S S+ 0 0 103 -2,-0.7 -23,-2.1 -3,-0.1 -22,-0.4 0.514 129.3 46.1 -79.4 -5.7 10.1 52.1 35.2 72 73 A V E -B 47 0A 26 -3,-0.4 -3,-2.5 -25,-0.3 2,-0.3 -0.937 65.9-150.9-138.2 162.2 7.5 49.5 34.2 73 74 A S E -BC 46 68A 0 -27,-2.9 -27,-2.4 -2,-0.3 2,-0.4 -0.898 6.2-147.9-130.2 158.9 4.7 47.4 35.7 74 75 A D E -BC 45 67A 0 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.5 -0.982 10.6-147.6-132.2 135.7 3.1 44.1 35.0 75 76 A Y E -BC 44 66A 0 -31,-2.7 -31,-1.5 -2,-0.4 2,-0.4 -0.854 34.6-165.9 -90.3 132.2 -0.4 42.7 35.5 76 77 A I E +BC 43 65A 18 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.3 -0.950 21.7 176.3-127.6 145.5 0.2 39.0 36.2 77 78 A L E +B 42 0A 3 -35,-1.4 -35,-2.3 -2,-0.4 -2,-0.0 -0.901 19.7 142.7-146.9 115.1 -2.1 36.0 36.3 78 79 A S + 0 0 48 -2,-0.3 -38,-0.3 -37,-0.2 -1,-0.1 0.562 28.9 121.1-127.5 -18.2 -0.8 32.5 36.9 79 80 A E > - 0 0 127 1,-0.1 4,-2.3 4,-0.1 5,-0.2 -0.334 62.0-134.5 -53.3 123.9 -3.4 30.7 39.0 80 81 A I H > S+ 0 0 66 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.882 94.7 44.1 -46.6 -57.7 -4.4 27.7 36.9 81 82 A K H > S+ 0 0 132 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.980 117.8 40.4 -59.3 -63.6 -8.2 27.8 37.2 82 83 A P H > S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.868 116.6 54.8 -56.1 -33.5 -8.8 31.5 36.7 83 84 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.989 109.3 43.1 -63.1 -58.3 -6.2 31.4 34.0 84 85 A H H X S+ 0 0 45 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.852 116.4 50.7 -53.6 -37.5 -7.8 28.6 32.0 85 86 A N H X S+ 0 0 16 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.918 113.2 44.2 -67.2 -44.6 -11.2 30.4 32.6 86 87 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.893 114.4 48.1 -69.6 -40.7 -9.9 33.7 31.4 87 88 A L H X S+ 0 0 1 -4,-3.2 4,-3.4 -5,-0.2 -1,-0.2 0.876 104.2 60.2 -69.8 -34.8 -8.0 32.4 28.4 88 89 A T H < S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.911 113.6 37.7 -58.3 -42.0 -11.0 30.3 27.2 89 90 A Q H < S+ 0 0 42 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.808 121.9 43.3 -80.0 -31.2 -13.1 33.5 26.9 90 91 A L H >X S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.1 4,-0.7 0.847 96.8 76.2 -81.2 -38.4 -10.3 35.7 25.6 91 92 A Q G >< S+ 0 0 43 -4,-3.4 3,-1.3 1,-0.3 -1,-0.1 0.832 83.0 63.5 -44.0 -47.5 -8.8 33.3 23.1 92 93 A P G 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.709 107.8 43.8 -57.5 -15.9 -11.5 33.6 20.4 93 94 A F G <4 S+ 0 0 46 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.554 85.9 106.1-106.1 -8.2 -10.5 37.3 19.9 94 95 A L << + 0 0 4 -3,-1.3 -80,-0.1 -4,-0.7 -81,-0.1 -0.449 38.4 176.6 -70.7 141.6 -6.7 37.1 19.9 95 96 A K S S+ 0 0 74 -82,-0.3 -1,-0.2 -2,-0.1 4,-0.1 0.696 79.4 28.1-114.0 -37.6 -5.2 37.4 16.4 96 97 A L S S+ 0 0 28 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.776 130.7 32.1 -96.0 -30.1 -1.5 37.3 17.2 97 98 A K S > S+ 0 0 36 -84,-0.1 4,-2.0 1,-0.1 5,-0.1 0.098 80.9 110.8-117.1 23.9 -1.3 35.2 20.3 98 99 A Q H > S+ 0 0 70 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.940 77.8 52.0 -62.0 -48.1 -4.2 32.8 19.8 99 100 A K H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 111.4 44.6 -58.1 -49.7 -2.0 29.8 19.3 100 101 A Q H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 112.5 54.9 -64.0 -32.3 0.0 30.3 22.4 101 102 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.973 111.3 43.7 -59.6 -53.0 -3.3 31.0 24.2 102 103 A N H X S+ 0 0 68 -4,-3.2 4,-2.3 1,-0.3 -1,-0.2 0.791 108.9 56.4 -62.9 -32.1 -4.7 27.7 23.0 103 104 A L H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.3 0.858 106.4 52.4 -69.5 -31.9 -1.5 25.8 23.8 104 105 A V H X S+ 0 0 1 -4,-1.8 4,-3.1 -3,-0.4 5,-0.3 0.930 108.4 48.1 -69.2 -45.6 -1.8 27.1 27.4 105 106 A L H X S+ 0 0 10 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.945 113.1 51.0 -58.0 -44.0 -5.4 25.8 27.7 106 107 A K H X S+ 0 0 81 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.867 112.5 44.7 -61.5 -39.0 -4.2 22.5 26.3 107 108 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 4,-0.5 0.934 111.1 51.7 -70.6 -48.6 -1.3 22.3 28.8 108 109 A I H >< S+ 0 0 12 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.888 109.2 53.1 -56.4 -37.1 -3.4 23.3 31.8 109 110 A E H 3< S+ 0 0 110 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.3 0.736 108.9 48.0 -71.9 -22.4 -5.8 20.6 30.8 110 111 A Q T S+ 0 0 42 -3,-1.0 4,-1.2 -4,-0.5 -1,-0.1 0.947 80.4 41.2 -52.7 -62.4 -1.6 18.8 34.0 112 113 A P H >4 S+ 0 0 63 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.943 116.2 51.3 -53.6 -49.6 -2.8 15.8 36.1 113 114 A S H >4 S+ 0 0 37 -4,-0.3 3,-2.7 1,-0.3 4,-0.3 0.966 111.7 45.5 -48.6 -61.7 -2.2 13.4 33.3 114 115 A A H >< S+ 0 0 2 -4,-3.0 3,-0.6 1,-0.3 7,-0.4 0.678 104.1 67.5 -57.0 -16.7 1.4 14.6 32.9 115 116 A K T << S+ 0 0 143 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.406 101.0 47.3 -85.5 3.1 1.6 14.5 36.7 116 117 A E T < S+ 0 0 153 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.315 112.3 40.2-125.0 6.1 1.4 10.7 36.6 117 118 A S <> - 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0 0 113 1,-0.2 4,-2.6 4,-0.1 5,-0.3 -0.349 59.4-138.7 -53.7 112.8 -4.2 61.2 4.6 233 381 B I H > S+ 0 0 64 -2,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.781 92.9 41.0 -45.1 -43.3 -6.0 64.0 6.3 234 382 B K H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.968 118.8 41.1 -78.6 -52.0 -9.6 63.0 5.3 235 383 B P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.845 114.2 57.7 -62.8 -27.9 -9.5 59.2 5.6 236 384 B L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.870 107.6 44.8 -67.6 -37.7 -7.5 59.8 8.8 237 385 B H H X S+ 0 0 34 -4,-1.2 4,-2.7 -3,-0.4 5,-0.2 0.911 112.2 52.5 -71.5 -44.1 -10.3 61.9 10.3 238 386 B N H X S+ 0 0 16 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.924 115.2 42.8 -57.0 -44.5 -12.9 59.4 9.1 239 387 B F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-0.3 0.941 115.3 45.1 -69.9 -50.4 -10.9 56.6 10.9 240 388 B L H X S+ 0 0 1 -4,-2.7 4,-4.0 1,-0.2 3,-0.3 0.922 106.3 60.5 -62.2 -41.9 -10.1 58.3 14.1 241 389 B T H < S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.879 112.7 39.9 -53.0 -38.3 -13.6 59.7 14.5 242 390 B Q H < S+ 0 0 42 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.740 121.1 41.7 -84.0 -22.4 -14.7 56.1 14.6 243 391 B L H >X S+ 0 0 0 -4,-1.7 3,-3.2 -3,-0.3 4,-0.7 0.866 95.2 80.6 -88.9 -40.5 -11.9 54.7 16.7 244 392 B Q G >< S+ 0 0 40 -4,-4.0 3,-0.7 1,-0.3 -1,-0.1 0.753 86.2 56.4 -35.6 -44.5 -11.7 57.5 19.1 245 393 B P G 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.623 108.6 47.5 -74.8 -3.2 -14.6 56.3 21.3 246 394 B F G <4 S+ 0 0 44 -3,-3.2 -2,-0.2 -4,-0.1 2,-0.1 0.510 88.8 101.9-109.3 -7.2 -13.0 52.9 21.9 247 395 B L << + 0 0 5 -3,-0.7 -80,-0.1 -4,-0.7 -81,-0.1 -0.426 38.9 175.9 -77.1 151.5 -9.5 54.1 22.9 248 396 B K S S+ 0 0 65 -82,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.666 78.3 32.5-124.0 -40.4 -8.3 54.2 26.5 249 397 B L S S+ 0 0 25 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.710 132.6 28.9 -93.6 -18.6 -4.6 55.2 26.6 250 398 B K S > S+ 0 0 36 -84,-0.1 4,-1.8 2,-0.1 -1,-0.1 0.083 78.8 113.3-129.8 25.9 -4.7 57.4 23.5 251 399 B Q H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 81.1 51.6 -63.3 -43.0 -8.3 58.8 23.3 252 400 B K H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.952 109.1 46.6 -61.1 -51.9 -7.0 62.3 24.0 253 401 B Q H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 111.1 55.8 -59.7 -34.1 -4.3 62.5 21.4 254 402 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.945 110.4 42.9 -62.0 -46.3 -6.8 61.1 18.9 255 403 B N H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.771 111.4 55.4 -73.1 -22.4 -9.3 63.9 19.6 256 404 B L H X S+ 0 0 18 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.882 107.7 50.2 -74.3 -36.3 -6.5 66.4 19.5 257 405 B V H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.949 111.2 46.9 -65.9 -46.6 -5.6 65.1 16.1 258 406 B L H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.977 111.9 51.7 -55.6 -55.8 -9.2 65.4 14.8 259 407 B K H X S+ 0 0 82 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.868 108.5 52.0 -47.6 -44.3 -9.5 68.9 16.3 260 408 B I H < S+ 0 0 2 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.926 109.2 49.4 -62.2 -43.4 -6.3 69.8 14.5 261 409 B I H >< S+ 0 0 8 -4,-2.3 3,-1.6 -3,-0.3 -2,-0.2 0.907 109.5 49.7 -62.9 -43.9 -7.6 68.6 11.2 262 410 B E H 3< S+ 0 0 103 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.865 112.2 49.7 -64.3 -33.9 -10.9 70.5 11.5 263 411 B Q T 3X S+ 0 0 68 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.3 0.142 85.9 99.9 -91.5 21.6 -8.9 73.6 12.3 264 412 B L H X> S+ 0 0 29 -3,-1.6 4,-0.8 2,-0.2 3,-0.6 0.969 77.4 45.9 -72.9 -55.7 -6.6 73.2 9.4 265 413 B P H >> S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.921 115.1 47.8 -55.2 -45.6 -8.0 75.6 6.8 266 414 B S H 3> S+ 0 0 41 -4,-0.3 4,-0.7 1,-0.3 3,-0.4 0.744 103.3 63.5 -68.2 -21.0 -8.4 78.4 9.3 267 415 B A H << S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.6 -3,-0.1 0.701 94.3 63.6 -74.0 -17.9 -4.8 77.7 10.4 268 416 B K H << S+ 0 0 119 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.802 106.7 41.7 -74.5 -30.9 -3.8 78.7 6.9 269 417 B E H < S+ 0 0 132 -4,-0.6 -2,-0.1 -3,-0.4 -3,-0.1 0.947 105.6 47.9 -82.0 -85.5 -5.0 82.3 7.3 270 418 B S X - 0 0 69 -4,-0.7 4,-1.1 1,-0.2 3,-0.1 -0.394 66.0-150.2 -61.8 125.0 -4.2 83.9 10.7 271 419 B P H > S+ 0 0 66 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.695 102.0 53.3 -68.3 -15.7 -0.6 83.3 11.6 272 420 B D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.790 102.1 54.4 -86.8 -30.6 -1.8 83.4 15.2 273 421 B K H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.739 105.2 58.1 -72.5 -20.3 -4.5 80.7 14.6 274 422 B F H X S+ 0 0 13 -4,-1.1 4,-2.6 2,-0.2 5,-0.3 0.965 103.7 49.6 -70.6 -52.9 -1.5 78.7 13.3 275 423 B L H X S+ 0 0 32 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.929 107.8 54.4 -48.5 -53.6 0.3 79.0 16.7 276 424 B E H >X S+ 0 0 93 -4,-2.0 4,-1.3 1,-0.3 3,-0.6 0.902 110.9 45.1 -49.5 -46.9 -2.9 77.9 18.5 277 425 B V H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.3 -1,-0.3 0.851 107.3 57.8 -67.7 -34.0 -3.0 74.7 16.3 278 426 B C H 3X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 19,-0.4 0.708 101.9 58.5 -67.5 -17.0 0.7 74.2 16.9 279 427 B T H S+ 0 0 13 -4,-2.2 5,-0.8 1,-0.2 -1,-0.2 0.879 111.4 57.6 -57.9 -32.5 3.6 65.0 22.2 286 434 B A H <5S+ 0 0 79 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.933 106.9 45.6 -62.6 -47.1 3.1 65.8 25.9 287 435 B L H <5S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.876 107.2 68.4 -66.0 -37.9 0.6 63.0 26.3 288 436 B N T <5S- 0 0 25 -4,-2.3 2,-1.4 -5,-0.1 -114,-0.0 -0.043 106.1 -93.3 -71.8 179.0 2.7 60.4 24.4 289 437 B D T 5 + 0 0 53 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.462 64.4 177.9 -91.1 62.1 6.0 59.0 25.7 290 438 B S < + 0 0 59 -2,-1.4 -5,-0.0 -5,-0.8 0, 0.0 -0.460 21.3 138.4 -71.6 133.8 7.7 61.8 23.8 291 439 B K + 0 0 168 -2,-0.2 -1,-0.2 0, 0.0 -6,-0.0 0.535 63.1 50.9-139.7 -50.4 11.5 62.1 24.0 292 440 B T S S+ 0 0 125 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 0.063 75.6 140.4 -87.1 29.2 13.4 62.8 20.7 293 441 B R + 0 0 60 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.567 15.0 158.7 -77.2 127.2 11.1 65.8 19.9 294 442 B K + 0 0 170 -2,-0.4 2,-1.0 1,-0.2 -1,-0.1 0.758 54.9 63.3-116.7 -38.8 12.9 68.8 18.4 295 443 B T + 0 0 38 -116,-0.1 -116,-0.6 3,-0.1 -1,-0.2 -0.735 64.6 165.1 -97.9 97.1 10.4 71.1 16.5 296 444 B T > - 0 0 34 -2,-1.0 4,-1.0 -3,-0.1 3,-0.3 -0.472 55.9 -98.9-103.2 175.9 7.8 72.5 18.8 297 445 B S T 4 S+ 0 0 8 -19,-0.4 4,-0.5 1,-0.2 3,-0.4 0.836 122.5 65.6 -61.0 -28.8 5.2 75.3 18.6 298 446 B E T >4 S+ 0 0 110 1,-0.2 3,-2.6 2,-0.2 4,-0.4 0.951 97.3 50.2 -56.9 -52.3 7.8 77.3 20.5 299 447 B T G >4 S+ 0 0 53 -3,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.767 100.2 65.4 -60.0 -24.2 10.3 77.1 17.6 300 448 B V G >< S+ 0 0 0 -4,-1.0 3,-0.6 -3,-0.4 -1,-0.3 0.689 81.2 80.1 -70.2 -16.2 7.5 78.3 15.4 301 449 B R G < S+ 0 0 112 -3,-2.6 2,-1.2 -4,-0.5 3,-0.4 0.847 73.8 76.0 -57.5 -32.2 7.8 81.5 17.5 302 450 B A G < + 0 0 79 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.1 0.035 66.2 95.7 -68.4 30.7 10.7 82.2 15.2 303 451 B V < + 0 0 42 -2,-1.2 2,-0.7 -3,-0.6 -1,-0.3 -0.078 58.3 108.1-107.2 23.8 8.0 83.1 12.7 304 452 B L 0 0 125 -3,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.918 360.0 360.0-109.0 106.6 8.5 86.6 13.9 305 453 B D 0 0 200 -2,-0.7 -1,-0.1 0, 0.0 -2,-0.1 0.306 360.0 360.0-150.9 360.0 10.3 88.7 11.2