==== 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/INHIBITOR 18-APR-06 2CKE . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,M.WILMANNS . 1201 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 6 0.5 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 0.2 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 . 88 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 9 7 5 0 2 5 6 1 0 3 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 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 . 8 4 4 0 6 3 7 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 . 4 0 4 0 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 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 0 204 0, 0.0 65,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.3 -4.2 -24.9 12.5 2 2 A E - 0 0 116 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.197 360.0-129.4 -54.3 135.7 -0.6 -24.2 13.6 3 3 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 79,-0.2 -0.599 18.7-109.4 -91.3 152.4 -0.3 -23.2 17.3 4 4 A F - 0 0 26 -2,-0.2 79,-0.2 1,-0.1 2,-0.2 -0.577 37.4-106.2 -78.9 139.5 1.4 -20.2 18.7 5 5 A K B -a 83 0A 67 77,-2.5 79,-1.9 -2,-0.3 4,-0.1 -0.450 25.4-159.2 -67.0 133.2 4.7 -20.8 20.6 6 6 A Q + 0 0 165 77,-0.2 -1,-0.1 -2,-0.2 77,-0.1 0.484 55.4 107.2 -97.2 -5.3 4.1 -20.3 24.3 7 7 A Q S S- 0 0 99 1,-0.1 77,-0.5 78,-0.1 2,-0.5 -0.185 85.6 -88.8 -68.0 166.2 7.8 -19.7 25.3 8 8 A K > - 0 0 107 1,-0.1 3,-1.6 75,-0.1 4,-0.4 -0.679 30.7-142.2 -79.8 125.9 9.0 -16.3 26.2 9 9 A V G >> S+ 0 0 8 -2,-0.5 4,-2.5 1,-0.3 3,-1.7 0.859 99.0 60.9 -59.7 -36.4 10.2 -14.5 23.1 10 10 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.664 94.7 63.0 -66.9 -18.6 13.1 -12.9 25.0 11 11 A D G <4 S+ 0 0 106 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.634 118.0 27.9 -76.3 -16.0 14.5 -16.4 25.7 12 12 A F T <4 S+ 0 0 83 -3,-1.7 21,-3.1 -4,-0.4 22,-0.4 0.614 122.4 47.8-116.0 -23.5 14.9 -16.9 22.0 13 13 A Y E < -B 32 0A 2 -4,-2.5 2,-0.7 19,-0.3 19,-0.2 -0.917 67.9-133.4-122.2 147.0 15.4 -13.3 20.6 14 14 A D E -B 31 0A 85 17,-2.7 17,-1.1 -2,-0.3 2,-0.3 -0.910 32.1-146.6 -89.1 113.4 17.5 -10.3 21.5 15 15 A I E +B 30 0A 62 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.674 28.3 164.1 -84.4 139.5 15.0 -7.4 21.4 16 16 A G E - 0 0 46 13,-3.1 14,-0.1 -2,-0.3 -1,-0.1 -0.173 35.2 -0.8-129.1-141.5 16.4 -4.1 20.2 17 17 A E E - 0 0 122 11,-0.2 12,-3.1 1,-0.1 2,-0.4 -0.108 68.9-106.2 -61.6 148.6 15.4 -0.7 18.9 18 18 A E E -B 28 0A 115 10,-0.2 10,-0.2 1,-0.2 -1,-0.1 -0.635 30.9-175.8 -73.9 125.3 11.8 0.4 18.4 19 19 A L E - 0 0 74 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.862 61.4 -37.1 -88.3 -43.5 10.9 0.5 14.7 20 20 A G E -B 27 0A 29 7,-1.7 7,-3.0 2,-0.0 -1,-0.4 -0.979 49.2-154.6-169.3 172.9 7.4 1.8 15.0 21 21 A S + 0 0 84 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.768 11.5 170.4-142.2-174.4 4.2 1.8 17.0 22 22 A G > - 0 0 44 3,-0.5 2,-2.1 -2,-0.2 3,-0.6 0.037 58.6 -50.3 152.7 98.7 0.5 2.5 16.4 23 23 A Q T 3 S+ 0 0 189 1,-0.2 32,-0.1 31,-0.0 3,-0.1 -0.421 128.1 2.6 73.3 -76.4 -2.7 2.0 18.5 24 24 A F T 3 S+ 0 0 76 -2,-2.1 21,-2.3 1,-0.1 2,-0.3 0.171 120.7 64.7-132.4 16.0 -2.5 -1.6 19.6 25 25 A A E < - C 0 44A 24 -3,-0.6 -3,-0.5 19,-0.2 2,-0.5 -0.989 51.0-165.6-147.3 132.5 0.9 -2.8 18.3 26 26 A I E - C 0 43A 51 17,-1.8 17,-2.9 -2,-0.3 2,-0.6 -0.982 15.6-151.1-115.9 128.1 4.5 -1.9 18.9 27 27 A V E -BC 20 42A 37 -7,-3.0 -8,-2.7 -2,-0.5 -7,-1.7 -0.889 16.6-176.1-105.7 113.0 7.1 -3.2 16.4 28 28 A K E -BC 18 41A 69 13,-2.8 13,-4.0 -2,-0.6 2,-0.4 -0.831 28.8-114.2-110.6 146.6 10.6 -3.8 17.8 29 29 A K E + C 0 40A 56 -12,-3.1 -13,-3.1 -2,-0.3 2,-0.3 -0.635 45.3 175.9 -78.8 130.6 13.8 -4.9 15.9 30 30 A C E -BC 15 39A 4 9,-2.5 9,-2.7 -2,-0.4 2,-0.3 -0.815 26.3-150.9-134.9 170.3 14.9 -8.4 17.0 31 31 A R E -BC 14 38A 96 -17,-1.1 -17,-2.7 -2,-0.3 2,-0.3 -0.969 24.8-124.0-145.4 126.6 17.5 -11.1 16.3 32 32 A E E > -B 13 0A 20 5,-1.9 4,-2.1 -2,-0.3 -19,-0.3 -0.547 17.0-146.1 -71.3 130.6 17.0 -14.9 16.8 33 33 A K T 4 S+ 0 0 104 -21,-3.1 -1,-0.1 -2,-0.3 -20,-0.1 0.856 93.0 50.4 -69.2 -36.2 19.8 -16.1 19.1 34 34 A S T 4 S+ 0 0 95 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.923 125.3 23.0 -70.6 -46.9 20.1 -19.6 17.4 35 35 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.732 90.4-138.3 -93.3 -27.5 20.4 -18.4 13.8 36 36 A G < + 0 0 35 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.477 55.7 137.9 80.8 3.7 21.7 -14.9 14.4 37 37 A L - 0 0 104 -5,-0.1 -5,-1.9 1,-0.1 -1,-0.3 -0.598 52.2-119.3 -88.5 145.0 19.4 -13.6 11.6 38 38 A E E +C 31 0A 84 -2,-0.2 57,-0.5 -7,-0.2 -7,-0.3 -0.522 37.1 160.6 -89.5 147.2 17.5 -10.3 12.1 39 39 A Y E -C 30 0A 38 -9,-2.7 -9,-2.5 -2,-0.2 2,-0.4 -0.849 38.1-106.9-145.7 179.2 13.7 -9.8 12.1 40 40 A A E -CD 29 93A 9 53,-3.1 53,-3.3 -2,-0.2 2,-0.7 -0.988 26.7-147.6-118.8 132.3 11.1 -7.4 13.2 41 41 A A E -CD 28 92A 0 -13,-4.0 -13,-2.8 -2,-0.4 2,-0.8 -0.865 6.3-160.9-108.2 108.8 8.9 -8.3 16.2 42 42 A K E -CD 27 91A 21 49,-3.5 49,-2.9 -2,-0.7 2,-0.8 -0.771 5.6-159.3 -93.4 105.1 5.3 -7.0 16.2 43 43 A F E -CD 26 90A 24 -17,-2.9 -17,-1.8 -2,-0.8 2,-0.6 -0.757 7.4-166.5 -85.9 109.8 3.8 -7.1 19.7 44 44 A I E -CD 25 89A 5 45,-2.1 45,-2.4 -2,-0.8 2,-0.4 -0.880 16.9-133.8 -99.6 121.9 0.0 -7.0 19.4 45 45 A K E - D 0 88A 83 -21,-2.3 11,-2.5 -2,-0.6 43,-0.2 -0.615 21.7-137.2 -76.2 125.0 -1.8 -6.3 22.7 46 46 A K B -f 56 0B 41 41,-2.5 11,-0.2 -2,-0.4 2,-0.1 -0.445 22.1-102.1 -80.3 155.5 -4.7 -8.7 23.3 47 47 A R - 0 0 60 9,-1.8 8,-0.2 8,-0.1 -1,-0.1 -0.420 16.4-136.7 -73.6 152.4 -8.1 -7.6 24.6 48 48 A Q S S- 0 0 162 6,-0.7 -1,-0.1 -2,-0.1 7,-0.1 0.919 80.2 -39.5 -73.2 -48.2 -9.1 -8.1 28.3 49 49 A S S S- 0 0 75 -3,-0.0 -2,-0.1 8,-0.0 0, 0.0 0.184 87.7 -70.9-140.5 -91.5 -12.6 -9.4 27.5 50 50 A R S S+ 0 0 90 7,-0.1 470,-0.1 472,-0.0 7,-0.1 0.448 124.4 46.8-148.9 -43.5 -14.8 -7.8 24.7 51 51 A A S S+ 0 0 40 468,-0.1 432,-0.1 -4,-0.0 469,-0.0 0.876 83.8 128.9 -68.3 -40.8 -16.0 -4.3 25.7 52 52 A S - 0 0 33 1,-0.1 -5,-0.0 -5,-0.0 549,-0.0 0.224 54.4-152.3 -14.4 110.1 -12.4 -3.7 26.6 53 53 A R S S+ 0 0 157 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.808 78.0 68.8 -67.6 -32.2 -11.3 -0.5 24.9 54 54 A R S S+ 0 0 154 -8,-0.0 -6,-0.7 2,-0.0 -30,-0.1 -0.679 87.2 25.1 -87.2 142.7 -7.6 -1.8 24.9 55 55 A G S S- 0 0 10 -2,-0.3 2,-0.3 -8,-0.2 -9,-0.3 0.030 73.4 -87.6 102.4 161.1 -6.5 -4.7 22.7 56 56 A V B -f 46 0B 27 -11,-2.5 -9,-1.8 -32,-0.2 -2,-0.0 -0.836 47.0-110.4-103.1 146.2 -7.2 -6.6 19.5 57 57 A S > - 0 0 5 -2,-0.3 4,-1.4 -11,-0.2 5,-0.2 -0.264 23.3-113.4 -72.4 162.1 -9.6 -9.6 19.6 58 58 A R H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.941 116.0 52.5 -59.2 -49.0 -8.5 -13.2 19.2 59 59 A E H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.936 108.1 49.5 -51.7 -54.3 -10.3 -13.5 15.9 60 60 A E H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.764 114.1 45.9 -63.4 -28.2 -8.7 -10.4 14.4 61 61 A I H X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.907 114.2 47.8 -75.2 -45.9 -5.2 -11.7 15.4 62 62 A E H X S+ 0 0 70 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.838 110.8 52.9 -63.6 -34.7 -5.9 -15.2 14.1 63 63 A R H X S+ 0 0 53 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.952 109.8 47.2 -62.1 -51.8 -7.3 -13.7 10.9 64 64 A E H X S+ 0 0 12 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.910 115.0 45.5 -57.7 -46.7 -4.1 -11.6 10.3 65 65 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.930 110.6 53.9 -64.2 -46.7 -1.8 -14.6 11.1 66 66 A S H X S+ 0 0 51 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.909 114.0 42.4 -51.3 -47.1 -3.9 -16.9 8.9 67 67 A I H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.9 0.932 113.0 51.5 -68.3 -47.4 -3.5 -14.4 6.0 68 68 A L H 3< S+ 0 0 4 -4,-3.0 11,-0.6 1,-0.2 3,-0.5 0.836 104.4 58.7 -58.8 -34.1 0.2 -13.8 6.6 69 69 A R H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.734 104.1 51.9 -69.5 -22.9 0.9 -17.5 6.6 70 70 A Q H << S+ 0 0 67 -3,-1.1 2,-0.6 -4,-0.7 -1,-0.2 0.738 91.9 90.2 -80.3 -26.0 -0.5 -17.9 3.1 71 71 A V < + 0 0 4 -4,-0.9 2,-0.4 -3,-0.5 8,-0.4 -0.676 35.4 158.6 -96.2 114.5 1.6 -15.1 1.5 72 72 A L + 0 0 140 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.871 29.3 131.0-123.4 95.8 5.0 -15.7 -0.1 73 73 A H > - 0 0 36 -2,-0.4 3,-1.4 3,-0.4 53,-0.0 -0.989 61.3-124.0-145.1 152.0 5.8 -12.9 -2.6 74 74 A H T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.685 112.8 46.9 -71.5 -18.4 8.7 -10.6 -3.1 75 75 A N T 3 S+ 0 0 3 83,-0.1 84,-2.8 2,-0.1 2,-0.4 0.199 105.5 73.0-105.7 13.6 6.6 -7.4 -2.7 76 76 A V B < S-g 159 0C 0 -3,-1.4 -3,-0.4 82,-0.3 84,-0.2 -0.981 88.1-107.2-130.4 139.9 4.9 -8.6 0.4 77 77 A I - 0 0 13 82,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.354 36.7-139.8 -63.6 143.3 6.2 -9.0 4.0 78 78 A T - 0 0 34 -6,-0.1 16,-2.4 -4,-0.1 2,-0.3 -0.897 6.9-127.0-115.6 138.3 6.8 -12.6 5.0 79 79 A L E + E 0 93A 35 -11,-0.6 14,-0.2 -2,-0.4 3,-0.1 -0.597 22.7 178.1 -83.8 140.8 6.0 -14.2 8.4 80 80 A H E - 0 0 77 12,-2.5 2,-0.3 1,-0.4 13,-0.2 0.789 61.3 -25.0-106.5 -47.7 8.7 -16.2 10.2 81 81 A D E - E 0 92A 21 11,-1.6 11,-2.7 2,-0.0 2,-0.4 -0.983 49.0-132.3-164.8 161.1 7.1 -17.3 13.5 82 82 A V E - E 0 91A 1 -2,-0.3 -77,-2.5 9,-0.2 2,-0.2 -0.989 21.1-179.0-129.9 125.8 4.4 -16.5 16.1 83 83 A Y E -aE 5 90A 7 7,-2.8 7,-1.2 -2,-0.4 2,-0.3 -0.682 5.3-164.4-112.7 169.3 4.8 -16.4 19.9 84 84 A E E + E 0 89A 44 -79,-1.9 5,-0.2 -77,-0.5 2,-0.2 -0.936 12.4 169.9-159.3 135.3 2.3 -15.7 22.7 85 85 A N - 0 0 43 3,-2.4 -78,-0.1 -2,-0.3 -77,-0.0 -0.569 57.1 -77.9-123.1-168.1 2.2 -14.8 26.3 86 86 A R S S+ 0 0 191 -2,-0.2 3,-0.1 1,-0.1 -40,-0.0 0.795 125.9 24.9 -65.3 -29.3 -0.6 -13.7 28.7 87 87 A T S S+ 0 0 52 1,-0.2 -41,-2.5 -42,-0.1 2,-0.3 0.807 120.9 36.0-105.1 -40.5 -0.7 -10.1 27.4 88 88 A D E -D 45 0A 30 -43,-0.2 -3,-2.4 2,-0.0 2,-0.5 -0.857 54.2-146.6-121.4 151.2 0.7 -10.0 23.8 89 89 A V E -DE 44 84A 0 -45,-2.4 -45,-2.1 -2,-0.3 2,-0.6 -0.984 30.9-152.0-110.0 115.6 0.7 -12.1 20.7 90 90 A V E -DE 43 83A 2 -7,-1.2 -7,-2.8 -2,-0.5 2,-0.6 -0.810 7.8-158.6-102.7 117.3 4.0 -11.4 19.1 91 91 A L E -DE 42 82A 0 -49,-2.9 -49,-3.5 -2,-0.6 2,-0.8 -0.828 6.0-153.8 -92.7 118.7 4.5 -11.7 15.3 92 92 A I E +DE 41 81A 0 -11,-2.7 -12,-2.5 -2,-0.6 -11,-1.6 -0.845 29.3 175.1 -92.0 106.1 8.1 -12.3 14.2 93 93 A L E -DE 40 79A 13 -53,-3.3 -53,-3.1 -2,-0.8 -14,-0.2 -0.696 38.6 -75.6-114.1 160.7 8.2 -10.8 10.6 94 94 A E - 0 0 37 -16,-2.4 2,-0.8 -2,-0.2 -55,-0.2 -0.236 52.8-114.9 -47.1 137.0 10.8 -10.2 7.9 95 95 A L - 0 0 25 -57,-0.5 2,-0.7 -3,-0.1 -1,-0.1 -0.752 32.4-176.1 -84.9 112.2 12.9 -7.1 8.7 96 96 A V + 0 0 13 -2,-0.8 3,-0.3 1,-0.1 52,-0.1 -0.921 10.7 167.0-107.8 104.1 12.3 -4.4 6.2 97 97 A S + 0 0 84 -2,-0.7 51,-0.2 51,-0.4 53,-0.1 0.119 47.1 94.7-111.3 20.2 14.7 -1.6 7.1 98 98 A G S S- 0 0 2 49,-2.3 50,-0.2 1,-0.3 -1,-0.2 0.387 81.3-135.9 -91.8 3.0 14.6 0.7 4.1 99 99 A G - 0 0 26 -3,-0.3 48,-2.2 48,-0.3 -1,-0.3 -0.264 48.0 -24.5 74.9-165.0 11.9 3.0 5.6 100 100 A E B > -H 146 0C 43 46,-0.2 4,-1.5 1,-0.1 46,-0.2 -0.546 55.2-124.2 -82.2 147.7 8.9 4.3 3.7 101 101 A L H > S+ 0 0 0 44,-2.8 4,-2.2 41,-0.5 3,-0.2 0.900 111.2 52.4 -52.6 -47.6 8.9 4.6 -0.1 102 102 A F H > S+ 0 0 3 40,-0.3 4,-2.4 43,-0.3 -1,-0.2 0.849 103.0 56.9 -64.1 -37.5 8.0 8.3 0.1 103 103 A D H 4 S+ 0 0 77 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 110.3 45.5 -59.8 -41.1 10.9 9.1 2.4 104 104 A F H >< S+ 0 0 26 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.906 113.0 49.7 -68.2 -43.1 13.3 7.6 -0.2 105 105 A L H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.853 101.2 64.7 -61.8 -34.9 11.6 9.5 -3.0 106 106 A A T 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.508 100.8 51.8 -69.2 -5.1 11.8 12.8 -1.1 107 107 A Q T < S+ 0 0 141 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.422 84.5 110.7-110.2 -2.3 15.6 12.7 -1.2 108 108 A K < - 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0 0 55 -2,-0.9 2,-0.3 -5,-0.1 -17,-0.1 -0.935 36.6-161.9-143.4 165.8 -11.0 16.2 -6.8 235 235 A D - 0 0 93 -2,-0.3 2,-0.7 -19,-0.2 -2,-0.0 -0.924 32.0-115.5-141.3 171.9 -9.1 17.9 -9.7 236 236 A F - 0 0 28 -2,-0.3 2,-0.2 5,-0.0 5,-0.1 -0.672 42.3-161.1-103.7 71.2 -5.8 17.9 -11.5 237 237 A D >> - 0 0 68 -2,-0.7 3,-3.0 1,-0.2 4,-1.7 -0.379 19.4-131.7 -62.3 124.3 -5.0 21.5 -10.5 238 238 A E H 3> S+ 0 0 119 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.654 101.2 74.9 -58.0 -19.1 -2.3 22.8 -12.8 239 239 A E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.802 117.2 18.2 -57.9 -30.4 -0.3 24.1 -9.8 240 240 A F H <4 S+ 0 0 46 -3,-3.0 52,-0.3 2,-0.0 3,-0.3 0.650 128.8 49.0-112.5 -24.9 0.6 20.4 -9.1 241 241 A F H < S+ 0 0 3 -4,-1.7 3,-0.2 1,-0.2 -3,-0.2 0.000 70.2 105.3-115.3 27.8 -0.1 18.6 -12.5 242 242 A S S < S+ 0 0 75 -4,-0.7 -1,-0.2 1,-0.2 -3,-0.1 0.839 89.2 43.1 -73.9 -32.9 1.6 20.8 -15.1 243 243 A H S S+ 0 0 83 -3,-0.3 2,-0.3 -5,-0.1 47,-0.3 0.519 95.1 107.5 -84.9 -6.7 4.5 18.3 -15.5 244 244 A T - 0 0 17 -3,-0.2 47,-0.1 45,-0.1 -3,-0.1 -0.572 66.7-127.2 -88.1 134.7 2.1 15.3 -15.5 245 245 A S > - 0 0 14 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.197 19.0-117.2 -72.7 163.9 1.3 13.3 -18.6 246 246 A E H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.830 114.9 53.8 -69.2 -34.1 -2.3 12.6 -19.9 247 247 A L H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 27,-0.2 0.894 105.0 52.8 -69.7 -41.5 -1.8 8.8 -19.4 248 248 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 113.5 45.0 -55.4 -46.6 -0.8 9.2 -15.8 249 249 A K H X S+ 0 0 22 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.893 109.5 54.7 -64.1 -42.6 -4.0 11.2 -15.3 250 250 A D H X S+ 0 0 44 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.894 109.0 49.6 -56.5 -42.8 -6.0 8.6 -17.3 251 251 A F H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 3,-0.3 0.956 113.8 43.3 -60.6 -54.3 -4.7 5.9 -14.9 252 252 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.856 112.9 54.0 -61.1 -36.4 -5.6 7.9 -11.8 253 253 A R H < S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 106.1 50.7 -72.9 -33.0 -9.0 8.9 -13.2 254 254 A K H < S+ 0 0 87 -4,-1.8 10,-1.1 -3,-0.3 -1,-0.2 0.654 113.7 47.0 -77.1 -17.5 -10.0 5.3 -14.0 255 255 A L H < S+ 0 0 0 -4,-0.9 2,-2.3 -3,-0.4 -2,-0.2 0.864 99.3 65.1 -87.9 -44.8 -9.2 4.3 -10.4 256 256 A L S < S+ 0 0 4 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.2 -0.364 76.4 133.1 -80.2 63.8 -10.9 7.1 -8.4 257 257 A V - 0 0 36 -2,-2.3 6,-0.1 -3,-0.2 -25,-0.1 -0.909 54.0-144.9-117.0 140.3 -14.4 6.0 -9.6 258 258 A K S S+ 0 0 109 -2,-0.4 2,-0.3 -27,-0.1 -71,-0.2 0.960 81.9 79.4 -68.7 -52.4 -17.4 5.7 -7.3 259 259 A E > - 0 0 106 1,-0.2 4,-1.0 2,-0.1 3,-0.2 -0.421 69.5-155.3 -62.6 119.6 -19.0 2.7 -9.0 260 260 A T T 4 S+ 0 0 26 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.821 91.9 54.1 -66.5 -32.5 -17.1 -0.4 -7.8 261 261 A R T 4 S+ 0 0 207 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.832 110.5 45.8 -70.7 -33.9 -18.0 -2.4 -11.0 262 262 A K T 4 S+ 0 0 155 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.642 92.8 100.9 -86.2 -17.9 -16.6 0.3 -13.3 263 263 A R S < S- 0 0 4 -4,-1.0 2,-0.3 1,-0.1 -8,-0.2 -0.292 87.4 -92.3 -65.8 153.0 -13.4 0.8 -11.3 264 264 A L - 0 0 18 -10,-1.1 2,-0.1 -64,-0.1 -1,-0.1 -0.506 35.1-142.3 -69.0 129.1 -10.2 -0.8 -12.6 265 265 A T >> - 0 0 56 -2,-0.3 4,-1.9 -4,-0.1 3,-0.6 -0.420 34.0 -98.8 -78.6 168.2 -9.5 -4.3 -11.3 266 266 A I H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.860 121.6 55.5 -62.5 -37.0 -5.8 -5.0 -10.6 267 267 A Q H 3> S+ 0 0 107 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.824 108.8 48.5 -66.7 -31.1 -5.2 -6.9 -13.8 268 268 A E H <4 S+ 0 0 93 -3,-0.6 4,-0.4 2,-0.2 3,-0.3 0.889 108.5 53.5 -74.4 -42.2 -6.5 -3.9 -15.9 269 269 A A H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 6,-0.2 0.818 106.9 52.3 -62.2 -34.5 -4.3 -1.5 -13.9 270 270 A L H 3< S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.8 45.7 -67.4 -30.9 -1.2 -3.6 -14.7 271 271 A R T 3< S+ 0 0 208 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.382 83.6 122.9 -95.2 0.8 -2.1 -3.5 -18.4 272 272 A H S X> S- 0 0 13 -3,-0.6 4,-3.6 -4,-0.4 3,-1.5 -0.400 73.5-119.0 -66.6 140.8 -2.8 0.2 -18.5 273 273 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.797 113.4 58.9 -53.0 -33.2 -0.7 2.0 -21.1 274 274 A W T 34 S+ 0 0 3 -27,-0.2 -157,-0.1 1,-0.2 -26,-0.1 0.823 118.2 30.9 -65.0 -33.4 0.9 4.2 -18.4 275 275 A I T <4 S+ 0 0 5 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.1 0.857 136.2 27.1 -87.9 -44.9 2.2 1.0 -16.6 276 276 A T S < S- 0 0 65 -4,-3.6 -1,-0.2 0, 0.0 -2,-0.1 -0.839 83.4-150.3-122.9 91.2 2.6 -1.1 -19.8 277 277 A P - 0 0 36 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.325 3.0-155.1 -60.9 141.0 3.3 1.0 -22.9 278 278 A V S S+ 0 0 120 1,-0.0 2,-0.3 -2,-0.0 0, 0.0 0.813 73.9 22.8 -90.6 -35.1 2.1 -0.4 -26.2 279 279 A D S > S- 0 0 65 1,-0.0 4,-0.9 0, 0.0 -1,-0.0 -0.792 82.1-108.8-125.1 171.4 4.5 1.3 -28.6 280 280 A N H > S+ 0 0 112 -2,-0.3 4,-1.1 1,-0.2 -1,-0.0 0.662 111.9 66.8 -75.8 -15.8 7.9 2.9 -28.3 281 281 A Q H >> S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.980 103.1 42.5 -65.6 -56.9 6.4 6.4 -28.7 282 282 A Q H 3> S+ 0 0 74 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.721 107.8 62.2 -66.5 -22.0 4.5 6.3 -25.4 283 283 A A H 3X S+ 0 0 12 -4,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.839 104.0 48.9 -69.9 -33.9 7.5 4.8 -23.6 284 284 A M H - 0 0 32 -81,-0.8 4,-1.5 -2,-0.4 5,-0.1 -0.630 33.1-177.0 -79.1 95.6 7.6 17.9 -9.3 293 293 A L H > S+ 0 0 9 -2,-1.3 4,-3.0 1,-0.2 -1,-0.2 0.720 76.5 56.2 -71.3 -23.9 9.8 16.9 -6.4 294 294 A E H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 105.6 50.2 -74.3 -43.8 9.6 20.2 -4.5 295 295 A N H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.897 116.7 44.7 -54.7 -38.8 5.8 20.1 -4.4 296 296 A F H < S+ 0 0 4 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.927 113.1 48.1 -70.2 -48.9 6.3 16.6 -3.1 297 297 A R H >< S+ 0 0 93 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.762 110.3 54.2 -63.6 -28.6 9.1 17.5 -0.6 298 298 A K H 3< S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.948 108.8 45.8 -71.0 -50.0 7.0 20.4 0.7 299 299 A Q T 3< S+ 0 0 105 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.209 130.5 24.8 -78.5 15.9 3.9 18.3 1.5 300 300 A Y < 0 0 70 -3,-0.6 -3,-0.1 -194,-0.1 -2,-0.1 0.033 360.0 360.0-134.0-113.4 6.3 15.8 3.2 301 301 A V 0 0 152 -5,-0.1 -4,-0.1 -2,-0.1 -3,-0.1 -0.334 360.0 360.0 117.1 360.0 9.7 16.8 4.6 302 !* 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 0.0 303 2 B E 0 0 195 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.0 -12.3 35.9 23.9 304 3 B P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 79,-0.1 -0.437 360.0-110.9 -70.6 149.1 -8.6 35.4 22.9 305 4 B F - 0 0 22 -2,-0.1 2,-0.3 1,-0.1 79,-0.2 -0.499 38.9-102.3 -73.8 148.3 -6.7 32.5 24.4 306 5 B K B -l 384 0F 79 77,-2.2 79,-2.3 -2,-0.2 4,-0.1 -0.552 24.2-161.4 -77.5 135.3 -4.0 33.5 26.9 307 6 B Q + 0 0 162 -2,-0.3 -1,-0.1 77,-0.2 77,-0.1 0.399 57.0 108.4 -97.2 0.1 -0.4 33.4 25.6 308 7 B Q S S- 0 0 97 1,-0.1 2,-0.4 2,-0.1 77,-0.4 -0.374 85.7 -88.9 -75.3 157.9 1.2 33.3 29.0 309 8 B K >> - 0 0 113 1,-0.2 3,-1.6 75,-0.1 4,-0.6 -0.556 29.6-144.5 -71.6 120.8 2.9 30.1 30.3 310 9 B V H >> S+ 0 0 7 -2,-0.4 4,-2.1 1,-0.3 3,-1.0 0.835 98.4 58.7 -54.0 -36.5 0.3 28.0 32.1 311 10 B E H 34 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.660 95.6 62.5 -71.9 -18.5 3.0 26.9 34.6 312 11 B D H <4 S+ 0 0 89 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.711 117.3 29.8 -73.4 -22.4 3.7 30.5 35.7 313 12 B F H << S+ 0 0 90 -3,-1.0 21,-2.2 -4,-0.6 22,-0.4 0.637 123.8 42.1-111.2 -22.8 0.1 30.7 36.9 314 13 B Y E < S-M 333 0F 1 -4,-2.1 2,-0.6 19,-0.2 19,-0.2 -0.939 72.2-127.7-125.1 148.6 -0.8 27.1 37.9 315 14 B D E -M 332 0F 97 17,-1.8 17,-1.2 -2,-0.3 2,-0.3 -0.875 34.1-134.7 -88.2 122.4 1.1 24.4 39.8 316 15 B I E +M 331 0F 68 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.650 32.1 175.5 -84.8 134.1 0.9 21.3 37.6 317 16 B G E - 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0 0 79 -5,-2.8 -16,-0.3 -16,-0.1 -1,-0.2 -0.707 58.4 -66.4-107.2 161.5 -33.2 -31.9 79.6 1096 193 D P - 0 0 67 0, 0.0 2,-0.2 0, 0.0 -18,-0.2 -0.206 57.9-145.9 -51.6 133.3 -33.9 -35.6 80.4 1097 194 D L + 0 0 14 -20,-3.3 -20,-0.4 -3,-0.1 2,-0.2 -0.664 29.3 142.6-105.4 156.9 -37.6 -36.4 80.5 1098 195 D G > - 0 0 6 -2,-0.2 3,-0.6 -22,-0.1 4,-0.4 -0.785 67.4 -48.6-159.1-153.8 -39.8 -38.7 82.6 1099 196 D L T 3> S+ 0 0 44 -2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.609 117.3 76.5 -68.5 -12.5 -43.1 -39.1 84.3 1100 197 D E H >> S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.892 78.6 68.0 -69.6 -41.6 -42.6 -35.6 85.9 1101 198 D A H <> S+ 0 0 1 -3,-0.6 4,-1.5 1,-0.3 3,-0.3 0.858 97.4 54.9 -43.8 -45.5 -43.4 -33.6 82.8 1102 199 D D H 3> S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.3 0.840 102.7 56.2 -58.5 -36.5 -47.1 -34.7 83.1 1103 200 D M H S- 0 0 13 1,-0.1 4,-2.3 -463,-0.1 -2,-0.4 -0.870 85.9-105.5-136.6 170.4 -45.6 -14.8 71.9 1125 222 D K H > S+ 0 0 90 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.927 120.3 57.5 -59.8 -45.1 -44.1 -18.2 71.9 1126 223 D Q H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 109.0 43.6 -52.5 -47.4 -40.8 -16.5 72.9 1127 224 D E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 111.3 53.4 -67.3 -46.1 -42.4 -15.0 76.1 1128 225 D T H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.923 111.5 46.3 -55.0 -46.1 -44.2 -18.2 77.0 1129 226 D L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.880 112.8 49.3 -65.0 -40.0 -41.0 -20.2 76.9 1130 227 D A H X S+ 0 0 39 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.833 110.3 51.6 -68.1 -34.6 -39.1 -17.6 78.9 1131 228 D N H X>S+ 0 0 45 -4,-2.5 5,-2.8 -11,-0.3 4,-0.8 0.864 112.1 46.7 -68.0 -39.0 -41.8 -17.6 81.5 1132 229 D I H ><5S+ 0 0 0 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.958 111.0 49.2 -67.7 -51.3 -41.7 -21.4 81.8 1133 230 D T H 3<5S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 118.7 40.3 -67.0 -19.9 -37.9 -21.7 82.1 1134 231 D S H 3<5S- 0 0 67 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.546 107.4-124.4 -96.3 -12.8 -37.8 -18.9 84.8 1135 232 D V T <<5 + 0 0 45 -3,-0.9 2,-1.1 -4,-0.8 -3,-0.2 0.911 44.3 174.6 59.4 48.0 -40.9 -20.2 86.6 1136 233 D S < + 0 0 65 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.738 25.5 111.1 -87.5 94.1 -42.6 -16.7 86.2 1137 234 D Y - 0 0 51 -2,-1.1 2,-0.3 -3,-0.1 -17,-0.1 -0.938 35.6-177.8-145.3 168.5 -46.1 -17.0 87.6 1138 235 D D - 0 0 100 -2,-0.3 2,-1.0 -19,-0.1 -2,-0.0 -0.956 38.3-105.9-153.9 173.1 -48.0 -15.7 90.5 1139 236 D F - 0 0 39 -2,-0.3 2,-0.2 5,-0.0 13,-0.0 -0.747 42.4-163.2-101.9 81.0 -51.4 -15.9 92.1 1140 237 D D >> - 0 0 68 -2,-1.0 4,-2.4 1,-0.1 3,-1.3 -0.475 22.0-130.5 -68.3 134.6 -52.7 -12.5 91.2 1141 238 D E H 3> S+ 0 0 115 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.620 100.6 74.3 -64.5 -13.8 -55.7 -11.5 93.3 1142 239 D E H 34 S+ 0 0 142 2,-0.2 -1,-0.3 1,-0.1 3,-0.0 0.915 117.3 15.8 -62.0 -43.3 -57.6 -10.5 90.1 1143 240 D F H <4 S+ 0 0 47 -3,-1.3 3,-0.3 1,-0.1 52,-0.3 0.724 132.4 46.8-100.7 -27.5 -58.1 -14.1 89.2 1144 241 D F H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -3,-0.2 0.126 71.4 105.5-111.4 19.3 -57.3 -15.9 92.6 1145 242 D S S < S+ 0 0 68 -4,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.868 88.7 45.2 -64.0 -35.5 -59.2 -13.8 95.2 1146 243 D H S S+ 0 0 87 -3,-0.3 47,-0.2 -5,-0.1 -1,-0.2 0.618 93.7 108.4 -79.5 -13.8 -61.8 -16.6 95.5 1147 244 D T - 0 0 12 -3,-0.5 47,-0.1 45,-0.1 -3,-0.1 -0.445 65.0-127.7 -82.6 137.6 -59.2 -19.4 95.6 1148 245 D S > - 0 0 8 -2,-0.2 4,-1.3 1,-0.1 5,-0.1 -0.241 18.8-118.6 -72.5 162.2 -58.3 -21.4 98.8 1149 246 D E H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.783 115.0 56.6 -71.3 -30.9 -54.9 -21.9 100.3 1150 247 D L H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 27,-0.2 0.936 105.8 50.3 -61.7 -47.7 -55.2 -25.7 99.7 1151 248 D A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.838 112.8 46.2 -62.7 -36.6 -55.8 -25.1 96.0 1152 249 D K H X S+ 0 0 21 -4,-1.3 4,-3.5 2,-0.2 -1,-0.2 0.937 108.4 54.8 -69.6 -48.1 -52.7 -22.9 95.7 1153 250 D D H X S+ 0 0 44 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.852 108.2 51.5 -54.6 -38.5 -50.4 -25.2 97.7 1154 251 D F H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 3,-0.5 0.976 113.6 41.5 -60.0 -58.6 -51.4 -28.0 95.2 1155 252 D I H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.3 0.898 112.3 57.8 -56.9 -42.5 -50.6 -25.9 92.1 1156 253 D R H 3< S+ 0 0 92 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 104.0 49.8 -59.7 -38.6 -47.5 -24.6 93.8 1157 254 D K H 3< S+ 0 0 82 -4,-1.7 10,-2.0 -3,-0.5 -1,-0.3 0.500 112.8 47.8 -84.3 -4.4 -45.9 -28.0 94.5 1158 255 D L H << S+ 0 0 0 -3,-1.3 2,-2.2 -4,-0.6 -2,-0.2 0.773 98.5 66.2 -97.9 -40.5 -46.5 -29.1 90.8 1159 256 D L S < S+ 0 0 5 -4,-2.3 2,-0.4 -52,-0.1 -1,-0.1 -0.333 75.0 129.8 -80.3 59.6 -45.0 -26.0 89.1 1160 257 D V - 0 0 40 -2,-2.2 6,-0.1 -3,-0.2 -25,-0.1 -0.958 53.7-147.5-118.7 128.9 -41.5 -26.8 90.4 1161 258 D K S S+ 0 0 92 -2,-0.4 2,-0.4 4,-0.1 -71,-0.2 0.932 78.3 81.0 -63.4 -48.7 -38.6 -26.8 88.0 1162 259 D E S >> S- 0 0 88 1,-0.2 4,-0.9 3,-0.1 3,-0.6 -0.464 73.6-147.1 -68.1 117.5 -36.5 -29.5 89.8 1163 260 D T T 34 S+ 0 0 41 -2,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.833 94.6 52.3 -54.0 -39.8 -38.0 -32.9 88.6 1164 261 D R T 34 S+ 0 0 218 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.850 109.0 47.2 -69.0 -37.1 -37.2 -34.6 92.0 1165 262 D K T <4 S+ 0 0 153 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.565 91.3 103.9 -82.8 -7.9 -38.9 -32.0 94.2 1166 263 D R S < S- 0 0 5 -4,-0.9 -8,-0.2 -3,-0.5 2,-0.1 -0.492 87.2 -93.4 -73.6 142.9 -42.0 -32.0 92.0 1167 264 D L - 0 0 19 -10,-2.0 2,-0.2 -2,-0.2 -1,-0.1 -0.347 37.4-136.2 -56.6 126.0 -45.1 -33.8 93.3 1168 265 D T >> - 0 0 71 -2,-0.1 4,-2.0 -4,-0.1 3,-0.8 -0.573 29.7-103.4 -80.0 150.6 -45.3 -37.4 92.1 1169 266 D I H 3> S+ 0 0 8 1,-0.3 4,-1.5 2,-0.2 -138,-0.1 0.788 124.4 52.2 -45.6 -35.9 -48.7 -38.6 90.9 1170 267 D Q H 3> S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.922 108.7 48.8 -66.1 -46.3 -49.1 -40.5 94.2 1171 268 D E H <> S+ 0 0 71 -3,-0.8 4,-0.6 1,-0.2 -2,-0.2 0.791 109.0 54.4 -64.8 -29.9 -48.3 -37.4 96.3 1172 269 D A H < S+ 0 0 0 -4,-2.0 3,-0.4 2,-0.2 6,-0.2 0.858 106.7 49.9 -73.1 -36.7 -50.8 -35.4 94.3 1173 270 D L H < S+ 0 0 22 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.774 112.2 49.8 -68.6 -26.8 -53.6 -37.9 95.0 1174 271 D R H < S+ 0 0 169 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.587 82.3 119.3 -88.0 -12.5 -52.7 -37.7 98.7 1175 272 D H S >X S- 0 0 11 -4,-0.6 4,-3.4 -3,-0.4 3,-1.2 -0.244 73.8-123.0 -57.7 139.3 -52.7 -33.9 98.8 1176 273 D P T 34 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.770 110.5 60.5 -58.4 -27.2 -55.3 -32.5 101.3 1177 274 D W T 34 S+ 0 0 1 -27,-0.2 -157,-0.1 1,-0.2 -26,-0.1 0.828 117.2 30.8 -67.1 -34.2 -57.0 -30.5 98.5 1178 275 D I T <4 S+ 0 0 7 -3,-1.2 -1,-0.2 -6,-0.2 -5,-0.1 0.833 136.4 27.1 -88.3 -40.4 -57.7 -33.7 96.6 1179 276 D T S < S- 0 0 63 -4,-3.4 -1,-0.2 -5,-0.0 -2,-0.2 -0.769 83.0-151.2-127.4 83.1 -58.1 -36.0 99.6 1180 277 D P - 0 0 38 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.320 5.6-162.6 -58.2 130.9 -59.2 -34.0 102.7 1181 278 D V S S+ 0 0 115 -2,-0.0 2,-0.2 2,-0.0 0, 0.0 0.863 73.5 25.5 -84.3 -41.2 -58.0 -35.5 106.0 1182 279 D D S > S- 0 0 60 -6,-0.1 4,-1.0 1,-0.0 3,-0.3 -0.708 84.8-110.0-116.5 171.5 -60.4 -33.7 108.4 1183 280 D N H > S+ 0 0 108 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.658 112.5 66.4 -78.4 -15.7 -63.9 -32.3 107.8 1184 281 D Q H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 100.8 49.4 -70.6 -38.0 -62.6 -28.7 108.2 1185 282 D Q H > S+ 0 0 41 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.887 109.1 53.3 -63.7 -40.7 -60.6 -29.1 105.0 1186 283 D A H X S+ 0 0 8 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.796 108.3 50.2 -66.2 -31.0 -63.7 -30.4 103.3 1187 284 D M H X S+ 0 0 87 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.933 108.4 50.5 -72.7 -49.0 -65.7 -27.3 104.3 1188 285 D V H X S+ 0 0 66 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.917 115.2 44.7 -51.8 -45.5 -63.1 -24.9 103.0 1189 286 D R H < S+ 0 0 30 -4,-2.0 -172,-1.2 1,-0.2 -173,-0.9 0.824 111.7 52.1 -70.4 -33.9 -63.1 -26.7 99.7 1190 287 D R H < S+ 0 0 111 -4,-1.5 -1,-0.2 -174,-0.2 -2,-0.2 0.770 116.0 41.1 -71.5 -27.3 -67.0 -27.0 99.6 1191 288 D E H < S+ 0 0 125 -4,-1.9 2,-0.5 -3,-0.1 -2,-0.2 0.693 91.4 93.7 -96.0 -26.5 -67.3 -23.2 100.2 1192 289 D S < - 0 0 19 -4,-1.7 -176,-2.3 -5,-0.2 -175,-0.3 -0.617 64.9-158.9 -72.0 118.7 -64.5 -22.0 97.9 1193 290 D V B -Q 1015 0S 58 -2,-0.5 2,-0.4 -178,-0.2 -178,-0.2 -0.633 15.1-126.0 -98.3 155.4 -66.0 -21.2 94.5 1194 291 D V - 0 0 10 -180,-2.8 2,-1.2 -2,-0.2 -180,-0.4 -0.861 26.5-124.1 -93.8 135.1 -64.4 -20.9 91.1 1195 292 D N > - 0 0 46 -81,-0.7 4,-1.5 -2,-0.4 3,-0.4 -0.695 27.1-176.1 -81.9 96.4 -65.1 -17.6 89.3 1196 293 D L H >>S+ 0 0 6 -2,-1.2 4,-4.8 1,-0.2 5,-0.5 0.865 77.5 71.0 -63.2 -37.2 -66.7 -18.8 86.1 1197 294 D E H >5S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 102.8 41.2 -36.9 -59.5 -66.8 -15.2 84.9 1198 295 D N H >5S+ 0 0 29 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.907 123.0 40.5 -59.6 -44.8 -63.0 -15.1 84.6 1199 296 D F H <5S+ 0 0 5 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.953 114.4 49.1 -70.0 -54.5 -63.0 -18.6 83.0 1200 297 D R H X5S+ 0 0 88 -4,-4.8 4,-1.3 1,-0.2 3,-0.4 0.820 115.2 47.6 -56.1 -34.6 -66.0 -18.3 80.8 1201 298 D K H <