==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKT . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.3 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+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 3 1 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 46 0, 0.0 3,-2.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -11.2 -13.3 -4.2 -3.0 2 2 A E T 3 + 0 0 153 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.602 360.0 67.3 -67.3 -11.2 -13.1 -4.3 -6.8 3 3 A N T 3 S+ 0 0 78 20,-0.1 21,-3.4 21,-0.0 22,-0.4 0.398 94.3 71.7 -83.7 -2.1 -10.6 -1.4 -6.4 4 4 A F E < -A 23 0A 29 -3,-2.0 2,-0.5 19,-0.2 19,-0.2 -0.964 61.7-160.0-122.3 136.8 -8.0 -3.9 -4.7 5 5 A Q E -A 22 0A 111 17,-2.1 17,-2.4 -2,-0.4 2,-0.2 -0.971 25.0-129.2-110.3 119.6 -5.9 -6.7 -6.3 6 6 A K E +A 21 0A 113 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.495 27.4 176.8 -70.9 136.4 -4.6 -9.2 -3.7 7 7 A V E - 0 0 76 13,-3.4 2,-0.3 1,-0.3 14,-0.2 0.808 58.9 -27.9-103.6 -54.5 -0.9 -9.9 -3.9 8 8 A E E -A 20 0A 109 12,-1.3 12,-3.7 0, 0.0 2,-0.5 -0.976 60.7 -95.4-163.8 156.5 -0.2 -12.4 -1.1 9 9 A K E +A 19 0A 129 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.652 34.9 176.7 -78.3 120.0 -1.3 -13.5 2.4 10 10 A I E - 0 0 69 8,-2.1 2,-0.2 -2,-0.5 9,-0.2 0.315 60.1 -6.9-107.5 5.2 0.8 -11.7 5.1 11 11 A G E -A 18 0A 27 7,-1.1 7,-2.9 2,-0.0 2,-1.0 -0.782 47.7-126.1 168.3 148.6 -0.9 -13.1 8.2 12 12 A E E -A 17 0A 46 -2,-0.2 5,-0.2 5,-0.2 -3,-0.0 -0.876 53.4-163.0-103.5 84.3 -3.7 -15.1 9.8 13 13 A G - 0 0 30 3,-1.4 -2,-0.0 -2,-1.0 4,-0.0 0.039 29.8 -99.8 -64.5-180.0 -4.6 -12.3 12.0 14 14 A T S S+ 0 0 54 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.899 121.1 26.2 -70.3 -43.9 -6.7 -12.4 15.2 15 15 A Y S S- 0 0 64 1,-0.2 2,-0.3 20,-0.0 -1,-0.2 0.577 134.0 -39.9 -97.9 -12.7 -10.0 -11.2 13.6 16 16 A G S S- 0 0 20 19,-0.2 -3,-1.4 2,-0.0 2,-0.3 -0.978 80.4 -43.9 172.3-169.6 -9.3 -12.4 10.0 17 17 A V E -A 12 0A 42 17,-0.5 17,-1.9 -2,-0.3 2,-0.4 -0.660 43.3-147.3 -91.3 134.7 -6.8 -12.9 7.2 18 18 A V E -AB 11 33A 25 -7,-2.9 -8,-2.1 -2,-0.3 -7,-1.1 -0.900 18.6-172.8-101.0 129.9 -4.4 -10.0 6.3 19 19 A Y E -AB 9 32A 61 13,-2.7 13,-3.1 -2,-0.4 2,-0.4 -0.931 28.8-125.0-121.1 147.2 -3.3 -9.7 2.6 20 20 A K E +AB 8 31A 42 -12,-3.7 -13,-3.4 -2,-0.3 -12,-1.3 -0.764 48.1 172.9 -80.3 134.2 -0.8 -7.5 0.8 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.8 -2,-0.4 2,-0.4 -0.953 32.0-127.3-143.2 161.2 -2.9 -5.8 -1.9 22 22 A R E -AB 5 29A 112 -17,-2.4 -17,-2.1 -2,-0.3 2,-0.5 -0.964 18.3-137.6-114.7 129.5 -2.7 -3.0 -4.6 23 23 A N E > -A 4 0A 21 5,-3.5 4,-1.7 -2,-0.4 -19,-0.2 -0.738 10.2-156.6 -81.9 122.9 -5.2 -0.1 -4.8 24 24 A K T 4 S+ 0 0 135 -21,-3.4 -1,-0.1 -2,-0.5 -20,-0.1 0.746 86.9 53.9 -75.2 -23.8 -6.1 0.4 -8.5 25 25 A L T 4 S+ 0 0 80 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.887 126.4 17.7 -77.8 -42.7 -7.2 4.1 -8.1 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.491 96.2-122.7-105.9 -13.0 -4.0 5.4 -6.4 27 27 A G < + 0 0 43 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.521 59.9 154.5 76.3 11.2 -1.5 2.6 -7.2 28 28 A E - 0 0 82 -5,-0.2 -5,-3.5 -6,-0.1 2,-0.5 -0.410 43.5-137.3 -76.2 140.6 -0.9 2.2 -3.5 29 29 A V E +B 22 0A 50 -7,-0.2 45,-0.6 -2,-0.1 2,-0.3 -0.882 38.6 166.8 -95.8 128.1 0.4 -1.1 -1.9 30 30 A V E -BC 21 73A 0 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.5 -0.847 41.2-111.1-135.5 171.3 -1.6 -1.7 1.3 31 31 A A E -BC 20 72A 10 41,-2.7 41,-3.3 -2,-0.3 2,-0.5 -0.945 33.5-160.2-108.7 124.3 -2.4 -4.4 3.9 32 32 A L E -BC 19 71A 2 -13,-3.1 -13,-2.7 -2,-0.5 2,-0.5 -0.947 5.0-166.1-113.2 123.2 -6.0 -5.5 3.7 33 33 A K E -BC 18 70A 1 37,-2.9 37,-2.6 -2,-0.5 2,-0.6 -0.943 8.1-154.1-111.9 124.5 -7.7 -7.2 6.6 34 34 A K E C 0 69A 76 -17,-1.9 -17,-0.5 -2,-0.5 35,-0.2 -0.899 360.0 360.0 -98.8 117.0 -11.0 -9.0 6.1 35 35 A I 0 0 53 33,-3.6 33,-1.0 -2,-0.6 -19,-0.2 -0.772 360.0 360.0 -89.9 360.0 -13.0 -9.1 9.4 36 ! 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 37 45 A P >> 0 0 125 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 141.7 -22.5 -4.3 14.1 38 46 A S H 3> + 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 360.0 61.5 -60.8 -40.4 -22.9 -0.4 14.4 39 47 A T H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.862 107.4 47.3 -52.7 -39.5 -20.9 -0.2 17.7 40 48 A A H <> S+ 0 0 5 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.915 107.7 54.1 -71.6 -42.7 -17.8 -1.6 15.7 41 49 A I H X S+ 0 0 45 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.915 112.4 45.1 -58.0 -42.7 -18.2 0.8 12.7 42 50 A R H X S+ 0 0 171 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.909 114.6 45.7 -69.2 -42.9 -18.2 3.8 15.0 43 51 A E H X S+ 0 0 30 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.881 115.4 47.8 -68.9 -38.6 -15.2 2.6 17.2 44 52 A I H >X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.6 0.911 108.0 55.2 -69.1 -40.5 -13.2 1.7 14.1 45 53 A S H >< S+ 0 0 43 -4,-2.4 3,-0.8 -5,-0.3 4,-0.3 0.869 103.3 56.0 -60.7 -35.2 -14.1 5.0 12.5 46 54 A L H >< S+ 0 0 112 -4,-1.7 3,-1.3 1,-0.2 4,-0.4 0.833 99.7 60.9 -63.8 -32.6 -12.6 6.8 15.6 47 55 A L H X< S+ 0 0 11 -4,-1.0 3,-0.9 -3,-0.6 11,-0.3 0.769 89.5 69.6 -68.4 -20.8 -9.3 4.8 15.0 48 56 A K T << S+ 0 0 63 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.691 100.8 48.2 -65.1 -24.0 -8.9 6.5 11.5 49 57 A E T < S+ 0 0 152 -3,-1.3 2,-1.7 -4,-0.3 -1,-0.3 0.539 85.7 92.7 -91.0 -13.9 -8.2 9.8 13.4 50 58 A L < + 0 0 16 -3,-0.9 2,-0.4 -4,-0.4 8,-0.1 -0.552 60.5 165.9 -85.2 74.8 -5.7 8.3 15.8 51 59 A N + 0 0 69 -2,-1.7 5,-0.1 6,-0.1 -3,-0.0 -0.785 6.0 145.2-102.2 128.8 -2.6 9.1 13.6 52 60 A H > - 0 0 44 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.977 56.0-112.3-157.2 150.6 1.0 9.0 14.8 53 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.725 117.9 49.6 -61.4 -23.9 4.3 8.1 13.2 54 62 A N T 3 S+ 0 0 10 48,-0.1 81,-2.7 80,-0.1 2,-0.4 0.121 97.9 80.9-101.8 19.7 4.6 5.0 15.4 55 63 A I B < S-e 135 0B 11 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.997 88.5-115.1-124.3 128.0 1.1 3.7 14.6 56 64 A V - 0 0 9 79,-2.6 82,-0.2 -2,-0.4 2,-0.2 -0.443 44.2-110.4 -62.3 124.3 0.3 1.8 11.4 57 65 A K - 0 0 91 -2,-0.2 16,-2.7 -4,-0.1 2,-0.8 -0.404 16.8-143.4 -68.4 129.2 -2.0 4.1 9.5 58 66 A L E -D 72 0A 10 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.835 22.8-179.5 -86.9 108.5 -5.7 2.9 9.2 59 67 A L E - 0 0 36 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.880 55.5 -12.4 -80.7 -42.2 -6.4 4.2 5.6 60 68 A D E -D 71 0A 88 11,-1.5 11,-2.7 2,-0.0 2,-0.5 -0.992 46.1-141.0-162.3 158.0 -10.0 3.2 5.2 61 69 A V E -D 70 0A 24 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.999 20.4-167.8-124.7 119.1 -12.9 1.1 6.6 62 70 A I E -D 69 0A 37 7,-3.0 7,-2.7 -2,-0.5 2,-0.7 -0.964 4.9-172.7-116.5 114.9 -15.1 -0.6 3.9 63 71 A H E +D 68 0A 109 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.944 26.1 149.3-107.5 107.3 -18.4 -2.1 5.1 64 72 A T E > -D 67 0A 65 3,-2.0 3,-2.1 -2,-0.7 -2,-0.1 -0.992 60.0 -4.0-144.2 137.6 -19.9 -4.0 2.2 65 73 A E T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.864 126.0 -57.8 48.4 46.6 -22.2 -7.2 1.9 66 74 A N T 3 S+ 0 0 99 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.508 117.8 111.0 62.7 11.3 -22.1 -7.8 5.7 67 75 A K E < - D 0 64A 89 -3,-2.1 -3,-2.0 2,-0.0 2,-0.5 -0.801 57.9-146.3-111.1 151.6 -18.2 -8.0 5.6 68 76 A L E - D 0 63A 15 -33,-1.0 -33,-3.6 -2,-0.3 2,-0.4 -0.987 12.0-169.5-122.5 126.2 -15.8 -5.4 7.0 69 77 A Y E -CD 34 62A 28 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.5 -0.978 6.1-159.3-115.3 132.2 -12.5 -4.6 5.3 70 78 A L E -CD 33 61A 0 -37,-2.6 -37,-2.9 -2,-0.4 2,-0.6 -0.945 7.2-155.3-110.7 126.5 -9.8 -2.6 7.0 71 79 A V E +CD 32 60A 4 -11,-2.7 -12,-2.5 -2,-0.5 -11,-1.5 -0.941 21.0 179.9-104.7 119.4 -7.2 -1.0 4.7 72 80 A F E -CD 31 58A 16 -41,-3.3 -41,-2.7 -2,-0.6 -14,-0.2 -0.819 36.3 -92.1-118.4 157.6 -3.9 -0.3 6.4 73 81 A E E -C 30 0A 47 -16,-2.7 2,-0.4 -2,-0.3 -43,-0.2 -0.362 50.0-123.7 -55.0 143.4 -0.5 1.2 5.5 74 82 A F - 0 0 35 -45,-0.6 2,-0.3 -44,-0.1 -45,-0.1 -0.851 28.0-178.2-101.1 136.9 1.9 -1.7 4.5 75 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 -45,-0.0 -0.955 26.2-132.7-129.5 148.7 5.3 -2.5 6.1 76 84 A H S S+ 0 0 149 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.542 77.4 25.7 -83.9 -15.1 7.5 -5.3 4.9 77 85 A Q E -F 127 0B 34 50,-0.9 50,-2.5 4,-0.0 2,-0.2 -0.996 60.8-141.0-149.0 150.3 8.5 -7.1 8.1 78 86 A D E > -F 126 0B 45 -2,-0.3 4,-1.8 48,-0.2 48,-0.2 -0.641 32.9-111.2-104.7 166.1 7.3 -7.7 11.6 79 87 A L H > S+ 0 0 0 46,-2.5 4,-3.1 43,-1.2 5,-0.2 0.813 114.8 62.1 -67.2 -28.7 9.4 -7.9 14.8 80 88 A K H > S+ 0 0 92 42,-0.7 4,-2.4 45,-0.3 -1,-0.2 0.960 107.1 44.1 -61.3 -48.0 8.9 -11.6 15.2 81 89 A K H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 114.7 49.1 -62.7 -43.1 10.6 -12.2 11.8 82 90 A F H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.893 111.2 49.3 -65.0 -41.2 13.4 -9.8 12.7 83 91 A M H < S+ 0 0 20 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.899 112.3 48.5 -63.5 -42.3 14.0 -11.4 16.1 84 92 A D H >< S+ 0 0 94 -4,-2.4 3,-1.3 -5,-0.2 4,-0.2 0.922 112.4 48.3 -61.3 -46.1 14.1 -14.8 14.5 85 93 A A H 3< S+ 0 0 80 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.761 115.2 45.7 -63.9 -28.8 16.6 -13.5 11.8 86 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.5 1,-0.2 -1,-0.2 0.201 81.1 109.2 -97.6 11.7 18.7 -11.9 14.6 87 95 A A T <4 S+ 0 0 48 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.803 78.3 45.5 -61.3 -36.1 18.7 -15.0 16.9 88 96 A L T 4 S+ 0 0 169 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.843 129.5 23.4 -79.0 -32.1 22.3 -16.1 16.5 89 97 A T T 4 S- 0 0 114 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.737 103.1-129.1-101.8 -31.4 23.8 -12.5 16.9 90 98 A G < - 0 0 13 -4,-3.5 -3,-0.1 -7,-0.2 91,-0.1 0.219 32.2 -76.1 84.9 148.3 21.1 -10.7 18.9 91 99 A I - 0 0 13 89,-0.5 5,-0.1 1,-0.1 92,-0.0 -0.643 61.7-103.1 -71.5 130.0 19.5 -7.3 18.0 92 100 A P >> - 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.250 25.8-120.6 -57.6 140.8 22.1 -4.6 18.9 93 101 A L H 3> S+ 0 0 69 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.864 111.2 57.0 -52.8 -41.7 21.3 -2.8 22.1 94 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 180,-0.4 0.875 110.1 45.5 -60.5 -33.1 21.1 0.6 20.4 95 103 A L H <> S+ 0 0 6 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.914 111.1 51.8 -75.6 -41.6 18.4 -0.7 18.1 96 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.947 112.7 47.4 -54.5 -46.4 16.5 -2.4 20.9 97 105 A K H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.911 111.2 49.8 -64.3 -44.7 16.6 0.9 22.8 98 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.921 112.9 47.3 -59.0 -47.4 15.4 2.9 19.7 99 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.931 112.6 48.2 -63.0 -43.6 12.6 0.4 19.1 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 112.4 50.0 -62.5 -42.7 11.5 0.5 22.8 101 109 A F H X S+ 0 0 54 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.943 112.1 46.7 -60.9 -45.8 11.6 4.4 22.8 102 110 A Q H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 112.0 50.5 -65.1 -40.5 9.5 4.6 19.6 103 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.900 108.9 51.7 -67.7 -37.0 6.9 2.1 20.9 104 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.855 107.8 53.1 -65.0 -35.3 6.6 4.1 24.1 105 113 A Q H X S+ 0 0 62 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 110.4 47.2 -64.1 -44.5 6.0 7.2 22.1 106 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.929 114.4 46.5 -60.4 -43.7 3.2 5.5 20.2 107 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.915 108.4 54.7 -67.7 -41.5 1.7 4.2 23.4 108 116 A A H X S+ 0 0 23 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.919 111.1 48.0 -55.3 -43.1 2.0 7.6 25.1 109 117 A F H X S+ 0 0 48 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.970 115.3 41.4 -60.7 -56.9 0.0 9.0 22.2 110 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.2 0.921 114.6 51.4 -57.8 -47.3 -2.7 6.4 22.2 111 119 A H H ><5S+ 0 0 27 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.847 103.3 59.4 -61.4 -33.2 -3.0 6.3 26.0 112 120 A S H 3<5S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.721 107.6 47.0 -65.3 -24.5 -3.4 10.2 26.0 113 121 A H T <<5S- 0 0 85 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.178 121.4-112.0 -97.9 12.1 -6.5 9.7 23.8 114 122 A R T < 5S+ 0 0 182 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.764 73.7 136.6 60.5 32.3 -7.7 6.9 26.2 115 123 A V < - 0 0 18 -5,-2.2 2,-0.3 -8,-0.1 -1,-0.2 -0.947 36.1-163.0-111.1 130.3 -7.2 4.2 23.5 116 124 A L - 0 0 16 -2,-0.5 23,-0.6 1,-0.1 26,-0.3 -0.760 18.3-152.8-108.8 152.0 -5.6 0.9 24.5 117 125 A H - 0 0 3 -2,-0.3 24,-0.6 21,-0.2 -1,-0.1 0.934 20.6-175.0 -83.9 -55.2 -4.0 -1.7 22.2 118 126 A R + 0 0 54 48,-0.1 -1,-0.1 23,-0.1 20,-0.1 0.092 69.4 55.7 81.1 -15.2 -4.7 -4.8 24.6 119 127 A D + 0 0 30 18,-0.1 2,-0.2 34,-0.1 5,-0.1 -0.190 64.7 163.6-143.3 50.0 -2.9 -7.3 22.4 120 128 A L + 0 0 1 32,-0.2 32,-0.1 3,-0.1 17,-0.0 -0.473 14.2 143.8 -69.5 138.8 0.7 -6.2 21.9 121 129 A K > - 0 0 16 -2,-0.2 3,-2.1 30,-0.0 -42,-0.2 -0.946 64.6 -93.4-165.9 160.0 3.0 -8.9 20.6 122 130 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -43,-1.2 0.826 119.7 64.2 -54.6 -34.3 5.9 -9.1 18.2 123 131 A Q G 3 S+ 0 0 78 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.704 104.1 47.1 -62.7 -22.6 3.6 -10.1 15.3 124 132 A N G < S+ 0 0 10 -3,-2.1 12,-3.0 -5,-0.1 2,-0.5 0.202 91.9 88.6-112.9 30.2 1.8 -6.7 15.6 125 133 A L E < - G 0 135B 0 -3,-1.6 -46,-2.5 10,-0.2 2,-0.4 -0.981 64.7-164.3-119.3 114.3 5.0 -4.6 15.7 126 134 A L E -FG 78 134B 32 8,-2.6 8,-2.5 -2,-0.5 2,-0.3 -0.839 2.9-161.1-109.3 141.8 6.1 -3.7 12.1 127 135 A I E -FG 77 133B 1 -50,-2.5 -50,-0.9 -2,-0.4 -51,-0.2 -0.873 2.5-159.5-123.0 153.3 9.4 -2.4 11.0 128 136 A N > - 0 0 38 4,-1.7 3,-1.2 -2,-0.3 -53,-0.1 -0.733 37.5-101.1-123.7 174.4 10.8 -0.5 8.0 129 137 A T T 3 S+ 0 0 92 1,-0.2 151,-0.1 -2,-0.2 -2,-0.0 0.670 113.6 66.1 -66.6 -20.9 14.3 -0.0 6.4 130 138 A E T 3 S- 0 0 133 147,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.419 120.2 -98.9 -82.8 -6.6 14.6 3.5 7.9 131 139 A G S < S+ 0 0 0 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.482 78.4 137.1 97.7 6.6 14.7 2.3 11.5 132 140 A A - 0 0 11 143,-0.1 -4,-1.7 -30,-0.0 2,-0.3 -0.514 34.1-165.5 -83.6 153.2 11.1 2.9 12.4 133 141 A I E - G 0 127B 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.985 10.8-167.0-134.6 139.9 8.9 0.5 14.3 134 142 A K E - G 0 126B 29 -8,-2.5 -8,-2.6 -2,-0.3 2,-0.5 -0.977 23.1-118.8-136.4 145.4 5.0 0.9 14.5 135 143 A L E -eG 55 125B 0 -81,-2.7 -79,-2.6 -2,-0.3 2,-0.3 -0.709 33.4-160.2 -80.9 123.8 2.1 -0.5 16.4 136 144 A A + 0 0 11 -12,-3.0 -79,-0.1 -2,-0.5 -12,-0.0 -0.827 65.3 20.7-109.4 151.1 -0.4 -2.5 14.3 137 145 A D S > S+ 0 0 29 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 0.746 79.2 179.3 67.4 31.2 -4.0 -3.4 15.0 138 146 A F T 3 + 0 0 10 -3,-0.3 -1,-0.2 1,-0.2 -21,-0.2 -0.436 64.5 2.4 -67.7 128.3 -4.3 -0.6 17.6 139 147 A G T >> S+ 0 0 0 -23,-0.6 4,-1.4 -2,-0.1 3,-0.5 0.257 93.7 113.8 81.0 -8.6 -7.8 -0.3 19.2 140 148 A L H <> + 0 0 1 -3,-1.2 4,-2.5 1,-0.2 -2,-0.1 0.734 68.4 64.4 -67.4 -24.2 -9.3 -3.4 17.3 141 149 A A H 34 S+ 0 0 29 -24,-0.6 -1,-0.2 -4,-0.4 -23,-0.1 0.883 105.6 42.9 -69.9 -33.0 -9.7 -5.4 20.6 142 150 A R H <4 S+ 0 0 147 -3,-0.5 -1,-0.2 -26,-0.3 -2,-0.2 0.863 115.5 51.5 -72.0 -39.7 -12.2 -2.8 22.0 143 151 A A H < 0 0 12 -4,-1.4 -2,-0.2 -100,-0.1 -1,-0.2 0.889 360.0 360.0 -65.8 -42.0 -14.0 -2.7 18.6 144 152 A F < 0 0 84 -4,-2.5 -3,-0.1 -104,-0.1 -4,-0.0 0.348 360.0 360.0-117.7 360.0 -14.3 -6.5 18.2 145 ! 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 0.0 146 162 A E 0 0 209 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.4 -4.9 -20.6 15.6 147 163 A V - 0 0 139 1,-0.0 2,-0.2 0, 0.0 3,-0.0 -0.691 360.0-121.8 -83.9 130.3 -4.5 -20.2 19.4 148 164 A V - 0 0 69 -2,-0.4 2,-0.2 1,-0.1 -1,-0.0 -0.513 35.5-112.0 -72.0 135.1 -4.2 -16.5 20.5 149 165 A T - 0 0 29 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.464 27.0-170.6 -74.6 138.2 -0.9 -16.1 22.4 150 166 A L > + 0 0 22 39,-0.5 3,-1.9 -2,-0.2 -1,-0.1 0.434 58.9 103.9-101.3 -2.2 -1.0 -15.4 26.1 151 167 A W T 3 S+ 0 0 88 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.708 87.1 37.1 -58.8 -28.1 2.7 -14.7 26.5 152 168 A Y T 3 S+ 0 0 13 -3,-0.2 2,-0.3 -32,-0.1 -1,-0.3 0.243 85.8 127.3-109.5 11.2 2.3 -10.9 26.7 153 169 A R < - 0 0 67 -3,-1.9 -34,-0.1 1,-0.1 16,-0.1 -0.546 60.9-119.1 -79.2 130.3 -0.9 -10.8 28.7 154 170 A A >> - 0 0 0 -2,-0.3 4,-1.8 14,-0.1 3,-0.9 -0.290 20.1-119.3 -65.6 150.4 -0.9 -8.7 31.9 155 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.844 111.2 61.0 -65.1 -32.5 -1.6 -10.4 35.2 156 172 A E H 34>S+ 0 0 2 2,-0.2 5,-2.6 1,-0.2 4,-0.2 0.849 105.7 48.3 -61.9 -33.4 -4.7 -8.3 36.0 157 173 A I H X45S+ 0 0 33 -3,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.957 111.7 48.4 -70.1 -46.3 -6.3 -9.7 32.8 158 174 A L H 3<5S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.794 109.7 54.3 -60.4 -30.8 -5.3 -13.3 33.7 159 175 A L T 3<5S- 0 0 1 -4,-2.1 60,-2.6 -5,-0.2 61,-0.4 0.394 125.0 -99.7 -87.3 1.1 -6.8 -12.7 37.2 160 176 A G T < 5 + 0 0 23 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.613 63.4 156.2 97.7 15.9 -10.2 -11.6 35.8 161 177 A C < - 0 0 40 -5,-2.6 3,-0.3 1,-0.2 -1,-0.3 -0.620 16.3-177.0 -70.3 121.2 -10.1 -7.8 35.9 162 178 A K S S+ 0 0 70 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.656 77.3 55.8 -93.9 -17.6 -12.6 -6.8 33.2 163 179 A Y S S+ 0 0 220 -6,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.528 78.9 160.6-115.0 59.3 -12.0 -3.0 33.7 164 180 A Y - 0 0 69 -2,-0.3 2,-0.1 -3,-0.3 -2,-0.0 -0.291 25.5-133.5 -81.9 165.8 -8.2 -2.9 33.1 165 181 A S > - 0 0 47 -2,-0.1 3,-2.2 1,-0.0 4,-0.3 -0.426 35.4 -78.5-114.0-177.9 -6.2 0.1 32.1 166 182 A T T >> S+ 0 0 51 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.726 113.5 81.6 -58.3 -22.1 -3.5 1.4 29.8 167 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.748 75.7 71.7 -57.2 -26.0 -1.0 -0.4 32.1 168 184 A V H <> S+ 0 0 1 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.864 97.2 49.4 -61.2 -34.9 -1.8 -3.7 30.3 169 185 A D H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 -1,-0.2 0.857 107.2 54.1 -73.1 -32.5 0.1 -2.4 27.2 170 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.908 107.9 50.9 -64.9 -43.2 3.1 -1.4 29.3 171 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.961 111.2 47.7 -56.6 -51.9 3.3 -4.9 30.7 172 188 A S H X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.917 112.0 49.7 -58.2 -44.8 3.2 -6.4 27.1 173 189 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.882 107.9 53.9 -64.3 -35.2 5.9 -4.0 26.0 174 190 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 76,-0.2 -1,-0.2 0.923 107.8 50.6 -62.7 -43.1 8.1 -4.9 29.0 175 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 11,-0.4 0.889 111.8 48.2 -59.4 -41.8 7.7 -8.6 28.0 176 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.907 109.0 52.9 -68.6 -41.3 8.8 -7.8 24.4 177 193 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.956 109.3 49.2 -56.0 -48.9 11.7 -5.7 25.6 178 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.890 110.6 51.4 -59.5 -40.3 13.0 -8.6 27.7 179 195 A E H X S+ 0 0 26 -4,-1.8 4,-2.1 1,-0.2 5,-0.4 0.877 106.9 52.1 -68.4 -36.6 12.6 -10.9 24.7 180 196 A M H < S+ 0 0 4 -4,-2.3 -89,-0.5 1,-0.2 -1,-0.2 0.910 114.5 44.6 -61.9 -42.9 14.6 -8.6 22.4 181 197 A V H < S+ 0 0 18 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 124.4 30.0 -67.1 -50.3 17.4 -8.6 25.0 182 198 A T H < S- 0 0 46 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.622 95.4-128.9 -88.4 -17.3 17.6 -12.3 25.8 183 199 A R S < S+ 0 0 133 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.1 0.717 80.9 86.3 70.8 26.5 16.4 -13.8 22.6 184 200 A R S S- 0 0 194 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.986 88.9 -97.0-151.5 143.6 13.8 -15.9 24.3 185 201 A A - 0 0 18 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.330 27.9-140.5 -60.7 145.2 10.3 -15.2 25.4 186 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.950 90.7 11.8 -74.1 -48.5 10.0 -14.1 29.0 187 203 A F + 0 0 4 -36,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.701 68.8 179.9-132.0 77.5 6.8 -16.0 29.9 188 204 A P + 0 0 39 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.326 17.3 174.8 -83.8 64.8 5.8 -18.5 27.2 189 205 A G - 0 0 3 -2,-2.0 -39,-0.5 1,-0.1 -38,-0.2 -0.331 26.3-163.6 -72.1 147.9 2.6 -19.9 28.8 190 206 A D S S+ 0 0 136 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.160 77.3 23.7-116.2 13.4 0.5 -22.4 26.9 191 207 A S S > S- 0 0 48 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.936 89.8-100.6-162.9 164.9 -2.6 -22.0 29.1 192 208 A E H > S+ 0 0 104 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.912 123.3 44.3 -63.5 -40.7 -3.9 -19.3 31.4 193 209 A I H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.878 112.7 51.4 -72.6 -34.4 -2.7 -21.0 34.5 194 210 A D H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 111.6 49.0 -64.7 -39.9 0.6 -21.9 33.0 195 211 A Q H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.952 113.1 46.0 -62.9 -49.4 1.0 -18.2 32.0 196 212 A L H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 114.1 47.5 -60.8 -45.7 0.1 -17.0 35.5 197 213 A F H X S+ 0 0 40 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.838 107.8 55.3 -71.4 -26.3 2.4 -19.5 37.2 198 214 A R H X S+ 0 0 91 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.915 110.0 47.7 -67.7 -40.5 5.3 -18.7 34.9 199 215 A I H >X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-0.6 0.948 112.7 48.6 -60.7 -48.1 4.9 -15.0 35.9 200 216 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.858 105.7 57.0 -63.3 -37.3 4.7 -16.0 39.6 201 217 A R H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 118.3 33.1 -65.5 -26.7 7.9 -18.2 39.4 202 218 A T H << S+ 0 0 21 -4,-1.2 28,-3.0 -3,-0.6 -2,-0.2 0.883 131.6 28.2 -92.8 -51.8 9.9 -15.2 38.1 203 219 A L H < S- 0 0 5 -4,-3.0 26,-0.3 26,-0.2 -3,-0.2 0.510 114.0-103.8 -92.4 -4.4 8.3 -12.2 39.9 204 220 A G < - 0 0 7 -4,-2.0 24,-0.2 24,-0.4 -1,-0.2 0.163 44.7 -68.7 92.0 147.3 7.1 -13.9 43.0 205 221 A T - 0 0 22 22,-2.2 24,-0.1 -4,-0.1 21,-0.0 -0.545 63.7-117.6 -65.7 127.4 3.5 -14.9 43.8 206 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.351 39.3 174.6 -72.8 151.4 1.7 -11.6 44.3 207 223 A D > - 0 0 72 -2,-0.0 4,-2.4 -3,-0.0 7,-0.2 -0.802 49.3 -83.1-142.0 178.7 0.2 -10.8 47.7 208 224 A E T 4 S+ 0 0 79 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.743 121.0 62.2 -63.5 -22.4 -1.5 -7.8 49.4 209 225 A V T 4 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.955 117.1 25.7 -67.0 -53.8 1.8 -6.3 50.3 210 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.745 137.9 27.2 -83.4 -23.8 3.0 -5.8 46.6 211 227 A W S >< S- 0 0 12 -4,-2.4 3,-2.6 42,-0.1 4,-0.3 -0.673 77.9-150.5-142.5 81.6 -0.5 -5.6 45.1 212 228 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.295 86.9 21.1 -55.4 132.6 -3.3 -4.3 47.4 213 229 A G T > S+ 0 0 35 4,-0.0 3,-1.7 0, 0.0 4,-0.3 0.171 87.1 117.0 90.9 -9.3 -6.6 -5.9 46.3 214 230 A V G X S+ 0 0 0 -3,-2.6 3,-1.6 1,-0.3 6,-0.1 0.853 70.6 57.4 -56.5 -41.3 -5.0 -8.9 44.4 215 231 A T G 3 S+ 0 0 57 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.580 104.6 52.7 -69.5 -12.7 -6.5 -11.5 46.8 216 232 A S G < S+ 0 0 106 -3,-1.7 -1,-0.3 5,-0.1 -2,-0.2 0.351 81.4 121.2-100.0 2.6 -10.0 -10.3 46.0 217 233 A M S X S- 0 0 27 -3,-1.6 3,-1.5 -4,-0.3 -57,-0.1 -0.319 75.9-109.1 -70.5 153.9 -9.7 -10.5 42.2 218 234 A P T 3 S+ 0 0 88 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.822 113.8 30.7 -54.3 -43.6 -12.1 -12.8 40.4 219 235 A D T 3 S+ 0 0 80 -60,-2.6 2,-0.2 2,-0.1 -59,-0.2 0.304 89.2 121.8-102.9 13.0 -9.8 -15.6 39.4 220 236 A Y < - 0 0 38 -3,-1.5 -5,-0.0 -61,-0.4 3,-0.0 -0.523 43.5-165.8 -73.6 137.9 -7.4 -15.3 42.4 221 237 A K > - 0 0 107 -2,-0.2 3,-2.4 1,-0.1 -5,-0.1 -0.990 24.1-144.9-127.5 127.3 -7.2 -18.5 44.4 222 238 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 100.5 68.0 -59.0 -20.9 -5.7 -18.7 48.0 223 239 A S T 3 + 0 0 105 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.425 69.9 123.5 -78.7 0.7 -4.4 -22.1 46.9 224 240 A F S < S- 0 0 13 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.415 74.1-104.5 -58.5 138.3 -1.9 -20.6 44.4 225 241 A P - 0 0 52 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.302 28.8-123.3 -63.1 152.7 1.6 -21.8 45.2 226 242 A K + 0 0 188 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.868 34.5 179.9-105.0 100.8 3.9 -19.2 46.9 227 243 A W - 0 0 77 -2,-0.8 -22,-2.2 -27,-0.1 2,-0.2 -0.828 26.3-120.2-100.0 143.8 7.1 -18.7 44.8 228 244 A A - 0 0 87 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.516 34.1-102.9 -80.4 150.1 9.8 -16.3 45.8 229 245 A R - 0 0 121 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.509 31.4-136.9 -71.3 144.2 10.8 -13.5 43.4 230 246 A Q - 0 0 63 -28,-3.0 2,-0.2 -2,-0.2 -1,-0.0 -0.675 24.8-102.5 -95.2 156.8 14.0 -13.8 41.3 231 247 A D >> - 0 0 118 -2,-0.2 3,-1.8 1,-0.1 4,-1.0 -0.524 21.7-130.8 -74.5 144.9 16.6 -11.0 40.7 232 248 A F H 3> S+ 0 0 22 1,-0.3 4,-2.7 -2,-0.2 -1,-0.1 0.739 106.2 70.6 -65.0 -24.2 16.4 -9.2 37.3 233 249 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.805 104.4 42.5 -62.2 -28.2 20.1 -9.7 37.0 234 250 A K H <4 S+ 0 0 149 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.766 115.8 49.4 -81.5 -32.1 19.2 -13.4 36.5 235 251 A V H < S+ 0 0 25 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.872 123.3 20.8 -81.1 -41.6 16.2 -12.8 34.2 236 252 A V S >< S- 0 0 0 -4,-2.7 3,-2.5 3,-0.1 -1,-0.2 -0.191 84.1-166.9-127.0 46.2 17.6 -10.4 31.6 237 253 A P T 3 + 0 0 73 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.435 69.1 26.0 -66.1 141.7 21.4 -10.6 31.5 238 254 A P T 3 S+ 0 0 119 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.688 87.5 121.9-105.2 41.2 23.4 -8.6 30.1 239 255 A L < - 0 0 7 -3,-2.5 -3,-0.1 -6,-0.1 -61,-0.0 -0.420 62.5-120.4 -65.5 137.3 21.0 -5.7 30.3 240 256 A D > - 0 0 60 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.154 28.9 -95.4 -73.4 172.4 22.5 -2.8 32.3 241 257 A E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.812 123.9 53.5 -64.4 -31.3 21.1 -1.3 35.5 242 258 A D H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.944 112.5 44.4 -66.1 -46.2 19.2 1.4 33.7 243 259 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.918 114.2 49.1 -62.4 -43.1 17.5 -1.1 31.5 244 260 A R H X S+ 0 0 63 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.905 110.8 51.1 -63.6 -41.7 16.8 -3.5 34.4 245 261 A S H X S+ 0 0 32 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.952 113.0 45.2 -59.4 -48.3 15.3 -0.6 36.5 246 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.945 113.3 49.7 -61.5 -50.3 13.0 0.4 33.6 247 263 A L H X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.909 108.0 53.7 -55.2 -45.2 12.0 -3.2 32.9 248 264 A S H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.874 109.4 49.0 -58.7 -36.0 11.2 -3.8 36.6 249 265 A Q H >< S+ 0 0 62 -4,-1.7 10,-2.0 -3,-0.3 3,-0.6 0.778 109.2 51.5 -74.8 -29.0 8.9 -0.7 36.6 250 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -1,-0.2 0.679 112.3 48.7 -76.8 -20.1 7.1 -1.9 33.4 251 267 A L T 3< S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.141 75.8 137.7-108.3 18.4 6.6 -5.3 35.2 252 268 A H < - 0 0 66 -3,-0.6 6,-0.1 1,-0.1 -3,-0.1 -0.387 53.3-136.6 -61.8 140.9 5.2 -4.1 38.5 253 269 A Y S S+ 0 0 12 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.945 87.5 72.6 -63.3 -52.7 2.2 -6.3 39.5 254 270 A D S >> S- 0 0 16 -44,-0.5 4,-1.6 1,-0.2 3,-1.5 -0.570 75.6-148.2 -68.3 117.5 -0.0 -3.4 40.7 255 271 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.791 98.7 58.1 -57.7 -26.5 -1.2 -1.6 37.5 256 272 A N T 34 S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.769 109.2 42.8 -73.4 -27.4 -1.3 1.6 39.5 257 273 A K T <4 S+ 0 0 100 -3,-1.5 -1,-0.2 2,-0.1 -5,-0.1 0.658 90.5 106.9 -85.2 -26.3 2.4 1.3 40.4 258 274 A R S < S- 0 0 13 -4,-1.6 -8,-0.2 -6,-0.1 -9,-0.1 -0.328 82.5-102.4 -59.4 138.0 3.4 0.2 36.8 259 275 A I - 0 0 19 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.295 32.4-126.2 -62.1 144.1 5.2 3.0 34.9 260 276 A S > - 0 0 63 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.497 21.4-113.6 -83.0 164.0 3.3 5.0 32.3 261 277 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -153,-0.2 0.924 117.6 52.0 -62.0 -42.7 4.5 5.4 28.8 262 278 A K H > S+ 0 0 168 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.914 112.2 44.3 -62.9 -43.8 5.0 9.1 29.3 263 279 A A H >4 S+ 0 0 50 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.883 109.0 58.2 -68.5 -34.5 7.1 8.6 32.4 264 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 6,-0.2 0.872 97.2 62.0 -63.1 -34.4 9.1 5.7 30.8 265 281 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.769 102.4 51.4 -60.9 -27.1 10.2 8.2 28.0 266 282 A A T << S+ 0 0 85 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.408 84.0 123.1 -88.2 -0.5 12.0 10.3 30.7 267 283 A H S X S- 0 0 19 -3,-1.9 3,-2.3 -4,-0.2 4,-0.2 -0.340 73.6-120.7 -67.5 143.4 13.8 7.3 32.1 268 284 A P G > S+ 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.737 106.0 77.9 -57.0 -20.4 17.7 7.5 32.2 269 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.832 95.3 50.0 -56.0 -29.0 17.9 4.4 29.9 270 286 A F G X S+ 0 0 10 -3,-2.3 3,-1.9 -6,-0.2 -1,-0.3 0.394 76.2 102.9 -94.6 7.9 17.0 6.7 27.0 271 287 A Q T < S+ 0 0 177 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.820 94.5 32.7 -58.0 -32.7 19.6 9.4 27.8 272 288 A D T 3 S+ 0 0 100 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.029 87.5 148.7-113.5 28.3 21.8 8.0 24.9 273 289 A V < + 0 0 43 -3,-1.9 2,-0.2 -176,-0.1 -178,-0.1 -0.312 17.0 170.7 -66.5 143.7 19.0 6.9 22.6 274 290 A T - 0 0 80 -180,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.806 36.6-114.0-137.9 179.6 19.7 7.0 18.8 275 291 A K - 0 0 127 -2,-0.2 -180,-0.1 -177,-0.0 -143,-0.1 -0.727 37.0-174.1-125.7 82.7 17.9 5.8 15.7 276 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.333 28.2-113.8 -72.9 162.4 20.0 3.1 14.0 277 293 A V - 0 0 113 -146,-0.0 -147,-0.1 1,-0.0 2,-0.1 -0.810 35.3-129.4 -91.0 126.6 19.3 1.5 10.6 278 294 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 -147,-0.0 -0.426 14.7-116.2 -76.0 159.3 18.4 -2.2 10.9 279 295 A H 0 0 95 -2,-0.1 -150,-0.0 0, 0.0 0, 0.0 -0.835 360.0 360.0 -94.3 98.8 20.1 -5.0 8.9 280 296 A L 0 0 99 -2,-1.0 -198,-0.0 -151,-0.1 -151,-0.0 -0.934 360.0 360.0-103.5 360.0 17.1 -6.3 6.9