==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-AUG-13 4M7N . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.K.WERNIMONT,J.D.ARTZ,M.EL BAKKOURI,M.SCHAPIRA,A.M.EDWARDS, . 472 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.4 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 2 3 0 1 2 0 3 2 1 3 0 1 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 . 2 3 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 32 A L 0 0 66 0, 0.0 2,-0.6 0, 0.0 434,-0.1 0.000 360.0 360.0 360.0 83.8 28.6 13.0 -21.4 2 33 A H - 0 0 115 432,-0.2 2,-0.4 382,-0.1 382,-0.3 -0.784 360.0-148.1 -88.2 119.8 27.9 9.8 -19.5 3 34 A A + 0 0 0 380,-2.0 382,-0.1 -2,-0.6 431,-0.1 -0.770 24.2 167.1 -86.7 133.4 24.4 9.7 -17.9 4 35 A T > - 0 0 43 -2,-0.4 3,-1.2 1,-0.1 4,-0.4 -0.972 46.8-118.5-134.1 156.7 24.0 7.8 -14.6 5 36 A P G > S+ 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.870 111.4 66.0 -58.9 -30.9 21.1 7.7 -12.1 6 37 A G G > S+ 0 0 4 65,-0.6 3,-1.3 1,-0.3 4,-0.4 0.750 85.2 70.4 -66.0 -22.0 23.6 9.2 -9.5 7 38 A M G < S+ 0 0 29 -3,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.788 96.4 52.5 -69.1 -19.9 23.9 12.5 -11.3 8 39 A F G <> S+ 0 0 1 -3,-1.6 4,-0.5 -4,-0.4 3,-0.4 0.584 86.9 87.7 -84.2 -9.2 20.3 13.4 -10.3 9 40 A V T <4 S+ 0 0 1 -3,-1.3 75,-2.0 -4,-0.3 3,-0.2 0.881 104.5 16.4 -65.5 -45.8 20.8 12.8 -6.6 10 41 A Q T 4 S+ 0 0 73 -4,-0.4 -1,-0.3 73,-0.2 -2,-0.1 0.211 102.1 99.6-109.2 11.2 22.1 16.2 -5.4 11 42 A H T 4 + 0 0 23 -3,-0.4 -2,-0.1 -4,-0.1 -1,-0.1 0.760 51.2 99.6 -77.9 -25.6 21.0 18.1 -8.5 12 43 A S < - 0 0 24 -4,-0.5 404,-0.1 -3,-0.2 72,-0.1 -0.329 51.8-162.9 -62.9 144.5 17.7 19.7 -7.3 13 44 A T + 0 0 95 2,-0.1 -1,-0.2 403,-0.1 403,-0.1 0.346 60.9 106.0 -99.7 1.1 17.9 23.4 -6.3 14 45 A A S S- 0 0 21 1,-0.1 2,-0.3 2,-0.1 5,-0.0 -0.324 76.7-109.6 -76.6 161.5 14.6 23.0 -4.5 15 46 A I > - 0 0 98 1,-0.1 3,-1.4 70,-0.1 4,-0.4 -0.653 29.7-114.7 -85.1 151.0 14.1 22.8 -0.7 16 47 A F G >> S+ 0 0 27 -2,-0.3 3,-2.0 1,-0.3 4,-2.0 0.891 113.2 55.1 -50.8 -47.0 13.0 19.5 0.7 17 48 A S G 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.623 101.7 59.0 -71.6 -14.4 9.6 20.7 2.0 18 49 A D G <4 S+ 0 0 92 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.499 116.7 32.7 -83.5 -8.7 8.7 22.0 -1.5 19 50 A R T <4 S+ 0 0 26 -3,-2.0 21,-2.9 -4,-0.4 22,-0.4 0.607 118.6 43.1-119.7 -23.9 9.1 18.4 -2.9 20 51 A Y E < -A 39 0A 9 -4,-2.0 2,-0.5 19,-0.3 -1,-0.3 -0.979 55.4-157.7-134.5 141.7 8.1 16.0 -0.1 21 52 A K E -A 38 0A 133 17,-2.3 17,-2.7 -2,-0.4 2,-0.1 -0.983 26.3-126.6-116.1 125.2 5.2 15.8 2.4 22 53 A G E +A 37 0A 42 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.396 31.4 169.0 -68.1 140.8 5.8 13.8 5.6 23 54 A Q E - 0 0 86 13,-3.2 2,-0.1 1,-0.4 -1,-0.1 0.263 54.0 -17.3-110.4-111.3 3.3 11.0 6.5 24 55 A R E S- 0 0 148 1,-0.1 12,-2.9 11,-0.0 -1,-0.4 -0.436 70.4 -97.9 -94.8 164.7 4.0 8.5 9.3 25 56 A V E -A 35 0A 63 10,-0.2 2,-0.4 -2,-0.1 10,-0.3 -0.459 39.1-149.5 -75.0 162.3 7.3 7.5 11.0 26 57 A L + 0 0 44 8,-2.4 8,-0.3 22,-0.1 3,-0.3 -0.970 43.8 13.5-135.9 143.5 9.0 4.4 9.7 27 58 A G S S- 0 0 75 -2,-0.4 7,-0.1 1,-0.2 -2,-0.0 -0.110 79.7 -83.5 88.9 178.2 11.2 1.7 11.3 28 59 A K S S+ 0 0 107 3,-0.1 -1,-0.2 -2,-0.0 3,-0.1 0.019 89.2 103.2-115.7 22.8 12.2 0.7 14.8 29 60 A G S S- 0 0 63 -3,-0.3 3,-0.1 1,-0.2 5,-0.1 -0.118 87.8 -36.7 -89.8-167.7 15.0 3.3 15.3 30 61 A S S > S- 0 0 80 1,-0.1 3,-1.5 2,-0.1 4,-0.3 -0.271 86.9 -87.4 -51.5 135.1 15.1 6.5 17.3 31 62 A F T 3 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.1 -3,-0.1 -0.192 101.6 1.3 -61.2 133.2 11.7 8.2 16.9 32 63 A G T 3 S+ 0 0 24 2,-0.3 -1,-0.2 -3,-0.1 18,-0.1 0.442 94.2 109.7 78.2 2.9 11.0 10.5 13.9 33 64 A E S < S+ 0 0 85 -3,-1.5 17,-2.9 1,-0.2 2,-0.4 0.759 80.6 41.1 -83.7 -23.3 14.4 10.1 12.3 34 65 A V E S- B 0 49A 40 -4,-0.3 -8,-2.4 -8,-0.3 2,-0.4 -0.997 78.1-177.6-123.1 125.6 13.1 8.0 9.4 35 66 A I E -AB 25 48A 43 13,-2.2 13,-3.2 -2,-0.4 2,-0.5 -0.976 29.5-125.5-129.5 135.3 9.8 9.2 7.9 36 67 A L E - B 0 47A 3 -12,-2.9 -13,-3.2 -2,-0.4 2,-0.3 -0.737 42.0-177.1 -76.2 123.7 7.5 7.9 5.1 37 68 A C E -AB 22 46A 2 9,-2.9 9,-2.2 -2,-0.5 2,-0.5 -0.855 23.2-134.5-124.5 159.9 7.0 10.8 2.7 38 69 A K E -AB 21 45A 75 -17,-2.7 -17,-2.3 -2,-0.3 2,-0.4 -0.948 24.4-119.9-113.9 133.6 5.1 11.5 -0.4 39 70 A D E > -A 20 0A 2 5,-3.0 4,-2.1 -2,-0.5 -19,-0.3 -0.574 24.1-143.0 -65.2 122.9 6.6 13.2 -3.5 40 71 A K T 4 S+ 0 0 110 -21,-2.9 -1,-0.2 -2,-0.4 -20,-0.1 0.785 94.1 38.8 -64.3 -27.1 4.3 16.3 -3.8 41 72 A I T 4 S+ 0 0 30 -22,-0.4 -1,-0.2 3,-0.1 370,-0.1 0.887 129.4 23.7 -91.0 -44.8 4.4 16.1 -7.6 42 73 A T T 4 S- 0 0 34 2,-0.1 -2,-0.2 366,-0.1 3,-0.1 0.635 91.3-126.8 -97.6 -16.8 4.2 12.4 -8.5 43 74 A G < + 0 0 29 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.375 55.0 154.7 81.3 -5.0 2.6 10.9 -5.3 44 75 A Q - 0 0 24 -6,-0.1 -5,-3.0 1,-0.1 -1,-0.3 -0.345 39.6-132.9 -58.9 127.6 5.6 8.4 -5.0 45 76 A E E +B 38 0A 80 -7,-0.2 52,-0.4 -3,-0.1 2,-0.3 -0.597 32.7 168.0 -82.3 144.2 6.2 7.2 -1.5 46 77 A C E -B 37 0A 1 -9,-2.2 -9,-2.9 -2,-0.2 2,-0.5 -0.946 36.0-113.7-151.1 165.3 9.7 7.2 -0.1 47 78 A A E -BC 36 95A 7 48,-2.7 48,-3.1 -2,-0.3 2,-0.5 -0.944 30.2-160.7-108.1 124.8 11.6 6.8 3.2 48 79 A V E -BC 35 94A 1 -13,-3.2 -13,-2.2 -2,-0.5 2,-0.7 -0.935 8.3-156.9-111.6 120.9 13.4 9.9 4.4 49 80 A K E -BC 34 93A 79 44,-2.8 44,-2.8 -2,-0.5 2,-0.6 -0.873 14.3-158.3 -92.6 120.6 16.3 9.8 6.9 50 81 A V E - C 0 92A 29 -17,-2.9 2,-0.5 -2,-0.7 42,-0.2 -0.909 8.1-170.4-104.0 119.1 16.5 13.2 8.5 51 82 A I E - C 0 91A 20 40,-2.9 40,-2.8 -2,-0.6 2,-0.3 -0.952 14.4-140.8-114.2 123.8 19.8 13.9 10.1 52 83 A S E >> - C 0 90A 40 -2,-0.5 3,-1.4 38,-0.2 4,-0.7 -0.627 15.6-130.3 -82.9 146.1 20.2 17.0 12.2 53 84 A K T 34 S+ 0 0 68 36,-2.4 3,-0.2 1,-0.3 37,-0.1 0.732 109.5 67.9 -68.6 -21.1 23.4 18.9 11.9 54 85 A R T 34 S+ 0 0 104 35,-0.4 -1,-0.3 1,-0.2 36,-0.1 0.802 101.9 47.9 -58.0 -31.7 23.6 18.8 15.7 55 86 A Q T <4 0 0 74 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.590 360.0 360.0 -91.5 -15.3 24.1 15.0 15.2 56 87 A V < 0 0 56 -4,-0.7 4,-0.5 -3,-0.2 3,-0.3 0.325 360.0 360.0-131.7 360.0 26.8 15.3 12.5 57 ! 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 58 91 A T > 0 0 115 0, 0.0 4,-1.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -52.0 34.4 14.8 9.3 59 92 A D H > + 0 0 88 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.867 360.0 47.5 -74.8 -42.9 31.0 13.4 10.2 60 93 A K H > S+ 0 0 44 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.935 112.7 50.0 -58.7 -48.7 29.7 15.7 7.4 61 94 A E H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 110.2 49.5 -53.9 -43.5 32.5 14.4 5.2 62 95 A S H X S+ 0 0 42 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.864 109.8 50.5 -69.2 -37.8 31.6 10.8 6.0 63 96 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 112.0 48.0 -62.5 -47.1 27.9 11.4 5.2 64 97 A L H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.864 108.5 54.3 -62.2 -37.2 28.8 12.9 1.9 65 98 A R H X S+ 0 0 111 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 108.0 50.6 -62.2 -42.6 31.1 10.0 1.1 66 99 A E H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 110.1 48.5 -60.3 -45.2 28.2 7.6 1.7 67 100 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 110.5 52.6 -59.0 -46.7 26.0 9.6 -0.6 68 101 A Q H X S+ 0 0 65 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.878 109.9 48.3 -60.2 -38.6 28.8 9.5 -3.2 69 102 A L H >< S+ 0 0 6 -4,-2.4 3,-1.0 2,-0.2 -1,-0.2 0.909 110.2 50.0 -67.3 -42.8 29.1 5.7 -2.9 70 103 A L H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 11,-0.2 0.895 105.2 59.4 -61.8 -39.2 25.3 5.2 -3.3 71 104 A K H 3< S+ 0 0 52 -4,-2.5 -65,-0.6 1,-0.3 -1,-0.2 0.688 104.7 51.0 -59.7 -21.5 25.4 7.5 -6.4 72 105 A Q T << S+ 0 0 86 -3,-1.0 2,-0.5 -4,-0.5 -1,-0.3 0.351 99.1 77.1 -97.7 2.9 27.9 5.0 -8.0 73 106 A L < + 0 0 15 -3,-1.7 2,-0.3 -4,-0.1 59,-0.0 -0.966 43.7 167.8-122.7 127.7 25.8 1.8 -7.4 74 107 A D + 0 0 18 -2,-0.5 317,-0.5 6,-0.1 5,-0.1 -0.868 26.9 134.0-135.9 107.0 22.7 0.7 -9.4 75 108 A H > - 0 0 4 3,-0.3 3,-2.0 -2,-0.3 266,-0.1 -0.996 61.9-119.5-156.4 140.1 21.7 -2.9 -8.6 76 109 A P T 3 S+ 0 0 3 0, 0.0 4,-0.1 0, 0.0 264,-0.1 0.713 115.2 45.2 -61.0 -19.4 18.4 -4.7 -7.8 77 110 A N T 3 S+ 0 0 7 47,-0.1 83,-2.5 82,-0.1 2,-0.4 0.168 97.8 83.1-109.1 21.1 19.8 -5.8 -4.4 78 111 A I B < S-e 160 0B 4 -3,-2.0 -3,-0.3 81,-0.2 83,-0.2 -0.978 89.3-100.5-123.1 136.3 21.3 -2.5 -3.3 79 112 A M - 0 0 13 81,-2.7 2,-0.5 -2,-0.4 -4,-0.1 -0.175 36.1-130.0 -52.2 141.7 19.3 0.3 -1.6 80 113 A K - 0 0 24 16,-0.1 16,-2.4 -4,-0.1 2,-0.6 -0.839 12.9-155.4 -98.8 128.2 18.3 3.1 -4.0 81 114 A L E -D 95 0A 6 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.913 10.4-177.1 -99.2 120.9 19.0 6.7 -3.0 82 115 A Y E - 0 0 9 12,-2.4 2,-0.3 -2,-0.6 13,-0.2 0.940 60.9 -16.4 -74.9 -54.1 16.6 9.1 -4.8 83 116 A E E -D 94 0A 5 11,-1.6 11,-2.7 -73,-0.1 2,-0.4 -0.954 46.6-145.7-154.6 160.9 17.9 12.5 -3.5 84 117 A F E -D 93 0A 16 -75,-2.0 2,-0.4 -2,-0.3 9,-0.2 -0.991 20.3-174.3-138.5 121.9 20.0 14.2 -0.9 85 118 A F E -D 92 0A 11 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.906 4.6-167.0-117.4 150.1 19.0 17.7 0.4 86 119 A E E +D 91 0A 113 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -1.000 11.9 166.3-134.6 134.6 20.9 19.9 2.8 87 120 A D - 0 0 62 3,-2.9 -2,-0.0 -2,-0.4 -72,-0.0 -0.766 55.2 -79.9-132.0-173.9 19.6 23.1 4.6 88 121 A K S S+ 0 0 153 -2,-0.2 3,-0.1 1,-0.2 -35,-0.0 0.847 128.1 25.2 -56.9 -37.3 20.8 25.3 7.5 89 122 A G S S+ 0 0 32 1,-0.1 -36,-2.4 -37,-0.1 -35,-0.4 0.653 122.2 17.5-100.9 -18.9 19.6 22.8 10.1 90 123 A Y E -C 52 0A 111 -38,-0.2 -3,-2.9 -37,-0.1 2,-0.4 -0.939 49.8-130.8-152.6 163.0 19.5 19.3 8.5 91 124 A F E -CD 51 86A 4 -40,-2.8 -40,-2.9 -2,-0.3 2,-0.5 -0.948 24.2-156.9-115.5 147.8 20.4 16.7 5.8 92 125 A Y E -CD 50 85A 30 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.7 -0.989 4.6-163.6-128.9 121.4 17.7 14.6 4.2 93 126 A L E -CD 49 84A 7 -44,-2.8 -44,-2.8 -2,-0.5 2,-0.7 -0.923 10.6-160.0-107.9 111.0 18.4 11.3 2.6 94 127 A V E +CD 48 83A 0 -11,-2.7 -12,-2.4 -2,-0.7 -11,-1.6 -0.825 21.2 173.1-101.0 114.1 15.5 10.4 0.4 95 128 A M E -CD 47 81A 35 -48,-3.1 -48,-2.7 -2,-0.7 -14,-0.2 -0.768 41.0 -91.7-121.6 159.4 15.4 6.6 -0.3 96 129 A E - 0 0 12 -16,-2.4 2,-0.4 -2,-0.3 -50,-0.2 -0.495 53.1-118.0 -64.1 135.4 13.3 3.9 -1.9 97 130 A V - 0 0 31 -52,-0.4 2,-0.5 -2,-0.2 -1,-0.1 -0.654 27.4-169.4 -86.8 132.9 11.1 2.6 0.9 98 131 A Y - 0 0 25 -2,-0.4 3,-0.3 1,-0.1 53,-0.2 -0.989 3.8-177.3-119.7 121.7 11.4 -1.1 1.8 99 132 A T + 0 0 63 51,-2.5 52,-0.2 -2,-0.5 51,-0.2 0.255 58.7 87.0-108.0 11.3 8.6 -2.3 4.1 100 133 A G S S- 0 0 13 49,-2.6 50,-0.2 51,-0.2 -1,-0.2 0.437 87.4-126.5 -91.5 2.3 9.5 -5.9 4.9 101 134 A G - 0 0 33 48,-0.4 48,-3.0 -3,-0.3 -1,-0.2 -0.079 41.5 -42.9 79.6 173.4 11.7 -5.2 7.9 102 135 A E B >> -F 148 0B 68 46,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.478 44.2-125.6 -74.9 145.7 15.3 -6.3 8.7 103 136 A L H 3> S+ 0 0 1 44,-2.8 4,-2.4 41,-0.9 42,-0.2 0.844 110.6 70.7 -56.0 -31.7 16.4 -9.8 8.0 104 137 A F H 3> S+ 0 0 67 40,-1.3 4,-2.1 43,-0.3 -1,-0.2 0.894 95.9 50.6 -52.3 -44.2 17.5 -9.7 11.7 105 138 A D H <4 S+ 0 0 74 -3,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.874 107.1 51.6 -68.7 -34.8 13.8 -9.7 12.7 106 139 A E H >< S+ 0 0 61 -4,-1.1 3,-1.1 1,-0.2 -2,-0.2 0.914 110.8 51.5 -58.2 -44.4 13.0 -12.8 10.5 107 140 A I H >< S+ 0 0 20 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.918 109.2 47.4 -59.5 -45.4 15.9 -14.5 12.2 108 141 A I T 3< S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.464 109.2 56.4 -83.5 3.8 14.8 -13.8 15.7 109 142 A S T < S+ 0 0 82 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.173 109.4 42.1-115.2 13.9 11.2 -14.9 14.9 110 143 A R S < S- 0 0 94 -3,-1.2 3,-0.1 -4,-0.1 -1,-0.0 -0.976 80.9-117.3-150.4 162.6 12.1 -18.4 13.7 111 144 A K S S- 0 0 173 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.918 85.3 -47.6 -66.8 -39.1 14.3 -21.2 14.8 112 145 A R - 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0 0 27 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.447 22.8-132.8 -73.7 149.6 26.6 -17.1 15.2 216 249 A P S S+ 0 0 16 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.761 100.3 42.4 -72.9 -24.5 29.8 -19.1 14.5 217 250 A F S S+ 0 0 1 -34,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.974 83.1 161.3-121.6 112.6 31.8 -17.0 16.9 218 251 A N + 0 0 65 -2,-0.5 2,-0.3 -3,-0.1 10,-0.1 -0.805 7.4 145.8-128.2 165.5 29.9 -16.2 20.0 219 252 A G - 0 0 27 -2,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.908 57.5 -82.3 176.9 172.2 30.5 -15.1 23.6 220 253 A A S S+ 0 0 96 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.700 105.2 2.5 -56.9 -25.6 29.2 -13.1 26.7 221 254 A N S > S- 0 0 76 1,-0.1 4,-2.3 -3,-0.0 3,-0.2 -0.952 84.0 -86.9-158.0 170.6 30.4 -9.7 25.3 222 255 A E H > S+ 0 0 134 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.853 122.5 53.4 -54.6 -39.5 32.2 -7.9 22.4 223 256 A Y H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 110.9 44.8 -64.7 -46.8 35.6 -8.6 23.8 224 257 A D H > S+ 0 0 68 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.851 112.6 52.0 -64.1 -37.9 35.0 -12.4 24.0 225 258 A I H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.959 108.4 51.1 -65.2 -48.2 33.4 -12.5 20.6 226 259 A L H X S+ 0 0 40 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.829 105.6 56.4 -58.9 -32.9 36.4 -10.7 19.0 227 260 A K H X S+ 0 0 100 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.885 110.0 44.3 -66.7 -39.1 38.8 -13.2 20.7 228 261 A K H X S+ 0 0 115 -4,-1.6 4,-1.8 -3,-0.3 5,-0.4 0.931 113.2 51.6 -68.4 -42.8 37.0 -16.1 19.0 229 262 A V H < S+ 0 0 0 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.929 105.6 54.9 -55.0 -49.7 36.9 -14.3 15.7 230 263 A E H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.1 45.9 -57.4 -37.9 40.6 -13.5 15.8 231 264 A K H < S- 0 0 127 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.801 95.5-150.3 -74.2 -31.8 41.4 -17.3 16.2 232 265 A G < + 0 0 9 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.412 41.4 145.8 80.6 0.8 39.0 -18.1 13.4 233 266 A K + 0 0 174 -5,-0.4 2,-0.3 25,-0.0 -1,-0.2 -0.539 16.7 161.4 -77.9 129.6 38.1 -21.6 14.8 234 267 A Y - 0 0 63 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.1 -0.916 19.0-156.7-140.6 166.0 34.5 -22.6 14.2 235 268 A T - 0 0 95 -2,-0.3 2,-1.1 -19,-0.2 -2,-0.0 -0.988 26.5-131.2-145.2 149.1 32.6 -25.9 14.3 236 269 A F 0 0 37 -2,-0.3 -2,-0.0 5,-0.0 13,-0.0 -0.792 360.0 360.0 -94.9 85.7 29.4 -27.4 12.8 237 270 A E 0 0 78 -2,-1.1 4,-0.6 4,-0.0 5,-0.2 0.322 360.0 360.0 -95.9 360.0 28.4 -28.7 16.3 238 ! 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 0.0 239 272 A P > 0 0 135 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -32.6 23.1 -30.5 16.5 240 273 A Q G > + 0 0 35 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.751 360.0 75.2 -55.9 -25.8 21.1 -28.9 13.7 241 274 A W G > S+ 0 0 11 -4,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.709 74.5 77.4 -69.6 -17.9 24.1 -29.4 11.4 242 275 A K G < S+ 0 0 96 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.817 99.3 41.9 -61.1 -32.0 23.4 -33.1 11.0 243 276 A K G < S+ 0 0 94 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.518 91.4 105.0 -91.7 -4.1 20.6 -32.4 8.5 244 277 A V S < S- 0 0 19 -3,-1.0 5,-0.0 -4,-0.4 -130,-0.0 -0.636 78.3-106.8 -83.7 135.5 22.4 -29.6 6.6 245 278 A S > - 0 0 40 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.112 15.1-123.5 -61.6 150.4 23.7 -30.6 3.1 246 279 A E H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.865 112.8 58.7 -61.1 -34.8 27.4 -31.1 2.5 247 280 A S H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.878 104.5 48.1 -61.3 -45.4 27.1 -28.5 -0.3 248 281 A A H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 113.5 48.0 -60.0 -45.9 25.9 -25.8 2.1 249 282 A K H X S+ 0 0 39 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.879 107.5 56.3 -62.5 -38.6 28.7 -26.6 4.5 250 283 A D H X S+ 0 0 52 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.910 107.9 47.6 -60.9 -43.9 31.2 -26.5 1.7 251 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.945 112.2 49.2 -64.3 -47.2 30.2 -23.0 0.8 252 285 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 108.8 53.8 -56.1 -44.7 30.4 -21.9 4.5 253 286 A R H < S+ 0 0 107 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.1 46.8 -55.1 -41.5 33.9 -23.5 4.7 254 287 A K H >< S+ 0 0 83 -4,-1.8 3,-1.1 -5,-0.2 10,-1.0 0.914 113.8 45.3 -71.1 -40.9 35.0 -21.5 1.7 255 288 A M H 3< S+ 0 0 0 -4,-2.5 -51,-0.2 1,-0.2 -2,-0.2 0.825 115.9 46.9 -74.0 -29.5 33.6 -18.1 2.9 256 289 A L T 3< S+ 0 0 3 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 0.065 78.6 141.4 -97.2 23.0 34.9 -18.5 6.4 257 290 A T < - 0 0 37 -3,-1.1 6,-0.1 1,-0.1 -3,-0.1 -0.542 48.7-143.6 -65.8 124.8 38.3 -19.6 5.1 258 291 A Y S S+ 0 0 80 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.927 81.4 68.2 -64.4 -50.4 40.8 -17.9 7.5 259 292 A V S >> S- 0 0 67 1,-0.2 3,-1.2 3,-0.1 4,-0.7 -0.559 76.0-148.7 -76.5 119.9 43.6 -16.9 5.1 260 293 A P G >4 S+ 0 0 33 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.871 93.9 59.2 -65.3 -37.8 42.1 -14.2 2.9 261 294 A S G 34 S+ 0 0 101 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.790 112.3 42.8 -59.2 -23.7 44.2 -15.1 -0.2 262 295 A M G <4 S+ 0 0 142 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.508 91.9 106.8 -98.4 -5.7 42.6 -18.6 -0.0 263 296 A R S << S- 0 0 5 -3,-1.2 -8,-0.2 -4,-0.7 -9,-0.1 -0.546 79.5-104.1 -75.0 138.6 39.1 -17.3 0.7 264 297 A I - 0 0 28 -10,-1.0 2,-0.1 -2,-0.2 -1,-0.1 -0.165 34.7-119.2 -58.1 145.1 36.5 -17.6 -2.1 265 298 A S > - 0 0 36 1,-0.1 4,-2.5 -65,-0.1 5,-0.2 -0.448 23.8-109.9 -80.4 163.9 35.6 -14.3 -4.0 266 299 A A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -136,-0.2 0.939 120.5 51.5 -58.1 -43.9 32.1 -13.0 -4.1 267 300 A R H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 111.7 44.8 -60.3 -41.2 31.9 -13.9 -7.8 268 301 A D H 4 S+ 0 0 89 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.7 52.5 -76.7 -32.6 33.0 -17.5 -7.2 269 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 2,-0.2 6,-0.3 0.902 106.7 53.5 -65.0 -39.8 30.7 -17.8 -4.2 270 303 A L H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.1 48.4 -61.2 -30.5 27.8 -16.6 -6.4 271 304 A D T 3< S+ 0 0 74 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.427 84.1 126.3 -87.8 -2.1 28.9 -19.4 -8.8 272 305 A H S <> S- 0 0 22 -3,-1.6 4,-2.9 1,-0.1 3,-0.4 -0.275 71.3-119.4 -62.3 148.0 29.0 -22.1 -6.1 273 306 A E H > S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.875 112.5 56.5 -57.2 -39.5 27.0 -25.2 -6.8 274 307 A W H 4 S+ 0 0 13 -27,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.923 114.4 38.8 -57.3 -47.2 24.8 -24.6 -3.7 275 308 A I H >4 S+ 0 0 0 -3,-0.4 3,-0.6 -6,-0.3 4,-0.2 0.865 118.0 49.7 -68.8 -39.7 23.8 -21.2 -4.9 276 309 A Q H 3< S+ 0 0 64 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.851 119.3 32.8 -73.3 -32.6 23.6 -22.2 -8.5 277 310 A T T 3< S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.140 78.7 108.3-113.2 19.1 21.4 -25.3 -8.1 278 311 A Y S < S+ 0 0 52 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.2 0.809 92.8 14.6 -76.0 -26.7 19.1 -24.5 -5.1 279 312 A T - 0 0 60 -4,-0.2 -1,-0.2 -3,-0.2 0, 0.0 -0.995 49.7-166.0-138.4 152.6 16.1 -24.1 -7.4 280 313 A K + 0 0 156 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.232 51.2 129.1-110.5 7.9 15.3 -25.0 -11.1 281 314 A E - 0 0 157 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.430 50.6-142.9 -64.9 136.7 12.2 -22.8 -11.2 282 315 A Q - 0 0 136 -2,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.799 17.2-110.5-101.3 143.0 12.2 -20.5 -14.2 283 316 A I - 0 0 67 -2,-0.3 2,-0.6 46,-0.1 -1,-0.0 -0.547 35.7-120.8 -68.9 135.8 10.9 -16.9 -14.2 284 317 A S + 0 0 113 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.732 41.8 163.1 -85.4 120.2 7.7 -16.6 -16.2 285 318 A V - 0 0 16 -2,-0.6 2,-0.1 45,-0.1 41,-0.0 -0.977 26.2-143.7-137.7 116.0 8.1 -14.2 -19.1 286 319 A D > - 0 0 84 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.472 24.6-109.8 -82.6 156.5 5.5 -14.3 -22.0 287 320 A V H > S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.917 114.9 53.7 -49.6 -51.1 6.4 -13.7 -25.6 288 321 A P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.889 109.4 47.2 -57.6 -40.4 4.5 -10.4 -25.8 289 322 A S H > S+ 0 0 14 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.931 117.0 42.4 -66.2 -43.9 6.4 -8.8 -22.8 290 323 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.900 114.6 51.5 -69.1 -39.1 9.8 -9.9 -24.0 291 324 A D H X S+ 0 0 56 -4,-3.2 4,-2.7 -5,-0.3 -2,-0.2 0.955 111.7 47.3 -60.1 -49.0 9.0 -8.9 -27.7 292 325 A N H X S+ 0 0 68 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.855 111.2 50.6 -58.8 -40.3 7.9 -5.5 -26.5 293 326 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.949 113.9 44.1 -65.4 -50.2 11.0 -5.0 -24.3 294 327 A I H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.879 112.4 53.1 -59.9 -42.5 13.3 -5.9 -27.2 295 328 A L H X S+ 0 0 65 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.961 111.7 46.0 -56.7 -51.0 11.3 -3.8 -29.5 296 329 A N H < S+ 0 0 21 -4,-2.7 3,-0.3 1,-0.2 4,-0.3 0.912 112.6 50.1 -60.3 -41.7 11.7 -0.8 -27.1 297 330 A I H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.902 110.1 48.6 -67.6 -40.7 15.4 -1.3 -26.6 298 331 A R H 3< S+ 0 0 130 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.707 106.1 58.6 -76.2 -17.6 16.2 -1.5 -30.3 299 332 A Q T 3< S+ 0 0 132 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.472 86.5 81.9 -85.0 1.5 14.2 1.6 -31.1 300 333 A F X + 0 0 5 -3,-1.2 3,-1.1 -4,-0.3 -1,-0.2 0.821 59.1 107.7 -83.0 -31.6 16.3 3.7 -28.7 301 334 A Q T 3 S+ 0 0 65 -4,-0.4 76,-0.1 -3,-0.3 80,-0.0 -0.157 75.6 36.7 -41.9 132.6 19.4 4.5 -30.9 302 335 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 78,-0.0 -1,-0.2 0.515 75.1 147.3 96.7 6.1 19.4 8.1 -32.1 303 336 A T < - 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0 0 37 -2,-0.5 4,-2.1 45,-0.2 5,-0.2 -0.603 38.0 -94.9-106.4 176.3 26.4 -7.9 -20.6 344 377 A R H > S+ 0 0 102 43,-0.4 4,-2.4 1,-0.2 5,-0.2 0.909 124.3 48.9 -51.8 -49.7 26.9 -8.4 -24.3 345 378 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 110.8 51.0 -63.5 -38.9 26.8 -12.2 -24.1 346 379 A E H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.856 110.3 48.1 -65.9 -38.4 23.6 -12.0 -22.0 347 380 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 109.5 54.0 -65.8 -45.3 21.8 -9.7 -24.5 348 381 A I H X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.932 110.2 46.2 -50.2 -50.7 22.8 -11.9 -27.4 349 382 A E H X S+ 0 0 58 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.862 107.8 58.9 -64.1 -35.2 21.3 -14.9 -25.6 350 383 A G H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.895 106.5 46.7 -60.4 -43.4 18.2 -12.8 -24.8 351 384 A Y H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 112.6 48.8 -62.9 -43.5 17.6 -12.2 -28.5 352 385 A K H X S+ 0 0 90 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.866 110.3 53.0 -65.5 -36.3 18.1 -15.9 -29.4 353 386 A E H X S+ 0 0 50 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.949 109.1 48.3 -61.7 -51.7 15.7 -16.8 -26.6 354 387 A L H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 111.3 50.3 -52.9 -47.5 13.1 -14.4 -28.0 355 388 A M H X>S+ 0 0 17 -4,-2.5 5,-2.9 2,-0.2 4,-0.6 0.928 111.8 47.4 -60.6 -44.4 13.5 -15.9 -31.5 356 389 A R H ><5S+ 0 0 134 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.931 111.8 51.3 -61.8 -44.4 13.1 -19.5 -30.1 357 390 A M H 3<5S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 112.0 45.7 -63.0 -35.0 10.1 -18.4 -28.2 358 391 A K H 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.482 114.0-117.8 -86.0 -5.2 8.5 -16.8 -31.3 359 392 A G T <<5 + 0 0 66 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.825 57.3 160.6 71.7 29.9 9.4 -19.9 -33.4 360 393 A Q < - 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0 0 6 -4,-1.9 3,-1.3 -3,-0.3 -1,-0.1 -0.648 56.7-175.2 -82.5 85.0 24.4 1.9 -22.2 383 416 A F T 3 S+ 0 0 0 -2,-1.6 -380,-2.0 1,-0.3 -1,-0.2 0.785 81.7 35.9 -55.4 -37.7 23.8 5.5 -20.8 384 417 A D T 3 S- 0 0 32 -382,-0.3 -1,-0.3 4,-0.2 -382,-0.1 0.374 103.0-129.3-100.6 4.2 27.2 5.7 -19.0 385 418 A K < + 0 0 82 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.815 64.5 134.8 56.8 35.6 29.1 3.7 -21.6 386 419 A N S S- 0 0 58 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.344 78.5-105.3 -95.4 5.3 30.7 1.3 -19.1 387 420 A G S S+ 0 0 38 1,-0.2 -43,-0.4 -9,-0.1 2,-0.3 0.461 90.3 85.9 88.8 2.4 29.9 -1.7 -21.3 388 421 A Y S S- 0 0 65 -45,-0.1 2,-0.8 -10,-0.1 -2,-0.3 -0.936 73.4-125.8-131.7 154.1 27.0 -3.1 -19.3 389 422 A I E -J 342 0E 0 -47,-2.9 -47,-3.3 -2,-0.3 2,-0.1 -0.912 33.0-156.2 -97.9 110.2 23.3 -2.5 -19.1 390 423 A E E > -J 341 0E 7 -2,-0.8 4,-2.7 -49,-0.2 5,-0.2 -0.458 30.3-100.3 -77.4 160.8 22.5 -1.7 -15.5 391 424 A Y H > S+ 0 0 9 -51,-0.6 4,-2.5 -317,-0.5 5,-0.2 0.862 121.3 45.2 -45.7 -51.7 19.0 -2.3 -14.0 392 425 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 111.8 52.4 -71.7 -36.2 17.9 1.4 -14.2 393 426 A E H > S+ 0 0 4 2,-0.2 4,-1.8 -3,-0.2 5,-0.2 0.933 111.9 47.9 -57.7 -49.1 19.2 1.8 -17.8 394 427 A F H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.939 112.3 46.6 -57.6 -53.3 17.3 -1.3 -18.8 395 428 A V H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.921 110.2 55.0 -58.8 -44.3 14.0 -0.3 -17.1 396 429 A T H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.905 118.2 31.9 -53.9 -47.5 14.2 3.2 -18.7 397 430 A V H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.2 49.6 -85.3 -36.9 14.5 2.0 -22.2 398 431 A A H < S+ 0 0 1 -4,-3.0 -102,-0.2 -5,-0.2 -2,-0.2 0.689 88.7 101.4 -78.8 -19.0 12.5 -1.2 -22.1 399 432 A M S < S- 0 0 7 -4,-1.7 2,-0.1 -5,-0.3 -75,-0.0 -0.390 91.7 -93.5 -67.6 141.7 9.4 0.4 -20.5 400 433 A D > - 0 0 66 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.373 37.2-139.2 -50.1 119.6 6.5 1.3 -22.6 401 434 A R H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.920 99.2 50.3 -55.9 -49.1 7.2 5.0 -23.5 402 435 A K H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.904 111.7 50.4 -58.9 -38.7 3.6 6.3 -23.1 403 436 A T H 4 S+ 0 0 78 1,-0.2 3,-0.3 2,-0.1 -2,-0.2 0.923 111.3 47.6 -65.1 -45.7 3.5 4.6 -19.6 404 437 A L H < S+ 0 0 0 -4,-2.4 2,-2.0 1,-0.2 -2,-0.2 0.922 102.0 66.9 -56.1 -47.7 6.8 6.2 -18.6 405 438 A L < + 0 0 5 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.299 69.4 160.0 -81.3 57.7 5.8 9.7 -19.8 406 439 A S > - 0 0 29 -2,-2.0 4,-2.7 -3,-0.3 5,-0.2 -0.346 54.9-108.4 -71.4 160.4 3.0 10.5 -17.3 407 440 A R H > S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 120.3 47.6 -53.9 -44.0 2.0 14.1 -16.7 408 441 A E H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.4 49.0 -71.0 -41.6 3.5 14.0 -13.2 409 442 A R H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 111.2 50.6 -64.7 -41.1 6.8 12.5 -14.4 410 443 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 112.8 45.7 -60.6 -46.3 7.1 15.0 -17.2 411 444 A E H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.7 48.4 -64.2 -46.5 6.5 17.9 -14.8 412 445 A R H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.901 112.6 49.2 -56.8 -45.2 9.0 16.5 -12.2 413 446 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.912 109.7 51.3 -67.5 -41.5 11.6 15.9 -14.9 414 447 A F H X S+ 0 0 13 -4,-2.4 4,-2.7 -5,-0.2 3,-0.3 0.945 111.0 47.1 -61.5 -47.3 11.2 19.4 -16.3 415 448 A R H < S+ 0 0 96 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.888 107.7 56.9 -64.5 -35.8 11.7 21.1 -12.9 416 449 A M H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.874 114.1 39.3 -58.5 -39.2 14.7 18.9 -12.2 417 450 A F H < S+ 0 0 0 -4,-1.7 2,-1.9 -3,-0.3 -2,-0.2 0.867 103.5 70.1 -79.0 -37.8 16.4 20.3 -15.4 418 451 A D >< + 0 0 6 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 -0.495 64.0 169.6 -81.2 71.9 15.2 23.9 -15.0 419 452 A S T 3 S+ 0 0 25 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.734 73.9 44.2 -61.6 -32.9 17.4 24.7 -12.0 420 453 A D T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.412 105.6-125.5 -91.6 2.4 16.8 28.4 -11.9 421 454 A N < + 0 0 95 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.789 64.9 139.5 58.2 29.4 13.1 28.1 -12.4 422 455 A S S S- 0 0 67 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.662 71.0-115.9 -75.5 -15.9 13.2 30.4 -15.5 423 456 A G S S+ 0 0 33 1,-0.2 38,-0.7 -5,-0.1 2,-0.4 0.449 89.7 79.4 91.8 1.0 10.7 28.1 -17.3 424 457 A K E S-K 460 0F 71 36,-0.2 2,-0.5 37,-0.1 -2,-0.3 -0.996 76.0-128.8-138.4 145.3 13.2 27.2 -20.0 425 458 A I E -K 459 0F 0 34,-2.9 34,-2.6 -2,-0.4 2,-0.2 -0.849 28.4-158.6 -92.2 124.9 16.1 24.7 -20.0 426 459 A S > - 0 0 12 -2,-0.5 4,-1.8 32,-0.2 3,-0.2 -0.517 31.8-108.4 -96.0 164.9 19.4 26.3 -21.2 427 460 A S H > S+ 0 0 39 30,-0.3 4,-2.1 1,-0.2 5,-0.1 0.855 121.8 55.3 -59.5 -32.7 22.5 24.6 -22.6 428 461 A T H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.850 103.8 51.9 -73.3 -33.3 24.2 25.4 -19.3 429 462 A E H > S+ 0 0 12 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.841 109.8 51.4 -66.7 -32.2 21.5 23.6 -17.2 430 463 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.922 109.8 49.8 -66.4 -44.0 22.1 20.6 -19.6 431 464 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 -2,-0.2 0.924 110.1 50.1 -56.8 -48.8 25.9 20.9 -18.8 432 465 A T H ><5S+ 0 0 83 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.838 106.4 53.4 -66.1 -36.6 25.3 21.0 -15.0 433 466 A I H 3<5S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.6 47.7 -67.0 -34.8 23.0 17.9 -14.9 434 467 A F T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.1 -432,-0.2 0.338 118.4-118.5 -83.4 2.0 25.7 16.0 -16.7 435 468 A G T < 5S+ 0 0 66 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.803 72.4 121.0 68.0 33.7 28.2 17.4 -14.2 436 469 A V < - 0 0 56 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.848 68.5-121.8-124.9 164.1 30.4 19.2 -16.8 437 470 A S S S+ 0 0 104 -2,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.907 89.6 1.5 -71.0 -43.9 31.3 22.9 -17.2 438 471 A D - 0 0 76 -7,-0.2 2,-0.4 -8,-0.1 -1,-0.2 -0.991 61.7-131.5-147.3 145.5 30.0 23.4 -20.7 439 472 A V - 0 0 18 -2,-0.3 -8,-0.1 -3,-0.1 -9,-0.0 -0.856 40.5-111.2 -94.4 135.5 28.1 21.4 -23.4 440 473 A D > - 0 0 93 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.259 24.4-110.5 -67.4 159.4 29.7 21.7 -26.8 441 474 A S H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.856 115.7 53.9 -58.6 -40.8 27.9 23.6 -29.6 442 475 A E H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 107.6 51.0 -62.8 -42.2 27.2 20.4 -31.7 443 476 A T H > S+ 0 0 24 -3,-0.2 4,-1.3 2,-0.2 -138,-0.2 0.959 115.2 41.1 -59.7 -51.0 25.5 18.7 -28.7 444 477 A W H X S+ 0 0 25 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.905 112.1 55.4 -66.3 -42.3 23.2 21.7 -28.0 445 478 A K H X S+ 0 0 51 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.866 105.1 53.5 -58.7 -36.3 22.5 22.4 -31.7 446 479 A S H X S+ 0 0 51 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.820 110.3 47.6 -73.1 -29.2 21.3 18.7 -32.1 447 480 A V H >X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 3,-0.8 0.965 115.7 44.6 -63.6 -56.1 18.9 19.3 -29.2 448 481 A L H 3X S+ 0 0 38 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.865 104.5 60.7 -58.9 -41.3 17.6 22.6 -30.6 449 482 A S H 3< S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.1 0.811 119.3 29.4 -61.8 -28.8 17.2 21.4 -34.3 450 483 A E H << S+ 0 0 124 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.743 134.9 26.6 -94.5 -27.1 14.7 18.9 -33.1 451 484 A V H < S+ 0 0 7 -4,-2.1 2,-1.8 1,-0.1 -3,-0.2 0.753 90.0 87.0-116.7 -30.6 13.2 20.6 -30.1 452 485 A D >< + 0 0 18 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.1 -0.498 44.2 166.2 -86.1 76.5 13.4 24.4 -30.2 453 486 A K T 3 S+ 0 0 139 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.698 75.8 44.4 -69.2 -23.1 10.2 25.1 -32.1 454 487 A N T 3 S- 0 0 85 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.227 105.7-126.2-103.6 10.3 10.1 28.9 -31.3 455 488 A N < + 0 0 144 -3,-1.6 -2,-0.1 -7,-0.2 -3,-0.0 0.767 68.0 129.5 57.5 35.6 13.8 29.4 -32.1 456 489 A D S S- 0 0 53 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.410 75.2-114.4-101.6 5.2 14.8 31.0 -28.8 457 490 A G S S+ 0 0 28 1,-0.2 -30,-0.3 -5,-0.1 2,-0.3 0.525 87.5 81.2 78.2 6.0 17.8 28.8 -28.0 458 491 A E S S- 0 0 65 -32,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.930 76.8-118.2-137.3 163.0 16.2 27.2 -24.9 459 492 A V E -K 425 0F 0 -34,-2.6 -34,-2.9 -2,-0.3 2,-0.1 -0.896 27.5-164.8-109.5 111.8 13.7 24.4 -24.2 460 493 A D E > -K 424 0F 37 -2,-0.6 4,-2.6 -36,-0.3 5,-0.2 -0.319 39.2 -94.5 -85.6 175.9 10.4 25.4 -22.5 461 494 A F H > S+ 0 0 67 -38,-0.7 4,-2.2 1,-0.2 5,-0.2 0.869 124.6 51.6 -62.1 -38.1 7.9 23.0 -20.8 462 495 A D H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 113.3 43.3 -58.2 -52.3 5.8 22.7 -23.9 463 496 A E H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.856 111.7 55.5 -63.8 -36.6 8.8 21.9 -26.2 464 497 A F H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.906 110.2 45.3 -66.5 -42.0 10.1 19.5 -23.5 465 498 A Q H X S+ 0 0 3 -4,-2.2 4,-3.4 -5,-0.2 3,-0.3 0.928 113.6 48.3 -66.4 -44.4 6.8 17.5 -23.5 466 499 A Q H < S+ 0 0 38 -4,-2.5 7,-0.3 1,-0.2 6,-0.3 0.894 106.2 60.1 -62.0 -38.8 6.6 17.5 -27.3 467 500 A M H < S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 118.1 28.6 -54.2 -41.4 10.2 16.3 -27.4 468 501 A L H < 0 0 16 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.861 360.0 360.0 -92.9 -41.0 9.3 13.2 -25.5 469 502 A L < 0 0 65 -4,-3.4 -3,-0.2 4,-0.2 -2,-0.2 0.880 360.0 360.0 -76.6 360.0 5.7 12.6 -26.4 470 ! 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 0.0 471 504 A L 0 0 197 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 93.5 3.5 14.4 -31.8 472 505 A a + 0 0 78 -6,-0.3 -6,-0.2 1,-0.2 -5,-0.1 0.732 360.0 177.3 48.8 28.2 3.2 17.9 -30.2 473 506 A G + 0 0 20 -7,-0.3 2,-0.3 -8,-0.2 -4,-0.2 -0.211 12.0 171.9 -58.0 146.0 2.0 15.9 -27.2 474 507 A N 0 0 82 -3,-0.1 -12,-0.1 -9,-0.1 -67,-0.1 -0.900 360.0 360.0-159.1 126.9 1.2 17.9 -24.1 475 508 A L 0 0 86 -2,-0.3 -69,-0.0 -68,-0.1 -10,-0.0 -0.326 360.0 360.0-111.4 360.0 -0.4 16.5 -20.9