==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-02 1KSW . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.A.WITUCKI,X.HUANG,K.SHAH,Y.LIU,S.KYIN,M.J.ECK,K.M.SHOKAT . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 18.4 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 . 5 1.1 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 0 2 2 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 2 3 0 1 1 1 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 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 84 A T 0 0 166 0, 0.0 26,-0.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -12.2 11.1 56.7 42.1 2 85 A T E -A 26 0A 21 24,-0.1 55,-2.6 54,-0.1 2,-0.3 -0.363 360.0-137.8 -76.6 155.5 13.2 57.6 39.0 3 86 A F E -AB 25 56A 42 22,-3.8 22,-3.7 53,-0.3 2,-0.4 -0.789 10.3-138.9-112.1 154.0 12.7 56.1 35.5 4 87 A V E -AB 24 55A 26 51,-3.2 51,-0.9 -2,-0.3 2,-0.6 -0.961 19.6-116.6-119.2 135.1 15.5 55.0 33.1 5 88 A A E - B 0 54A 2 18,-2.6 17,-3.3 -2,-0.4 49,-0.2 -0.527 22.3-173.2 -71.6 111.7 15.5 55.5 29.3 6 89 A L S S+ 0 0 30 47,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.820 74.3 12.5 -73.0 -29.1 15.5 52.2 27.5 7 90 A Y S S- 0 0 63 46,-0.9 16,-0.1 13,-0.1 2,-0.1 -0.851 86.6 -96.7-138.9 169.1 16.0 53.9 24.1 8 91 A D - 0 0 68 -2,-0.3 12,-0.2 12,-0.2 2,-0.2 -0.385 38.1-161.2 -78.9 169.3 17.0 57.3 22.8 9 92 A Y B -F 19 0B 8 10,-1.8 10,-1.2 -2,-0.1 3,-0.0 -0.746 8.4-140.3-160.7 114.5 14.1 59.5 21.8 10 93 A E - 0 0 133 -2,-0.2 2,-0.5 8,-0.2 7,-0.1 -0.299 31.5-102.7 -71.4 150.3 14.2 62.6 19.5 11 94 A S + 0 0 43 1,-0.2 -1,-0.1 5,-0.1 3,-0.0 -0.623 41.1 172.7 -76.6 117.5 12.1 65.7 20.2 12 95 A R + 0 0 41 -2,-0.5 2,-0.2 160,-0.1 -1,-0.2 0.784 61.3 29.2 -92.5 -37.1 9.1 65.6 17.9 13 96 A T S S- 0 0 28 1,-0.1 3,-0.3 0, 0.0 160,-0.0 -0.587 81.1-108.4-116.6-177.0 7.2 68.6 19.4 14 97 A E S S+ 0 0 194 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.623 118.5 45.7 -80.4 -14.3 7.8 71.9 21.1 15 98 A T S S+ 0 0 93 32,-0.1 33,-1.7 2,-0.0 -1,-0.2 0.269 94.0 81.0-116.3 3.7 6.3 70.2 24.2 16 99 A D B S-c 48 0A 13 -3,-0.3 2,-0.3 31,-0.3 33,-0.2 -0.312 72.2-116.0 -97.2-167.7 7.9 66.8 24.6 17 100 A L - 0 0 6 31,-2.6 30,-0.1 30,-0.2 -3,-0.0 -0.874 16.8-145.0-142.1 109.8 11.3 65.8 26.1 18 101 A S + 0 0 47 -2,-0.3 2,-0.3 31,-0.1 -8,-0.2 -0.043 27.9 161.3 -62.9 165.3 14.4 64.2 24.3 19 102 A F B -F 9 0B 14 -10,-1.2 -10,-1.8 24,-0.0 2,-0.3 -0.967 31.5-114.7-178.0 165.6 16.7 61.7 25.9 20 103 A K > - 0 0 116 -2,-0.3 3,-2.3 -12,-0.2 -15,-0.3 -0.764 45.6 -88.3-111.7 156.1 19.4 59.0 25.7 21 104 A K T 3 S+ 0 0 78 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.331 119.6 26.8 -56.9 140.3 19.3 55.3 26.7 22 105 A G T 3 S+ 0 0 48 -17,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.127 88.2 134.6 90.5 -22.0 20.3 55.2 30.3 23 106 A E < - 0 0 29 -3,-2.3 -18,-2.6 -18,-0.2 2,-0.3 -0.422 53.6-130.0 -66.7 128.9 19.1 58.7 31.0 24 107 A R E -A 4 0A 121 -20,-0.2 17,-2.1 -2,-0.2 18,-0.6 -0.631 24.4-168.2 -83.9 139.5 17.2 58.9 34.3 25 108 A L E -AD 3 40A 0 -22,-3.7 -22,-3.8 -2,-0.3 2,-0.5 -0.993 20.1-137.3-134.2 134.5 13.8 60.6 34.3 26 109 A Q E -AD 2 39A 55 13,-3.0 13,-2.0 -2,-0.4 2,-1.5 -0.749 21.4-136.8 -86.3 124.4 11.6 61.7 37.1 27 110 A I + 0 0 21 -26,-0.6 3,-0.3 -2,-0.5 11,-0.2 -0.759 30.8 176.0 -89.4 92.6 8.1 60.7 36.2 28 111 A V + 0 0 68 -2,-1.5 10,-0.2 9,-0.4 -1,-0.1 0.042 69.6 16.6 -84.5 17.4 6.7 64.0 37.4 29 112 A N + 0 0 55 8,-0.3 8,-1.5 3,-0.0 -1,-0.3 -0.178 56.1 172.2 166.2 88.5 3.1 63.3 36.3 30 113 A N + 0 0 105 -3,-0.3 2,-3.1 6,-0.2 5,-0.1 0.505 46.8 117.2 -85.5 -4.7 2.0 59.7 35.5 31 114 A T + 0 0 112 6,-0.1 2,-0.2 5,-0.0 -1,-0.2 -0.044 63.7 65.2 -64.1 40.2 -1.7 60.8 35.2 32 115 A E S S- 0 0 45 -2,-3.1 4,-0.1 1,-0.1 -2,-0.0 -0.590 77.2-121.5-137.4-159.7 -1.9 59.9 31.5 33 116 A G S S+ 0 0 51 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.707 90.7 3.0-119.4 -71.8 -1.8 56.8 29.4 34 117 A D S S+ 0 0 79 1,-0.2 17,-2.4 136,-0.1 2,-0.5 0.626 123.7 53.6 -99.3 -12.9 0.9 56.5 26.7 35 118 A W E - E 0 50A 10 15,-0.2 2,-0.4 16,-0.1 -2,-0.2 -0.960 66.5-160.7-128.9 118.3 2.8 59.8 27.2 36 119 A W E - E 0 49A 52 13,-2.9 13,-2.0 -2,-0.5 2,-0.5 -0.743 19.4-130.8-102.9 138.6 4.2 60.9 30.5 37 120 A L E + E 0 48A 41 -8,-1.5 -9,-0.4 -2,-0.4 -8,-0.3 -0.751 46.9 169.4 -79.4 129.2 5.1 64.4 31.5 38 121 A A E - E 0 47A 0 9,-3.4 9,-2.7 -2,-0.5 2,-0.4 -0.921 35.5-136.9-141.3 172.5 8.6 64.1 32.8 39 122 A H E -DE 26 46A 68 -13,-2.0 -13,-3.0 -2,-0.3 2,-0.4 -0.997 24.1-130.1-134.3 129.3 11.7 65.9 34.0 40 123 A S E -D 25 0A 0 5,-3.0 -15,-0.2 -2,-0.4 4,-0.2 -0.696 9.1-157.0 -80.2 133.1 15.2 64.8 33.0 41 124 A L S S+ 0 0 63 -17,-2.1 -1,-0.1 -2,-0.4 -16,-0.1 0.877 90.9 41.7 -80.3 -37.7 17.6 64.5 36.0 42 125 A S S S+ 0 0 87 -18,-0.6 -1,-0.1 1,-0.1 -17,-0.1 0.993 133.3 20.7 -70.4 -64.3 20.8 64.9 34.0 43 126 A T S S- 0 0 72 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.907 92.3-143.3 -70.5 -43.8 19.7 67.7 31.6 44 127 A G + 0 0 31 1,-0.3 -3,-0.1 -4,-0.2 2,-0.1 0.599 46.8 145.4 90.0 8.8 16.9 68.9 33.8 45 128 A Q - 0 0 126 -27,-0.1 -5,-3.0 -6,-0.1 2,-0.4 -0.418 38.4-141.5 -76.4 158.8 14.6 69.6 30.8 46 129 A T E + E 0 39A 100 -7,-0.2 2,-0.3 -30,-0.1 -7,-0.2 -0.977 41.7 100.7-125.5 137.1 10.8 69.1 31.3 47 130 A G E - E 0 38A 4 -9,-2.7 -9,-3.4 -2,-0.4 -31,-0.3 -0.987 65.2 -50.0 173.1-176.1 8.3 67.7 28.7 48 131 A Y E -cE 16 37A 55 -33,-1.7 -31,-2.6 -2,-0.3 -11,-0.3 -0.541 46.1-172.9 -84.0 152.7 6.3 64.7 27.5 49 132 A I E - E 0 36A 0 -13,-2.0 -13,-2.9 -33,-0.2 2,-0.6 -0.997 32.2-102.0-145.8 144.2 7.8 61.3 26.9 50 133 A P E > - E 0 35A 0 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.539 28.9-145.2 -69.0 112.7 6.6 57.9 25.4 51 134 A S G > S+ 0 0 18 -17,-2.4 3,-2.0 -2,-0.6 -16,-0.1 0.806 95.5 58.9 -47.2 -45.7 5.8 55.5 28.3 52 135 A N G 3 S+ 0 0 57 -18,-0.4 -1,-0.3 1,-0.3 -17,-0.1 0.354 94.8 70.4 -70.3 7.9 7.0 52.4 26.5 53 136 A Y G < S+ 0 0 9 -3,-2.3 -47,-2.3 -47,-0.1 -46,-0.9 0.535 100.1 47.0 -99.9 -6.0 10.4 54.0 26.2 54 137 A V E < -B 5 0A 13 -3,-2.0 -49,-0.2 -4,-0.3 -51,-0.0 -0.649 54.2-172.4-127.7 179.5 11.1 53.8 29.9 55 138 A A E -B 4 0A 5 -51,-0.9 -51,-3.2 -2,-0.2 2,-0.1 -0.918 43.8 -78.5-161.9 160.4 11.1 51.5 32.8 56 139 A P E > -B 3 0A 56 0, 0.0 3,-2.3 0, 0.0 6,-0.3 -0.430 55.0 -95.5 -69.6 145.3 11.7 52.0 36.6 57 140 A S T 3 S+ 0 0 41 -55,-2.6 3,-0.1 1,-0.3 4,-0.1 -0.342 112.0 10.5 -60.7 137.4 15.3 52.3 37.8 58 141 A D T 3 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.492 102.1 131.7 71.5 1.8 16.6 49.0 39.1 59 142 A S S < S- 0 0 20 -3,-2.3 3,-0.3 1,-0.1 4,-0.3 -0.301 70.1-119.2 -78.6 169.5 13.5 47.3 37.6 60 143 A I S > S+ 0 0 31 1,-0.2 3,-2.1 2,-0.2 6,-0.1 0.890 114.2 62.1 -75.8 -37.2 13.7 44.2 35.4 61 144 A Q T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -4,-0.1 5,-0.1 0.669 91.3 68.9 -59.9 -19.0 12.1 46.1 32.5 62 145 A A T 3 S+ 0 0 28 -3,-0.3 2,-0.5 -6,-0.3 -1,-0.3 0.808 80.7 100.0 -69.3 -25.9 15.2 48.3 32.7 63 146 A E X - 0 0 57 -3,-2.1 3,-1.7 -4,-0.3 -57,-0.0 -0.458 66.0-153.3 -72.0 118.7 17.1 45.3 31.4 64 147 A E T 3 S+ 0 0 110 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.633 94.9 51.5 -62.3 -20.0 17.9 45.4 27.7 65 148 A W T 3 S+ 0 0 24 96,-0.1 26,-1.7 25,-0.1 2,-0.5 0.072 88.7 94.1-105.2 17.7 18.0 41.5 27.5 66 149 A Y E < -g 91 0C 19 -3,-1.7 26,-0.2 24,-0.2 95,-0.0 -0.973 51.1-176.1-109.5 122.5 14.7 41.0 29.2 67 150 A F E - 0 0 44 24,-3.3 2,-0.3 -2,-0.5 25,-0.2 0.496 21.8-150.4-101.3 0.0 11.9 40.7 26.6 68 151 A G E -g 92 0C 13 23,-0.8 25,-2.8 1,-0.1 2,-1.0 -0.555 64.5 -3.9 76.8-133.1 8.9 40.5 28.9 69 152 A K S S+ 0 0 161 -2,-0.3 2,-0.3 23,-0.2 -1,-0.1 -0.646 85.6 142.4-100.7 68.6 5.8 38.6 27.8 70 153 A I - 0 0 22 -2,-1.0 2,-0.2 23,-0.1 23,-0.1 -0.795 53.6-107.1-105.9 152.4 6.8 37.6 24.3 71 154 A T > - 0 0 53 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.583 20.8-122.1 -81.2 147.6 5.9 34.2 22.9 72 155 A R H > S+ 0 0 14 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.917 116.8 55.8 -49.8 -46.4 8.6 31.5 22.4 73 156 A R H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 109.5 46.7 -50.5 -53.3 7.6 31.5 18.7 74 157 A E H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 112.0 46.8 -58.4 -50.0 8.3 35.3 18.5 75 158 A S H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.975 110.4 53.9 -59.2 -50.8 11.6 35.3 20.3 76 159 A E H X S+ 0 0 48 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.908 106.2 55.6 -49.6 -39.4 12.7 32.4 18.2 77 160 A R H < S+ 0 0 28 -4,-2.2 4,-0.3 -5,-0.3 -2,-0.2 0.986 113.2 39.4 -55.2 -59.5 11.7 34.6 15.3 78 161 A L H >< S+ 0 0 35 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.915 116.9 47.9 -53.8 -55.1 14.0 37.3 16.6 79 162 A L H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 5,-0.2 0.925 101.2 64.2 -58.4 -44.1 16.9 35.1 17.6 80 163 A L T 3< + 0 0 58 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.554 69.9 128.7 -64.3 0.4 16.9 33.2 14.5 81 164 A N X - 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0 0 17 -3,-0.2 2,-1.3 1,-0.1 -1,-0.2 -0.595 62.7 -2.1 -78.3 132.4 -9.5 46.8 8.8 323 406 A G S > S+ 0 0 2 -22,-1.8 3,-3.4 -2,-0.3 4,-0.3 -0.622 98.6 101.8 94.5 -78.2 -12.9 48.5 8.9 324 407 A L G >> S+ 0 0 19 -2,-1.3 3,-2.3 1,-0.3 4,-0.6 0.499 72.2 66.5 -10.6 -47.1 -12.5 51.2 6.2 325 408 A A G >4 S+ 0 0 6 -4,-0.5 3,-1.6 -24,-0.4 -1,-0.3 0.888 92.1 63.1 -54.7 -37.1 -14.5 49.2 3.6 326 409 A R G <4 S+ 0 0 126 -3,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.572 103.1 50.1 -65.2 -8.2 -17.6 49.6 5.8 327 410 A L G <4 S+ 0 0 12 -3,-2.3 -107,-0.5 -4,-0.3 2,-0.4 0.502 77.6 121.0-106.7 -6.0 -17.3 53.4 5.2 328 411 A I B << -R 219 0F 18 -3,-1.6 -109,-0.2 -4,-0.6 -110,-0.1 -0.433 42.7-169.4 -62.1 114.9 -17.0 53.2 1.4 329 412 A E + 0 0 106 -111,-3.0 2,-0.4 -2,-0.4 -1,-0.2 0.561 40.8 127.7 -84.8 -10.6 -19.9 55.2 -0.0 330 413 A D > - 0 0 69 -112,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.330 59.7-136.7 -55.0 111.2 -19.5 54.0 -3.7 331 414 A N H >> S+ 0 0 138 -2,-0.4 4,-1.8 1,-0.2 3,-0.8 0.809 99.0 45.0 -31.1 -73.0 -23.0 52.8 -4.7 332 415 A E H >4>S+ 0 0 112 1,-0.3 5,-2.0 2,-0.2 3,-0.7 0.902 113.4 51.8 -44.7 -51.4 -21.9 49.6 -6.6 333 416 A Y H >45S+ 0 0 9 1,-0.3 3,-2.1 -3,-0.2 -1,-0.3 0.864 104.4 57.0 -55.9 -39.7 -19.5 48.7 -3.8 334 417 A T H <<5S+ 0 0 83 -4,-2.2 -1,-0.3 -3,-0.8 -2,-0.2 0.905 106.6 49.7 -59.3 -38.0 -22.3 49.1 -1.2 335 418 A A T <<5S- 0 0 33 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.122 121.5-111.1 -87.2 22.8 -24.2 46.5 -3.2 336 419 A R T < 5S+ 0 0 66 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.893 84.8 109.0 47.7 42.5 -21.2 44.2 -3.2 337 420 A Q < + 0 0 123 -5,-2.0 3,-0.4 -6,-0.2 4,-0.2 -0.707 34.0 60.7-134.2-175.2 -20.9 44.8 -6.9 338 421 A G S > S- 0 0 32 -2,-0.2 3,-1.1 1,-0.2 -7,-0.0 0.046 91.0 -64.1 81.9 169.4 -18.7 46.6 -9.6 339 422 A A T 3 S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.1 46,-0.0 0.419 127.3 57.3 -73.9 0.7 -15.1 46.4 -10.7 340 423 A K T 3 S+ 0 0 35 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.473 80.5 96.1-110.3 -4.1 -13.8 47.6 -7.3 341 424 A F S < S- 0 0 9 -3,-1.1 2,-3.2 -4,-0.2 3,-0.3 -0.788 73.2-131.8 -94.6 123.6 -15.4 45.0 -4.9 342 425 A P >> + 0 0 17 0, 0.0 3,-1.4 0, 0.0 4,-1.1 -0.261 44.7 157.4 -69.7 68.3 -13.2 42.1 -3.8 343 426 A I G >4 + 0 0 22 -2,-3.2 3,-1.1 1,-0.3 8,-0.1 0.918 60.8 67.0 -61.5 -46.4 -15.8 39.5 -4.5 344 427 A K G 34 S+ 0 0 18 1,-0.3 -1,-0.3 -3,-0.3 36,-0.0 0.598 111.3 38.4 -53.7 -11.9 -13.5 36.5 -4.9 345 428 A W G <4 S+ 0 0 40 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.625 94.9 104.0-108.5 -23.7 -12.7 36.9 -1.3 346 429 A T S << S- 0 0 17 -3,-1.1 15,-0.1 -4,-1.1 5,-0.0 -0.379 74.1-121.7 -64.3 130.8 -16.2 37.8 -0.1 347 430 A A >> - 0 0 1 -2,-0.1 4,-1.8 1,-0.1 3,-0.9 -0.445 27.5-117.0 -67.9 147.2 -18.3 35.1 1.7 348 431 A P H 3> S+ 0 0 15 0, 0.0 4,-3.5 0, 0.0 3,-0.5 0.938 113.4 53.5 -51.3 -54.2 -21.5 34.4 -0.2 349 432 A E H 3> S+ 0 0 10 1,-0.3 4,-1.9 2,-0.2 6,-1.6 0.750 110.5 50.5 -55.0 -26.2 -23.8 35.6 2.7 350 433 A A H <> S+ 0 0 1 -3,-0.9 4,-1.0 4,-0.3 -1,-0.3 0.859 112.9 43.2 -81.6 -36.0 -21.9 38.8 2.7 351 434 A A H < S+ 0 0 8 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.1 0.959 126.1 34.5 -71.5 -46.7 -22.2 39.4 -1.0 352 435 A L H < S+ 0 0 56 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.882 136.5 17.2 -75.4 -47.7 -25.8 38.4 -1.0 353 436 A Y H < S- 0 0 146 -4,-1.9 -3,-0.2 -5,-0.4 -1,-0.2 0.308 91.2-123.9-114.2 12.7 -27.1 39.6 2.3 354 437 A G < + 0 0 28 -4,-1.0 2,-1.5 -6,-0.3 -4,-0.3 0.832 57.1 153.9 50.8 28.9 -24.4 42.1 3.3 355 438 A R + 0 0 128 -6,-1.6 2,-0.7 2,-0.0 -1,-0.2 -0.644 18.9 179.8 -91.6 81.7 -24.1 40.0 6.5 356 439 A F + 0 0 47 -2,-1.5 2,-0.2 -6,-0.1 3,-0.0 -0.752 15.6 146.7 -84.9 110.7 -20.5 40.9 7.3 357 440 A T >> - 0 0 59 -2,-0.7 4,-1.6 1,-0.1 3,-1.1 -0.793 66.4 -90.0-131.7-178.1 -19.4 39.1 10.5 358 441 A I H 3> S+ 0 0 36 1,-0.3 4,-2.2 -2,-0.2 3,-0.4 0.947 125.3 60.4 -61.1 -37.6 -16.2 37.6 11.9 359 442 A K H 3> S+ 0 0 17 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.703 99.5 53.2 -61.9 -26.0 -17.3 34.4 10.2 360 443 A S H <> S+ 0 0 4 -3,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.901 107.1 53.5 -75.4 -36.6 -17.3 35.9 6.8 361 444 A D H X S+ 0 0 1 -4,-1.6 4,-3.1 -3,-0.4 5,-0.3 0.919 101.2 58.4 -62.5 -41.3 -13.8 37.0 7.5 362 445 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.3 0.914 105.3 51.5 -55.3 -39.6 -12.9 33.4 8.4 363 446 A W H >X S+ 0 0 2 -4,-1.1 3,-1.7 2,-0.2 4,-1.3 0.996 108.7 50.8 -55.4 -62.3 -14.1 32.6 4.8 364 447 A S H 3X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.840 105.8 54.7 -42.1 -47.4 -11.8 35.4 3.5 365 448 A F H 3X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.3 0.884 101.8 60.1 -57.1 -37.8 -8.8 34.0 5.4 366 449 A G H X S+ 0 0 0 -4,-1.3 3,-2.7 1,-0.2 4,-1.6 0.981 110.8 56.4 -62.9 -53.3 -9.0 32.3 0.3 368 451 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.847 99.7 63.1 -44.9 -39.3 -6.0 34.2 1.6 369 452 A L H 3X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.3 -1,-0.3 0.782 102.1 47.6 -58.1 -35.5 -4.6 30.8 2.6 370 453 A T H << S+ 0 0 4 -3,-2.7 4,-0.4 -4,-0.8 -1,-0.3 0.834 105.1 58.8 -76.3 -33.5 -4.5 29.7 -1.0 371 454 A E H ><>S+ 0 0 4 -4,-1.6 3,-2.1 1,-0.2 5,-1.7 0.986 106.8 50.4 -55.9 -48.2 -2.8 33.0 -2.0 372 455 A L H ><5S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.880 111.4 45.7 -54.5 -48.5 -0.1 31.9 0.5 373 456 A T T 3<5S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.311 116.8 46.6 -81.5 8.3 0.2 28.5 -1.0 374 457 A T T X 5S- 0 0 11 -3,-2.1 3,-3.4 -4,-0.4 -1,-0.2 -0.397 109.5-105.5-146.2 57.5 0.3 29.8 -4.6 375 458 A K T < 5S- 0 0 119 -3,-0.5 -3,-0.2 1,-0.3 -106,-0.2 0.621 85.2 -47.4 22.4 50.2 2.7 32.8 -4.7 376 459 A G T 3 S- 0 0 4 -2,-0.1 3,-1.6 2,-0.1 -2,-0.1 0.995 76.7-167.9 54.3 62.6 -10.6 31.4 -9.0 381 464 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.764 77.5 41.6 -47.3 -43.5 -8.1 31.3 -11.9 382 465 A G T 3 S+ 0 0 67 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.085 102.0 80.5-104.6 31.3 -10.6 30.5 -14.6 383 466 A M < - 0 0 21 -3,-1.6 2,-0.2 -4,-0.2 3,-0.0 -0.990 64.7-141.1-141.2 132.6 -13.5 32.8 -13.5 384 467 A V >> - 0 0 70 -2,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.593 40.8-101.9 -83.6 153.7 -14.2 36.4 -14.0 385 468 A N H >> S+ 0 0 67 1,-0.2 3,-3.2 -2,-0.2 4,-0.5 0.897 114.1 67.1 -38.7 -58.1 -15.7 38.1 -11.1 386 469 A R H 34 S+ 0 0 213 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.714 105.4 40.1 -40.2 -37.1 -19.2 38.2 -12.5 387 470 A E H <> S+ 0 0 71 -3,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.446 95.3 84.6 -97.4 2.0 -19.7 34.4 -12.4 388 471 A V H S+ 0 0 99 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.920 111.6 43.8 -41.8 -63.3 -23.0 32.2 -8.7 391 474 A Q H <>S+ 0 0 46 -4,-1.9 5,-2.8 1,-0.2 -1,-0.2 0.839 116.2 44.3 -52.2 -51.6 -20.6 29.3 -8.6 392 475 A V H ><5S+ 0 0 9 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.854 108.2 60.2 -68.4 -33.9 -19.7 29.4 -5.0 393 476 A E H 3<5S+ 0 0 114 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.958 103.3 51.0 -55.7 -51.0 -23.4 29.9 -4.2 394 477 A R T 3<5S- 0 0 167 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.486 133.8 -94.3 -68.0 -1.6 -24.1 26.6 -5.8 395 478 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.507 71.0 154.0 102.2 8.7 -21.3 25.1 -3.6 396 479 A Y < - 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0 0 99 -3,-0.7 6,-0.3 -4,-0.3 5,-0.2 -0.352 59.2-127.5 -56.8 125.2 -18.4 25.8 5.1 418 501 A K S S+ 0 0 151 1,-0.1 -69,-0.2 4,-0.1 -1,-0.2 0.824 94.6 78.3 -41.7 -43.4 -21.7 27.3 3.8 419 502 A E S >> S- 0 0 100 1,-0.2 3,-2.7 2,-0.1 4,-1.2 -0.662 78.1-147.0 -77.6 106.3 -22.8 27.7 7.4 420 503 A P G >4 S+ 0 0 15 0, 0.0 3,-1.8 0, 0.0 2,-0.8 0.862 96.4 44.8 -37.3 -61.1 -21.1 30.8 8.8 421 504 A E G 34 S+ 0 0 166 1,-0.3 4,-0.1 -3,-0.1 -3,-0.1 0.087 101.4 64.4 -83.7 30.5 -20.9 29.4 12.3 422 505 A E G <4 S+ 0 0 112 -3,-2.7 -1,-0.3 -2,-0.8 -4,-0.1 0.509 83.2 96.3-108.8 -24.4 -19.7 26.0 11.3 423 506 A R S << S- 0 0 2 -3,-1.8 -8,-0.2 -4,-1.2 -61,-0.1 -0.374 87.5-108.9 -62.6 136.5 -16.6 27.9 10.0 424 507 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.232 30.8-101.3 -69.1 162.5 -13.9 27.7 12.8 425 508 A T >> - 0 0 49 1,-0.1 4,-2.6 -4,-0.1 3,-0.8 -0.496 19.9-122.3 -83.7 155.8 -12.7 30.5 14.9 426 509 A F H 3> S+ 0 0 0 1,-0.3 4,-3.8 2,-0.3 5,-0.3 0.919 115.4 61.8 -62.2 -37.9 -9.5 32.5 14.5 427 510 A E H 3> S+ 0 0 129 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.878 111.3 41.4 -55.6 -31.2 -8.5 31.5 18.0 428 511 A Y H <> S+ 0 0 88 -3,-0.8 4,-3.3 2,-0.2 -2,-0.3 0.894 111.1 51.3 -80.5 -49.3 -8.7 28.1 16.5 429 512 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.911 110.2 55.1 -55.7 -35.7 -7.0 28.7 13.2 430 513 A Q H X S+ 0 0 33 -4,-3.8 4,-1.7 -5,-0.2 -1,-0.2 0.874 110.7 42.0 -66.9 -42.8 -4.3 30.3 15.2 431 514 A A H X S+ 0 0 49 -4,-1.2 4,-0.9 -5,-0.3 -2,-0.2 0.962 112.8 54.4 -70.1 -45.3 -3.7 27.3 17.3 432 515 A F H >< S+ 0 0 62 -4,-3.3 3,-0.7 1,-0.2 -2,-0.2 0.899 115.5 37.0 -52.7 -52.2 -4.0 24.9 14.3 433 516 A L H >< S+ 0 0 4 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.879 103.7 71.9 -70.6 -37.9 -1.4 26.7 12.3 434 517 A E H 3< S+ 0 0 53 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.687 108.8 31.9 -55.0 -18.7 0.9 27.5 15.2 435 518 A D T << S+ 0 0 52 -4,-0.9 -1,-0.3 -3,-0.7 3,-0.2 -0.487 70.5 130.2-141.0 74.6 1.8 23.8 15.6 436 519 A Y < + 0 0 59 -3,-0.8 2,-1.3 1,-0.2 3,-0.1 0.934 67.0 55.0 -85.0 -71.9 1.9 22.0 12.3 437 520 A F S S- 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 -0.396 123.0 -77.9 -72.5 91.2 5.4 20.3 12.3 438 521 A T S S+ 0 0 156 -2,-1.3 -1,-0.2 -3,-0.2 2,-0.2 0.716 101.3 113.9 13.6 61.7 5.5 18.2 15.6 439 522 A S + 0 0 43 -3,-0.1 -3,-0.1 2,-0.0 -1,-0.1 -0.645 38.0 176.8-155.6 86.8 6.2 21.3 17.7 440 523 A T - 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