==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUN-12 4FOE . COMPND 2 MOLECULE: HEXOKINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SHEN,R.B.HONZATKO . 1798 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1321 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 114 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 665 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 7 5 1 3 3 4 3 2 10 0 3 1 1 2 2 5 0 0 0 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 0 0 12 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 PARALLEL BRIDGES PER LADDER . 4 6 1 1 8 1 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 16 A D >> 0 0 149 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -9.8 -25.0 -44.1 68.2 2 17 A D H 3> + 0 0 121 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.792 360.0 73.1 -72.2 -28.7 -28.1 -42.3 66.9 3 18 A Q H 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.461 111.2 27.9 -65.3 -0.8 -26.8 -39.2 68.7 4 19 A V H <> S+ 0 0 31 -3,-1.0 4,-2.0 2,-0.1 -2,-0.2 0.613 110.4 60.8-129.6 -39.6 -24.2 -39.0 65.9 5 20 A K H X S+ 0 0 117 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.687 105.0 59.5 -64.8 -15.6 -25.7 -40.6 62.8 6 21 A K H >X S+ 0 0 100 -4,-1.3 4,-1.9 2,-0.2 3,-0.6 0.919 101.5 49.0 -77.7 -48.6 -28.2 -37.8 63.2 7 22 A I H 3> S+ 0 0 11 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.945 101.0 64.6 -54.1 -49.8 -25.7 -35.0 63.0 8 23 A D H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.2 43.5 -47.3 -37.9 -24.2 -36.4 59.8 9 24 A K H X< S+ 0 0 119 -4,-0.7 3,-1.4 -3,-0.6 -1,-0.3 0.930 114.1 48.9 -69.9 -46.5 -27.5 -35.8 58.2 10 25 A Y H 3< S+ 0 0 64 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.923 123.3 32.3 -58.5 -47.5 -28.0 -32.3 59.7 11 26 A L T >< S+ 0 0 2 -4,-3.4 3,-1.6 1,-0.2 -1,-0.3 0.082 85.8 123.3 -97.0 21.5 -24.5 -31.3 58.7 12 27 A Y G X + 0 0 144 -3,-1.4 3,-1.0 -5,-0.3 -1,-0.2 0.726 64.6 62.3 -58.9 -24.5 -24.8 -33.5 55.6 13 28 A A G 3 S+ 0 0 58 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.830 99.7 54.4 -69.2 -31.4 -24.1 -30.5 53.3 14 29 A M G < S+ 0 0 4 -3,-1.6 2,-0.7 1,-0.1 -1,-0.2 0.215 86.1 91.7 -90.3 15.0 -20.6 -30.1 54.9 15 30 A R < - 0 0 127 -3,-1.0 2,-0.3 -7,-0.1 -1,-0.1 -0.817 66.1-162.1-111.0 90.3 -19.6 -33.7 54.2 16 31 A L - 0 0 26 -2,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.535 7.3-140.4 -78.2 132.2 -17.9 -33.5 50.8 17 32 A S > - 0 0 58 -2,-0.3 4,-3.0 1,-0.1 3,-0.4 -0.484 24.7-112.4 -86.5 159.9 -17.5 -36.8 48.9 18 33 A D H > S+ 0 0 63 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.879 122.8 59.5 -56.7 -37.0 -14.4 -37.8 46.9 19 34 A E H > S+ 0 0 160 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.908 110.6 41.8 -54.2 -42.9 -16.7 -37.5 43.9 20 35 A T H >> S+ 0 0 42 -3,-0.4 4,-2.1 1,-0.2 3,-0.6 0.929 108.3 56.8 -71.3 -49.5 -17.2 -33.9 45.0 21 36 A L H 3X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.791 103.2 58.1 -54.9 -29.6 -13.6 -33.1 45.9 22 37 A I H 3X S+ 0 0 71 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.3 0.905 105.7 47.7 -66.7 -42.8 -12.7 -34.2 42.4 23 38 A D H X S+ 0 0 131 -4,-1.4 4,-2.0 -3,-0.3 3,-0.6 0.919 114.2 47.7 -55.8 -46.0 -5.0 -21.3 34.0 34 49 A N H 3< S+ 0 0 32 -4,-2.5 10,-0.3 1,-0.2 -1,-0.2 0.869 109.6 52.5 -63.6 -39.0 -7.2 -18.3 34.0 35 50 A G H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.686 113.2 45.8 -70.8 -17.5 -5.2 -16.5 36.7 36 51 A L H << S+ 0 0 7 -4,-1.2 195,-0.7 -3,-0.6 196,-0.5 0.781 93.3 85.2 -97.0 -32.4 -2.0 -17.1 34.6 37 52 A S S X S- 0 0 23 -4,-2.0 4,-1.5 -5,-0.2 193,-0.0 -0.418 73.5-137.0 -71.8 148.1 -3.2 -16.1 31.2 38 53 A R T 4 S+ 0 0 138 2,-0.2 1643,-0.1 1,-0.2 -1,-0.1 0.716 101.1 55.1 -78.1 -21.1 -3.0 -12.3 30.3 39 54 A D T 4 S+ 0 0 49 1,-0.1 1642,-0.4 2,-0.1 -1,-0.2 0.932 120.8 25.0 -76.0 -47.5 -6.4 -12.4 28.7 40 55 A F T >> S+ 0 0 78 -7,-0.2 4,-2.1 1,-0.2 3,-1.7 0.606 96.5 92.8 -95.6 -13.8 -8.4 -13.8 31.6 41 56 A N T 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.3 -3,-0.1 0.854 80.0 58.4 -50.8 -43.5 -6.2 -12.8 34.5 42 57 A P T 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.774 114.4 39.0 -61.5 -23.4 -8.1 -9.5 35.2 43 58 A T T <4 S+ 0 0 42 -3,-1.7 -2,-0.2 -9,-0.2 -8,-0.1 0.810 92.9 104.8 -90.7 -38.4 -11.3 -11.5 35.7 44 59 A A < - 0 0 6 -4,-2.1 3,-0.0 -10,-0.3 -12,-0.0 -0.039 59.4-150.8 -48.9 144.4 -9.9 -14.5 37.6 45 60 A T S S+ 0 0 17 1,-0.1 2,-0.8 201,-0.0 203,-0.2 0.731 88.2 68.8 -86.5 -28.9 -10.5 -14.8 41.3 46 61 A V S S- 0 0 0 -15,-0.2 199,-0.2 1,-0.1 -1,-0.1 -0.838 72.0-165.4 -93.1 106.8 -7.2 -16.7 41.8 47 62 A K - 0 0 57 -2,-0.8 198,-0.2 198,-0.4 -1,-0.1 0.655 8.2-156.4 -72.9 -18.4 -4.6 -14.1 41.1 48 63 A M - 0 0 4 196,-1.2 196,-0.3 1,-0.1 197,-0.1 0.886 26.6-155.8 41.4 45.2 -1.6 -16.4 40.7 49 64 A L E -A 243 0A 13 194,-1.2 194,-2.9 193,-0.1 2,-0.2 -0.209 13.9-114.3 -55.4 136.1 0.5 -13.4 41.6 50 65 A P E -A 242 0A 17 0, 0.0 95,-0.2 0, 0.0 192,-0.2 -0.537 27.7-170.1 -72.4 136.6 4.1 -13.4 40.4 51 66 A T - 0 0 3 190,-1.9 140,-0.1 -2,-0.2 191,-0.1 0.647 26.5-132.1-105.9 -19.4 6.5 -13.5 43.3 52 67 A F + 0 0 50 189,-0.4 2,-0.4 1,-0.2 96,-0.1 0.925 64.0 127.0 64.1 45.1 9.9 -12.8 41.7 53 68 A V - 0 0 10 188,-0.3 188,-2.8 1,-0.1 -1,-0.2 -0.982 41.5-166.6-131.3 116.9 11.7 -15.7 43.4 54 69 A R - 0 0 106 -2,-0.4 185,-0.4 186,-0.2 2,-0.3 0.575 60.4 -24.4 -88.4 -11.8 13.4 -18.0 40.9 55 70 A S S S- 0 0 70 186,-0.0 -1,-0.2 169,-0.0 3,-0.1 -0.940 74.3 -72.9 174.9 167.0 14.1 -21.0 43.0 56 71 A I - 0 0 22 -2,-0.3 144,-0.1 153,-0.2 145,-0.1 -0.334 67.4 -74.0 -75.8 159.1 14.7 -22.4 46.6 57 72 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 384,-0.1 -0.108 38.7-170.6 -53.4 147.1 17.9 -21.7 48.5 58 73 A D - 0 0 103 -3,-0.1 149,-0.1 149,-0.0 -2,-0.0 0.724 49.9 -97.4-108.9 -35.5 21.0 -23.6 47.4 59 74 A G S S+ 0 0 16 3,-0.0 25,-0.4 0, 0.0 145,-0.0 0.077 102.3 99.1 136.0 -20.6 23.5 -22.7 50.2 60 75 A S + 0 0 62 23,-0.1 25,-0.1 24,-0.1 24,-0.0 0.680 55.8 115.5 -67.1 -17.2 25.4 -19.9 48.6 61 76 A E + 0 0 7 22,-0.1 23,-0.5 23,-0.0 2,-0.3 -0.281 42.0 159.7 -53.7 134.9 23.2 -17.6 50.6 62 77 A K + 0 0 89 21,-0.1 2,-0.3 22,-0.1 21,-0.3 -0.978 16.1 63.8-160.8 150.2 25.3 -15.7 53.1 63 78 A G E S-F 82 0B 31 19,-3.2 19,-2.3 -2,-0.3 2,-0.4 -0.889 72.0 -74.2 134.3-165.8 25.2 -12.5 55.2 64 79 A D E +F 81 0B 25 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.977 50.8 165.1-137.4 120.3 23.2 -11.0 58.1 65 80 A F E -F 80 0B 5 15,-2.6 15,-1.7 -2,-0.4 2,-0.4 -0.914 32.6-125.9-137.4 162.2 19.6 -9.7 57.7 66 81 A I E -Fg 79 135B 0 68,-1.9 70,-3.5 -2,-0.3 2,-0.4 -0.908 25.3-159.9-107.0 132.5 16.5 -8.6 59.6 67 82 A A E -Fg 78 136B 1 11,-1.5 11,-2.0 -2,-0.4 2,-0.4 -0.886 3.4-153.7-114.5 144.6 13.1 -10.1 58.7 68 83 A L E -Fg 77 137B 0 68,-0.8 70,-4.1 -2,-0.4 2,-0.4 -0.923 5.6-168.6-114.8 141.9 9.6 -8.7 59.4 69 84 A D E +Fg 76 138B 14 7,-2.6 7,-1.8 -2,-0.4 2,-0.3 -0.881 19.1 156.2-135.0 101.5 6.6 -10.9 59.7 70 85 A L E + g 0 139B 4 68,-2.5 70,-1.8 -2,-0.4 124,-0.1 -0.938 50.0 46.4-125.2 147.9 3.2 -9.2 59.8 71 86 A G S S+ 0 0 2 1,-0.4 88,-0.3 -2,-0.3 89,-0.1 0.092 91.4 86.9 112.5 -22.2 -0.3 -10.5 58.9 72 87 A G S S- 0 0 28 2,-0.4 -1,-0.4 145,-0.1 87,-0.0 -0.109 104.6 -60.4 -92.7-164.3 -0.1 -13.8 60.8 73 88 A S S S+ 0 0 86 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.886 120.1 12.5 -44.5 -50.2 -1.0 -14.7 64.4 74 89 A S S S- 0 0 38 24,-0.1 2,-1.1 -4,-0.0 -2,-0.4 -0.951 77.8-111.0-135.9 153.0 1.6 -12.3 65.7 75 90 A F E - 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0 0 69 -3,-2.4 2,-0.3 -4,-0.5 -1,-0.2 -0.460 17.7-172.1 -70.5 153.8 -31.0 -24.0 76.1 309 324 A I - 0 0 66 -2,-0.1 36,-0.0 -3,-0.1 -13,-0.0 -0.768 6.2-168.5-157.3 104.1 -29.4 -20.8 74.8 310 325 A T > - 0 0 27 -2,-0.3 4,-0.7 1,-0.1 3,-0.4 -0.503 36.3-112.9 -91.4 162.7 -27.3 -18.3 76.8 311 326 A P H >> S+ 0 0 76 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.814 117.4 58.6 -60.2 -31.6 -26.2 -14.8 75.7 312 327 A E H 34 S+ 0 0 67 32,-0.4 6,-0.2 1,-0.2 3,-0.2 0.845 98.8 57.1 -67.1 -35.3 -22.6 -16.1 75.5 313 328 A L H 34 S+ 0 0 2 -3,-0.4 -1,-0.2 31,-0.3 -17,-0.1 0.728 111.0 44.8 -67.4 -20.8 -23.6 -18.7 72.9 314 329 A L H << S+ 0 0 24 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.631 90.3 103.9 -96.7 -19.0 -24.9 -15.9 70.8 315 330 A T S >< S- 0 0 26 -4,-1.0 3,-1.3 -3,-0.2 4,-0.2 -0.433 83.5-101.9 -67.8 137.5 -21.9 -13.6 71.3 316 331 A R T 3 S+ 0 0 88 1157,-3.5 -1,-0.1 1,-0.2 -2,-0.1 -0.337 97.8 1.2 -62.2 133.9 -19.6 -13.4 68.3 317 332 A G T 3 S+ 0 0 37 1,-0.1 -1,-0.2 2,-0.1 -28,-0.1 0.737 80.4 132.6 61.1 26.5 -16.4 -15.5 68.6 318 333 A K < + 0 0 101 -3,-1.3 2,-0.6 -6,-0.2 -1,-0.1 0.629 67.3 67.5 -76.1 -13.7 -17.1 -16.9 72.0 319 334 A F S S- 0 0 6 -4,-0.2 2,-0.2 -6,-0.1 -27,-0.2 -0.941 77.8-161.7-110.1 117.1 -16.1 -20.2 70.4 320 335 A N > - 0 0 85 -2,-0.6 4,-1.2 1,-0.1 3,-0.1 -0.569 32.8-124.3 -95.3 158.3 -12.4 -20.4 69.4 321 336 A T H > S+ 0 0 20 -37,-0.4 4,-1.3 1,-0.2 5,-0.1 0.708 115.4 67.8 -68.7 -19.6 -10.6 -22.7 67.0 322 337 A S H >> S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.955 101.4 43.8 -58.4 -52.0 -8.6 -23.4 70.2 323 338 A D H 3> S+ 0 0 29 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.773 110.1 56.3 -65.4 -28.1 -11.7 -25.0 71.6 324 339 A V H 3< S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 -1,-0.3 0.756 113.0 41.7 -74.6 -24.1 -12.2 -26.7 68.2 325 340 A S H << S+ 0 0 9 -4,-1.3 4,-0.5 -3,-0.6 3,-0.4 0.807 113.9 51.2 -87.3 -35.2 -8.7 -28.2 68.7 326 341 A A H < S+ 0 0 24 -4,-2.7 3,-0.5 1,-0.2 10,-0.3 0.800 105.3 57.5 -72.8 -29.8 -9.1 -29.0 72.4 327 342 A I S < S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.741 103.9 53.7 -69.9 -23.7 -12.4 -30.8 71.7 328 343 A E S S+ 0 0 10 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.547 73.0 112.1 -98.7 -6.4 -10.8 -33.3 69.3 329 344 A K > - 0 0 67 -4,-0.5 4,-1.5 -3,-0.5 5,-0.2 -0.439 67.7-131.9 -64.3 141.9 -7.9 -34.7 71.2 330 345 A N T 4 S+ 0 0 141 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.909 97.6 46.6 -63.6 -47.2 -8.5 -38.4 71.9 331 346 A K T 4 S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.905 132.9 7.5 -61.3 -44.1 -7.7 -38.5 75.6 332 347 A E T > S+ 0 0 76 -6,-0.1 4,-2.5 2,-0.1 5,-0.2 0.056 82.8 116.2-139.5 22.0 -9.6 -35.4 76.7 333 348 A G H X S+ 0 0 1 -4,-1.5 4,-3.4 2,-0.2 -5,-0.1 0.955 89.3 42.4 -60.9 -48.5 -11.8 -33.9 74.0 334 349 A L H > S+ 0 0 72 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 113.4 51.0 -67.3 -41.9 -14.9 -34.7 75.9 335 350 A H H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 115.8 43.7 -61.0 -41.4 -13.5 -33.5 79.2 336 351 A N H X S+ 0 0 37 -4,-2.5 4,-3.1 -10,-0.3 5,-0.3 0.918 109.7 55.9 -67.2 -46.2 -12.4 -30.3 77.5 337 352 A A H X S+ 0 0 0 -4,-3.4 4,-3.9 -5,-0.2 5,-0.3 0.945 105.8 52.7 -49.8 -52.6 -15.8 -30.0 75.7 338 353 A K H X S+ 0 0 70 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.933 112.2 43.4 -48.0 -57.5 -17.5 -30.1 79.1 339 354 A E H X S+ 0 0 91 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.925 117.6 45.6 -57.1 -49.1 -15.4 -27.3 80.5 340 355 A I H X S+ 0 0 24 -4,-3.1 4,-0.9 2,-0.2 -2,-0.2 0.933 117.2 43.8 -60.9 -48.2 -15.7 -25.2 77.4 341 356 A L H >X S+ 0 0 2 -4,-3.9 4,-0.6 -5,-0.3 3,-0.6 0.899 112.2 53.5 -65.1 -41.2 -19.4 -25.8 77.0 342 357 A T H >< S+ 0 0 72 -4,-3.4 3,-1.3 -5,-0.3 -1,-0.2 0.895 102.7 56.7 -62.2 -42.0 -20.0 -25.2 80.7 343 358 A R H 3< S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 99.4 63.2 -58.2 -29.1 -18.3 -21.9 80.7 344 359 A L H << S- 0 0 14 -4,-0.9 -32,-0.4 -3,-0.6 -31,-0.3 0.747 114.6-114.6 -70.5 -24.5 -20.7 -20.8 78.0 345 360 A G S << S+ 0 0 30 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 -0.077 76.7 119.3 115.5 -34.4 -23.7 -21.2 80.3 346 361 A V S S- 0 0 1 -5,-0.5 -1,-0.4 1,-0.1 -40,-0.1 -0.095 76.8-107.4 -54.1 164.3 -25.6 -24.1 78.6 347 362 A E - 0 0 118 -42,-0.1 2,-0.2 -3,-0.1 5,-0.1 -0.687 37.9-148.5-100.0 81.0 -26.0 -27.2 80.8 348 363 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.278 12.8-164.6 -55.2 112.4 -23.5 -29.5 79.1 349 364 A S > - 0 0 36 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.662 37.6-109.5 -90.7 155.4 -24.7 -33.1 79.3 350 365 A D H > S+ 0 0 115 1,-0.3 4,-0.6 -2,-0.3 -1,-0.1 0.771 126.0 56.4 -54.8 -21.8 -22.2 -35.8 78.6 351 366 A D H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.1 3,-0.4 0.888 103.1 51.2 -73.5 -43.2 -24.4 -36.2 75.5 352 367 A D H > S+ 0 0 9 -3,-0.5 4,-3.2 1,-0.2 5,-0.3 0.904 105.6 55.2 -60.4 -44.3 -23.9 -32.6 74.5 353 368 A C H X S+ 0 0 3 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.784 109.8 48.7 -60.1 -27.1 -20.1 -33.0 74.8 354 369 A V H < S+ 0 0 46 -4,-0.6 4,-0.5 -3,-0.4 -1,-0.2 0.834 113.7 44.2 -81.7 -35.8 -20.4 -35.9 72.4 355 370 A S H >X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 3,-0.8 0.925 114.5 48.4 -74.1 -46.9 -22.6 -34.0 69.8 356 371 A V H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 5,-0.2 0.912 107.6 55.6 -59.3 -44.2 -20.5 -30.8 70.0 357 372 A Q H 3X S+ 0 0 48 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.3 0.723 108.8 49.5 -62.6 -21.4 -17.3 -32.8 69.5 358 373 A H H <> S+ 0 0 31 -3,-0.8 4,-2.5 -4,-0.5 -1,-0.2 0.830 105.7 54.1 -86.7 -35.3 -18.8 -34.3 66.4 359 374 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 108.6 51.0 -59.3 -46.9 -19.8 -30.9 64.9 360 375 A C H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.4 0.917 108.1 53.7 -54.3 -46.2 -16.2 -29.8 65.4 361 376 A T H X S+ 0 0 32 -4,-1.1 4,-3.3 1,-0.2 5,-0.3 0.961 109.1 45.9 -54.0 -58.0 -15.1 -33.0 63.5 362 377 A I H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 117.3 45.7 -53.7 -43.0 -17.3 -32.3 60.5 363 378 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.957 118.0 40.0 -66.7 -53.0 -16.2 -28.7 60.4 364 379 A S H X S+ 0 0 1 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.825 114.0 55.3 -68.1 -32.3 -12.5 -29.3 60.9 365 380 A F H X S+ 0 0 82 -4,-3.3 4,-2.5 -5,-0.4 -1,-0.2 0.937 105.8 52.3 -65.4 -44.9 -12.6 -32.3 58.6 366 381 A R H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.935 105.8 52.1 -58.9 -52.1 -14.1 -30.3 55.8 367 382 A S H >X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.966 112.2 45.7 -45.5 -65.6 -11.5 -27.6 55.8 368 383 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.879 111.0 54.2 -45.1 -48.6 -8.6 -30.1 55.6 369 384 A N H 3X S+ 0 0 13 -4,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.897 108.8 48.7 -54.5 -44.5 -10.5 -31.9 52.8 370 385 A L H XX S+ 0 0 1 -4,-2.6 4,-2.2 -3,-0.7 3,-0.6 0.944 106.7 53.5 -62.8 -50.9 -10.8 -28.7 50.8 371 386 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.759 109.5 52.1 -57.1 -24.0 -7.2 -27.8 51.1 372 387 A A H 3X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.3 0.818 104.6 55.6 -79.5 -33.4 -6.5 -31.3 49.7 373 388 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 3,-1.0 0.921 113.7 55.2 -75.5 -47.2 -6.9 -27.6 45.7 375 390 A L H 3X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.3 3,-0.2 0.925 103.1 59.6 -50.6 -44.3 -3.4 -28.8 46.7 376 391 A G H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.3 -1,-0.3 0.861 101.8 53.7 -50.7 -38.6 -4.2 -31.7 44.4 377 392 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 3,-0.5 0.953 112.8 45.7 -59.9 -50.9 -1.2 -27.7 42.2 379 394 A L H 3X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.3 5,-0.3 0.934 108.2 56.4 -58.9 -48.2 0.4 -31.2 42.2 380 395 A N H 3X S+ 0 0 27 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.3 0.824 108.7 50.2 -50.2 -32.8 -1.5 -32.1 39.1 381 396 A R H - 0 0 12 -2,-0.3 4,-1.8 -185,-0.2 3,-0.4 0.189 68.2 -88.7 102.9 144.9 0.3 -21.9 60.4 400 415 A S H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.788 116.7 51.7 -59.1 -43.8 -1.5 -22.5 63.7 401 416 A L H > S+ 0 0 5 -186,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.927 114.4 44.0 -61.4 -44.9 -4.4 -24.7 62.7 402 417 A Y H 4 S+ 0 0 8 -187,-1.9 7,-0.3 -3,-0.4 -1,-0.2 0.850 118.0 47.8 -65.6 -32.4 -2.1 -27.2 60.9 403 418 A K H < S+ 0 0 118 -4,-1.8 -2,-0.2 -188,-0.3 -1,-0.2 0.780 122.2 26.6 -83.0 -29.6 0.3 -27.0 63.8 404 419 A T H < S+ 0 0 87 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.781 88.6 98.3-108.3 -33.8 -2.1 -27.4 66.8 405 420 A H X - 0 0 5 -4,-1.7 4,-0.7 -5,-0.4 -80,-0.1 -0.417 62.6-148.8 -61.5 124.1 -5.1 -29.4 65.7 406 421 A P T 4 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -76,-0.1 0.349 92.9 30.5 -78.1 7.1 -4.5 -33.0 66.8 407 422 A Q T > S+ 0 0 10 3,-0.1 4,-2.3 -78,-0.1 5,-0.2 0.502 100.9 77.5-134.4 -18.1 -6.5 -34.4 63.8 408 423 A Y H > S+ 0 0 0 -7,-0.2 4,-3.1 2,-0.2 5,-0.3 0.970 95.7 44.1 -64.3 -59.4 -6.1 -31.9 61.0 409 424 A S H X S+ 0 0 29 -4,-0.7 4,-2.5 -7,-0.3 5,-0.3 0.967 116.6 47.6 -48.2 -64.8 -2.6 -32.7 59.8 410 425 A R H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 116.3 42.8 -41.0 -57.7 -3.2 -36.5 59.9 411 426 A R H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.905 113.1 52.0 -61.7 -45.8 -6.5 -36.3 58.1 412 427 A F H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.936 106.5 51.9 -59.2 -51.6 -5.4 -33.8 55.4 413 428 A H H X S+ 0 0 35 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.903 111.8 48.9 -52.6 -44.5 -2.3 -35.7 54.3 414 429 A K H X S+ 0 0 144 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.946 110.4 48.0 -62.5 -52.1 -4.5 -38.9 53.9 415 430 A T H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 113.4 49.5 -57.6 -42.6 -7.2 -37.2 51.8 416 431 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.967 107.8 51.0 -60.7 -56.3 -4.7 -35.5 49.6 417 432 A R H < S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.781 112.1 50.7 -54.3 -28.2 -2.7 -38.7 48.9 418 433 A R H < S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.916 108.0 49.4 -76.4 -44.8 -6.0 -40.3 48.0 419 434 A L H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.795 132.0 18.7 -64.5 -29.1 -7.1 -37.6 45.5 420 435 A V >< + 0 0 6 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.3 -0.488 67.3 153.9-142.5 68.2 -3.7 -37.8 43.8 421 436 A P T 3 + 0 0 82 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.448 59.0 91.5 -74.8 1.0 -2.0 -41.0 44.7 422 437 A D T 3 S+ 0 0 68 -4,-0.1 -31,-1.6 -32,-0.1 2,-0.3 0.234 87.4 54.0 -79.5 14.8 -0.1 -40.6 41.4 423 438 A S E < S-e 391 0A 12 -3,-0.6 2,-0.8 -33,-0.2 -31,-0.2 -0.997 74.5-134.2-151.4 150.1 2.6 -38.8 43.4 424 439 A D E -e 392 0A 73 -33,-2.8 -31,-0.9 -2,-0.3 2,-0.4 -0.841 34.9-174.7-108.6 94.5 4.8 -39.3 46.4 425 440 A V E -e 393 0A 9 -2,-0.8 2,-0.4 -33,-0.2 -31,-0.2 -0.761 14.4-155.1-101.2 132.6 4.6 -36.1 48.4 426 441 A R E -e 394 0A 126 -33,-2.2 -31,-3.3 -2,-0.4 2,-0.7 -0.821 9.5-146.0-100.2 142.4 6.6 -35.3 51.6 427 442 A F E -e 395 0A 27 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.780 16.3-174.2-111.8 89.3 5.2 -32.8 54.1 428 443 A L E -e 396 0A 30 -2,-0.7 -31,-0.8 -33,-0.7 2,-0.6 -0.673 13.8-148.1 -81.9 132.6 8.0 -30.8 55.6 429 444 A L E -e 397 0A 63 -2,-0.4 -31,-0.2 -33,-0.2 -33,-0.1 -0.898 12.7-126.9-107.8 117.8 6.7 -28.5 58.4 430 445 A S + 0 0 4 -33,-2.3 -31,-0.1 -2,-0.6 4,-0.1 -0.239 28.4 174.8 -54.0 147.5 8.5 -25.2 59.0 431 446 A E S S+ 0 0 178 -33,-0.1 -1,-0.2 -230,-0.0 3,-0.1 0.526 79.3 53.7-126.5 -31.5 9.5 -24.8 62.6 432 447 A S S S- 0 0 32 1,-0.2 2,-0.8 2,-0.0 3,-0.5 0.639 104.9-134.4 -78.0 -16.2 11.4 -21.5 62.3 433 448 A G - 0 0 11 1,-0.2 -1,-0.2 2,-0.1 -232,-0.1 -0.848 54.6 -44.1 102.7-102.9 8.3 -20.0 60.7 434 449 A S S > S+ 0 0 2 -2,-0.8 4,-3.7 -3,-0.1 5,-0.2 0.458 111.0 95.3-137.9 -24.3 9.2 -18.0 57.6 435 450 A G H > S+ 0 0 1 -3,-0.5 4,-3.9 1,-0.2 5,-0.3 0.852 87.2 48.6 -38.2 -55.0 12.3 -16.0 58.7 436 451 A K H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.973 116.9 40.1 -55.7 -61.2 14.8 -18.5 57.3 437 452 A G H > S+ 0 0 0 -240,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.914 118.2 51.3 -51.6 -45.5 13.1 -18.8 53.9 438 453 A A H >X S+ 0 0 2 -4,-3.7 4,-2.3 1,-0.2 3,-1.5 0.949 110.2 45.8 -58.2 -54.8 12.5 -15.1 54.0 439 454 A A H 3X S+ 0 0 0 -4,-3.9 4,-2.7 1,-0.3 -1,-0.2 0.798 106.1 61.3 -61.6 -28.9 16.1 -14.1 54.8 440 455 A M H 3X S+ 0 0 1 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.3 0.758 107.8 46.3 -65.4 -24.5 17.1 -16.6 52.1 441 456 A V H X S+ 0 0 10 -4,-3.0 4,-2.7 1,-0.2 3,-0.7 0.958 111.3 46.4 -47.0 -63.5 17.5 -9.8 46.5 446 461 A Y H 3X S+ 0 0 70 -4,-3.3 4,-2.6 1,-0.3 -1,-0.2 0.860 107.9 58.3 -48.1 -43.0 20.1 -7.7 48.2 447 462 A R H 3X S+ 0 0 104 -4,-2.1 4,-1.4 -5,-0.4 -1,-0.3 0.928 112.3 40.1 -53.0 -47.6 22.8 -9.4 46.1 448 463 A L H < S+ 0 0 20 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.900 116.3 46.9 -64.3 -42.1 27.6 4.4 36.5 459 474 A L H >< S+ 0 0 8 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 0.726 95.6 75.7 -73.6 -21.8 24.6 5.5 34.3 460 475 A A H >< S+ 0 0 59 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.830 84.3 65.3 -59.6 -31.5 23.9 8.4 36.6 461 476 A H T << S+ 0 0 121 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.626 96.4 57.1 -66.9 -12.6 26.9 10.2 35.0 462 477 A F T < S+ 0 0 2 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.3 0.437 86.9 98.0 -95.4 -2.9 25.0 10.3 31.7 463 478 A H < - 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0 0 7 -33,-2.9 3,-0.6 -2,-0.6 -31,-0.2 -0.530 21.5-170.8 -66.5 112.4 -14.6 6.5 52.8 1779 894 B E T 3 S+ 0 0 66 -2,-0.6 -1,-0.2 1,-0.2 -33,-0.0 0.508 79.9 40.4 -85.6 -3.8 -13.2 3.0 53.3 1780 895 B D T 3> S- 0 0 66 1,-0.4 4,-0.5 -1617,-0.0 3,-0.3 -0.113 103.8-113.6-140.0 43.0 -15.7 2.0 56.0 1781 896 B G T <4 - 0 0 21 -3,-0.6 -1,-0.4 1,-0.2 4,-0.3 -0.038 53.5 -56.5 62.8-163.4 -19.1 3.3 55.1 1782 897 B S T > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.600 104.0 104.4 -90.4 -14.7 -21.1 6.0 57.0 1783 898 B G H > S+ 0 0 3 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.827 81.3 44.9 -33.0 -60.8 -20.9 4.1 60.3 1784 899 B K H X S+ 0 0 41 -4,-0.5 4,-1.9 1,-0.2 3,-0.4 0.970 114.9 46.8 -52.9 -61.3 -18.3 6.3 61.8 1785 900 B G H > S+ 0 0 0 -4,-0.3 4,-1.0 1,-0.3 -1,-0.2 0.793 110.8 53.3 -53.2 -34.2 -19.8 9.6 60.7 1786 901 B A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 3,-0.4 0.919 108.4 48.9 -68.0 -43.8 -23.3 8.5 61.9 1787 902 B A H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.4 -2,-0.2 0.816 108.3 54.9 -65.5 -31.0 -21.9 7.6 65.4 1788 903 B L H X S+ 0 0 1 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.766 109.1 47.8 -72.1 -26.5 -20.2 11.1 65.5 1789 904 B I H X S+ 0 0 6 -4,-1.0 4,-1.4 -3,-0.4 -2,-0.2 0.822 110.2 51.7 -81.7 -34.6 -23.6 12.6 64.8 1790 905 B T H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 3,-0.4 0.953 106.0 56.1 -62.2 -50.2 -25.3 10.5 67.5 1791 906 B A H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.921 108.1 45.9 -45.8 -57.7 -22.6 11.6 69.9 1792 907 B V H X S+ 0 0 23 -4,-1.3 4,-2.6 1,-0.2 -1,-0.3 0.803 110.7 56.1 -59.4 -31.8 -23.4 15.3 69.4 1793 908 B G H X S+ 0 0 11 -4,-1.4 4,-1.1 -3,-0.4 -2,-0.2 0.960 108.2 44.5 -65.6 -52.9 -27.1 14.6 69.7 1794 909 B V H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.879 116.0 50.7 -57.4 -39.8 -26.8 13.0 73.1 1795 910 B R H X S+ 0 0 58 -4,-2.2 4,-3.5 -5,-0.3 -2,-0.2 0.986 107.9 47.4 -63.7 -62.3 -24.6 15.8 74.2 1796 911 B L H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.688 113.4 55.2 -54.8 -18.0 -26.7 18.8 73.1 1797 912 B R H < S+ 0 0 130 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.959 114.6 32.6 -80.0 -59.3 -29.6 16.9 74.8 1798 913 B T H < 0 0 121 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.825 360.0 360.0 -64.9 -30.9 -28.1 16.5 78.3 1799 914 B E < 0 0 166 -4,-3.5 -3,-0.0 -5,-0.3 0, 0.0 -0.216 360.0 360.0 -98.0 360.0 -26.3 19.8 77.7