==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-AUG-02 1MKJ . COMPND 2 MOLECULE: KINESIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.V.SINDELAR,M.J.BUDNY,S.RICE,N.NABER,R.FLETTERICK,R.COOKE . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 3 0 1 0 0 0 0 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 5 1 3 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 0 0 0 1 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 2 A A 0 0 161 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.5 43.8 55.4 70.9 2 3 A D + 0 0 137 1,-0.3 317,-0.3 316,-0.0 2,-0.2 0.907 360.0 12.8 -91.5 -79.6 45.5 57.0 73.9 3 4 A L - 0 0 93 315,-0.1 2,-0.3 313,-0.0 -1,-0.3 -0.684 65.5-157.6-102.3 157.4 47.1 54.4 76.3 4 5 A A E -A 317 0A 54 313,-1.6 313,-2.1 -2,-0.2 2,-0.4 -0.937 16.5-123.7-134.2 154.7 47.7 50.7 75.7 5 6 A E E +A 316 0A 118 -2,-0.3 2,-0.3 311,-0.2 311,-0.2 -0.809 35.7 175.8 -97.7 136.4 48.2 47.6 77.8 6 7 A C E -A 315 0A 26 309,-3.0 309,-4.0 -2,-0.4 2,-0.1 -0.995 27.0-114.8-144.4 150.2 51.3 45.6 77.2 7 8 A N E -A 314 0A 64 -2,-0.3 2,-0.3 307,-0.3 307,-0.2 -0.434 36.5-102.9 -81.3 154.2 53.1 42.6 78.6 8 9 A I - 0 0 1 305,-1.8 2,-0.3 302,-0.5 277,-0.2 -0.617 41.1-126.5 -74.1 132.0 56.5 42.7 80.3 9 10 A K E -b 285 0B 89 275,-2.4 277,-3.3 -2,-0.3 2,-0.5 -0.648 24.6-166.0 -83.1 137.7 59.1 41.4 77.9 10 11 A V E -b 286 0B 0 -2,-0.3 38,-2.4 275,-0.2 39,-0.8 -0.969 6.4-176.6-131.0 118.1 61.3 38.5 79.0 11 12 A M E -bc 287 49B 13 275,-2.7 277,-2.6 -2,-0.5 2,-0.6 -0.925 13.8-149.0-113.0 138.2 64.4 37.5 77.2 12 13 A C E -bc 288 50B 0 37,-2.4 39,-3.5 -2,-0.4 2,-0.5 -0.937 13.2-170.9-112.1 122.1 66.5 34.5 78.3 13 14 A R E -bc 289 51B 19 275,-2.6 277,-2.2 -2,-0.6 2,-0.3 -0.942 4.7-163.7-116.6 121.3 70.2 34.6 77.7 14 15 A F E -b 290 0B 1 37,-2.9 41,-0.2 -2,-0.5 277,-0.2 -0.755 10.9-149.8 -98.0 147.6 72.5 31.7 78.2 15 16 A R - 0 0 39 275,-1.5 38,-0.3 -2,-0.3 39,-0.1 -0.692 25.8 -96.7-110.3 165.3 76.3 32.2 78.5 16 17 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 277,-0.1 -0.379 51.3 -87.6 -76.3 165.8 79.0 29.8 77.4 17 18 A L - 0 0 43 275,-0.1 2,-0.1 274,-0.1 11,-0.0 -0.494 44.0-130.0 -72.6 142.2 80.6 27.5 80.0 18 19 A N > - 0 0 41 -2,-0.2 4,-2.8 1,-0.1 3,-0.2 -0.471 26.0-100.1 -91.3 164.3 83.6 28.9 81.9 19 20 A E H > S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 123.5 54.3 -44.6 -51.0 87.0 27.3 82.5 20 21 A S H > S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.927 111.1 43.3 -50.9 -53.4 85.9 26.3 86.0 21 22 A E H 4>S+ 0 0 3 -3,-0.2 5,-0.9 1,-0.2 3,-0.4 0.898 111.9 54.0 -62.9 -42.1 82.8 24.5 84.7 22 23 A V H <5S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.915 103.1 57.3 -60.2 -43.6 84.6 22.9 81.9 23 24 A N H <5S+ 0 0 142 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 104.3 58.3 -58.9 -33.3 87.3 21.4 84.2 24 25 A R T <5S- 0 0 90 -4,-1.1 0, 0.0 -3,-0.4 0, 0.0 -0.301 115.1 -87.9 -84.8-178.7 84.6 19.6 86.3 25 26 A G T 5S+ 0 0 71 -2,-0.1 -3,-0.1 2,-0.0 -2,-0.1 0.296 75.4 152.6 -75.5 15.6 82.3 17.1 84.6 26 27 A D < - 0 0 19 -5,-0.9 2,-0.4 -6,-0.2 267,-0.1 -0.184 26.8-162.9 -50.7 124.4 80.0 20.0 83.8 27 28 A K - 0 0 128 265,-0.0 267,-0.7 2,-0.0 2,-0.7 -0.909 27.1-109.3-116.3 142.6 78.0 19.4 80.6 28 29 A Y B +M 293 0C 94 -2,-0.4 265,-0.2 265,-0.2 -2,-0.0 -0.545 38.4 177.2 -67.3 109.6 76.1 21.9 78.5 29 30 A I + 0 0 25 263,-2.9 2,-0.5 -2,-0.7 12,-0.4 0.352 42.0 103.6-101.1 6.6 72.4 21.1 79.3 30 31 A A - 0 0 10 262,-0.3 2,-0.5 10,-0.1 10,-0.2 -0.805 47.6-170.1 -95.8 125.0 70.6 23.7 77.2 31 32 A K E -N 39 0D 93 8,-2.1 8,-3.8 -2,-0.5 2,-0.3 -0.960 15.3-142.7-113.6 124.8 69.1 22.6 74.0 32 33 A F E -N 38 0D 67 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.621 15.5-172.4 -95.5 148.9 67.8 25.4 71.7 33 34 A Q E >> -N 37 0D 105 4,-2.4 4,-1.4 -2,-0.3 3,-0.9 -0.984 61.1 -38.2-133.6 143.8 64.7 25.5 69.5 34 35 A G T 34 S- 0 0 78 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.140 97.5 -72.7 40.9-118.2 63.7 28.2 67.0 35 36 A E T 34 S+ 0 0 109 12,-0.1 15,-1.8 -3,-0.1 -1,-0.2 0.047 127.7 54.7-158.6 28.2 64.8 31.4 68.7 36 37 A D T <4 S+ 0 0 60 -3,-0.9 11,-3.4 13,-0.3 2,-0.4 0.279 98.6 66.1-143.0 -1.9 62.3 31.8 71.5 37 38 A T E < -NO 33 46D 28 -4,-1.4 -4,-2.4 9,-0.3 2,-0.4 -0.969 49.8-176.0-133.1 145.8 62.5 28.4 73.2 38 39 A V E -NO 32 45D 0 7,-2.0 7,-2.0 -2,-0.4 2,-0.5 -0.988 17.9-140.7-135.7 143.0 65.1 26.5 75.2 39 40 A V E +NO 31 44D 13 -8,-3.8 -8,-2.1 -2,-0.4 2,-0.4 -0.923 20.1 173.1-113.3 129.4 64.9 23.0 76.5 40 41 A I S S- 0 0 0 3,-1.8 -10,-0.1 -2,-0.5 -2,-0.0 -0.986 76.4 -4.7-132.8 119.2 66.1 21.9 79.9 41 42 A A S S- 0 0 58 -2,-0.4 -1,-0.2 -12,-0.4 -11,-0.1 0.976 130.2 -56.1 61.4 56.7 65.4 18.4 81.2 42 43 A S S S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.853 114.8 119.3 42.0 45.0 63.2 17.5 78.2 43 44 A K - 0 0 87 2,-0.0 -3,-1.8 0, 0.0 2,-0.4 -0.998 57.7-133.7-137.9 139.9 61.1 20.6 79.0 44 45 A P E -O 39 0D 82 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.796 16.3-176.6-101.1 138.4 60.3 23.7 76.9 45 46 A Y E -O 38 0D 5 -7,-2.0 -7,-2.0 -2,-0.4 2,-0.5 -0.990 12.3-162.8-128.8 117.2 60.4 27.2 78.1 46 47 A A E +O 37 0D 51 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.895 13.9 170.0-107.9 132.0 59.4 29.8 75.5 47 48 A F - 0 0 7 -11,-3.4 3,-0.2 -2,-0.5 -36,-0.2 -0.527 53.5 -89.0-123.9-170.7 60.2 33.5 75.9 48 49 A D S S- 0 0 47 -38,-2.4 2,-0.3 1,-0.4 -37,-0.2 0.810 112.9 -10.1 -72.3 -26.5 60.1 36.7 73.9 49 50 A R E -c 11 0B 66 -39,-0.8 -37,-2.4 -13,-0.2 2,-0.5 -0.918 63.1-146.9-170.0 139.0 63.5 35.7 72.7 50 51 A V E -c 12 0B 3 -15,-1.8 2,-0.5 -2,-0.3 -37,-0.2 -0.969 13.5-155.5-116.7 130.0 66.2 33.2 73.7 51 52 A F E -c 13 0B 3 -39,-3.5 -37,-2.9 -2,-0.5 2,-0.1 -0.916 9.8-145.1-107.2 126.6 69.8 34.1 73.3 52 53 A Q > - 0 0 46 -2,-0.5 3,-1.7 -39,-0.2 -14,-0.0 -0.312 34.0 -98.5 -81.2 169.8 72.4 31.3 72.9 53 54 A S T 3 S+ 0 0 27 1,-0.3 -1,-0.1 -38,-0.3 -40,-0.0 0.788 124.6 57.7 -58.0 -28.5 75.9 31.4 74.4 54 55 A S T 3 S+ 0 0 108 -39,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.594 77.8 116.4 -79.5 -13.5 77.1 32.5 70.9 55 56 A T < - 0 0 13 -3,-1.7 -4,-0.1 -41,-0.2 5,-0.0 -0.419 63.6-129.6 -63.8 120.8 74.9 35.6 70.8 56 57 A S > - 0 0 63 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.201 16.1-113.1 -70.6 158.8 76.9 38.8 70.8 57 58 A Q H > S+ 0 0 14 45,-0.3 4,-2.0 1,-0.2 3,-0.4 0.976 119.1 52.0 -51.3 -58.9 76.6 41.8 73.0 58 59 A E H > S+ 0 0 115 44,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.822 105.8 53.8 -48.1 -41.5 75.4 43.9 70.0 59 60 A Q H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.944 107.9 50.8 -61.2 -46.8 72.8 41.3 69.1 60 61 A V H X S+ 0 0 1 -4,-2.1 4,-1.7 -3,-0.4 5,-0.4 0.920 109.2 50.9 -56.9 -46.5 71.3 41.5 72.6 61 62 A Y H X>S+ 0 0 8 -4,-2.0 5,-2.4 2,-0.2 4,-1.5 0.943 111.8 45.9 -57.5 -52.0 71.1 45.3 72.5 62 63 A N H <5S+ 0 0 60 -4,-2.2 5,-0.4 1,-0.2 -1,-0.2 0.923 116.8 44.0 -59.0 -46.2 69.3 45.4 69.1 63 64 A D H <5S+ 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.691 132.7 17.4 -73.6 -17.4 66.8 42.7 70.1 64 65 A C H X5S+ 0 0 4 -4,-1.7 4,-0.6 -3,-0.3 -3,-0.2 0.799 128.4 26.6-119.5 -54.1 66.2 44.1 73.6 65 66 A A H X5S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.4 5,-0.3 0.783 99.8 73.6 -91.2 -30.6 67.2 47.7 74.3 66 67 A K H > S+ 0 0 106 -5,-0.4 4,-2.0 -6,-0.3 -1,-0.2 0.916 108.9 52.4 -61.7 -45.4 63.3 49.4 71.2 68 69 A I H X S+ 0 0 4 -4,-0.6 4,-2.8 1,-0.2 5,-0.3 0.922 106.7 53.8 -56.8 -45.8 63.2 50.7 74.8 69 70 A V H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.863 107.1 52.5 -57.7 -36.3 65.4 53.7 73.8 70 71 A K H X S+ 0 0 116 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.2 0.906 110.4 46.5 -68.1 -41.3 62.9 54.5 71.0 71 72 A D H ><>S+ 0 0 5 -4,-2.0 3,-2.1 2,-0.2 5,-1.5 0.955 109.9 52.5 -65.2 -50.9 60.0 54.5 73.5 72 73 A V H ><5S+ 0 0 4 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.884 106.3 55.0 -52.6 -39.0 61.8 56.6 76.1 73 74 A L H 3<5S+ 0 0 13 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.693 105.2 54.9 -68.5 -16.8 62.6 59.1 73.3 74 75 A E T <<5S- 0 0 108 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.328 132.0 -90.2 -96.7 5.5 58.8 59.2 72.7 75 76 A G T < 5S+ 0 0 0 -3,-1.7 245,-2.7 1,-0.3 148,-0.3 0.725 84.0 133.5 94.1 23.1 58.0 60.1 76.3 76 77 A Y < - 0 0 32 -5,-1.5 2,-0.4 243,-0.2 -1,-0.3 -0.741 56.0-123.1-104.9 153.4 57.6 56.6 77.7 77 78 A N - 0 0 22 -2,-0.3 206,-2.9 241,-0.3 2,-0.3 -0.788 36.4-175.8 -92.4 137.4 59.1 55.2 80.9 78 79 A G E -de 226 283B 0 147,-2.2 149,-1.8 -2,-0.4 2,-0.4 -0.969 11.9-169.3-135.6 153.0 61.2 52.1 80.3 79 80 A T E -de 227 284B 1 204,-1.9 206,-2.9 -2,-0.3 2,-0.4 -1.000 7.0-179.9-144.0 141.7 63.0 49.6 82.4 80 81 A I E +de 228 285B 0 147,-2.4 149,-2.7 -2,-0.4 2,-0.4 -0.988 12.7 169.3-138.1 124.6 65.5 46.9 81.7 81 82 A F E -de 229 286B 0 204,-1.4 206,-1.9 -2,-0.4 2,-0.3 -0.999 27.3-131.4-141.3 141.5 67.0 44.7 84.5 82 83 A A E -de 230 287B 0 147,-2.2 149,-1.1 -2,-0.4 2,-0.4 -0.707 23.9-171.8 -89.3 139.3 69.0 41.6 84.5 83 84 A Y E + e 0 288B 13 204,-2.3 206,-3.2 -2,-0.3 2,-0.2 -0.994 27.6 94.8-134.5 136.2 68.0 38.7 86.7 84 85 A G - 0 0 0 148,-0.4 150,-1.0 -2,-0.4 151,-0.2 -0.831 68.5 -62.3 159.6 162.4 69.8 35.4 87.6 85 86 A Q S > S- 0 0 20 204,-0.4 3,-2.0 148,-0.3 4,-0.3 -0.225 75.1 -70.5 -64.6 158.9 72.1 33.7 90.0 86 87 A T T 3 S+ 0 0 42 1,-0.3 -1,-0.2 2,-0.1 146,-0.0 -0.212 121.1 17.0 -52.3 134.1 75.6 35.0 90.5 87 88 A S T 3 S+ 0 0 86 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.470 88.1 114.3 80.3 4.7 77.9 34.4 87.5 88 89 A S S < S- 0 0 1 -3,-2.0 202,-0.3 201,-0.1 -2,-0.1 0.817 95.8 -92.5 -74.2 -28.8 75.0 33.8 85.1 89 90 A G S > S+ 0 0 17 -4,-0.3 4,-1.8 200,-0.2 5,-0.1 0.639 77.8 136.5 127.1 25.8 75.9 36.9 83.2 90 91 A K H > S+ 0 0 16 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.923 81.0 39.9 -67.2 -46.5 74.0 39.9 84.5 91 92 A T H >>S+ 0 0 65 2,-0.2 4,-3.5 1,-0.2 5,-1.9 0.888 113.2 55.0 -72.1 -37.0 76.8 42.5 84.6 92 93 A H H 45S+ 0 0 106 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.1 45.0 -59.7 -42.0 78.2 41.2 81.3 93 94 A T H <5S+ 0 0 2 -4,-1.8 13,-2.4 1,-0.1 -2,-0.2 0.955 122.8 32.8 -65.7 -54.8 74.8 41.8 79.8 94 95 A M H <5S+ 0 0 0 -4,-2.7 13,-2.7 11,-0.2 -2,-0.2 0.869 140.9 9.3 -73.2 -39.9 74.1 45.3 81.3 95 96 A E T <5S+ 0 0 10 -4,-3.5 10,-3.4 -5,-0.2 -3,-0.2 0.846 75.8 166.2-106.7 -56.9 77.6 46.6 81.4 96 97 A G B S- 0 0 149 6,-2.0 3,-1.9 3,-0.2 6,-0.1 -0.743 77.9-146.8 -84.3 94.8 83.5 45.9 78.8 98 99 A L T 3 S+ 0 0 18 -2,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.740 88.7 25.3 -31.4 -49.6 82.3 49.4 79.3 99 100 A H T 3 S+ 0 0 110 -3,-0.1 -1,-0.3 5,-0.1 -3,-0.1 0.447 93.0 107.7-103.7 0.4 84.5 51.1 76.7 100 101 A D <> - 0 0 70 -3,-1.9 4,-2.8 1,-0.2 -3,-0.2 -0.694 61.6-147.0 -83.7 115.6 85.1 48.2 74.4 101 102 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.816 99.3 33.4 -46.9 -38.3 83.2 48.7 71.1 102 103 A E T 4 S+ 0 0 166 1,-0.1 -44,-0.4 -45,-0.1 -45,-0.3 0.800 125.8 40.9 -91.1 -31.2 82.6 45.0 70.6 103 104 A G T 4 S+ 0 0 18 -6,-0.1 -6,-2.0 -46,-0.1 -1,-0.1 0.542 83.0 114.2 -97.4 -6.5 82.3 44.0 74.3 104 105 A M B < -P 96 0E 10 -4,-2.8 -8,-0.3 -8,-0.3 -6,-0.1 -0.234 55.6-133.9 -65.2 155.5 80.3 46.8 75.9 105 106 A G > - 0 0 1 -10,-3.4 4,-1.9 -14,-0.1 -11,-0.2 -0.135 34.3 -70.0 -98.8-165.5 76.8 46.0 77.2 106 107 A I H > S+ 0 0 3 -13,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 122.0 52.7 -53.5 -53.4 73.3 47.4 77.2 107 108 A I H > S+ 0 0 15 -13,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.952 111.8 42.6 -53.9 -59.2 73.9 50.5 79.3 108 109 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.867 116.3 50.8 -59.1 -31.1 76.9 52.0 77.3 109 110 A R H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 108.8 50.2 -70.5 -41.4 75.1 51.1 74.1 110 111 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.893 107.8 55.8 -61.1 -39.1 71.9 52.9 75.2 111 112 A V H X S+ 0 0 2 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.904 109.0 45.1 -60.7 -43.7 74.0 55.9 76.1 112 113 A Q H X S+ 0 0 85 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.955 113.0 51.2 -66.0 -48.6 75.5 56.2 72.7 113 114 A D H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.867 103.4 58.0 -56.9 -41.9 72.1 55.7 71.0 114 115 A I H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.938 113.2 39.0 -56.7 -47.4 70.4 58.4 73.0 115 116 A F H X S+ 0 0 8 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.804 109.7 59.4 -76.0 -27.7 72.8 61.0 71.9 116 117 A N H < S+ 0 0 93 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.953 110.2 45.4 -62.5 -44.9 73.0 59.7 68.3 117 118 A Y H >X S+ 0 0 80 -4,-2.5 3,-2.1 1,-0.2 4,-1.2 0.970 112.5 48.9 -59.9 -56.4 69.2 60.3 68.1 118 119 A I H >< S+ 0 0 30 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.900 106.3 55.9 -51.3 -48.0 69.3 63.8 69.7 119 120 A Y T 3< S+ 0 0 143 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.627 106.2 56.5 -62.3 -11.2 72.1 65.0 67.5 120 121 A S T <4 S+ 0 0 94 -3,-2.1 -1,-0.2 -4,-0.5 -2,-0.2 0.791 90.7 82.2 -89.0 -35.0 69.8 64.0 64.6 121 122 A M S << S- 0 0 77 -4,-1.2 0, 0.0 -3,-0.7 0, 0.0 -0.274 84.7-102.0 -74.0 160.8 66.8 66.1 65.5 122 123 A D > - 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0 0 14 -8,-0.4 4,-1.1 -10,-0.4 3,-1.1 -0.861 69.3-161.4-100.3 116.3 68.6 38.3 99.2 244 256 A K H >> S+ 0 0 155 -2,-0.6 4,-2.5 1,-0.3 3,-0.8 0.904 95.9 60.0 -59.3 -40.0 65.4 39.3 101.0 245 257 A S H 3> S+ 0 0 9 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.761 102.8 52.6 -58.4 -26.1 64.9 42.0 98.3 246 258 A L H <> S+ 0 0 1 -3,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.758 105.5 52.8 -80.7 -26.9 64.9 39.1 95.8 247 259 A S H X>S+ 0 0 11 -4,-3.0 5,-2.0 2,-0.2 4,-0.9 0.942 114.5 44.5 -55.7 -51.1 51.1 38.8 93.1 256 268 A L H ><5S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.943 111.3 53.0 -59.8 -49.5 50.9 40.7 89.8 257 269 A A H 3<5S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 111.9 46.6 -61.4 -20.9 50.9 37.4 87.7 258 270 A E H <<5S- 0 0 148 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.566 110.5-121.1 -96.4 -12.2 48.0 36.1 89.8 259 271 A G T <<5 + 0 0 59 -3,-1.2 -3,-0.2 -4,-0.9 -2,-0.1 0.696 49.0 170.4 79.6 18.8 46.0 39.4 89.5 260 272 A S < - 0 0 57 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.390 39.0-132.9 -63.2 137.5 45.9 39.8 93.3 261 273 A T S S+ 0 0 153 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.770 91.9 64.0 -65.1 -23.2 44.6 43.2 94.3 262 274 A Y - 0 0 148 -7,-0.1 -2,-0.1 2,-0.0 -1,-0.1 -0.895 63.7-173.7-109.0 123.2 47.4 43.6 96.8 263 275 A V - 0 0 21 -2,-0.6 2,-2.2 -8,-0.1 3,-0.4 -0.948 23.9-137.0-115.2 122.6 51.1 43.8 95.6 264 276 A P > + 0 0 15 0, 0.0 3,-1.4 0, 0.0 -12,-0.2 -0.233 51.7 140.7 -72.6 51.9 53.8 43.8 98.2 265 277 A Y G > + 0 0 31 -2,-2.2 3,-1.2 1,-0.3 6,-0.1 0.881 67.2 63.5 -59.4 -38.2 56.0 46.5 96.6 266 278 A R G 3 S+ 0 0 198 -3,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.608 73.9 90.4 -64.0 -15.0 56.6 47.9 100.1 267 279 A D G < S+ 0 0 95 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.730 105.6 5.5 -56.6 -21.8 58.5 44.7 101.3 268 280 A S S <> S- 0 0 3 -3,-1.2 4,-0.8 -4,-0.2 -1,-0.1 -0.974 71.1-122.2-156.0 154.0 61.7 46.3 100.1 269 281 A K H > S+ 0 0 22 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.668 110.5 66.0 -77.5 -11.6 62.7 49.7 98.6 270 282 A M H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.978 105.6 41.2 -66.9 -55.8 64.0 47.9 95.6 271 283 A T H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.681 114.0 55.2 -65.6 -18.1 60.5 46.8 94.7 272 284 A R H >< S+ 0 0 71 -4,-0.8 3,-1.1 2,-0.2 4,-0.3 0.879 107.8 47.3 -81.3 -39.5 59.2 50.3 95.7 273 285 A I H >< S+ 0 0 4 -4,-2.3 3,-0.5 1,-0.3 4,-0.2 0.903 117.8 42.5 -65.7 -41.3 61.5 52.0 93.3 274 286 A L T 3X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.207 81.7 112.9 -90.5 17.1 60.6 49.6 90.5 275 287 A Q H <>>S+ 0 0 62 -3,-1.1 4,-1.3 1,-0.2 5,-0.6 0.870 81.0 43.0 -55.7 -40.2 56.9 49.8 91.5 276 288 A D H <45S+ 0 0 42 -3,-0.5 4,-0.5 -4,-0.3 -1,-0.2 0.821 112.1 54.4 -76.3 -32.5 56.0 51.6 88.3 277 289 A S H 45S+ 0 0 3 -4,-0.2 7,-0.2 2,-0.1 -2,-0.2 0.924 112.1 44.3 -67.0 -44.3 58.2 49.3 86.2 278 290 A L H <5S- 0 0 0 -4,-2.8 -2,-0.2 -7,-0.2 -3,-0.1 0.999 139.3 -4.9 -66.8 -74.7 56.5 46.2 87.5 279 291 A G T <5S+ 0 0 27 -4,-1.3 37,-0.4 -5,-0.2 -3,-0.2 0.495 118.9 74.2-103.4 2.6 52.8 46.9 87.4 280 292 A G S -M 28 0C 0 -265,-0.2 3,-0.5 1,-0.1 -265,-0.2 -0.246 64.1-143.1 -62.5 141.1 75.9 24.2 83.2 294 306 A S G > S+ 0 0 30 -267,-0.7 3,-1.8 1,-0.2 4,-0.3 0.845 102.3 65.2 -70.5 -34.8 74.5 21.0 84.6 295 307 A Y G 3 S+ 0 0 161 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.797 108.1 41.9 -57.4 -27.5 76.0 21.8 88.0 296 308 A N G <> S+ 0 0 28 -3,-0.5 4,-2.1 1,-0.2 3,-0.4 0.261 76.0 120.8-105.3 11.9 73.6 24.8 88.0 297 309 A E H <> S+ 0 0 63 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.810 73.2 51.9 -45.4 -43.3 70.5 23.1 86.7 298 310 A S H > S+ 0 0 94 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.931 110.2 45.1 -64.0 -48.8 68.3 23.9 89.7 299 311 A E H > S+ 0 0 33 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.864 112.2 55.9 -63.2 -34.2 69.0 27.6 89.9 300 312 A T H X S+ 0 0 2 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.941 107.8 44.7 -63.8 -49.0 68.4 27.7 86.1 301 313 A K H X S+ 0 0 59 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.944 113.1 54.3 -59.0 -43.8 64.9 26.2 86.3 302 314 A S H X S+ 0 0 44 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.912 111.7 43.2 -53.8 -46.6 64.3 28.5 89.2 303 315 A T H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.907 110.1 55.8 -67.7 -43.8 65.3 31.5 87.0 304 316 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.852 106.9 51.2 -58.0 -36.3 63.4 30.2 84.0 305 317 A L H X S+ 0 0 64 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.919 105.3 53.8 -68.1 -44.5 60.2 30.1 86.1 306 318 A F H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.897 110.7 49.7 -55.4 -40.4 60.6 33.6 87.4 307 319 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.901 106.6 53.5 -66.2 -42.5 60.8 34.6 83.7 308 320 A Q H X S+ 0 0 52 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.828 112.1 45.3 -63.7 -31.9 57.7 32.7 82.8 309 321 A R H >< S+ 0 0 128 -4,-2.0 3,-1.6 2,-0.2 4,-0.5 0.953 111.1 50.5 -74.8 -52.0 55.6 34.4 85.4 310 322 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -302,-0.5 0.840 102.1 64.2 -53.0 -37.2 56.9 37.9 84.7 311 323 A K H 3< S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.804 98.1 55.2 -58.6 -31.6 56.1 37.4 81.0 312 324 A T T << S+ 0 0 77 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.583 85.4 103.8 -81.4 -10.6 52.4 37.1 81.9 313 325 A I < - 0 0 6 -3,-1.4 -305,-1.8 -4,-0.5 2,-0.4 -0.425 57.5-153.1 -73.2 146.7 52.2 40.5 83.6 314 326 A K E -A 7 0A 104 -307,-0.2 2,-0.3 -58,-0.1 -307,-0.3 -0.978 5.5-160.5-127.6 134.8 50.6 43.4 81.8 315 327 A N E -A 6 0A 1 -309,-4.0 -309,-3.0 -2,-0.4 2,-0.7 -0.783 16.6-137.3-110.8 155.6 51.2 47.1 82.2 316 328 A T E +A 5 0A 64 -37,-0.4 -311,-0.2 -36,-0.4 2,-0.2 -0.902 37.8 175.1-111.9 99.7 49.0 50.1 81.2 317 329 A V E +A 4 0A 0 -313,-2.1 -313,-1.6 -2,-0.7 2,-0.3 -0.592 12.1 166.4-105.4 166.2 51.4 52.5 79.6 318 330 A C - 0 0 31 -315,-0.2 -241,-0.3 -2,-0.2 -315,-0.1 -0.953 44.5 -80.2-168.8 157.6 51.0 55.9 77.9 319 331 A V - 0 0 51 -317,-0.3 2,-0.9 -2,-0.3 -243,-0.2 -0.328 40.7-127.9 -65.5 149.8 53.2 58.8 76.8 320 332 A N + 0 0 28 -245,-2.7 -97,-1.3 -97,-0.3 2,-0.3 -0.775 35.7 175.9-104.9 90.6 54.0 61.2 79.5 321 333 A V E -L 222 0B 61 -2,-0.9 2,-0.5 -99,-0.2 -99,-0.2 -0.733 16.3-155.5 -96.7 141.6 53.1 64.7 78.3 322 334 A E E -L 221 0B 59 -101,-3.2 -101,-0.9 -2,-0.3 2,-0.3 -0.971 13.5-177.7-118.8 126.1 53.3 67.9 80.3 323 335 A L - 0 0 54 -2,-0.5 2,-0.1 -103,-0.1 -103,-0.1 -0.919 23.3-125.8-122.1 148.2 51.2 71.0 79.5 324 336 A T > - 0 0 76 -2,-0.3 4,-3.6 1,-0.1 5,-0.2 -0.446 38.1-102.0 -82.7 165.0 51.0 74.4 81.1 325 337 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.843 125.7 53.5 -54.9 -33.3 47.7 75.7 82.3 326 338 A E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.972 113.0 38.7 -65.5 -57.6 47.7 77.8 79.1 327 339 A Q H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 114.8 57.2 -59.2 -44.4 48.2 74.8 76.7 328 340 A W H X S+ 0 0 138 -4,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.914 107.5 45.2 -54.2 -51.3 46.0 72.7 78.9 329 341 A K H X S+ 0 0 116 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.885 106.3 59.5 -63.8 -41.5 42.9 75.0 78.6 330 342 A K H X S+ 0 0 159 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.960 112.9 39.4 -50.3 -54.2 43.3 75.5 74.9 331 343 A K H X S+ 0 0 135 -4,-2.0 4,-1.6 1,-0.2 5,-0.2 0.922 111.6 57.2 -61.9 -46.0 42.9 71.8 74.4 332 344 A Y H X S+ 0 0 110 -4,-2.6 4,-3.7 -5,-0.2 -1,-0.2 0.884 111.3 44.6 -52.4 -41.1 40.2 71.5 77.1 333 345 A E H X S+ 0 0 102 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.958 108.8 53.1 -68.1 -52.9 38.2 74.1 75.1 334 346 A K H < S+ 0 0 138 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.730 120.6 37.9 -55.3 -21.7 38.8 72.5 71.7 335 347 A E H < S+ 0 0 149 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.868 107.4 59.1 -95.3 -48.9 37.5 69.3 73.3 336 348 A K H < 0 0 124 -4,-3.7 -2,-0.2 -5,-0.2 -3,-0.2 0.630 360.0 360.0 -55.9 -12.6 34.8 70.8 75.6 337 349 A E < 0 0 203 -4,-1.3 -3,-0.0 -5,-0.1 -4,-0.0 -0.214 360.0 360.0 -43.8 360.0 33.4 72.0 72.2