==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-MAR-07 2P4N . COMPND 2 MOLECULE: KINESIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.V.SINDELAR,K.H.DOWNING . 1161 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 858 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 7.5 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 108 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 5 3 1 3 4 2 1 2 2 1 3 4 2 2 0 2 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 3 3 3 0 1 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 . 7 0 5 2 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 1 0 1 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 3 K D 0 0 150 0, 0.0 290,-0.2 0, 0.0 289,-0.0 0.000 360.0 360.0 360.0 -21.6 144.2 -6.1 39.3 2 4 K L - 0 0 101 288,-0.7 289,-0.1 1,-0.1 288,-0.0 0.985 360.0 -34.5 -64.0 -59.9 147.6 -5.2 40.8 3 5 K A S S- 0 0 73 287,-0.6 288,-0.1 0, 0.0 -1,-0.1 0.380 87.0-114.1-140.2 -9.6 146.7 -6.2 44.4 4 6 K E S S+ 0 0 67 286,-0.9 3,-0.1 288,-0.1 287,-0.1 0.801 95.2 26.4 67.3 112.0 143.0 -5.1 44.5 5 7 K C - 0 0 29 1,-0.2 2,-0.8 285,-0.1 288,-0.1 0.991 63.9-175.2 68.7 76.1 142.4 -2.3 46.9 6 8 K N E +a 293 0A 27 286,-0.6 288,-2.5 2,-0.0 2,-0.6 -0.464 33.4 148.6 -95.2 55.3 145.7 -0.5 47.0 7 9 K I E -a 294 0A 5 -2,-0.8 2,-0.3 286,-0.2 288,-0.2 -0.852 26.9-174.7-102.1 117.4 144.3 1.8 49.6 8 10 K K E -a 295 0A 103 286,-3.2 288,-2.3 -2,-0.6 2,-0.4 -0.823 7.4-158.4-107.6 146.1 146.5 3.2 52.3 9 11 K V E -a 296 0A 3 -2,-0.3 38,-2.0 286,-0.2 39,-0.9 -0.995 8.8-176.7-129.4 126.2 145.1 5.2 55.2 10 12 K M E -ab 297 48A 3 286,-2.4 288,-2.3 -2,-0.4 2,-0.5 -0.977 16.1-145.9-122.1 135.6 147.1 7.7 57.3 11 13 K C E -ab 298 49A 0 37,-2.5 39,-3.2 -2,-0.4 2,-0.5 -0.919 14.0-166.0-103.7 124.5 145.6 9.5 60.3 12 14 K R E -ab 299 50A 20 286,-3.0 288,-2.4 -2,-0.5 2,-0.4 -0.951 2.4-164.2-115.8 118.0 146.8 13.0 60.8 13 15 K F E -a 300 0A 1 37,-2.4 41,-0.3 -2,-0.5 288,-0.2 -0.794 10.2-152.0 -96.2 144.6 146.1 14.8 64.1 14 16 K R - 0 0 37 286,-1.7 38,-0.2 -2,-0.4 39,-0.1 -0.604 30.5 -85.7-107.4 168.8 146.6 18.6 64.2 15 17 K P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.428 52.6 -92.9 -72.9 153.6 147.6 20.7 67.3 16 18 K L - 0 0 45 286,-0.1 2,-0.2 -2,-0.1 11,-0.0 -0.441 48.9-130.5 -62.0 139.7 144.8 21.8 69.6 17 19 K N > - 0 0 50 1,-0.1 4,-2.4 -3,-0.1 3,-0.4 -0.514 19.8-103.5 -92.3 167.5 143.8 25.3 68.4 18 20 K E H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.805 120.8 55.7 -58.4 -33.0 143.4 28.4 70.5 19 21 K S H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 109.5 46.1 -68.2 -37.7 139.6 28.1 70.5 20 22 K E H >>S+ 0 0 6 -3,-0.4 5,-2.7 2,-0.2 4,-1.3 0.929 115.4 45.2 -70.9 -42.8 139.8 24.5 71.9 21 23 K V H <5S+ 0 0 87 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.918 113.0 51.9 -65.6 -42.7 142.3 25.5 74.5 22 24 K N H <5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 108.1 51.6 -60.9 -39.4 140.1 28.6 75.3 23 25 K R H <5S- 0 0 119 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.773 120.6-111.7 -68.6 -27.6 137.1 26.4 75.7 24 26 K G T <5 + 0 0 42 -4,-1.3 -3,-0.2 -3,-0.4 -2,-0.1 0.596 58.3 163.1 103.5 16.8 139.0 24.2 78.1 25 27 K D < - 0 0 19 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.225 26.8-138.8 -64.4 158.5 139.3 21.1 75.9 26 28 K K - 0 0 145 276,-0.0 278,-1.5 -10,-0.0 2,-1.0 -0.834 20.4-106.5-121.9 155.2 141.8 18.4 76.6 27 29 K Y B +J 303 0B 83 -2,-0.3 276,-0.2 276,-0.2 274,-0.0 -0.732 40.3 172.1 -82.1 104.7 144.1 16.3 74.4 28 30 K I + 0 0 23 274,-2.3 2,-0.4 -2,-1.0 12,-0.3 0.599 40.8 103.1 -90.9 -15.4 142.5 12.9 74.3 29 31 K A - 0 0 5 273,-0.5 2,-0.4 10,-0.1 10,-0.2 -0.589 48.6-170.8 -76.3 124.8 144.5 11.1 71.7 30 32 K K E -K 38 0C 120 8,-1.8 8,-3.0 -2,-0.4 2,-0.3 -0.907 11.9-143.4-112.2 144.1 147.2 8.7 73.0 31 33 K F E +K 37 0C 46 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.804 19.6 177.6-116.5 152.7 149.8 7.2 70.7 32 34 K Q E >> -K 36 0C 116 4,-2.3 4,-1.5 -2,-0.3 3,-0.7 -0.961 60.7 -23.4-148.6 127.8 151.5 3.8 70.3 33 35 K G T 34 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.097 96.1 -65.8 62.8-168.8 154.0 2.8 67.6 34 36 K E T 34 S+ 0 0 101 1,-0.1 15,-1.7 -3,-0.1 -1,-0.2 0.250 131.9 39.0 -99.4 13.7 154.0 4.7 64.3 35 37 K D T <4 S+ 0 0 61 -3,-0.7 11,-2.1 13,-0.3 2,-0.4 0.399 95.5 81.2-143.4 5.1 150.6 3.4 63.3 36 38 K T E < -KL 32 45C 22 -4,-1.5 -4,-2.3 9,-0.2 2,-0.4 -0.953 42.1-176.7-127.4 136.5 148.2 3.3 66.3 37 39 K V E -KL 31 44C 0 7,-2.2 7,-2.3 -2,-0.4 2,-0.5 -0.939 16.9-145.7-122.7 145.2 146.1 5.9 68.1 38 40 K V E +KL 30 43C 17 -8,-3.0 -8,-1.8 -2,-0.4 2,-0.4 -0.965 18.2 175.7-119.8 120.4 144.0 5.2 71.2 39 41 K I E > S- L 0 42C 0 3,-2.3 3,-1.8 -2,-0.5 -10,-0.1 -0.994 75.0 -11.1-125.5 127.2 140.7 6.9 71.8 40 42 K A T 3 S- 0 0 66 -2,-0.4 -1,-0.2 -12,-0.3 -11,-0.1 0.903 127.9 -57.9 49.7 47.3 138.6 6.0 74.8 41 43 K S T 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.126 113.5 118.3 73.1 -19.3 140.8 3.0 75.5 42 44 K K E < -L 39 0C 72 -3,-1.8 -3,-2.3 1,-0.0 2,-0.3 -0.640 58.1-139.0 -84.9 127.7 140.1 1.6 72.0 43 45 K P E -L 38 0C 72 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.625 15.5-170.7 -84.5 143.3 143.1 1.2 69.6 44 46 K Y E -L 37 0C 2 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.3 -0.969 6.3-164.3-135.2 113.6 142.9 2.1 65.9 45 47 K A E +L 36 0C 58 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.718 14.3 166.1 -98.5 152.8 145.8 1.1 63.7 46 48 K F - 0 0 14 -11,-2.1 -36,-0.2 -2,-0.3 3,-0.1 -0.845 58.0 -81.5-149.2 179.4 146.4 2.6 60.2 47 49 K D S S- 0 0 38 -38,-2.0 2,-0.3 1,-0.3 -37,-0.2 0.829 113.0 -14.2 -61.1 -27.3 149.2 2.7 57.7 48 50 K R E -b 10 0A 68 -39,-0.9 -37,-2.5 -13,-0.2 2,-0.5 -0.948 56.8-145.8-171.8 149.0 150.5 5.5 59.8 49 51 K V E -b 11 0A 16 -15,-1.7 2,-0.5 -2,-0.3 -37,-0.2 -0.994 16.9-154.7-125.4 119.9 149.5 8.0 62.5 50 52 K F E -b 12 0A 6 -39,-3.2 -37,-2.4 -2,-0.5 -2,-0.0 -0.853 12.7-139.5 -97.6 124.2 150.9 11.5 62.5 51 53 K Q > - 0 0 109 -2,-0.5 3,-2.0 -39,-0.2 -1,-0.0 -0.288 38.6 -82.7 -75.0 171.6 151.1 13.3 65.7 52 54 K S T 3 S+ 0 0 21 1,-0.3 -1,-0.1 -38,-0.2 -2,-0.0 0.553 124.3 46.5 -51.0 -20.4 150.3 17.1 66.1 53 55 K S T 3 S+ 0 0 116 -39,-0.1 -1,-0.3 2,-0.0 -39,-0.1 0.251 75.2 135.8-111.1 13.8 153.7 18.4 65.0 54 56 K T < - 0 0 20 -3,-2.0 2,-0.2 -41,-0.3 -4,-0.1 -0.305 53.9-119.9 -61.1 142.2 154.3 16.3 61.9 55 57 K S > - 0 0 47 1,-0.1 4,-2.3 4,-0.0 3,-0.4 -0.503 12.3-118.2 -86.0 160.9 155.6 18.4 59.0 56 58 K Q H > S+ 0 0 13 45,-0.3 4,-2.5 1,-0.3 5,-0.2 0.875 118.6 57.1 -60.2 -35.8 154.0 19.0 55.6 57 59 K E H > S+ 0 0 95 44,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.869 105.2 48.0 -63.5 -40.9 157.2 17.3 54.3 58 60 K Q H > S+ 0 0 88 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.923 112.0 50.0 -66.1 -44.8 156.6 14.1 56.3 59 61 K V H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.913 112.7 47.1 -61.3 -42.4 153.0 13.9 55.2 60 62 K Y H X>S+ 0 0 2 -4,-2.5 5,-2.6 3,-0.2 4,-2.3 0.933 113.0 47.5 -66.6 -45.7 154.0 14.3 51.5 61 63 K N H <5S+ 0 0 67 -4,-2.4 5,-0.4 3,-0.2 -2,-0.2 0.891 121.4 36.3 -63.1 -40.8 156.8 11.8 51.7 62 64 K D H <5S+ 0 0 62 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.887 129.4 30.3 -81.5 -36.0 154.7 9.2 53.4 63 65 K C H <5S+ 0 0 3 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.794 132.2 10.9 -96.1 -31.7 151.4 9.9 51.7 64 66 K A T X5S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.4 3,-0.4 0.718 95.4 86.9-122.7 -29.4 152.0 11.1 48.1 65 67 K K H > S+ 0 0 159 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.850 110.7 55.4 -60.7 -37.1 155.2 7.2 45.7 67 69 K I H > S+ 0 0 7 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.924 104.9 53.8 -63.0 -40.6 151.8 7.9 44.0 68 70 K V H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 107.3 51.7 -60.4 -39.3 153.5 10.8 42.0 69 71 K K H X S+ 0 0 85 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.918 108.3 51.4 -64.1 -40.4 156.1 8.3 40.8 70 72 K D H <>S+ 0 0 34 -4,-2.1 5,-2.9 2,-0.2 4,-0.2 0.910 107.5 52.2 -62.9 -42.2 153.3 5.9 39.7 71 73 K V H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.917 111.7 45.7 -60.3 -42.6 151.6 8.7 37.8 72 74 K L H 3<5S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.755 107.8 59.0 -70.8 -22.6 154.8 9.4 36.0 73 75 K E T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.482 130.7 -99.9 -80.9 -7.7 155.1 5.7 35.6 74 76 K G T < 5S+ 0 0 17 -3,-1.4 148,-0.4 1,-0.3 -3,-0.2 0.515 82.7 121.5 102.5 7.4 151.8 5.9 33.7 75 77 K Y < - 0 0 111 -5,-2.9 -1,-0.3 -8,-0.1 2,-0.2 -0.533 56.8-118.5-100.7 166.2 149.3 4.8 36.4 76 78 K N + 0 0 32 215,-0.3 217,-1.2 147,-0.2 2,-0.3 -0.638 33.5 173.0 -98.7 161.7 146.3 6.6 37.9 77 79 K G E -cd 225 293A 0 147,-2.0 149,-2.1 -2,-0.2 2,-0.3 -0.983 20.0-148.9-161.4 167.7 145.9 7.5 41.5 78 80 K T E -cd 226 294A 0 215,-1.7 217,-2.0 -2,-0.3 2,-0.4 -0.990 5.0-170.7-145.0 143.8 143.8 9.3 44.1 79 81 K I E -cd 227 295A 0 147,-1.8 149,-2.7 -2,-0.3 2,-0.3 -0.985 13.2-169.1-137.7 128.0 144.6 11.1 47.4 80 82 K F E -cd 228 296A 0 215,-2.3 217,-2.8 -2,-0.4 2,-0.5 -0.842 18.8-150.9-118.0 156.3 141.8 12.2 49.7 81 83 K A E -cd 229 297A 0 147,-1.5 149,-1.4 -2,-0.3 2,-0.3 -0.996 28.3-178.4-124.7 114.7 141.7 14.4 52.8 82 84 K Y E + d 0 298A 13 215,-2.8 217,-3.4 -2,-0.5 2,-0.2 -0.909 21.8 88.9-119.5 146.9 138.8 13.3 55.0 83 85 K G - 0 0 0 148,-0.4 150,-1.4 -2,-0.3 151,-0.2 -0.828 68.8 -55.3 151.3 169.5 137.6 14.7 58.3 84 86 K Q S > S- 0 0 14 215,-0.5 3,-1.8 148,-0.3 5,-0.3 -0.192 74.6 -72.3 -68.5 168.1 135.3 17.1 60.2 85 87 K T T 3 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.1 146,-0.0 -0.425 122.5 17.6 -66.7 134.9 135.4 20.8 59.5 86 88 K S T 3 S+ 0 0 87 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.384 89.9 118.5 80.8 7.0 138.6 22.4 60.8 87 89 K S S < S- 0 0 2 -3,-1.8 213,-0.3 212,-0.1 -73,-0.1 0.768 92.7 -91.9 -71.6 -31.2 140.3 19.0 61.2 88 90 K G S > S+ 0 0 17 -4,-0.3 4,-2.0 211,-0.2 5,-0.1 0.572 80.5 133.5 127.9 19.1 143.1 19.9 58.8 89 91 K K H > S+ 0 0 16 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.940 80.8 38.0 -61.9 -52.8 142.0 18.8 55.3 90 92 K T H >>S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-2.4 0.897 114.3 55.2 -68.2 -39.3 142.9 22.0 53.3 91 93 K H H 45S+ 0 0 104 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.5 42.9 -58.1 -42.3 146.0 22.6 55.4 92 94 K T H <5S+ 0 0 1 -4,-2.0 13,-2.6 1,-0.2 -2,-0.2 0.930 118.3 41.0 -71.7 -48.6 147.0 19.0 54.3 93 95 K M H <5S- 0 0 2 -4,-2.9 13,-3.1 11,-0.2 -2,-0.2 0.856 142.6 -6.6 -72.9 -35.0 146.0 19.1 50.7 94 96 K E T <5S+ 0 0 24 -4,-3.1 10,-3.3 -5,-0.2 -3,-0.2 0.667 75.0 169.1-129.9 -35.5 147.3 22.6 49.9 95 97 K G B S- 0 0 136 6,-2.0 3,-1.5 3,-0.2 -1,-0.1 -0.800 73.7-152.5 -89.2 99.6 150.4 27.7 52.1 97 99 K L T 3 S+ 0 0 13 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.671 89.0 30.2 -45.5 -29.6 150.5 27.3 48.3 98 100 K H T 3 S+ 0 0 119 -3,-0.0 -1,-0.3 4,-0.0 -3,-0.1 0.425 92.1 100.7-116.0 1.5 153.7 29.4 48.0 99 101 K D <> - 0 0 62 -3,-1.5 4,-2.0 1,-0.1 -3,-0.2 -0.786 62.4-148.9 -89.7 120.6 155.5 28.8 51.3 100 102 K P T 4 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.775 98.8 34.5 -58.9 -28.5 158.3 26.2 50.7 101 103 K E T 4 S+ 0 0 159 1,-0.1 -45,-0.3 -45,-0.0 -44,-0.2 0.874 123.8 41.3 -91.4 -46.9 157.9 24.9 54.3 102 104 K G T 4 S+ 0 0 17 -46,-0.1 -6,-2.0 -47,-0.1 -1,-0.1 0.478 84.0 117.5 -83.4 -4.2 154.1 25.4 54.8 103 105 K M B < -M 95 0D 12 -4,-2.0 -8,-0.3 -8,-0.3 -6,-0.1 -0.319 55.7-135.7 -65.6 147.9 152.9 24.2 51.4 104 106 K G > - 0 0 0 -10,-3.3 4,-1.8 -14,-0.1 -11,-0.2 -0.019 38.0 -69.0 -89.2-162.5 150.6 21.1 51.3 105 107 K I H > S+ 0 0 1 -13,-2.6 4,-2.0 1,-0.2 -11,-0.2 0.893 124.9 53.9 -58.5 -47.4 150.5 18.0 49.2 106 108 K I H > S+ 0 0 9 -13,-3.1 4,-2.4 2,-0.2 3,-0.3 0.950 108.9 46.0 -57.7 -52.5 149.4 19.6 46.0 107 109 K P H > S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.942 114.5 49.4 -56.7 -44.5 152.2 22.2 45.8 108 110 K R H X S+ 0 0 11 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.808 110.2 51.2 -64.0 -31.5 154.8 19.6 46.6 109 111 K I H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.910 110.5 47.3 -69.6 -48.1 153.3 17.2 43.9 110 112 K V H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.948 111.5 52.8 -56.7 -49.3 153.4 19.9 41.2 111 113 K Q H X S+ 0 0 82 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.928 111.5 45.3 -52.8 -51.3 157.0 20.7 42.3 112 114 K D H X S+ 0 0 37 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.788 109.5 55.0 -67.7 -29.6 158.0 17.0 42.0 113 115 K I H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.986 113.4 40.0 -68.0 -54.0 156.3 16.5 38.6 114 116 K F H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.933 113.5 54.5 -60.6 -43.7 158.1 19.4 36.9 115 117 K N H X S+ 0 0 75 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.872 109.8 48.0 -57.2 -39.0 161.5 18.6 38.6 116 118 K Y H >X S+ 0 0 62 -4,-1.7 3,-0.6 2,-0.2 4,-0.6 0.940 110.7 51.5 -65.2 -47.3 161.3 15.1 37.3 117 119 K I H >X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.3 3,-1.5 0.910 106.8 53.7 -54.9 -46.6 160.4 16.4 33.9 118 120 K Y H 3< S+ 0 0 110 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.791 107.6 50.8 -59.8 -32.9 163.5 18.8 34.0 119 121 K S H << S+ 0 0 98 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.514 115.8 43.8 -83.1 -8.6 165.7 15.8 34.8 120 122 K M H << + 0 0 42 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.835 67.3 127.4 -92.6 -79.4 164.2 13.9 31.8 121 123 K D < + 0 0 98 -4,-1.8 -3,-0.1 1,-0.2 -1,-0.1 0.429 53.0 91.4 34.6 11.6 164.1 16.5 29.0 122 124 K E S S- 0 0 137 -2,-0.3 -1,-0.2 -3,-0.0 -2,-0.1 0.865 106.9 -15.7 -92.4 -84.9 166.0 14.2 26.6 123 125 K N S S+ 0 0 57 -3,-0.1 92,-2.9 91,-0.1 2,-0.4 0.498 111.3 97.6-101.6 -6.2 163.8 11.9 24.5 124 126 K L E -E 214 0A 35 90,-0.3 2,-0.6 91,-0.1 90,-0.2 -0.717 55.3-159.5 -91.3 132.1 160.6 12.4 26.5 125 127 K E E -E 213 0A 97 88,-2.5 88,-1.6 -2,-0.4 2,-0.2 -0.943 17.2-160.8-110.3 112.8 157.9 14.9 25.4 126 128 K F E -E 212 0A 18 -2,-0.6 2,-0.3 86,-0.2 86,-0.2 -0.588 15.6-174.5 -97.3 157.1 155.6 15.8 28.2 127 129 K H E -E 211 0A 95 84,-2.3 84,-2.6 -2,-0.2 2,-0.5 -0.882 6.8-169.1-151.0 111.5 152.1 17.4 28.3 128 130 K I E +EF 210 171A 9 43,-0.6 43,-2.2 -2,-0.3 2,-0.4 -0.921 6.2 178.9-109.2 129.3 150.4 18.3 31.5 129 131 K K E -EF 209 170A 22 80,-2.0 80,-3.0 -2,-0.5 2,-0.3 -0.975 8.0-162.7-128.3 140.7 146.7 19.3 31.7 130 132 K V E -EF 208 169A 0 39,-2.6 39,-3.0 -2,-0.4 2,-0.3 -0.853 7.7-170.3-123.5 158.5 144.8 20.3 34.8 131 133 K S E -E 207 0A 10 76,-1.5 76,-2.8 -2,-0.3 2,-0.4 -0.974 3.1-166.9-142.9 146.6 141.1 20.5 35.7 132 134 K Y E +E 206 0A 9 -2,-0.3 11,-2.1 35,-0.3 12,-0.6 -0.942 21.9 149.5-142.5 114.9 139.6 22.0 38.9 133 135 K F E -EG 205 142A 5 72,-2.2 72,-2.9 -2,-0.4 2,-0.3 -0.930 28.5-139.8-142.5 164.8 136.0 21.5 39.8 134 136 K E E -EG 204 141A 3 7,-2.4 7,-2.3 -2,-0.3 2,-0.5 -0.919 6.3-143.2-128.3 154.3 133.8 21.2 42.9 135 137 K I E +EG 203 140A 1 68,-2.2 68,-2.3 -2,-0.3 2,-0.4 -0.980 24.9 166.6-120.0 119.1 130.8 19.0 43.9 136 138 K Y E > S- G 0 139A 71 3,-2.3 3,-1.5 -2,-0.5 66,-0.1 -0.999 75.0 -6.1-132.3 125.5 128.1 20.6 46.0 137 139 K L T 3 S- 0 0 120 64,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.861 128.2 -61.8 56.7 37.3 124.7 18.9 46.5 138 140 K D T 3 S+ 0 0 23 1,-0.2 2,-0.4 140,-0.0 -1,-0.3 0.767 113.5 121.1 59.2 28.9 125.9 16.2 44.0 139 141 K K E < -G 136 0A 73 -3,-1.5 -3,-2.3 13,-0.0 2,-0.5 -0.961 58.2-134.7-121.1 137.8 126.2 18.9 41.3 140 142 K I E -GH 135 151A 0 11,-0.7 11,-2.5 -2,-0.4 2,-0.4 -0.825 20.3-175.7 -98.8 127.9 129.5 19.6 39.5 141 143 K R E -G 134 0A 28 -7,-2.3 -7,-2.4 -2,-0.5 2,-0.5 -0.974 26.9-124.0-122.8 135.5 130.7 23.2 38.9 142 144 K D E -G 133 0A 0 6,-2.7 3,-0.5 3,-0.4 -9,-0.2 -0.656 14.3-162.6 -76.0 122.2 133.8 24.1 36.9 143 145 K L S S+ 0 0 0 -11,-2.1 44,-0.3 -2,-0.5 3,-0.2 0.596 92.3 53.5 -81.4 -11.2 136.1 26.3 39.1 144 146 K L S S+ 0 0 11 -12,-0.6 -1,-0.2 1,-0.3 2,-0.2 0.484 122.2 27.0 -96.4 -9.8 137.9 27.4 36.0 145 147 K D > - 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0 0 73 -2,-0.3 3,-3.1 1,-0.1 4,-0.3 -0.871 23.4-129.3-101.0 125.6 91.5 17.3 73.0 387 89 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.513 110.4 67.8 -52.7 3.9 92.7 17.9 69.4 388 90 A E T 3 S+ 0 0 115 1,-0.1 31,-0.1 3,-0.1 -3,-0.0 0.732 94.5 49.3 -95.1 -28.6 95.5 19.5 71.4 389 91 A Q S < S+ 0 0 12 -3,-3.1 -24,-1.7 1,-0.1 2,-0.5 0.100 96.8 83.6 -97.4 20.8 96.8 16.2 72.9 390 92 A L E -q 365 0F 10 -4,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.850 64.1-174.5-125.7 90.7 96.8 14.7 69.4 391 93 A I E +q 366 0F 7 -26,-2.5 -24,-0.6 -2,-0.5 2,-0.3 -0.721 6.9 171.2 -92.0 136.6 100.0 15.7 67.6 392 94 A T E -q 367 0F 40 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.984 28.9-153.6-142.8 151.3 100.6 14.7 64.0 393 95 A G - 0 0 4 -26,-1.4 19,-0.0 -2,-0.3 -2,-0.0 -0.746 12.7-156.4-127.0 81.1 103.1 15.5 61.2 394 96 A K S S+ 0 0 112 -2,-0.4 3,-0.1 -25,-0.2 -23,-0.1 0.645 74.3 87.6 -27.2 -27.0 101.1 15.1 58.0 395 97 A E S S- 0 0 40 1,-0.2 2,-0.4 -26,-0.1 471,-0.1 0.739 94.3 -48.2 -51.3-131.6 104.6 14.6 56.5 396 98 A D - 0 0 7 1,-0.2 -27,-0.2 -27,-0.1 -1,-0.2 -0.932 29.1-159.1-124.0 139.7 106.2 11.2 56.4 397 99 A A - 0 0 6 -2,-0.4 3,-0.3 -3,-0.1 12,-0.2 0.993 26.1-170.7 -70.8 -67.8 106.7 8.4 59.0 398 100 A A - 0 0 0 1,-0.2 2,-2.7 588,-0.1 6,-0.2 0.844 33.3-118.0 74.0 112.2 109.6 6.5 57.5 399 101 A N S S+ 0 0 12 43,-0.1 2,-0.4 4,-0.1 81,-0.2 -0.048 85.0 101.6 -73.6 43.7 110.6 3.2 59.1 400 102 A N > - 0 0 2 -2,-2.7 4,-2.1 -3,-0.3 5,-0.2 -0.974 67.2-144.3-137.5 125.1 113.9 4.6 59.9 401 103 A Y H >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 3,-0.9 0.931 96.3 55.6 -38.6 -79.7 115.2 6.0 63.2 402 104 A A H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.751 109.5 44.7 -21.3 -70.1 117.4 8.8 61.8 403 105 A R H 34>S+ 0 0 25 1,-0.2 6,-1.3 302,-0.2 5,-0.6 0.914 118.1 44.6 -50.4 -48.8 114.6 10.5 59.8 404 106 A G H <<5S+ 0 0 0 -4,-2.1 -1,-0.2 -3,-0.9 -2,-0.2 0.862 123.8 34.2 -67.9 -35.9 112.2 10.2 62.7 405 107 A H H <5S+ 0 0 14 -4,-2.6 -156,-0.2 -5,-0.2 -2,-0.2 0.967 133.9 14.7 -79.4 -70.0 114.7 11.3 65.3 406 108 A Y T X5S+ 0 0 35 -4,-2.0 4,-2.2 -158,-0.6 -157,-1.6 0.790 126.0 27.3 -70.8-116.9 116.8 13.9 63.5 407 109 A T H >5S+ 0 0 28 -159,-1.7 4,-0.7 302,-0.9 -158,-0.6 0.654 133.7 8.0 -11.6 -94.3 115.5 15.2 60.1 408 110 A I H >>> S+ 0 0 0 -6,-1.3 4,-1.6 1,-0.3 3,-0.5 0.698 98.4 68.9 -30.4 -31.9 110.8 14.0 63.8 410 112 A K H 3X S+ 0 0 23 -4,-2.2 4,-0.7 -7,-0.4 3,-0.4 0.960 87.8 60.7 -56.2 -58.2 112.7 17.1 64.9 411 113 A E H << S+ 0 0 78 -3,-1.5 4,-0.4 -4,-0.7 -1,-0.2 0.770 110.7 41.1 -39.7 -38.9 110.2 19.7 63.5 412 114 A I H S+ 0 0 73 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.857 114.5 52.9 -40.7 -49.5 105.2 21.3 69.7 416 118 A V H >X S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 4,-1.3 0.980 110.5 46.0 -52.7 -63.6 105.1 17.8 71.2 417 119 A L H >X S+ 0 0 0 -4,-3.6 3,-0.8 1,-0.3 4,-0.6 0.911 101.1 68.0 -43.0 -56.4 107.0 18.9 74.3 418 120 A D H >X S+ 0 0 61 -4,-2.9 4,-1.4 -5,-0.3 3,-0.9 0.801 102.5 46.1 -35.3 -43.7 104.8 22.0 74.6 419 121 A R H S- 0 0 14 -2,-1.2 5,-0.5 43,-0.3 -40,-0.1 -0.626 76.1-115.5-133.4-168.1 109.7 1.8 64.2 442 144 A G T >>S+ 0 0 3 -2,-0.2 5,-0.8 3,-0.2 4,-0.7 0.855 113.6 27.9 -97.5 -59.1 110.4 5.2 62.7 443 145 A T T 4>S+ 0 0 7 1,-0.2 5,-0.9 3,-0.2 -110,-0.1 0.756 127.2 50.0 -73.6 -24.6 108.2 7.5 64.8 444 146 A G T 45S+ 0 0 3 -6,-0.2 -5,-0.2 3,-0.2 -1,-0.2 0.867 119.4 29.5 -83.7 -38.7 108.4 5.1 67.7 445 147 A S T >5S+ 0 0 0 -7,-0.2 4,-2.0 3,-0.1 -3,-0.2 0.955 128.0 34.3 -81.9 -70.4 112.1 4.6 67.9 446 148 A G H >X>>XS+ 0 0 1 -5,-0.9 4,-2.7 1,-0.3 5,-0.9 0.884 99.5 72.1 -39.8 -51.2 110.8 9.3 71.3 449 151 A S H S+ 0 0 0 -81,-0.2 3,-3.1 1,-0.2 4,-0.3 0.702 74.1 132.7 -91.3 -25.8 115.5 -2.8 59.4 481 183 A E T 3> S+ 0 0 17 1,-0.3 4,-1.3 -41,-0.2 5,-0.2 0.399 71.7 54.0 6.9 -64.0 113.9 -3.1 62.8 482 184 A P H >> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 3,-0.6 0.909 102.9 55.8 -54.8 -44.3 117.2 -3.7 64.6 483 185 A Y H <> S+ 0 0 0 -3,-3.1 4,-0.9 1,-0.3 3,-0.3 0.965 112.8 44.2 -50.8 -49.5 118.7 -0.5 63.2 484 186 A N H 3> S+ 0 0 0 -4,-0.3 4,-0.5 1,-0.2 -43,-0.3 0.686 118.5 43.1 -68.6 -20.3 115.7 1.3 64.7 485 187 A S H X S+ 0 0 2 -4,-1.0 3,-2.5 1,-0.1 4,-1.8 0.762 97.8 80.9 -92.1 -28.1 116.9 6.4 75.7 493 195 A L T 3< S+ 0 0 3 -4,-2.5 70,-1.2 1,-0.3 -2,-0.1 0.825 93.6 47.1 -44.1 -46.6 119.1 4.4 78.0 494 196 A E T 34 S+ 0 0 115 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.064 119.3 42.9 -88.0 24.4 120.6 7.4 79.6 495 197 A H T <4 S+ 0 0 36 -3,-2.5 -2,-0.2 -31,-0.1 -1,-0.2 0.551 90.6 85.0-140.9 -24.2 117.2 9.0 80.0 496 198 A S < - 0 0 12 -4,-1.8 -31,-0.2 1,-0.1 3,-0.1 -0.413 52.1-155.4 -86.9 163.6 114.6 6.5 81.2 497 199 A D S S- 0 0 23 -33,-4.3 2,-0.3 1,-0.4 -32,-0.2 0.825 82.9 -7.2 -99.0 -51.2 113.9 5.4 84.8 498 200 A C E -t 465 0F 0 -34,-1.3 -32,-1.2 67,-0.0 2,-0.7 -0.955 65.1-153.0-150.2 125.0 112.4 2.0 84.2 499 201 A A E -t 466 0F 1 65,-2.5 2,-0.2 64,-1.1 -32,-0.2 -0.899 10.7-153.3-107.6 111.2 111.6 0.6 80.8 500 202 A F E -t 467 0F 5 -34,-1.3 -32,-3.1 -2,-0.7 2,-0.4 -0.567 12.6-153.6 -79.1 146.0 108.8 -2.0 80.8 501 203 A M E +tu 468 567F 1 65,-1.1 67,-1.9 -2,-0.2 2,-0.4 -0.981 19.3 177.5-130.8 133.6 108.9 -4.5 78.0 502 204 A V - 0 0 1 -34,-1.7 2,-0.6 -2,-0.4 99,-0.2 -0.972 24.4-140.3-133.9 112.9 106.2 -6.5 76.3 503 205 A D > - 0 0 4 97,-3.1 4,-0.6 -2,-0.4 5,-0.2 -0.653 3.6-148.4 -79.7 118.6 107.2 -8.8 73.4 504 206 A N H >> S+ 0 0 25 -34,-0.7 4,-0.7 -2,-0.6 3,-0.7 0.896 95.9 39.8 -52.0 -49.8 104.8 -8.8 70.5 505 207 A E H >> S+ 0 0 24 1,-0.2 3,-2.4 2,-0.2 4,-1.5 0.976 109.6 56.3 -65.7 -57.5 105.4 -12.4 69.5 506 208 A A H 3> S+ 0 0 9 1,-0.3 4,-0.6 2,-0.2 94,-0.5 0.548 105.1 57.2 -53.7 -5.9 105.7 -13.9 73.0 507 209 A I H X>S+ 0 0 25 -4,-1.5 4,-4.1 1,-0.3 3,-1.2 0.946 103.9 52.4 -50.3 -49.5 101.9 -17.6 72.2 510 212 A I H 3X5S+ 0 0 5 -4,-0.6 4,-1.3 1,-0.3 6,-0.3 0.829 109.3 50.0 -55.8 -32.6 99.8 -16.6 75.1 511 213 A C H <<5S+ 0 0 5 -4,-1.2 6,-0.4 -3,-0.7 -1,-0.3 0.685 120.0 36.2 -79.7 -18.9 96.9 -16.1 72.6 512 214 A R H <<5S+ 0 0 89 -4,-1.7 3,-0.4 -3,-1.2 4,-0.2 0.868 131.0 27.5 -95.2 -52.3 97.6 -19.5 71.1 513 215 A R H <5S+ 0 0 150 -4,-4.1 -3,-0.2 -5,-0.2 -2,-0.2 0.777 128.6 35.8 -83.6 -32.5 98.5 -21.5 74.2 514 216 A N S <> - 0 0 4 -2,-0.9 3,-3.4 538,-0.2 4,-1.0 -0.486 33.8-111.5 -79.1 155.0 94.1 -9.1 65.8 522 224 A Y H 3> S+ 0 0 26 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.909 119.3 72.6 -50.9 -38.1 96.5 -6.4 66.9 523 225 A T H 34 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.581 97.7 49.2 -54.0 -9.2 93.5 -5.1 68.6 524 226 A N H X> S+ 0 0 19 -3,-3.4 4,-2.2 2,-0.2 3,-1.0 0.887 103.1 51.9 -95.9 -55.9 94.0 -8.1 71.0 525 227 A L H 3X S+ 0 0 6 -4,-1.0 4,-2.6 1,-0.3 5,-0.4 0.884 111.6 54.6 -46.9 -37.3 97.6 -7.9 72.0 526 228 A N H 3X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 -1,-0.3 0.880 103.1 52.8 -64.7 -38.5 96.6 -4.3 72.8 527 229 A R H <4 S+ 0 0 41 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.830 111.7 50.3 -64.9 -31.1 93.8 -5.5 75.1 528 230 A L H >X S+ 0 0 22 -4,-2.2 3,-4.1 2,-0.2 4,-2.0 0.992 115.9 34.9 -72.3 -66.2 96.4 -7.5 76.8 529 231 A I H 3X S+ 0 0 2 -4,-2.6 4,-3.5 1,-0.3 5,-0.4 0.935 111.9 66.7 -52.5 -38.5 99.1 -5.0 77.4 530 232 A G H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.664 108.4 39.4 -53.4 -15.0 96.0 -2.8 77.8 531 233 A Q H X> S+ 0 0 5 -3,-4.1 4,-1.4 2,-0.2 3,-0.6 0.863 112.7 48.8 -97.7 -62.7 95.6 -5.1 80.9 532 234 A I H 3X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.3 3,-0.2 0.832 113.9 51.6 -47.8 -36.7 99.0 -5.5 82.3 533 235 A V H >X S+ 0 0 2 -4,-3.5 3,-1.1 -5,-0.3 4,-0.9 0.881 100.8 59.5 -69.6 -38.8 99.4 -1.7 82.0 534 236 A S H <4>S+ 0 0 0 -3,-0.6 5,-1.8 -5,-0.4 6,-0.3 0.803 103.3 54.6 -59.5 -27.3 96.1 -1.2 83.9 535 237 A S H 3<5S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.718 108.1 50.9 -76.7 -26.0 97.8 -3.0 86.7 536 238 A I H X5S+ 0 0 10 -4,-0.9 4,-2.7 3,-0.2 3,-0.8 0.983 124.2 54.8 -66.6 -86.9 99.3 2.9 86.8 538 240 A A H 345S+ 0 0 12 1,-0.3 -3,-0.2 2,-0.2 4,-0.1 0.645 121.1 24.1 -10.7 -90.3 95.5 2.7 86.9 539 241 A S H 34 - 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