==== 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 02-MAY-13 4KIK . COMPND 2 MOLECULE: INHIBITOR OF NUCLEAR FACTOR KAPPA-B KINASE SUBUNI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU,L.MOSYAK . 1268 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 924 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 55 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 588 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 1 2 0 4 1 1 0 3 1 2 0 4 2 0 0 2 0 2 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 6 0 0 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 PARALLEL BRIDGES PER LADDER . 11 6 1 5 6 0 2 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 . 1 2 1 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 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 9 A T 0 0 150 0, 0.0 2,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -15.7 31.8 41.0 -55.8 2 10 A Q - 0 0 78 7,-0.3 7,-2.8 5,-0.0 2,-0.3 -0.780 360.0-171.5 178.4 137.0 34.5 43.8 -56.4 3 11 A T E -A 8 0A 82 5,-0.2 5,-0.2 -2,-0.2 3,-0.1 -0.874 20.4-167.5-137.0 166.5 35.5 45.9 -59.5 4 12 A C E > -A 7 0A 21 3,-1.6 3,-1.5 -2,-0.3 2,-0.6 -0.497 69.5 -73.1-154.7 65.6 38.2 48.4 -60.6 5 13 A G T 3 S- 0 0 68 1,-0.3 -1,-0.2 67,-0.1 20,-0.1 -0.651 120.9 -3.6 77.5-113.1 36.9 50.0 -63.8 6 14 A A T 3 S+ 0 0 16 -2,-0.6 19,-3.1 -3,-0.1 2,-0.8 0.666 118.6 96.4 -79.8 -18.9 37.1 47.3 -66.5 7 15 A W E < -AB 4 24A 32 -3,-1.5 -3,-1.6 17,-0.2 2,-0.4 -0.661 57.8-173.2 -81.6 104.9 38.9 45.0 -64.0 8 16 A E E -AB 3 23A 52 15,-2.8 15,-3.0 -2,-0.8 2,-0.3 -0.858 22.6-122.0-103.7 132.8 36.3 42.7 -62.4 9 17 A M E + B 0 22A 30 -7,-2.8 -7,-0.3 -2,-0.4 13,-0.2 -0.578 35.8 175.1 -76.1 130.8 37.2 40.3 -59.4 10 18 A K E - 0 0 67 11,-3.2 -1,-0.1 -2,-0.3 12,-0.1 0.004 35.8 -26.6-114.6-149.7 36.6 36.5 -59.9 11 19 A E E - 0 0 92 1,-0.1 10,-2.4 9,-0.1 2,-0.4 -0.187 63.1 -99.9 -70.4 160.0 37.3 33.2 -58.0 12 20 A R E - B 0 20A 137 8,-0.2 8,-0.3 1,-0.1 -1,-0.1 -0.654 24.5-161.6 -79.0 130.5 39.9 32.5 -55.3 13 21 A L E - 0 0 65 6,-2.7 2,-0.3 1,-0.4 7,-0.2 0.795 62.1 -55.4 -84.9 -27.4 42.9 30.6 -56.8 14 22 A G E B 0 19A 28 5,-1.3 5,-2.5 0, 0.0 -1,-0.4 -0.911 360.0 360.0 164.0 173.6 44.1 29.4 -53.4 15 23 A T 0 0 139 -2,-0.3 3,-0.2 3,-0.2 5,-0.0 -0.939 360.0 360.0-119.6 360.0 45.2 30.5 -49.9 16 ! 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 17 27 A G 0 0 48 0, 0.0 19,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-176.4 47.0 35.9 -47.5 18 28 A N - 0 0 64 17,-0.3 17,-2.3 -3,-0.2 2,-0.5 -0.349 360.0-142.9 -77.4 151.9 44.8 34.9 -50.5 19 29 A V E -BC 14 34A 32 -5,-2.5 -6,-2.7 15,-0.2 -5,-1.3 -0.949 25.8-179.6-112.3 122.7 45.4 34.8 -54.3 20 30 A I E -BC 12 33A 25 13,-1.6 13,-2.9 -2,-0.5 2,-0.3 -0.967 24.6-122.7-128.8 142.4 42.3 35.8 -56.4 21 31 A R E - C 0 32A 32 -10,-2.4 -11,-3.2 -2,-0.3 2,-0.4 -0.668 22.4-165.1 -83.6 138.6 41.8 36.0 -60.2 22 32 A W E -BC 9 31A 9 9,-2.3 9,-2.0 -2,-0.3 2,-0.4 -0.961 3.2-158.9-123.4 140.3 40.8 39.4 -61.8 23 33 A H E -BC 8 30A 49 -15,-3.0 -15,-2.8 -2,-0.4 2,-0.7 -0.988 16.9-131.5-125.5 130.3 39.5 39.6 -65.4 24 34 A N E > -B 7 0A 13 5,-3.0 4,-2.4 -2,-0.4 -17,-0.2 -0.741 13.3-158.9 -81.2 111.8 39.4 42.7 -67.7 25 35 A Q T 4 S+ 0 0 108 -19,-3.1 -1,-0.2 -2,-0.7 -18,-0.1 0.773 90.5 43.2 -60.1 -32.7 35.9 42.9 -69.1 26 36 A E T 4 S+ 0 0 168 -20,-0.1 -1,-0.2 1,-0.1 -19,-0.0 0.892 128.1 22.5 -82.3 -49.2 37.1 45.2 -72.0 27 37 A T T 4 S- 0 0 102 2,-0.1 -2,-0.2 -21,-0.1 3,-0.1 0.675 93.0-125.5 -96.8 -22.9 40.4 43.4 -73.1 28 38 A G < + 0 0 38 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.495 56.7 153.7 86.1 6.6 39.9 39.8 -71.8 29 39 A E - 0 0 82 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.3 -0.409 30.8-150.9 -70.8 140.2 43.2 40.0 -69.8 30 40 A Q E +C 23 0A 54 -7,-0.2 55,-0.9 55,-0.1 2,-0.3 -0.904 16.6 174.5-119.1 144.0 43.6 37.9 -66.7 31 41 A I E -CD 22 84A 3 -9,-2.0 -9,-2.3 -2,-0.3 2,-0.4 -0.916 23.4-136.8-139.0 158.5 45.8 38.6 -63.6 32 42 A A E -CD 21 83A 7 51,-2.7 51,-2.9 -2,-0.3 2,-0.6 -0.985 19.5-158.2-119.1 128.0 46.3 36.9 -60.2 33 43 A I E -CD 20 82A 6 -13,-2.9 -13,-1.6 -2,-0.4 2,-0.5 -0.937 7.5-157.6-116.6 121.7 46.5 39.2 -57.1 34 44 A K E +CD 19 81A 28 47,-2.7 47,-2.7 -2,-0.6 2,-0.3 -0.814 25.8 177.5 -89.9 124.4 48.1 38.2 -53.8 35 45 A Q - 0 0 51 -17,-2.3 2,-0.4 -2,-0.5 -17,-0.3 -0.979 22.8-157.4-128.0 147.8 46.6 40.3 -51.0 36 46 A C + 0 0 8 -2,-0.3 42,-0.3 42,-0.2 -2,-0.0 -0.953 18.1 168.3-128.3 113.9 47.0 40.5 -47.3 37 47 A R + 0 0 174 -2,-0.4 -1,-0.1 2,-0.1 40,-0.1 0.546 57.8 101.9 -90.4 -12.9 44.2 42.0 -45.1 38 48 A Q S S- 0 0 129 -3,-0.1 2,-0.4 38,-0.1 -2,-0.1 -0.249 78.4-118.2 -68.9 157.3 46.0 40.6 -42.1 39 49 A E - 0 0 187 37,-0.1 2,-0.3 38,-0.1 -1,-0.1 -0.858 38.8-159.7 -98.1 128.6 48.2 42.7 -39.7 40 50 A L - 0 0 52 -2,-0.4 5,-0.0 1,-0.0 0, 0.0 -0.792 22.3-103.3-116.0 161.6 51.8 41.5 -39.7 41 51 A S > - 0 0 57 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.416 46.0-107.4 -70.1 149.5 55.0 41.6 -37.6 42 52 A P H > S+ 0 0 112 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.800 120.6 53.8 -52.6 -29.8 57.6 44.1 -39.0 43 53 A R H > S+ 0 0 202 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.903 111.8 42.2 -69.9 -43.7 59.8 41.2 -40.2 44 54 A N H > S+ 0 0 60 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.726 111.1 57.0 -75.7 -23.7 56.9 39.5 -42.1 45 55 A R H X S+ 0 0 103 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.909 110.9 43.2 -68.1 -44.4 55.8 42.9 -43.4 46 56 A E H X S+ 0 0 99 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.861 110.7 56.1 -65.3 -43.0 59.4 43.3 -44.8 47 57 A R H X S+ 0 0 112 -4,-1.9 4,-1.2 1,-0.2 109,-0.6 0.805 107.6 49.7 -58.1 -39.0 59.3 39.6 -46.1 48 58 A W H X S+ 0 0 20 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.918 113.7 43.5 -66.5 -50.1 56.1 40.5 -48.1 49 59 A C H X S+ 0 0 44 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.912 109.7 57.0 -64.6 -44.3 57.6 43.7 -49.7 50 60 A L H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.840 105.2 52.3 -55.7 -39.6 60.9 41.8 -50.4 51 61 A E H X S+ 0 0 10 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.924 108.4 49.1 -64.5 -48.0 58.9 39.2 -52.4 52 62 A I H X S+ 0 0 10 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.875 113.8 48.6 -56.9 -40.2 57.1 41.9 -54.6 53 63 A Q H X S+ 0 0 123 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.872 110.7 49.0 -65.9 -45.4 60.6 43.4 -55.2 54 64 A I H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.944 112.5 49.0 -62.3 -49.1 62.2 40.0 -56.1 55 65 A M H < S+ 0 0 5 -4,-2.6 11,-0.5 1,-0.2 -1,-0.2 0.809 108.9 52.1 -57.2 -42.1 59.3 39.2 -58.6 56 66 A R H < S+ 0 0 130 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.785 113.3 45.8 -67.4 -32.7 59.6 42.7 -60.3 57 67 A R H < S+ 0 0 140 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.944 99.8 79.3 -74.2 -55.9 63.4 42.1 -60.8 58 68 A L < + 0 0 13 -4,-2.3 8,-0.4 -5,-0.1 2,-0.3 -0.185 52.0 179.0 -61.8 144.7 63.2 38.5 -62.2 59 69 A T + 0 0 116 6,-0.1 5,-0.1 3,-0.0 6,-0.1 -0.839 19.2 137.6-153.6 106.3 62.2 37.7 -65.8 60 70 A H > - 0 0 36 3,-0.5 3,-1.8 -2,-0.3 59,-0.0 -0.975 56.3-122.6-152.1 141.6 62.1 34.1 -67.1 61 71 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 58,-0.1 0.644 114.9 44.5 -57.6 -16.5 59.8 32.0 -69.3 62 72 A N T 3 S+ 0 0 11 56,-0.1 89,-1.5 88,-0.1 2,-0.4 -0.069 100.1 77.4-119.2 28.6 59.3 29.4 -66.4 63 73 A V B < S-f 151 0B 6 -3,-1.8 -3,-0.5 87,-0.3 89,-0.1 -0.983 93.6-101.0-138.3 122.6 58.8 31.9 -63.5 64 74 A V - 0 0 6 87,-1.9 2,-0.2 -2,-0.4 -2,-0.1 -0.197 44.2-122.7 -49.6 124.8 55.4 33.7 -63.0 65 75 A A - 0 0 29 -4,-0.1 19,-2.0 1,-0.1 2,-0.2 -0.490 15.9-120.3 -73.5 141.2 55.7 37.2 -64.4 66 76 A A B -E 83 0A 27 -11,-0.5 2,-0.3 -8,-0.4 17,-0.3 -0.511 31.5-162.2 -78.1 147.1 55.0 40.3 -62.3 67 77 A R - 0 0 88 15,-2.8 15,-0.5 -2,-0.2 2,-0.2 -0.909 24.6 -96.0-129.2 158.7 52.3 42.5 -63.5 68 78 A D - 0 0 150 -2,-0.3 15,-0.1 13,-0.1 13,-0.0 -0.481 40.4-114.1 -69.4 141.3 51.2 46.2 -62.8 69 79 A V - 0 0 49 -2,-0.2 3,-0.1 11,-0.1 4,-0.1 -0.684 44.2-101.8 -75.9 125.1 48.5 46.7 -60.2 70 80 A P > - 0 0 14 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.238 45.9 -94.3 -52.1 134.3 45.4 48.1 -62.1 71 81 A E T 3 S+ 0 0 198 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 -0.297 110.1 22.8 -56.8 124.1 45.0 51.9 -61.6 72 82 A G T 3 S+ 0 0 61 -3,-0.1 2,-2.4 1,-0.1 -1,-0.3 0.429 72.6 144.6 97.6 5.8 42.7 52.8 -58.8 73 83 A M < 0 0 27 -3,-1.7 7,-0.1 1,-0.2 -1,-0.1 -0.431 360.0 360.0 -80.0 70.6 43.0 49.4 -56.9 74 84 A Q 0 0 239 -2,-2.4 -1,-0.2 -3,-0.1 -3,-0.0 0.402 360.0 360.0 -33.1 360.0 42.7 51.3 -53.5 75 ! 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 76 89 A N 0 0 66 0, 0.0 -40,-0.1 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0-167.1 45.8 46.3 -45.1 77 90 A D + 0 0 156 -40,-0.1 -40,-0.1 2,-0.0 -38,-0.1 0.583 360.0 106.1 -69.0 -14.3 48.3 49.2 -45.8 78 91 A L S S- 0 0 13 -42,-0.3 -42,-0.2 1,-0.1 -33,-0.0 -0.436 78.5-107.4 -69.7 140.4 50.6 46.7 -47.6 79 92 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.116 32.2-108.7 -65.2 165.0 50.7 46.7 -51.4 80 93 A L - 0 0 25 -7,-0.1 2,-0.7 -45,-0.1 -45,-0.2 -0.605 18.8-130.5 -89.9 156.2 49.2 44.1 -53.6 81 94 A L E -D 34 0A 2 -47,-2.7 -47,-2.7 -2,-0.2 2,-0.5 -0.904 22.7-164.2-108.4 103.2 51.1 41.5 -55.6 82 95 A A E +D 33 0A 0 -2,-0.7 -15,-2.8 -15,-0.5 2,-0.3 -0.760 17.2 170.6 -90.0 127.5 49.8 41.5 -59.2 83 96 A M E -DE 32 66A 15 -51,-2.9 -51,-2.7 -2,-0.5 -17,-0.2 -0.876 39.1 -86.2-131.6 165.0 51.0 38.4 -61.2 84 97 A E E -D 31 0A 19 -19,-2.0 2,-0.5 -2,-0.3 -53,-0.2 -0.424 45.1-119.2 -68.0 144.2 50.2 36.7 -64.6 85 98 A Y - 0 0 43 -55,-0.9 2,-0.8 -2,-0.1 -55,-0.1 -0.807 19.1-150.9 -90.3 127.2 47.3 34.3 -64.5 86 99 A C > - 0 0 9 -2,-0.5 3,-1.7 1,-0.1 54,-0.3 -0.873 3.3-160.7-103.3 101.2 48.2 30.7 -65.4 87 100 A Q T 3 S+ 0 0 104 -2,-0.8 54,-0.2 1,-0.3 -1,-0.1 0.627 83.3 64.8 -53.3 -26.8 45.2 29.0 -67.1 88 101 A G T 3 S- 0 0 4 52,-2.4 -1,-0.3 1,-0.2 53,-0.2 0.733 96.5-142.8 -75.2 -22.8 46.4 25.5 -66.5 89 102 A G E < -G 140 0B 15 -3,-1.7 51,-2.6 51,-0.8 -1,-0.2 -0.240 37.9 -33.5 83.0-179.0 46.2 25.8 -62.7 90 103 A D E > -G 139 0B 49 49,-0.3 4,-1.0 1,-0.1 49,-0.3 -0.284 51.3-118.7 -76.2 161.1 48.5 24.3 -60.1 91 104 A L H > S+ 0 0 2 47,-2.3 4,-2.6 44,-1.3 45,-0.2 0.780 111.0 65.2 -69.9 -27.9 50.4 20.9 -60.5 92 105 A R H > S+ 0 0 40 43,-0.8 4,-1.6 46,-0.3 -1,-0.2 0.918 99.5 52.9 -62.0 -41.0 48.6 19.5 -57.3 93 106 A K H > S+ 0 0 113 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.872 110.9 47.0 -58.1 -43.3 45.3 19.7 -59.3 94 107 A Y H >< S+ 0 0 66 -4,-1.0 3,-0.9 1,-0.2 -2,-0.2 0.925 110.9 50.5 -65.7 -45.9 46.9 17.7 -62.2 95 108 A L H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.762 108.4 54.4 -62.0 -27.7 48.3 15.1 -59.8 96 109 A N H 3< S+ 0 0 65 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.681 76.7 114.1 -83.6 -18.0 44.8 14.8 -58.2 97 110 A Q S X< S- 0 0 75 -3,-0.9 3,-2.4 -4,-0.9 -3,-0.0 -0.330 75.9-127.8 -53.6 123.3 43.1 14.0 -61.7 98 111 A F G > S+ 0 0 55 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.755 107.1 60.5 -52.2 -30.8 41.9 10.4 -61.1 99 112 A E G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.344 101.5 57.1 -78.9 3.3 43.6 9.2 -64.3 100 113 A N G X + 0 0 20 -3,-2.4 3,-1.1 -5,-0.1 -1,-0.3 -0.026 67.6 111.8-121.4 22.9 47.0 10.4 -62.8 101 114 A C T < S+ 0 0 24 -3,-1.1 -2,-0.1 1,-0.3 3,-0.1 0.869 85.4 41.6 -67.0 -36.1 46.8 8.2 -59.6 102 115 A C T 3 S- 0 0 7 1,-0.4 94,-0.3 303,-0.2 -1,-0.3 -0.248 133.3 -75.4-103.3 40.1 49.8 6.1 -60.9 103 116 A G < - 0 0 1 -3,-1.1 -1,-0.4 -8,-0.2 91,-0.2 0.082 58.5 -64.4 88.4 164.5 51.7 9.1 -62.2 104 117 A L - 0 0 10 89,-3.0 138,-0.5 1,-0.1 -4,-0.0 -0.209 59.6 -84.6 -78.2 170.4 51.5 11.5 -65.2 105 118 A R B > -i 242 0C 121 249,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.315 41.5-106.6 -74.9 159.7 52.0 10.7 -68.9 106 119 A E H > S+ 0 0 5 136,-0.6 4,-2.3 1,-0.2 3,-0.2 0.869 119.4 50.6 -55.3 -43.8 55.5 10.6 -70.4 107 120 A G H > S+ 0 0 2 249,-1.8 4,-2.3 247,-0.3 248,-0.2 0.929 109.4 50.7 -60.6 -47.2 55.0 13.9 -72.4 108 121 A A H > S+ 0 0 15 246,-1.2 4,-1.2 248,-0.2 -1,-0.2 0.733 110.7 50.1 -61.0 -32.0 53.8 15.7 -69.2 109 122 A I H X S+ 0 0 1 -4,-1.4 4,-2.8 -3,-0.2 -1,-0.2 0.917 109.7 49.4 -75.9 -46.8 56.9 14.4 -67.3 110 123 A L H X S+ 0 0 43 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 113.9 45.6 -60.5 -43.2 59.4 15.6 -69.9 111 124 A T H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 38,-0.3 0.849 114.2 49.8 -70.3 -32.9 57.8 19.1 -70.1 112 125 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 -5,-0.2 5,-0.3 0.977 112.7 45.3 -63.4 -57.4 57.7 19.3 -66.3 113 126 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.919 116.5 46.0 -51.6 -52.0 61.3 18.3 -65.8 114 127 A S H X S+ 0 0 57 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.870 115.8 44.3 -58.6 -51.7 62.6 20.6 -68.6 115 128 A D H X S+ 0 0 4 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.828 117.4 43.9 -64.9 -41.7 60.5 23.7 -67.5 116 129 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.856 112.0 52.0 -79.0 -34.5 61.3 23.3 -63.7 117 130 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.946 111.4 48.6 -64.2 -42.7 65.1 22.6 -64.3 118 131 A S H X S+ 0 0 45 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.837 114.2 46.0 -62.7 -37.4 65.3 25.8 -66.4 119 132 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.908 112.5 48.6 -73.7 -46.6 63.5 27.9 -63.8 120 133 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.899 110.4 53.3 -59.4 -44.0 65.5 26.5 -60.8 121 134 A R H X S+ 0 0 77 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.882 111.1 45.9 -57.2 -45.0 68.7 27.2 -62.9 122 135 A Y H X S+ 0 0 32 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.911 115.3 46.9 -64.1 -46.8 67.6 30.9 -63.4 123 136 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-0.6 0.969 113.6 46.5 -60.2 -54.6 66.7 31.2 -59.7 124 137 A H H ><5S+ 0 0 27 -4,-3.2 3,-1.1 1,-0.2 -1,-0.2 0.814 111.7 51.3 -60.4 -36.4 69.9 29.7 -58.4 125 138 A E H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.7 50.0 -71.9 -27.3 72.1 31.8 -60.8 126 139 A N T <<5S- 0 0 52 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.127 124.9-111.4 -94.1 16.4 70.2 35.0 -59.5 127 140 A R T < 5S+ 0 0 188 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.703 71.7 140.3 58.7 38.6 71.0 33.6 -56.0 128 141 A I < - 0 0 28 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.916 34.2-164.5-111.2 121.2 67.4 32.8 -55.1 129 142 A I - 0 0 39 -2,-0.5 50,-0.0 1,-0.2 3,-0.0 -0.954 7.0-157.1-107.2 120.5 66.8 29.5 -53.1 130 143 A H - 0 0 12 -2,-0.5 2,-0.8 1,-0.1 -1,-0.2 0.932 12.8-178.5 -64.6 -53.9 63.1 28.5 -53.2 131 144 A R S S+ 0 0 109 48,-0.1 37,-0.2 1,-0.1 -1,-0.1 -0.140 74.9 57.1 76.4 -28.2 63.2 26.3 -50.0 132 145 A D + 0 0 51 -2,-0.8 2,-0.2 21,-0.2 -1,-0.1 -0.191 68.4 156.6-123.3 40.6 59.4 25.4 -50.4 133 146 A L + 0 0 0 33,-0.1 56,-0.1 3,-0.1 5,-0.1 -0.520 20.0 130.0 -69.5 127.9 59.3 23.8 -54.0 134 147 A K S > S- 0 0 47 -2,-0.2 3,-2.2 54,-0.1 -43,-0.2 -0.951 73.7 -84.0-167.6 167.0 56.3 21.5 -54.3 135 148 A P G > S+ 0 0 0 0, 0.0 -44,-1.3 0, 0.0 3,-1.2 0.798 125.9 58.6 -54.1 -30.3 53.3 20.8 -56.7 136 149 A E G 3 S+ 0 0 73 1,-0.3 -3,-0.1 -45,-0.2 -46,-0.0 0.656 104.7 52.2 -70.1 -19.8 51.3 23.6 -55.0 137 150 A N G < S+ 0 0 14 -3,-2.2 15,-2.2 -5,-0.1 2,-0.4 0.169 97.1 78.3-105.8 16.6 54.1 26.0 -55.9 138 151 A I E < - H 0 151B 0 -3,-1.2 -47,-2.3 13,-0.2 -46,-0.3 -0.996 60.3-174.4-125.8 123.6 54.1 25.0 -59.7 139 152 A V E -GH 90 150B 23 11,-2.2 11,-3.0 -2,-0.4 2,-0.5 -0.871 19.1-130.0-120.1 153.2 51.3 26.5 -61.9 140 153 A L E -GH 89 149B 5 -51,-2.6 -52,-2.4 -2,-0.3 -51,-0.8 -0.913 18.0-161.6-108.2 124.9 50.6 25.7 -65.6 141 154 A Q E - H 0 148B 22 7,-3.3 7,-3.0 -2,-0.5 2,-0.8 -0.806 26.4-112.7-105.0 148.8 50.2 28.4 -68.2 142 155 A Q E - H 0 147B 93 -2,-0.3 5,-0.2 5,-0.2 -55,-0.1 -0.730 39.2-174.6 -84.0 110.1 48.6 27.9 -71.5 143 156 A G - 0 0 19 3,-2.2 4,-0.0 -2,-0.8 -1,-0.0 -0.157 42.6 -91.5 -84.9-173.8 51.3 28.2 -74.3 144 157 A E S S+ 0 0 184 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.855 118.5 3.4 -73.3 -34.8 50.7 28.2 -78.0 145 158 A Q S S+ 0 0 161 1,-0.2 2,-0.2 207,-0.1 -1,-0.1 0.503 132.5 22.0-127.4 -15.7 51.1 24.4 -78.5 146 159 A R S S- 0 0 56 207,-0.1 -3,-2.2 208,-0.1 2,-0.5 -0.885 81.7 -90.3-145.7 174.8 51.7 23.1 -74.9 147 160 A L E - H 0 142B 19 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.836 40.2-146.5 -92.2 125.8 51.2 23.8 -71.1 148 161 A I E - H 0 141B 35 -7,-3.0 -7,-3.3 -2,-0.5 2,-0.3 -0.862 6.7-138.1 -96.6 125.2 54.2 25.7 -69.7 149 162 A H E - H 0 140B 9 -2,-0.5 2,-0.3 -38,-0.3 -9,-0.2 -0.651 25.5-175.3 -82.0 134.3 55.2 24.9 -66.0 150 163 A K E - H 0 139B 19 -11,-3.0 -11,-2.2 -2,-0.3 2,-0.4 -0.945 22.1-121.9-129.9 148.7 56.0 28.1 -64.0 151 164 A I E +fH 63 138B 0 -89,-1.5 -87,-1.9 -2,-0.3 2,-0.2 -0.745 31.7 179.0 -94.3 139.1 57.4 28.5 -60.4 152 165 A I + 0 0 37 -15,-2.2 -15,-0.1 -2,-0.4 -16,-0.0 -0.717 44.5 52.3-127.4 175.4 55.4 30.6 -57.9 153 166 A D + 0 0 58 -2,-0.2 -21,-0.2 1,-0.1 -1,-0.2 0.977 43.1 172.9 56.2 79.8 55.8 31.7 -54.2 154 167 A L + 0 0 6 -3,-0.1 -1,-0.1 -103,-0.1 -100,-0.1 -0.237 19.2 173.0-104.6 41.6 59.3 33.2 -53.8 155 168 A G 0 0 36 1,-0.1 -107,-0.1 -23,-0.0 -23,-0.1 -0.052 360.0 360.0 -47.3 147.0 58.5 34.3 -50.2 156 169 A Y 0 0 142 -109,-0.6 -1,-0.1 -112,-0.1 -108,-0.1 0.788 360.0 360.0-104.3 360.0 61.5 35.7 -48.3 157 ! 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 0.0 158 180 A T 0 0 142 0, 0.0 45,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.4 48.3 16.1 -43.1 159 181 A S > + 0 0 97 3,-0.1 4,-0.9 4,-0.0 0, 0.0 0.849 360.0 10.1 -99.2 -66.5 48.4 19.7 -41.6 160 182 A F H > S+ 0 0 130 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.894 134.6 48.9 -79.2 -48.0 51.8 19.9 -39.7 161 183 A V H 4 S+ 0 0 17 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.809 106.5 64.3 -61.3 -25.3 53.2 16.6 -41.2 162 184 A G H >4 S+ 0 0 27 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.915 95.9 52.7 -61.5 -48.7 52.0 18.2 -44.5 163 185 A T H 3< S+ 0 0 79 -4,-0.9 3,-0.5 -3,-0.4 -1,-0.2 0.795 107.6 52.4 -60.8 -33.6 54.4 21.1 -44.4 164 186 A L T >< S+ 0 0 33 -4,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.530 79.8 100.0 -78.0 -16.1 57.5 18.8 -43.9 165 187 A Q T < S+ 0 0 30 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.674 93.3 25.9 -55.1 -28.0 56.7 16.5 -47.0 166 188 A Y T 3 S+ 0 0 11 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.323 92.3 123.2-119.1 4.8 59.2 18.1 -49.5 167 189 A L < - 0 0 37 -3,-1.2 -35,-0.1 -4,-0.1 5,-0.1 -0.456 67.8-113.8 -69.6 135.7 61.8 19.5 -47.0 168 190 A A >> - 0 0 0 -37,-0.2 3,-2.2 -2,-0.2 4,-0.6 -0.437 28.9-117.6 -68.2 138.1 65.4 18.4 -47.4 169 191 A P H >> S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.835 113.0 64.2 -50.3 -36.1 66.4 16.3 -44.3 170 192 A E H 3> S+ 0 0 4 1,-0.3 4,-2.9 91,-0.2 11,-0.0 0.737 92.6 64.9 -55.0 -30.1 69.1 18.9 -43.3 171 193 A L H <4 S+ 0 0 23 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.0 0.795 103.5 44.0 -69.4 -29.7 66.3 21.4 -42.8 172 194 A L H << S+ 0 0 75 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.737 120.0 45.1 -80.4 -24.3 64.8 19.4 -39.9 173 195 A E H < S+ 0 0 99 -4,-1.0 2,-0.2 1,-0.1 -2,-0.2 0.786 119.7 7.2 -88.1 -40.1 68.4 19.0 -38.5 174 196 A Q < - 0 0 99 -4,-2.9 -1,-0.1 1,-0.1 3,-0.0 -0.860 56.7-120.6-144.5 179.1 69.9 22.5 -38.8 175 197 A Q S S+ 0 0 166 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.1 0.935 86.1 59.4 -88.7 -63.0 69.6 26.3 -39.6 176 198 A K + 0 0 169 -6,-0.0 2,-0.2 1,-0.0 -2,-0.1 -0.456 65.4 167.4 -74.5 147.0 71.9 27.3 -42.5 177 199 A Y - 0 0 79 -2,-0.1 2,-0.2 -6,-0.0 -2,-0.0 -0.869 21.2-136.1-149.4-179.6 71.4 25.5 -45.9 178 200 A T > - 0 0 79 -2,-0.2 3,-2.1 85,-0.0 4,-0.2 -0.777 45.2 -78.0-135.2-178.7 72.4 25.6 -49.7 179 201 A V T >> S+ 0 0 32 1,-0.3 3,-2.1 -2,-0.2 4,-0.6 0.739 115.2 79.5 -53.3 -29.3 70.9 25.3 -53.2 180 202 A T H 3> S+ 0 0 6 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.600 77.9 71.5 -59.3 -11.8 70.9 21.4 -52.7 181 203 A V H <> S+ 0 0 1 -3,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.859 98.4 48.7 -68.0 -35.3 67.7 22.0 -50.6 182 204 A D H <> S+ 0 0 0 -3,-2.1 4,-1.9 -4,-0.2 -2,-0.2 0.642 104.2 59.1 -79.0 -20.0 65.9 22.7 -53.9 183 205 A Y H X S+ 0 0 4 -4,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.929 105.2 49.5 -71.5 -45.9 67.4 19.5 -55.5 184 206 A W H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.916 113.7 45.6 -54.3 -52.7 65.7 17.4 -52.8 185 207 A S H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.894 113.8 48.3 -59.7 -48.3 62.3 19.1 -53.4 186 208 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.894 114.3 47.6 -61.5 -43.0 62.6 18.9 -57.3 187 209 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 71,-0.2 -2,-0.2 0.891 113.5 45.2 -64.6 -46.6 63.6 15.2 -57.0 188 210 A T H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.942 117.0 47.1 -62.5 -47.2 60.7 14.3 -54.5 189 211 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.918 112.6 48.6 -55.2 -54.7 58.3 16.3 -56.8 190 212 A A H X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.903 111.4 50.0 -56.0 -48.5 59.6 14.6 -60.0 191 213 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.5 0.926 108.5 53.2 -57.4 -47.3 59.3 11.1 -58.5 192 214 A E H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.813 109.0 49.7 -60.0 -34.1 55.7 11.9 -57.4 193 215 A C H < S+ 0 0 0 -4,-1.6 -89,-3.0 2,-0.2 -1,-0.3 0.774 114.0 44.9 -77.5 -26.2 54.9 12.9 -61.0 194 216 A I H < S+ 0 0 1 -4,-1.6 48,-0.5 -3,-0.5 -2,-0.2 0.915 130.9 19.9 -78.6 -46.3 56.4 9.7 -62.4 195 217 A T H < S- 0 0 3 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.662 97.9-117.0-100.9 -26.0 54.8 7.3 -59.8 196 218 A G S < S+ 0 0 26 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.252 89.3 62.9 101.2 -9.1 51.8 9.1 -58.3 197 219 A F S S- 0 0 42 -6,-0.3 -2,-0.3 -95,-0.1 -1,-0.2 -0.938 90.7 -88.1-143.4 163.6 53.3 9.1 -54.7 198 220 A R - 0 0 34 -2,-0.3 3,-0.1 -3,-0.1 -9,-0.1 -0.290 32.9-124.9 -76.7 152.6 56.3 10.6 -52.9 199 221 A P S S+ 0 0 1 0, 0.0 24,-2.2 0, 0.0 2,-0.6 0.920 89.9 52.6 -67.1 -44.4 59.6 8.6 -52.7 200 222 A F B S-j 223 0D 8 22,-0.2 4,-0.2 1,-0.2 24,-0.2 -0.859 120.3 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