==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 16-OCT-06 2IS9 . COMPND 2 MOLECULE: DEFECTIVE IN CULLIN NEDDYLATION PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.YANG,J.ZHOU,L.SUN,Z.WEI,J.GAO,W.GONG,R.M.XU,Z.RAO,Y.LIU . 204 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 0 0 3 2 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 66 A A 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.5 3.7 30.5 2.2 2 67 A H - 0 0 186 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.348 360.0-103.1 -72.2 147.3 7.5 30.2 3.0 3 68 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.335 48.0 -93.7 -64.7 153.2 9.3 32.8 5.0 4 69 A P - 0 0 92 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.284 25.8-123.4 -64.7 156.0 11.5 35.2 3.0 5 70 A V S S+ 0 0 118 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 0.969 99.4 43.6 -60.7 -49.5 15.1 34.3 2.6 6 71 A Y S S- 0 0 23 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.749 101.6 -96.6-102.8 143.6 16.1 37.6 4.1 7 72 A P > - 0 0 38 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.148 28.4-122.9 -54.3 146.3 14.5 39.3 7.2 8 73 A K H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.904 113.4 57.5 -55.2 -43.9 11.8 41.8 6.5 9 74 A E H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.846 107.6 47.9 -54.4 -40.2 13.9 44.4 8.5 10 75 A L H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 3,-0.3 0.925 111.0 46.7 -72.5 -49.9 16.8 43.9 6.1 11 76 A T H X S+ 0 0 28 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.875 108.4 60.2 -59.7 -35.0 15.0 44.2 2.8 12 77 A Q H X S+ 0 0 109 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.875 103.3 49.8 -57.4 -41.8 13.3 47.3 4.3 13 78 A V H X S+ 0 0 14 -4,-1.3 4,-1.5 62,-0.3 -2,-0.2 0.946 112.1 47.2 -62.6 -48.1 16.7 48.9 4.7 14 79 A F H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.925 112.8 49.1 -58.0 -45.9 17.7 48.2 1.1 15 80 A E H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.2 59.9 -66.2 -29.5 14.3 49.4 -0.1 16 81 A H H < S+ 0 0 137 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.902 115.2 31.8 -64.1 -42.3 14.7 52.6 1.9 17 82 A Y H < S+ 0 0 24 -4,-1.5 7,-0.2 -3,-0.3 -2,-0.2 0.700 88.4 112.2 -95.0 -22.0 17.9 53.7 0.1 18 83 A I < - 0 0 36 -4,-2.1 2,-0.7 -5,-0.2 5,-0.3 -0.188 60.0-142.2 -51.2 139.0 17.4 52.3 -3.4 19 84 A N B > -A 22 0A 70 3,-3.0 3,-2.2 0, 0.0 2,-0.7 -0.931 62.6 -57.9-109.4 104.3 17.0 55.0 -6.0 20 85 A N T 3 S- 0 0 151 -2,-0.7 -2,-0.1 1,-0.3 3,-0.0 -0.489 124.5 -13.6 60.0-103.0 14.4 53.8 -8.5 21 86 A N T 3 S+ 0 0 112 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.382 127.0 66.8-107.9 1.3 15.9 50.5 -9.7 22 87 A L B < -A 19 0A 73 -3,-2.2 -3,-3.0 39,-0.1 2,-1.4 -0.980 63.9-144.1-133.9 134.3 19.5 51.0 -8.4 23 88 A F B +B 60 0B 2 37,-0.5 37,-2.4 -2,-0.4 -5,-0.1 -0.769 56.2 165.4 -80.0 85.1 21.4 51.1 -5.1 24 89 A D > - 0 0 39 -2,-1.4 4,-2.6 -7,-0.2 5,-0.2 -0.082 53.9 -71.8 -99.8-162.0 23.7 53.7 -6.7 25 90 A I H > S+ 0 0 30 32,-0.4 4,-2.6 1,-0.2 5,-0.1 0.879 132.6 50.7 -64.3 -36.8 26.2 56.2 -5.4 26 91 A D H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 109.8 50.6 -66.5 -37.8 23.5 58.5 -4.0 27 92 A S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 111.5 48.7 -59.5 -48.0 22.0 55.4 -2.2 28 93 A L H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.898 109.5 51.8 -60.0 -45.2 25.4 54.7 -0.8 29 94 A V H X S+ 0 0 31 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.914 113.3 43.6 -61.5 -43.5 26.0 58.2 0.4 30 95 A K H X S+ 0 0 116 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 115.1 49.6 -69.0 -39.8 22.6 58.4 2.2 31 96 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.936 110.5 49.6 -60.9 -51.9 23.2 54.9 3.7 32 97 A I H X>S+ 0 0 1 -4,-3.1 5,-2.4 1,-0.2 4,-0.7 0.891 110.1 51.9 -53.8 -43.1 26.8 55.8 4.9 33 98 A E H ><5S+ 0 0 81 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.907 108.7 49.4 -67.2 -37.4 25.4 59.0 6.5 34 99 A E H 3<5S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 105.0 58.5 -68.9 -29.9 22.7 57.0 8.4 35 100 A L H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.653 127.2-102.2 -70.3 -18.6 25.4 54.6 9.6 36 101 A G T <<5S+ 0 0 62 -3,-0.8 -3,-0.2 -4,-0.7 2,-0.2 0.466 85.2 99.6 112.7 10.2 27.1 57.6 11.2 37 102 A Y < - 0 0 43 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.555 63.0-121.5-122.5 175.8 29.9 58.3 8.6 38 103 A N > - 0 0 76 -2,-0.2 3,-1.8 -3,-0.1 6,-0.3 -0.871 32.7-112.5-116.9 156.3 30.9 60.4 5.6 39 104 A L T 3 S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.3 5,-0.0 0.832 115.6 53.3 -54.4 -37.4 31.9 59.1 2.1 40 105 A E T 3 S+ 0 0 90 4,-0.1 -1,-0.3 3,-0.0 5,-0.0 0.495 84.8 113.6 -79.1 -5.2 35.5 60.2 2.6 41 106 A D S X> S- 0 0 45 -3,-1.8 4,-0.9 1,-0.1 3,-0.6 -0.316 72.5-129.7 -71.0 147.8 36.0 58.3 5.9 42 107 A L H 3> S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.838 110.9 63.8 -61.2 -31.9 38.4 55.3 6.1 43 108 A A H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 94.8 60.0 -59.7 -34.0 35.5 53.4 7.8 44 109 A T H <> S+ 0 0 3 -3,-0.6 4,-2.8 -6,-0.3 -1,-0.2 0.874 100.8 53.9 -61.3 -38.5 33.6 53.8 4.4 45 110 A L H X S+ 0 0 2 -4,-0.9 4,-2.5 -3,-0.4 -1,-0.2 0.902 107.1 51.1 -59.9 -42.4 36.4 51.9 2.7 46 111 A C H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.905 112.0 47.8 -59.9 -43.2 35.9 49.1 5.3 47 112 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 112.2 47.4 -62.0 -51.8 32.1 49.1 4.5 48 113 A A H X>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 4,-0.7 0.899 112.7 50.4 -55.8 -43.3 32.6 49.1 0.7 49 114 A H H ><5S+ 0 0 51 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.903 109.1 51.3 -62.4 -44.9 35.2 46.2 1.1 50 115 A L H 3<5S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.9 46.7 -58.0 -45.1 32.7 44.2 3.3 51 116 A L H 3<5S- 0 0 5 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.509 117.1-114.5 -79.3 -8.7 30.0 44.6 0.6 52 117 A G T <<5 + 0 0 54 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.725 48.9 173.2 86.7 23.8 32.4 43.7 -2.2 53 118 A Y < - 0 0 12 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.406 18.5-177.3 -63.4 136.1 32.5 46.9 -4.1 54 119 A K S S+ 0 0 158 1,-0.4 2,-0.4 -2,-0.1 -1,-0.2 0.742 78.8 23.5 -96.1 -39.3 35.1 47.0 -7.0 55 120 A K S > S- 0 0 35 4,-0.1 3,-1.8 1,-0.1 -1,-0.4 -0.996 77.8-129.9-132.5 136.8 34.4 50.7 -7.9 56 121 A L T 3 S+ 0 0 22 52,-2.5 53,-0.1 -2,-0.4 -1,-0.1 0.804 106.6 40.6 -55.8 -38.8 32.9 53.3 -5.5 57 122 A E T 3 S+ 0 0 140 51,-0.3 -32,-0.4 2,-0.1 -1,-0.3 0.263 86.6 113.9 -99.2 9.9 30.2 54.5 -7.9 58 123 A E S < S- 0 0 91 -3,-1.8 -3,-0.0 -34,-0.1 -5,-0.0 -0.621 77.4-102.5 -75.9 139.0 29.2 51.1 -9.3 59 124 A P - 0 0 67 0, 0.0 2,-0.6 0, 0.0 -35,-0.2 -0.306 29.7-127.0 -59.7 147.6 25.6 50.1 -8.3 60 125 A L B -B 23 0B 10 -37,-2.4 -37,-0.5 -7,-0.1 -8,-0.0 -0.893 23.7-126.9-101.1 115.4 25.3 47.5 -5.5 61 126 A K > - 0 0 147 -2,-0.6 4,-2.1 1,-0.1 3,-0.3 -0.311 15.5-123.7 -60.0 141.3 23.1 44.5 -6.5 62 127 A R H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 111.8 52.4 -49.0 -48.9 20.3 43.8 -4.2 63 128 A E H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.863 108.1 51.0 -62.8 -36.5 21.5 40.2 -3.6 64 129 A D H > S+ 0 0 77 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.908 111.6 47.4 -68.3 -41.2 25.0 41.4 -2.7 65 130 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.962 118.4 41.1 -61.2 -50.9 23.6 43.9 -0.1 66 131 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.933 114.9 47.6 -67.9 -49.3 21.3 41.3 1.4 67 132 A S H X S+ 0 0 38 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.907 112.6 51.2 -60.8 -41.1 23.7 38.3 1.4 68 133 A T H X S+ 0 0 26 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.946 114.4 41.3 -58.8 -53.6 26.5 40.3 2.9 69 134 A W H <>S+ 0 0 0 -4,-2.0 5,-2.9 -5,-0.2 -2,-0.2 0.894 114.3 52.8 -66.0 -39.9 24.5 41.7 5.8 70 135 A F H ><5S+ 0 0 105 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.911 106.8 52.1 -60.8 -43.8 22.8 38.3 6.4 71 136 A M H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.4 51.1 -62.1 -33.2 26.1 36.5 6.6 72 137 A Q T 3<5S- 0 0 99 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.342 117.7-114.9 -82.1 3.3 27.2 39.1 9.2 73 138 A G T < 5S+ 0 0 62 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.770 70.8 138.4 67.3 27.7 24.1 38.5 11.2 74 139 A C < + 0 0 10 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.897 16.7 150.4-109.7 131.6 22.8 42.1 10.6 75 140 A S + 0 0 28 -2,-0.5 -62,-0.3 1,-0.1 2,-0.3 0.527 61.9 52.6-126.4 -18.3 19.3 43.0 9.7 76 141 A T S > S- 0 0 45 1,-0.1 4,-2.3 -64,-0.1 5,-0.2 -0.776 84.4-109.3-120.4 164.3 18.8 46.5 11.1 77 142 A I H > S+ 0 0 31 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.902 120.8 53.1 -54.2 -44.6 20.6 49.9 10.9 78 143 A S H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 108.0 50.2 -59.0 -41.2 21.8 49.5 14.5 79 144 A D H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 111.9 48.2 -60.6 -47.1 23.3 46.0 13.7 80 145 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.882 108.5 54.3 -62.5 -42.9 25.1 47.5 10.6 81 146 A Q H X S+ 0 0 68 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 48.2 -55.9 -45.6 26.4 50.4 12.8 82 147 A E H X S+ 0 0 122 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.897 110.1 53.5 -63.3 -38.7 27.9 47.9 15.3 83 148 A C H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 110.5 44.8 -59.8 -50.0 29.4 45.9 12.4 84 149 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 109.1 56.3 -65.6 -35.6 31.2 49.0 11.0 85 150 A K H X S+ 0 0 148 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.930 108.8 48.8 -58.8 -43.3 32.3 50.0 14.4 86 151 A T H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.888 110.7 49.0 -62.8 -42.6 34.0 46.6 14.7 87 152 A L H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.874 108.3 54.6 -64.4 -38.4 35.6 46.9 11.3 88 153 A D H X S+ 0 0 39 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.904 107.1 50.0 -63.5 -41.5 36.9 50.4 12.3 89 154 A V H X S+ 0 0 69 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.930 110.6 51.1 -59.2 -43.3 38.5 48.9 15.4 90 155 A K H X S+ 0 0 83 -4,-2.0 4,-3.3 1,-0.2 8,-0.3 0.889 104.8 56.0 -63.1 -38.9 40.1 46.2 13.2 91 156 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.4 43.7 -61.0 -34.1 41.5 48.9 10.8 92 157 A H H < S+ 0 0 46 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.794 127.6 26.5 -78.0 -31.5 43.2 50.5 13.8 93 158 A E H < S+ 0 0 156 -4,-1.6 2,-0.6 -5,-0.1 -2,-0.2 0.715 103.1 74.2-107.8 -28.8 44.6 47.2 15.3 94 159 A D X - 0 0 55 -4,-3.3 4,-2.8 -5,-0.2 5,-0.2 -0.836 53.9-165.9-106.6 112.4 45.0 44.5 12.6 95 160 A L H > S+ 0 0 77 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.866 89.9 51.5 -70.3 -35.4 48.1 45.1 10.4 96 161 A Q H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 113.9 43.6 -63.3 -46.8 46.9 42.6 7.8 97 162 A Y H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.914 112.7 52.8 -64.6 -45.0 43.5 44.2 7.5 98 163 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 -8,-0.3 -2,-0.2 0.919 111.0 46.4 -55.6 -46.2 45.0 47.7 7.5 99 164 A T H X S+ 0 0 49 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.926 112.3 51.6 -65.0 -42.4 47.3 46.8 4.6 100 165 A Q H X S+ 0 0 94 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 113.3 43.1 -57.6 -49.0 44.4 45.1 2.8 101 166 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.892 111.3 55.2 -67.2 -40.2 42.2 48.2 3.1 102 167 A Y H X S+ 0 0 0 -4,-2.8 4,-0.7 -5,-0.2 -2,-0.2 0.955 114.1 40.5 -55.1 -52.0 45.1 50.6 2.2 103 168 A N H >X S+ 0 0 31 -4,-2.6 4,-0.8 1,-0.2 3,-0.7 0.904 112.6 55.4 -62.7 -42.6 45.7 48.7 -1.1 104 169 A Y H 3X S+ 0 0 41 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.838 95.2 69.4 -57.5 -37.0 42.0 48.3 -1.7 105 170 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.836 93.9 55.1 -54.5 -40.7 41.4 52.1 -1.5 106 171 A F H - 0 0 81 5,-0.4 3,-1.4 1,-0.1 2,-0.4 -0.349 24.8-103.1 -50.2 135.4 38.1 55.9 -12.6 112 177 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.483 116.1 14.1 -4.4 96.3 36.4 54.2 -15.0 113 178 A N T 3 S+ 0 0 170 -2,-0.4 2,-0.3 1,-0.2 -2,-0.1 0.711 105.8 103.5 80.7 23.7 39.0 54.4 -17.7 114 179 A R < - 0 0 82 -3,-1.4 -1,-0.2 1,-0.1 3,-0.1 -0.969 50.4-161.9-133.9 153.4 42.0 55.5 -15.8 115 180 A K S S+ 0 0 181 -2,-0.3 45,-0.4 -3,-0.1 2,-0.3 0.671 80.3 44.4 -97.6 -27.1 45.1 53.8 -14.6 116 181 A D S S- 0 0 49 43,-0.1 -5,-0.4 44,-0.1 2,-0.2 -0.802 73.5-129.5-118.0 157.4 46.1 56.4 -12.0 117 182 A I E -C 158 0C 3 41,-2.1 41,-2.9 -2,-0.3 2,-0.1 -0.632 38.9 -91.4 -97.5 163.5 44.3 58.5 -9.3 118 183 A D E > -C 157 0C 72 39,-0.2 4,-2.1 -2,-0.2 39,-0.3 -0.471 28.7-126.3 -73.6 146.0 44.5 62.3 -8.9 119 184 A T H > S+ 0 0 9 37,-2.1 4,-2.8 1,-0.2 5,-0.3 0.908 108.9 58.0 -59.5 -42.0 47.2 63.5 -6.6 120 185 A D H > S+ 0 0 135 36,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.909 109.2 44.0 -53.1 -47.7 44.6 65.6 -4.6 121 186 A E H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 111.9 53.3 -69.8 -37.3 42.6 62.5 -3.8 122 187 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.938 110.5 46.6 -57.2 -49.9 45.7 60.4 -3.0 123 188 A I H X S+ 0 0 12 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.900 106.9 58.9 -62.3 -40.8 46.9 63.1 -0.5 124 189 A Q H X S+ 0 0 84 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.928 113.6 37.8 -52.5 -48.4 43.3 63.2 1.0 125 190 A Y H >X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 3,-0.6 0.893 112.8 56.5 -74.1 -38.7 43.5 59.5 1.9 126 191 A W H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.875 101.2 58.3 -58.3 -38.8 47.2 59.5 2.8 127 192 A K H 3< S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.7 39.8 -62.9 -29.9 46.4 62.2 5.4 128 193 A L H X< S+ 0 0 49 -4,-0.7 3,-1.5 -3,-0.6 -2,-0.2 0.934 114.3 49.9 -81.1 -51.0 44.0 59.8 7.0 129 194 A F H 3< S+ 0 0 0 -4,-2.9 7,-0.3 1,-0.3 -2,-0.2 0.826 109.4 50.8 -58.5 -38.0 45.9 56.5 6.7 130 195 A F T 3< S+ 0 0 11 -4,-2.2 -1,-0.3 -5,-0.2 8,-0.2 0.101 77.8 124.8 -98.7 24.1 49.2 57.8 8.2 131 196 A Q S X S- 0 0 65 -3,-1.5 3,-1.9 1,-0.1 5,-0.2 -0.473 76.4-108.5 -70.1 151.2 47.7 59.4 11.4 132 197 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.743 113.3 70.6 -54.7 -26.3 49.3 58.1 14.6 133 198 A E T 3 S+ 0 0 105 2,-0.0 4,-0.1 4,-0.0 -3,-0.1 0.632 89.8 77.3 -71.7 -11.1 46.2 56.0 15.5 134 199 A Y S < S- 0 0 20 -3,-1.9 -42,-0.1 2,-0.2 -41,-0.1 -0.516 96.5-101.3 -99.3 163.2 46.9 53.6 12.7 135 200 A P S S+ 0 0 34 0, 0.0 2,-0.8 0, 0.0 -5,-0.1 0.653 97.5 81.5 -60.5 -20.7 49.6 50.8 12.6 136 201 A V - 0 0 6 -7,-0.3 2,-0.5 -5,-0.2 -2,-0.2 -0.794 67.8-157.0 -96.0 112.4 52.2 52.5 10.5 137 202 A R + 0 0 212 -2,-0.8 2,-0.3 34,-0.1 -6,-0.1 -0.717 27.0 146.9 -91.1 125.7 54.3 54.9 12.7 138 203 A M - 0 0 34 -2,-0.5 37,-0.2 -8,-0.2 33,-0.1 -0.978 50.1 -91.5-151.6 162.2 56.2 57.7 11.0 139 204 A E >> - 0 0 58 35,-2.8 4,-1.5 -2,-0.3 3,-0.8 -0.572 27.8-136.2 -78.6 133.1 57.3 61.3 11.6 140 205 A P H 3> S+ 0 0 105 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 103.4 62.4 -55.1 -36.3 54.8 64.0 10.5 141 206 A D H 3> S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.846 103.5 50.0 -57.6 -38.2 57.6 66.1 8.9 142 207 A L H <> S+ 0 0 0 -3,-0.8 4,-2.0 32,-0.2 -1,-0.2 0.915 110.4 47.4 -67.6 -46.8 58.3 63.2 6.5 143 208 A L H X S+ 0 0 19 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.922 113.5 49.8 -60.4 -42.6 54.6 62.8 5.4 144 209 A E H X S+ 0 0 106 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.891 108.4 51.6 -62.3 -43.3 54.5 66.6 4.9 145 210 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.845 107.0 55.1 -63.9 -35.8 57.7 66.6 2.8 146 211 A W H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.953 110.1 44.9 -60.8 -50.4 56.1 63.9 0.6 147 212 A F H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 114.5 49.3 -58.4 -45.6 53.0 66.0 -0.1 148 213 A R H X S+ 0 0 72 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.912 109.2 52.4 -62.3 -43.0 55.3 69.1 -0.7 149 214 A F H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 6,-0.3 0.931 109.5 49.0 -54.8 -49.7 57.5 67.1 -3.1 150 215 A L H <>S+ 0 0 2 -4,-2.3 5,-3.0 1,-0.2 -2,-0.2 0.896 117.2 41.4 -60.5 -42.7 54.4 65.9 -5.1 151 216 A R H ><5S+ 0 0 150 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.941 116.3 47.9 -67.8 -49.1 53.1 69.5 -5.3 152 217 A D H 3<5S+ 0 0 108 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.781 113.8 46.0 -66.2 -33.3 56.5 71.1 -6.0 153 218 A E T 3<5S- 0 0 102 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.217 115.1-112.5 -98.7 13.9 57.6 68.7 -8.7 154 219 A G T < 5 + 0 0 51 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.812 53.0 167.1 61.9 34.8 54.2 68.9 -10.5 155 220 A K < + 0 0 55 -5,-3.0 -1,-0.2 -6,-0.3 -2,-0.1 -0.715 1.4 166.3 -82.3 97.9 53.2 65.3 -9.7 156 221 A T + 0 0 104 -2,-1.2 -37,-2.1 -3,-0.1 2,-0.3 0.555 56.5 34.3 -98.1 -17.4 49.5 65.5 -10.6 157 222 A T E -C 118 0C 56 -39,-0.3 2,-0.4 -38,-0.1 -39,-0.2 -0.949 68.3-144.3-130.1 160.4 48.5 61.8 -10.8 158 223 A I E -C 117 0C 4 -41,-2.9 -41,-2.1 -2,-0.3 2,-0.1 -0.990 12.5-140.6-129.7 132.6 49.6 58.8 -8.8 159 224 A S > - 0 0 34 -2,-0.4 4,-2.5 -43,-0.2 -43,-0.1 -0.383 26.8-110.4 -84.8 165.4 50.0 55.2 -10.0 160 225 A K H > S+ 0 0 124 -45,-0.4 4,-2.7 1,-0.2 5,-0.3 0.887 119.5 54.1 -58.2 -41.2 49.2 51.9 -8.3 161 226 A D H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 109.5 46.0 -59.1 -50.1 52.9 51.2 -8.0 162 227 A T H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.947 115.0 49.5 -57.9 -47.1 53.6 54.5 -6.2 163 228 A W H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.956 115.8 39.1 -56.1 -55.3 50.5 53.9 -3.9 164 229 A R H X S+ 0 0 119 -4,-2.7 4,-0.8 1,-0.2 3,-0.4 0.894 117.3 48.9 -67.0 -41.7 51.3 50.4 -2.9 165 230 A M H X S+ 0 0 49 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.777 97.6 68.0 -72.1 -29.4 55.1 50.9 -2.5 166 231 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.862 95.9 57.0 -60.4 -35.8 54.8 54.1 -0.4 167 232 A L H X S+ 0 0 14 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.933 110.2 43.2 -60.9 -45.3 53.4 52.1 2.5 168 233 A L H X S+ 0 0 95 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.910 113.2 53.6 -63.5 -43.4 56.5 49.8 2.5 169 234 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.933 110.0 44.9 -59.8 -48.4 58.8 52.9 2.1 170 235 A F H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.874 113.8 50.8 -67.6 -36.4 57.4 54.7 5.1 171 236 A K H < S+ 0 0 125 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.941 115.8 42.1 -62.3 -46.5 57.4 51.5 7.2 172 237 A R H < S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.873 130.6 24.2 -68.2 -41.7 61.1 50.9 6.3 173 238 A Y < + 0 0 16 -4,-2.9 -1,-0.3 -5,-0.2 6,-0.1 -0.768 67.8 170.6-128.0 82.8 62.2 54.6 6.6 174 239 A P + 0 0 36 0, 0.0 -35,-2.8 0, 0.0 2,-0.3 0.482 62.9 50.6 -78.2 -0.7 59.9 56.4 9.0 175 240 A T S > S- 0 0 36 -37,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.966 79.1-123.8-135.3 151.3 62.0 59.6 9.3 176 241 A I H > S+ 0 0 27 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 113.7 53.8 -54.7 -46.1 63.7 62.0 6.9 177 242 A Q H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 106.2 51.0 -59.9 -40.1 67.1 61.3 8.6 178 243 A K H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.879 112.0 47.4 -65.8 -37.7 66.8 57.5 8.1 179 244 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 3,-0.2 -2,-0.2 0.956 113.9 48.2 -63.0 -53.3 66.0 58.0 4.4 180 245 A I H < S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.933 120.7 36.3 -49.0 -52.3 68.9 60.4 4.1 181 246 A S H < S+ 0 0 77 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.902 132.1 19.9 -74.2 -43.3 71.3 58.1 5.9 182 247 A D H < S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.615 82.7 113.7-112.5 -21.1 70.2 54.7 4.7 183 248 A Y < - 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