==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-10 3AHQ . COMPND 2 MOLECULE: ERO1-LIKE PROTEIN ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.INABA,R.SITIA,M.SUZUKI . 356 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 49.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 0 0 1 1 1 0 1 0 0 0 1 0 1 0 1 2 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL 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 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 34 A R 0 0 257 0, 0.0 2,-0.2 0, 0.0 249,-0.2 0.000 360.0 360.0 360.0 85.7 22.3 66.8 33.1 2 35 A a E -a 250 0A 1 247,-2.0 249,-1.9 13,-0.1 2,-0.4 -0.486 360.0-161.8 -80.5 151.6 24.8 64.2 31.7 3 36 A F E -aB 251 14A 94 11,-2.5 11,-3.1 247,-0.2 2,-0.5 -0.972 7.8-170.2-146.5 117.6 27.9 65.1 29.9 4 37 A b E -aB 252 13A 0 247,-3.5 249,-2.8 -2,-0.4 2,-0.6 -0.932 6.1-166.2-113.7 133.1 30.2 63.1 27.5 5 38 A Q E + B 0 12A 74 7,-2.7 7,-2.2 -2,-0.5 3,-0.2 -0.984 15.6 166.2-106.6 115.2 33.6 64.1 26.2 6 39 A V + 0 0 2 -2,-0.6 251,-2.3 247,-0.2 252,-0.2 -0.276 26.3 138.4-114.0 42.6 34.7 61.9 23.4 7 40 A S S S- 0 0 11 249,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.928 76.3-108.1 -52.0 -47.8 37.5 64.3 22.3 8 41 A G S S+ 0 0 11 -3,-0.2 131,-0.4 248,-0.1 -1,-0.1 0.159 101.2 77.5 134.8 -5.0 39.8 61.4 21.8 9 42 A Y S S- 0 0 190 129,-0.1 2,-0.2 130,-0.1 130,-0.2 0.865 113.0 -7.6 -95.4 -85.8 41.9 62.0 24.8 10 43 A L S S- 0 0 130 129,-0.1 -5,-0.1 2,-0.1 -1,-0.1 -0.412 81.2-160.5-116.6 59.1 40.4 61.0 28.1 11 44 A D + 0 0 0 -2,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -0.013 28.3 136.5 -51.2 136.0 37.0 60.0 26.9 12 45 A D E -B 5 0A 68 -7,-2.2 -7,-2.7 188,-0.0 2,-0.4 -0.993 44.4-124.7-175.4 155.9 34.4 60.0 29.6 13 46 A b E -B 4 0A 22 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.3 -0.982 6.0-156.7-124.0 134.3 30.9 60.8 30.8 14 47 A T E +B 3 0A 102 -11,-3.1 -11,-2.5 -2,-0.4 2,-0.3 -0.959 41.5 140.3 -99.2 110.0 29.9 62.8 33.9 15 48 A a - 0 0 23 -2,-0.7 -13,-0.1 -13,-0.3 -2,-0.1 -0.905 58.8-109.6-158.0 119.4 26.4 61.5 34.5 16 49 A D >> - 0 0 93 -2,-0.3 4,-1.5 1,-0.1 3,-1.0 -0.323 25.4-137.5 -53.7 122.5 24.9 60.8 37.9 17 50 A V H 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.828 100.4 56.7 -53.6 -36.3 24.5 57.0 38.1 18 51 A E H 3> S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.749 103.1 53.9 -70.6 -25.9 21.0 57.3 39.7 19 52 A T H <> S+ 0 0 29 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.933 112.2 43.5 -71.6 -48.6 19.6 59.4 36.7 20 53 A I H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.931 114.2 52.4 -57.0 -46.8 20.7 56.7 34.3 21 54 A D H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.919 112.6 43.3 -60.8 -46.4 19.4 54.1 36.6 22 55 A R H X>S+ 0 0 134 -4,-2.3 4,-1.5 2,-0.2 5,-1.1 0.919 115.7 47.8 -65.6 -46.5 15.9 55.7 36.9 23 56 A F H X>S+ 0 0 14 -4,-2.8 5,-2.7 3,-0.2 4,-1.0 0.973 120.5 37.0 -57.6 -50.4 15.6 56.5 33.2 24 57 A N H <>S+ 0 0 0 -4,-2.8 5,-1.4 -5,-0.2 -2,-0.2 0.867 119.9 42.3 -73.0 -42.8 16.7 52.9 32.2 25 58 A N H <5S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.789 130.6 19.4 -83.4 -23.7 15.1 50.8 34.8 26 59 A Y H <5S+ 0 0 144 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.792 131.4 31.0-115.3 -42.5 11.7 52.5 34.9 27 60 A R T < S+ 0 0 54 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.877 120.3 46.4 -64.6 -29.4 9.6 47.3 30.1 31 64 A R H > S+ 0 0 71 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.906 110.8 50.7 -76.5 -41.8 8.8 49.0 26.8 32 65 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.886 108.8 54.4 -57.3 -37.7 12.1 48.2 25.2 33 66 A Q H X S+ 0 0 95 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.921 106.2 51.6 -62.0 -42.8 11.5 44.6 26.3 34 67 A K H >X S+ 0 0 134 -4,-1.7 4,-0.8 1,-0.2 3,-0.8 0.935 108.9 50.7 -57.3 -52.5 8.1 44.5 24.5 35 68 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 6,-0.4 0.896 107.9 51.7 -54.1 -43.3 9.8 45.8 21.3 36 69 A L H 3< S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.707 105.7 57.5 -70.9 -18.4 12.5 43.1 21.5 37 70 A E H << S+ 0 0 94 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.666 87.2 98.5 -83.5 -16.1 9.8 40.4 21.8 38 71 A S S XX S- 0 0 19 -3,-1.0 4,-1.6 -4,-0.8 3,-1.0 -0.282 87.7-108.3 -70.4 158.6 8.1 41.5 18.6 39 72 A D H 3> S+ 0 0 54 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.904 115.6 58.1 -59.1 -48.4 8.8 39.5 15.3 40 73 A Y H 34 S+ 0 0 8 1,-0.2 -1,-0.3 183,-0.2 3,-0.1 0.872 119.4 31.3 -45.8 -35.8 10.8 42.2 13.6 41 74 A F H <4 S+ 0 0 0 -3,-1.0 -1,-0.2 -6,-0.4 -2,-0.2 0.600 106.4 65.7-105.3 -15.7 13.3 42.1 16.6 42 75 A R H < S+ 0 0 59 -4,-1.6 59,-3.6 -3,-0.4 60,-0.5 0.639 93.8 64.1 -89.2 -14.1 13.3 38.5 17.9 43 76 A Y E < -C 100 0B 14 -4,-0.9 2,-0.5 57,-0.2 57,-0.2 -0.932 64.2-171.5-112.0 130.7 14.8 36.9 14.8 44 77 A Y E -C 99 0B 4 55,-2.5 55,-2.4 -2,-0.5 2,-0.6 -0.985 23.1-130.8-128.2 127.9 18.3 37.7 13.7 45 78 A K E +C 98 0B 68 -2,-0.5 2,-0.3 53,-0.3 53,-0.3 -0.653 45.8 162.3 -77.2 118.6 19.9 36.6 10.5 46 79 A V E -C 97 0B 6 51,-2.8 51,-2.1 -2,-0.6 2,-0.8 -0.998 42.4-137.7-149.3 145.2 23.3 35.2 11.4 47 80 A N + 0 0 34 -2,-0.3 3,-0.3 49,-0.3 49,-0.2 -0.844 27.2 164.8-101.7 100.3 26.1 33.0 10.2 48 81 A L + 0 0 12 -2,-0.8 -1,-0.1 47,-0.4 48,-0.1 0.177 63.2 66.9 -92.7 13.7 27.3 30.7 13.0 49 82 A K + 0 0 116 46,-0.1 -1,-0.2 2,-0.1 47,-0.0 0.439 59.3 125.4-126.7 6.4 29.3 28.2 10.9 50 83 A R - 0 0 96 -3,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.339 62.7-113.8 -59.0 140.0 32.3 30.0 9.4 51 84 A P - 0 0 112 0, 0.0 233,-0.1 0, 0.0 234,-0.1 -0.456 41.2 -91.0 -67.9 152.8 35.7 28.4 10.1 52 85 A c - 0 0 35 1,-0.1 3,-0.2 -2,-0.1 233,-0.1 -0.530 36.1-159.0 -62.5 116.1 38.1 30.4 12.3 53 86 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.518 81.6 52.4 -78.3 2.4 40.1 32.4 9.9 54 87 A F S S- 0 0 102 1,-0.3 2,-0.2 227,-0.2 228,-0.0 0.763 119.4 -19.5-113.9 -31.9 43.0 33.0 12.3 55 88 A W 0 0 82 -3,-0.2 -1,-0.3 0, 0.0 -3,-0.1 -0.821 360.0 360.0-157.8-168.2 44.1 29.7 13.7 56 89 A N 0 0 206 -2,-0.2 229,-0.0 -3,-0.1 0, 0.0 -0.879 360.0 360.0-117.1 360.0 42.7 26.1 14.0 57 ! 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 58 132 A E 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.7 30.9 18.2 26.8 59 133 A Q > + 0 0 118 2,-0.1 4,-1.5 3,-0.1 5,-0.0 0.309 360.0 61.2-129.6 -21.3 27.7 19.5 28.5 60 134 A A H > S+ 0 0 50 2,-0.3 4,-1.7 1,-0.2 51,-0.1 0.563 93.5 67.7 -75.3 -14.8 28.9 23.0 28.1 61 135 A E H > S+ 0 0 148 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.897 107.6 35.6 -60.9 -44.9 28.6 21.6 24.5 62 136 A R H 4 S+ 0 0 116 2,-0.2 -2,-0.3 1,-0.2 -1,-0.2 0.767 114.4 56.2 -78.2 -28.2 24.9 21.7 25.5 63 137 A L H < S+ 0 0 19 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.2 0.822 116.4 38.8 -68.0 -27.8 25.2 24.9 27.5 64 138 A G H < S+ 0 0 4 -4,-1.7 226,-1.7 45,-0.1 -2,-0.2 0.606 87.1 117.2 -99.8 -10.9 26.6 26.5 24.4 65 139 A A < - 0 0 30 -4,-0.8 2,-0.2 224,-0.2 223,-0.0 -0.316 61.4-129.5 -65.1 133.5 24.5 25.0 21.7 66 140 A V - 0 0 20 -18,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.566 14.8-130.5 -78.6 143.2 22.3 27.4 19.7 67 141 A D - 0 0 50 -2,-0.2 33,-0.4 33,-0.2 36,-0.1 -0.899 23.2-173.3 -97.7 115.5 18.6 26.4 19.3 68 142 A E + 0 0 106 -2,-0.7 -1,-0.1 31,-0.1 36,-0.0 0.491 29.9 138.7 -94.5 -7.4 17.9 26.6 15.6 69 143 A S + 0 0 73 34,-0.1 2,-0.4 31,-0.1 31,-0.3 -0.022 22.1 174.3 -42.8 128.6 14.1 26.0 15.7 70 144 A L - 0 0 44 29,-0.1 -2,-0.0 4,-0.0 -1,-0.0 -0.981 30.3-123.1-135.2 130.0 12.0 28.1 13.4 71 145 A S > - 0 0 52 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.241 28.4-109.9 -62.5 159.7 8.2 27.5 13.1 72 146 A E H > S+ 0 0 148 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.910 120.4 54.1 -60.7 -41.3 6.9 26.8 9.6 73 147 A E H > S+ 0 0 139 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.929 110.8 45.1 -56.8 -50.8 5.1 30.2 9.6 74 148 A T H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.934 109.6 55.5 -60.1 -47.9 8.4 32.0 10.5 75 149 A Q H X S+ 0 0 105 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.940 114.3 40.6 -51.5 -49.9 10.2 30.0 7.8 76 150 A K H >X S+ 0 0 157 -4,-3.1 4,-1.5 1,-0.2 3,-1.1 0.925 111.8 58.1 -61.5 -46.3 7.7 31.2 5.3 77 151 A A H 3X S+ 0 0 15 -4,-3.5 4,-1.9 1,-0.3 -2,-0.2 0.858 99.0 57.1 -55.0 -39.7 7.8 34.7 6.9 78 152 A V H 3X S+ 0 0 21 -4,-3.0 4,-2.1 1,-0.2 -1,-0.3 0.804 102.3 56.6 -67.7 -23.3 11.5 35.2 6.4 79 153 A L H S+ 0 0 31 -4,-2.9 5,-0.5 1,-0.2 -1,-0.2 0.779 105.8 63.2 -71.0 -26.4 14.2 43.8 1.2 86 160 A D H <5S+ 0 0 124 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.815 107.0 39.6 -65.0 -34.4 15.4 42.7 -2.3 87 161 A S H <5S+ 0 0 112 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.541 106.7 74.5 -98.1 -8.8 13.3 45.2 -4.3 88 162 A S T <5S- 0 0 43 -4,-0.7 2,-2.0 -3,-0.1 -3,-0.0 -0.254 108.5 -57.7 -98.1-169.8 13.7 48.3 -2.0 89 163 A D T 5S+ 0 0 60 -2,-0.1 2,-0.5 2,-0.1 -3,-0.1 0.232 91.4 123.5 -62.1 21.1 16.6 50.7 -1.3 90 164 A N < 0 0 45 -2,-2.0 240,-0.0 -5,-0.5 -2,-0.0 -0.729 360.0 360.0 -95.3 125.0 19.0 47.9 -0.3 91 165 A F 0 0 240 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.1 0.618 360.0 360.0 -36.9 360.0 22.4 47.2 -1.9 92 ! 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 93 173 A S 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.5 21.6 28.9 0.3 94 174 A P - 0 0 87 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.148 360.0-111.2 -62.9 169.5 24.1 31.0 2.3 95 175 A E S S+ 0 0 109 -48,-0.1 2,-0.5 2,-0.0 -47,-0.4 0.665 92.9 101.4 -72.4 -15.0 25.4 29.7 5.6 96 176 A A + 0 0 28 -49,-0.2 2,-0.3 -48,-0.1 -49,-0.3 -0.613 50.0 171.2 -80.2 119.7 23.5 32.6 7.2 97 177 A E E -C 46 0B 104 -51,-2.1 -51,-2.8 -2,-0.5 2,-0.3 -0.902 38.0 -99.4-127.9 150.9 20.1 31.7 8.8 98 178 A Y E -C 45 0B 20 -2,-0.3 2,-0.4 -53,-0.3 -53,-0.3 -0.563 38.3-161.1 -69.0 130.8 17.5 33.5 11.0 99 179 A V E -C 44 0B 6 -55,-2.4 -55,-2.5 -2,-0.3 2,-0.9 -0.919 19.3-124.7-113.9 143.6 17.8 32.6 14.7 100 180 A D E > -C 43 0B 6 -33,-0.4 3,-1.2 -2,-0.4 -57,-0.2 -0.794 18.0-164.1 -88.7 106.5 15.1 33.1 17.3 101 181 A L G > S+ 0 0 7 -59,-3.6 3,-1.0 -2,-0.9 -1,-0.2 0.716 84.0 66.5 -63.0 -21.7 16.7 35.2 20.0 102 182 A L G 3 S+ 0 0 75 -60,-0.5 -1,-0.3 1,-0.3 -59,-0.1 0.762 102.1 45.6 -77.5 -24.2 14.0 34.3 22.4 103 183 A L G < S+ 0 0 77 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.349 115.5 51.2 -89.2 2.5 15.0 30.7 22.6 104 184 A N S < S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 -0.526 73.7 176.2-137.0 61.2 18.7 31.8 22.9 105 185 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.436 40.0-104.7 -68.0 153.8 18.9 34.3 25.8 106 186 A E + 0 0 14 -2,-0.1 2,-0.3 188,-0.0 185,-0.0 -0.675 67.3 122.5 -79.8 127.3 22.3 35.4 26.7 107 187 A R - 0 0 64 -2,-0.5 49,-0.3 51,-0.0 53,-0.1 -0.919 63.8 -36.3-164.0-177.5 23.4 33.8 29.9 108 188 A Y + 0 0 35 51,-1.9 45,-0.0 47,-0.4 49,-0.0 -0.381 49.8 166.3 -52.2 126.8 26.0 31.6 31.7 109 189 A T - 0 0 12 2,-0.2 -46,-0.2 -45,-0.0 -1,-0.1 0.207 54.5-109.7-123.9 5.6 27.2 28.9 29.2 110 190 A G + 0 0 14 1,-0.2 2,-0.4 -47,-0.1 -50,-0.1 0.588 64.0 152.8 68.7 10.8 30.3 27.6 31.0 111 191 A Y + 0 0 66 -48,-0.1 2,-0.3 -51,-0.1 -1,-0.2 -0.635 25.0 127.2 -76.6 122.2 32.6 29.2 28.4 112 192 A K >> + 0 0 133 -2,-0.4 4,-0.6 -3,-0.1 3,-0.5 -0.872 24.5 49.6-159.2 175.2 35.9 29.8 30.3 113 193 A G H >> S- 0 0 18 -2,-0.3 4,-2.5 1,-0.2 3,-1.1 -0.079 105.3 -23.3 77.5-163.4 39.6 29.3 30.5 114 194 A P H 3> S+ 0 0 88 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.734 130.7 61.2 -60.1 -30.9 42.2 30.0 27.9 115 195 A D H <> S+ 0 0 116 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.913 111.5 39.0 -64.5 -38.7 39.8 29.7 25.0 116 196 A A H < S+ 0 0 5 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.947 111.5 47.0 -66.0 -42.6 39.4 41.7 20.5 124 204 A Y H >< S+ 0 0 52 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.880 103.8 61.7 -64.2 -35.1 41.3 44.1 22.8 125 205 A E T 3< S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.571 84.9 78.2 -72.2 -5.1 44.3 44.1 20.5 126 206 A E T < + 0 0 33 -3,-1.2 2,-2.0 -4,-0.4 -1,-0.3 0.474 61.0 113.3 -72.2 -4.7 42.2 45.5 17.7 127 207 A N < + 0 0 12 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 -0.484 40.2 135.6 -71.4 85.0 42.5 48.9 19.4 128 208 A d + 0 0 40 -2,-2.0 2,-0.3 9,-0.1 9,-0.2 -0.720 23.6 167.8-144.1 87.0 44.6 50.4 16.6 129 209 A F B -D 136 0C 0 7,-4.2 7,-2.8 -2,-0.3 139,-0.1 -0.748 35.7-119.7-107.2 149.0 43.9 53.9 15.3 130 210 A K 0 0 88 -2,-0.3 5,-0.1 5,-0.2 141,-0.1 -0.617 360.0 360.0 -76.2 141.6 45.7 56.4 13.1 131 211 A P 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.828 360.0 360.0 -99.5 360.0 46.5 59.7 14.9 132 ! 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 0.0 133 239 A G 0 0 106 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 7.8 50.7 54.6 9.5 134 240 A L - 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0 0 5 -3,-1.8 6,-0.1 1,-0.1 -170,-0.1 -0.756 49.7-167.7 -90.8 119.5 34.4 31.4 19.3 287 393 A G S S+ 0 0 54 -2,-0.6 2,-0.9 4,-0.1 -1,-0.1 0.475 70.8 82.4 -89.2 -5.8 33.5 27.7 20.1 288 394 A e S > S- 0 0 8 1,-0.2 4,-1.5 -223,-0.0 5,-0.1 -0.905 72.4-158.6 -96.3 108.2 30.6 28.5 22.4 289 395 A F H > S+ 0 0 66 -2,-0.9 4,-2.6 1,-0.2 -224,-0.2 0.795 86.0 50.0 -69.7 -32.0 27.9 29.1 19.8 290 396 A K H > S+ 0 0 8 -226,-1.7 4,-3.0 2,-0.2 5,-0.3 0.894 111.1 52.7 -67.8 -37.8 25.5 31.2 21.9 291 397 A e H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.882 110.7 47.5 -61.6 -34.4 28.5 33.4 22.8 292 398 A R H X S+ 0 0 16 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.878 110.4 50.7 -77.6 -40.6 29.2 33.7 19.1 293 399 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.975 118.6 38.0 -54.0 -58.0 25.6 34.5 18.3 294 400 A W H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.858 115.8 54.4 -68.7 -31.5 25.6 37.3 21.0 295 401 A G H X S+ 0 0 7 -4,-2.6 4,-1.6 -5,-0.3 5,-0.2 0.907 111.9 43.5 -64.9 -44.5 29.2 38.3 20.2 296 402 A K H X S+ 0 0 15 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.963 116.3 48.5 -62.8 -46.5 28.3 38.8 16.5 297 403 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.929 113.6 43.0 -60.5 -52.5 25.1 40.6 17.4 298 404 A Q H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.808 114.9 49.0 -72.2 -30.9 26.4 43.0 20.0 299 405 A T H X S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.906 111.5 49.7 -77.4 -34.6 29.5 43.9 18.0 300 406 A Q H X S+ 0 0 47 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.952 113.6 46.7 -64.8 -45.0 27.5 44.5 14.9 301 407 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 35,-0.3 -2,-0.2 0.913 112.7 49.5 -58.4 -45.1 25.1 46.8 17.0 302 408 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.928 111.2 50.1 -62.0 -38.8 28.0 48.6 18.6 303 409 A G H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 111.8 47.5 -65.9 -38.2 29.5 49.1 15.1 304 410 A T H X S+ 0 0 6 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.947 106.7 56.9 -65.8 -46.0 26.3 50.5 13.8 305 411 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.914 111.3 43.8 -51.8 -48.3 25.9 52.8 16.8 306 412 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 109.0 56.4 -65.1 -44.8 29.3 54.3 15.9 307 413 A K H >< S+ 0 0 67 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.970 108.6 49.3 -44.1 -60.7 28.5 54.4 12.2 308 414 A I H >< S+ 0 0 1 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.907 107.9 52.8 -47.3 -52.5 25.4 56.5 13.1 309 415 A L H 3< S+ 0 0 12 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.790 109.4 48.5 -58.7 -30.4 27.5 58.8 15.3 310 416 A F T << S+ 0 0 26 -4,-1.9 -1,-0.3 -3,-1.1 3,-0.2 0.381 102.0 69.9 -84.7 1.0 30.0 59.5 12.4 311 417 A S <> + 0 0 2 -3,-2.1 4,-1.7 -4,-0.4 -1,-0.2 -0.219 54.4 123.6-116.7 36.2 27.0 60.2 10.2 312 418 A E H > S+ 0 0 87 -3,-0.5 4,-1.6 -54,-0.3 5,-0.2 0.963 79.1 46.0 -62.8 -49.5 25.8 63.4 11.6 313 419 A K H > S+ 0 0 122 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.860 112.9 48.8 -62.3 -42.6 26.0 65.2 8.3 314 420 A L H 4 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 112.7 47.9 -66.4 -35.1 24.4 62.5 6.3 315 421 A I H >< S+ 0 0 9 -4,-1.7 3,-0.5 -7,-0.2 -1,-0.2 0.748 111.3 49.9 -80.9 -25.8 21.4 62.1 8.6 316 422 A A H 3< S+ 0 0 77 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 109.1 49.5 -78.6 -48.5 20.7 65.9 8.8 317 423 A N T 3< S+ 0 0 138 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.011 88.9 136.9 -77.8 30.3 20.7 66.4 5.0 318 424 A M < - 0 0 20 -3,-0.5 -3,-0.1 1,-0.1 6,-0.1 -0.638 63.6-106.6 -84.1 133.3 18.4 63.5 4.8 319 425 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -101,-0.1 -0.248 23.7-144.4 -48.6 142.7 15.3 63.6 2.6 320 426 A E S S+ 0 0 170 1,-0.1 -100,-0.2 -102,-0.1 4,-0.1 0.786 87.4 7.0 -86.1 -30.2 12.1 64.1 4.6 321 427 A S S S+ 0 0 80 -103,-0.1 -1,-0.1 -102,-0.1 3,-0.1 0.447 107.9 86.2-136.6 -9.1 9.7 62.0 2.5 322 428 A G S S- 0 0 26 1,-0.1 2,-0.4 -103,-0.0 -102,-0.3 -0.095 90.3 -86.8 -78.2-175.8 11.6 60.2 -0.2 323 429 A P - 0 0 43 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.798 55.1-113.9 -82.4 144.5 13.4 56.8 0.1 324 430 A S + 0 0 3 -2,-0.4 -6,-0.1 1,-0.2 -4,-0.0 -0.732 40.6 167.9 -95.3 129.2 16.9 57.6 1.4 325 431 A Y S S+ 0 0 162 -2,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.805 73.4 56.3-101.5 -38.1 20.0 57.0 -0.7 326 432 A E S S+ 0 0 140 1,-0.2 2,-0.3 -12,-0.1 -1,-0.1 0.664 118.0 26.8 -71.4 -15.0 22.8 58.7 1.2 327 433 A F + 0 0 7 -13,-0.1 2,-0.3 -12,-0.1 -1,-0.2 -0.939 68.5 158.8-159.0 129.7 22.2 56.7 4.3 328 434 A H - 0 0 32 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.984 23.8-155.5-154.1 149.8 20.7 53.4 5.2 329 435 A L - 0 0 3 -2,-0.3 -2,-0.0 -114,-0.1 2,-0.0 -0.999 23.4-137.8-131.1 131.2 20.4 50.5 7.7 330 436 A T > - 0 0 44 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.183 30.0-102.6 -73.7 173.1 19.5 47.0 6.7 331 437 A R H >> S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 3,-0.8 0.988 124.3 51.0 -57.8 -61.3 17.2 44.8 8.6 332 438 A Q H 3> S+ 0 0 65 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.829 111.0 50.4 -44.8 -44.6 20.1 42.9 10.1 333 439 A E H 3> S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.869 110.2 47.6 -65.8 -37.9 21.6 46.2 11.2 334 440 A I H X S+ 0 0 35 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.898 105.9 56.9 -55.5 -43.4 18.8 46.7 35.2 350 456 A E H 3X S+ 0 0 23 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.869 98.2 62.2 -64.7 -32.5 20.6 43.6 36.6 351 457 A L H 3X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.893 102.1 50.1 -56.9 -40.5 22.9 45.9 38.5 352 458 A E H < S+ 0 0 99 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.856 112.6 49.9 -67.5 -31.7 18.9 44.8 46.1 357 463 A L H 3< S+ 0 0 90 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.808 102.5 63.6 -72.8 -29.3 20.1 41.2 46.6 358 464 A L T 3< 0 0 70 -4,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.438 360.0 360.0 -75.7 -1.7 23.3 42.4 48.4 359 465 A Q < 0 0 197 -3,-0.7 -2,-0.1 -4,-0.4 -3,-0.1 0.546 360.0 360.0 -90.3 360.0 21.4 44.0 51.4