==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUN-05 1ZZD . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 646 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 2 0.3 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 . 1 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 . 39 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 3 3 3 1 3 2 1 4 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 3 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 . 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 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 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 91 A T 0 0 115 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 117.8 40.6 77.2 21.8 2 92 A K + 0 0 129 4,-0.1 2,-0.2 2,-0.1 73,-0.0 0.824 360.0 75.3 19.1 60.0 43.7 75.0 21.2 3 93 A Q S > S- 0 0 106 1,-0.1 4,-2.6 2,-0.0 3,-0.4 -0.592 81.7-129.5 178.2 125.7 43.6 73.9 24.9 4 94 A F H > S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.888 106.4 46.7 -53.1 -53.2 41.2 71.5 26.5 5 95 A S H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.861 112.7 51.0 -59.0 -36.7 40.1 73.6 29.5 6 96 A K H > S+ 0 0 91 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.931 109.8 49.9 -66.7 -39.0 39.6 76.6 27.2 7 97 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.921 111.2 49.6 -62.4 -41.3 37.5 74.4 24.9 8 98 A V H X S+ 0 0 3 -4,-2.7 4,-3.6 -5,-0.2 5,-0.2 0.937 107.8 53.9 -63.4 -44.1 35.5 73.3 27.9 9 99 A E H X S+ 0 0 43 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.943 111.7 46.3 -49.7 -55.9 35.1 77.0 29.0 10 100 A D H X S+ 0 0 47 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.933 115.2 42.7 -54.0 -57.7 33.7 77.8 25.6 11 101 A L H < S+ 0 0 1 -4,-2.7 14,-1.9 1,-0.2 3,-0.3 0.938 118.8 48.0 -60.7 -44.1 31.3 74.9 25.3 12 102 A Y H < S+ 0 0 32 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.881 115.8 41.8 -58.6 -42.2 30.3 75.4 29.0 13 103 A R H < S+ 0 0 144 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.647 85.5 134.6 -87.5 -11.2 29.7 79.2 28.6 14 104 A Y < - 0 0 44 -4,-1.7 9,-2.1 -3,-0.3 2,-0.4 0.067 36.0-163.3 -44.3 138.1 27.9 79.1 25.2 15 105 A V E -A 22 0A 69 7,-0.3 2,-1.0 8,-0.1 3,-0.1 -0.996 26.9-119.6-127.8 130.7 24.8 81.1 24.7 16 106 A N E >>> -A 21 0A 57 5,-2.7 4,-1.8 -2,-0.4 3,-1.4 -0.599 29.0-163.9 -68.5 102.1 22.3 80.6 22.0 17 107 A A T 345S+ 0 0 83 -2,-1.0 3,-0.2 1,-0.3 -1,-0.2 0.892 81.6 61.1 -56.4 -46.2 22.5 84.1 20.3 18 108 A A T 345S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.492 123.3 20.3 -66.0 2.3 19.3 83.8 18.3 19 109 A T T <45S- 0 0 74 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.464 95.2-120.9-147.5 -15.7 17.4 83.5 21.6 20 110 A G T <5 + 0 0 57 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.1 0.599 65.4 134.9 70.8 10.4 19.3 84.8 24.5 21 111 A K E < -A 16 0A 142 -5,-0.7 -5,-2.7 2,-0.0 2,-0.3 -0.783 60.4-122.3 -89.5 130.7 19.3 81.4 26.4 22 112 A P E -A 15 0A 102 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.582 29.5-169.2 -66.6 127.2 22.5 80.2 28.0 23 113 A A - 0 0 35 -9,-2.1 -9,-0.1 -2,-0.3 -8,-0.1 -0.561 2.9-163.3-125.4 67.3 23.0 76.8 26.4 24 114 A P - 0 0 56 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.225 9.3-168.9 -55.9 129.8 25.8 74.9 28.3 25 115 A M S S+ 0 0 36 -14,-1.9 2,-0.4 -17,-0.2 -13,-0.2 0.394 71.2 61.3-104.8 -0.1 27.1 72.0 26.3 26 116 A I S S- 0 0 2 -15,-0.3 94,-0.3 94,-0.2 2,-0.1 -0.965 88.7-115.8-115.8 143.5 29.1 70.6 29.3 27 117 A S > - 0 0 19 92,-3.1 4,-3.4 -2,-0.4 5,-0.1 -0.394 23.1-118.1 -64.0 153.6 27.5 69.4 32.5 28 118 A D H > S+ 0 0 105 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.942 115.0 56.7 -50.2 -53.2 28.3 71.2 35.7 29 119 A D H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 112.5 36.4 -49.2 -60.1 29.7 68.0 37.0 30 120 A V H > S+ 0 0 1 89,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.892 114.2 59.2 -69.6 -36.0 32.3 67.5 34.2 31 121 A Y H X S+ 0 0 20 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.964 107.3 45.8 -49.7 -57.8 32.9 71.3 34.0 32 122 A N H X S+ 0 0 66 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.859 111.2 52.7 -57.1 -40.2 34.0 71.4 37.6 33 123 A I H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.929 108.8 48.4 -61.8 -46.5 36.2 68.4 37.2 34 124 A V H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.923 115.1 47.3 -61.2 -39.6 38.0 69.8 34.2 35 125 A M H >< S+ 0 0 33 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.912 109.1 51.4 -68.0 -47.7 38.5 73.1 36.2 36 126 A E H 3< S+ 0 0 119 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.525 124.9 29.1 -67.2 -6.3 39.7 71.4 39.4 37 127 A N T S+ 0 0 94 -3,-1.2 4,-2.9 1,-0.2 -33,-0.2 0.820 71.3 50.0 -56.1 -36.7 43.1 71.7 34.4 39 129 A D H > S+ 0 0 136 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.964 114.0 40.6 -66.6 -58.5 46.9 71.1 34.4 40 130 A K H > S+ 0 0 96 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.920 120.4 46.8 -52.7 -51.1 47.0 67.3 34.5 41 131 A L H >X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.6 0.939 113.8 47.0 -58.6 -51.8 44.1 67.1 32.0 42 132 A N H 3< S+ 0 0 23 -4,-2.9 3,-0.4 -5,-0.3 -2,-0.2 0.887 115.3 43.7 -60.6 -41.6 45.6 69.7 29.7 43 133 A S H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.508 102.2 67.1 -88.0 -5.8 49.1 68.2 29.5 44 134 A A H << S+ 0 0 27 -4,-1.0 2,-0.3 -3,-0.6 -1,-0.2 0.753 77.5 100.4 -80.3 -26.3 47.9 64.6 29.2 45 135 A I < - 0 0 13 -4,-0.8 2,-0.8 -3,-0.4 3,-0.1 -0.444 60.5-156.8 -66.8 123.9 46.5 65.2 25.7 46 136 A V > - 0 0 52 -2,-0.3 3,-1.7 1,-0.1 -1,-0.1 -0.859 7.6-173.0-100.3 99.2 48.7 64.0 22.9 47 137 A Y G > S+ 0 0 43 -2,-0.8 3,-1.6 1,-0.3 4,-0.4 0.687 77.3 76.6 -69.3 -20.6 47.7 66.1 19.9 48 138 A D G > S+ 0 0 120 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.735 81.7 71.3 -49.0 -28.3 50.0 64.0 17.6 49 139 A R G < S+ 0 0 46 -3,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.487 76.8 78.4 -78.4 -2.1 47.3 61.4 17.8 50 140 A D G X S+ 0 0 14 -3,-1.6 2,-1.4 1,-0.2 3,-1.1 0.894 86.1 59.1 -71.8 -40.8 44.9 63.4 15.6 51 141 A F T < S+ 0 0 164 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.375 83.5 84.0 -86.3 59.2 46.7 62.3 12.4 52 142 A Q T 3 S+ 0 0 87 -2,-1.4 2,-0.3 -3,-0.4 -1,-0.2 0.222 74.4 83.5-130.4 -5.6 46.1 58.6 13.1 53 143 A Y S < S- 0 0 26 -3,-1.1 464,-0.1 1,-0.1 463,-0.1 -0.782 85.0-114.8 -98.2 146.7 42.6 58.8 11.5 54 144 A S > - 0 0 45 462,-0.4 4,-2.4 -2,-0.3 5,-0.3 -0.125 34.1 -97.8 -69.5 174.8 42.2 58.4 7.7 55 145 A Y H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.992 127.6 35.9 -56.0 -60.6 40.9 61.3 5.6 56 146 A F H 4 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.658 116.5 57.1 -72.2 -14.1 37.3 59.9 5.5 57 147 A G H >> S+ 0 0 0 2,-0.2 3,-0.9 3,-0.1 4,-0.8 0.934 110.7 40.1 -76.2 -52.8 37.7 58.6 9.2 58 148 A F H >X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 3,-0.7 0.873 110.8 60.2 -60.5 -40.8 38.6 62.0 10.7 59 149 A K H 3X S+ 0 0 89 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.567 98.1 59.1 -68.7 -9.6 35.9 63.7 8.4 60 150 A T H <> S+ 0 0 19 -3,-0.9 4,-1.5 2,-0.2 5,-0.4 0.756 107.0 47.0 -83.0 -31.4 33.2 61.5 10.0 61 151 A L H S+ 0 0 10 -4,-0.8 4,-3.4 -3,-0.7 5,-2.1 0.949 117.2 42.2 -67.1 -51.6 34.1 63.0 13.4 62 152 A E H <5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.975 112.7 52.5 -63.4 -57.3 34.1 66.5 12.0 63 153 A R H <5S- 0 0 193 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 137.7 -9.3 -42.5 -46.7 30.9 66.0 9.9 64 154 A S H <5S+ 0 0 56 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.583 124.8 49.8-141.4 -8.3 29.0 64.7 13.0 65 155 A Y T <5S+ 0 0 12 -4,-3.4 2,-0.2 -5,-0.4 -3,-0.2 0.835 80.3 86.1-108.3 -42.9 30.7 63.9 16.3 66 156 A L S > - 0 0 78 -2,-0.4 4,-1.9 1,-0.1 3,-0.8 -0.628 42.6-103.1 -75.7 155.1 39.6 68.8 18.3 77 167 A P H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 122.4 52.8 -46.8 -45.6 39.3 65.0 18.2 78 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.857 105.5 55.2 -63.6 -30.8 41.4 64.5 21.4 79 169 A H H <> S+ 0 0 2 -3,-0.8 4,-3.8 2,-0.2 -1,-0.2 0.954 107.5 50.3 -64.6 -44.8 39.1 67.0 23.2 80 170 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.957 113.1 45.4 -49.7 -58.2 36.2 64.8 22.2 81 171 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.895 114.9 46.6 -54.8 -44.5 38.0 61.7 23.5 82 172 A M H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.929 110.8 53.6 -70.1 -40.0 39.0 63.5 26.7 83 173 A R H X S+ 0 0 2 -4,-3.8 4,-2.8 -5,-0.2 -1,-0.2 0.903 110.7 46.6 -53.8 -44.3 35.5 64.7 27.2 84 174 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.921 108.1 55.7 -70.2 -41.8 34.2 61.2 26.8 85 175 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.919 113.4 41.4 -54.3 -47.2 36.8 59.8 29.3 86 176 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.932 110.8 55.1 -67.9 -48.4 35.6 62.2 31.9 87 177 A G H < S+ 0 0 2 -4,-2.8 32,-0.2 1,-0.2 -2,-0.2 0.884 116.3 40.8 -53.8 -40.5 31.9 61.8 31.1 88 178 A I H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.940 126.2 32.1 -68.3 -48.4 32.4 58.2 31.7 89 179 A H H >< S- 0 0 3 -4,-2.8 3,-2.0 -5,-0.3 -2,-0.2 0.574 76.5-176.9 -98.6 -9.7 34.7 58.4 34.7 90 180 A G T 3< S+ 0 0 4 -4,-3.3 -1,-0.2 1,-0.3 6,-0.1 -0.206 74.9 2.2 52.4-126.5 33.8 61.5 36.7 91 181 A R T 3 S+ 0 0 140 1,-0.2 2,-1.8 2,-0.0 -1,-0.3 0.529 107.3 99.4 -69.4 -5.7 36.1 62.1 39.7 92 182 A D <> + 0 0 71 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.497 46.4 170.8 -84.8 75.4 38.2 59.1 38.8 93 183 A I H > S+ 0 0 20 -2,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.833 73.1 51.8 -59.7 -38.9 41.0 60.9 37.1 94 184 A E H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 112.0 47.8 -62.9 -47.0 43.4 57.9 36.8 95 185 A A H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.876 112.7 48.8 -54.7 -42.7 40.6 55.9 35.2 96 186 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.934 108.6 53.6 -67.7 -41.4 39.8 58.7 32.8 97 187 A L H X S+ 0 0 18 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.824 110.5 47.5 -63.5 -31.7 43.5 59.1 32.0 98 188 A E H X S+ 0 0 79 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.932 111.3 48.5 -74.8 -49.9 43.6 55.4 31.1 99 189 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.883 110.2 54.9 -53.5 -42.4 40.4 55.5 28.9 100 190 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.944 110.2 44.6 -59.3 -49.8 41.8 58.6 27.1 101 191 A N H X S+ 0 0 55 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.928 113.8 47.5 -64.4 -45.6 45.0 57.0 26.2 102 192 A L H <>S+ 0 0 15 -4,-2.3 5,-3.2 2,-0.2 6,-0.6 0.837 115.6 44.6 -69.8 -32.4 43.5 53.7 25.0 103 193 A M H ><5S+ 0 0 10 -4,-2.3 3,-1.9 3,-0.2 -1,-0.2 0.943 114.1 49.3 -74.1 -43.4 40.9 55.3 22.9 104 194 A S H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.828 112.1 49.0 -64.0 -33.3 43.3 57.9 21.4 105 195 A L T 3<5S- 0 0 64 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.392 119.8-119.1 -83.3 -0.5 45.6 55.0 20.7 106 196 A K T < 5 + 0 0 18 -3,-1.9 248,-0.2 2,-0.2 -3,-0.2 0.855 69.5 135.6 68.6 41.4 42.5 53.2 19.1 107 197 A Y S > - 0 0 11 236,-2.1 4,-2.1 -2,-0.3 3,-0.9 -0.161 47.3-101.3 -62.7 159.5 29.0 53.7 20.8 112 202 A S H 3> S+ 0 0 28 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.862 119.6 54.6 -45.6 -50.8 27.9 56.9 19.0 113 203 A P H 3> S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.843 108.8 50.4 -62.6 -31.1 25.5 58.2 21.6 114 204 A T H <> S+ 0 0 2 -3,-0.9 4,-3.0 11,-0.5 -2,-0.2 0.977 110.8 49.0 -64.7 -54.6 28.3 57.9 24.2 115 205 A L H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.860 116.9 43.1 -47.8 -45.6 30.6 59.9 21.8 116 206 A F H < S+ 0 0 81 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.867 128.1 22.8 -65.5 -46.0 27.8 62.6 21.3 117 207 A N H >< S+ 0 0 44 -4,-2.1 3,-1.8 -5,-0.2 2,-0.3 0.554 80.7 117.9-113.5 -13.2 26.6 63.0 24.9 118 208 A A T 3< S+ 0 0 0 -4,-3.0 -31,-0.2 1,-0.3 -30,-0.1 -0.449 90.3 14.4 -63.7 123.9 29.3 61.9 27.3 119 209 A G T 3 S+ 0 0 2 1,-0.4 -92,-3.1 -2,-0.3 -89,-0.3 0.102 103.4 111.0 102.1 -21.0 30.2 65.0 29.4 120 210 A T S < S- 0 0 16 -3,-1.8 -1,-0.4 -94,-0.3 -94,-0.2 -0.385 83.8 -97.2 -91.5 163.4 27.2 67.0 28.4 121 211 A P S S+ 0 0 54 0, 0.0 -92,-0.1 0, 0.0 -96,-0.1 0.776 118.8 32.1 -58.6 -38.3 24.3 68.0 30.7 122 212 A K S S- 0 0 135 2,-0.1 2,-1.4 269,-0.1 269,-0.1 -0.680 84.4-166.6-113.5 78.4 21.8 65.2 29.7 123 213 A P + 0 0 26 0, 0.0 268,-2.5 0, 0.0 2,-1.2 -0.460 12.1 177.9 -76.1 89.2 24.3 62.5 29.0 124 214 A Q + 0 0 2 -2,-1.4 -7,-0.2 266,-0.2 -6,-0.1 -0.795 11.4 162.8 -92.7 96.9 22.3 59.8 27.2 125 215 A M + 0 0 2 -2,-1.2 -11,-0.5 261,-0.2 2,-0.3 0.541 33.8 108.8 -96.0 -7.0 25.1 57.4 26.5 126 216 A S - 0 0 0 265,-0.2 220,-0.2 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0I 65 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.5 -0.824 24.4-121.7-123.9 177.9 51.4 37.4 16.6 367 465 A Y E -P 356 0I 19 -2,-0.3 2,-1.8 -11,-0.2 -11,-0.2 -0.972 18.4-139.7-120.0 117.3 48.2 38.3 18.4 368 466 A N > + 0 0 37 -13,-3.6 4,-1.8 -2,-0.5 3,-0.3 -0.511 28.3 169.8 -79.1 84.9 48.6 39.8 21.8 369 467 A F H > S+ 0 0 35 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.727 75.1 61.2 -66.0 -25.0 45.7 38.0 23.7 370 468 A K H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 106.4 44.3 -65.6 -47.7 47.1 39.4 27.0 371 469 A K H > S+ 0 0 54 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.865 112.5 54.2 -64.7 -36.5 46.6 43.0 25.9 372 470 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.949 109.0 46.1 -58.6 -52.9 43.1 42.0 24.5 373 471 A H H X S+ 0 0 16 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.876 113.9 52.5 -54.0 -40.2 42.0 40.5 27.9 374 472 A E H >X S+ 0 0 91 -4,-1.7 4,-1.4 2,-0.2 3,-0.9 0.969 110.0 43.9 -67.8 -55.4 43.4 43.6 29.5 375 473 A I H 3X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 3,-0.4 0.897 109.1 57.4 -61.1 -39.0 41.6 46.2 27.3 376 474 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.3 0.784 102.9 55.4 -65.5 -25.3 38.3 44.2 27.6 377 475 A K H > S- 0 0 9 1,-0.1 3,-1.7 -52,-0.1 4,-1.4 -0.998 78.3-122.3-142.7 146.1 12.2 57.2 30.9 395 493 A E H 3> S+ 0 0 112 -2,-0.3 4,-2.7 1,-0.3 3,-0.3 0.890 108.4 62.3 -54.3 -47.6 11.8 55.6 34.3 396 494 A E H 3> S+ 0 0 36 1,-0.3 4,-2.0 2,-0.2 -54,-1.7 0.794 103.5 50.6 -43.2 -35.5 11.4 52.1 32.9 397 495 A A H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 -1,-0.3 0.923 108.3 51.2 -76.3 -39.8 14.8 52.3 31.4 398 496 A R H X S+ 0 0 94 -4,-1.4 4,-2.2 -3,-0.3 5,-0.3 0.950 111.0 49.0 -59.8 -51.6 16.3 53.4 34.7 399 497 A K H X S+ 0 0 68 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.936 111.5 48.6 -54.7 -53.9 14.7 50.5 36.6 400 498 A S H X S+ 0 0 2 -4,-2.0 4,-1.9 -58,-0.2 5,-0.4 0.926 114.9 43.6 -51.3 -53.5 15.9 47.9 34.0 401 499 A N H X S+ 0 0 0 -4,-2.6 4,-1.4 -59,-0.3 -1,-0.2 0.874 115.2 46.6 -66.3 -36.7 19.5 49.1 34.0 402 500 A M H < S+ 0 0 57 -4,-2.2 58,-0.4 -5,-0.2 -1,-0.2 0.882 114.7 48.7 -73.4 -34.3 19.9 49.5 37.8 403 501 A R H < 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511 A G > + 0 0 0 107,-1.4 4,-1.9 -2,-0.3 110,-0.1 0.778 60.1 136.1 74.0 29.9 38.2 44.9 12.6 414 512 A L H > S+ 0 0 0 108,-2.0 4,-2.7 106,-0.3 5,-0.2 0.970 78.4 45.1 -61.5 -55.4 37.7 41.2 12.5 415 513 A A H > S+ 0 0 2 109,-0.6 4,-2.5 107,-0.3 5,-0.2 0.911 114.5 50.2 -58.3 -41.0 38.1 41.2 8.7 416 514 A D H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 108.9 51.4 -61.9 -41.2 41.1 43.5 9.1 417 515 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.4 0.984 109.6 48.9 -63.0 -53.9 42.7 41.3 11.7 418 516 A F H <>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 -2,-0.2 0.928 114.9 46.1 -47.5 -53.2 42.4 38.2 9.5 419 517 A M H ><5S+ 0 0 14 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.779 110.1 50.5 -63.0 -35.6 43.9 40.1 6.5 420 518 A L H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.861 113.5 47.1 -73.0 -34.9 46.8 41.7 8.4 421 519 A L T 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.289 117.6-119.1 -87.2 9.6 47.6 38.3 9.7 422 520 A R T < 5 + 0 0 85 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.900 63.5 146.8 56.2 44.4 47.3 36.9 6.2 423 521 A L 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0 0 7 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.918 106.9 56.6 -67.1 -36.9 41.5 33.0 16.0 434 532 A N H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.945 110.1 44.7 -54.2 -50.5 37.7 33.7 16.0 435 533 A I H X S+ 0 0 16 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.951 115.5 45.3 -63.5 -50.1 37.3 31.3 18.9 436 534 A Q H X S+ 0 0 25 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.946 109.7 54.6 -66.1 -41.8 40.2 32.5 20.9 437 535 A I H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.937 114.2 41.3 -54.1 -46.1 39.4 36.2 20.4 438 536 A F H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.819 111.0 56.8 -77.4 -24.3 35.9 35.6 21.8 439 537 A E H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.966 109.4 45.5 -67.1 -46.1 37.0 33.4 24.5 440 538 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.892 111.4 50.8 -69.6 -34.4 39.4 36.0 25.8 441 539 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.920 113.5 45.9 -63.3 -42.7 36.8 38.8 25.6 442 540 A Y H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.945 114.3 47.7 -67.0 -47.9 34.2 36.8 27.5 443 541 A H H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.908 113.6 48.6 -55.9 -44.4 36.6 35.7 30.1 444 542 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.974 112.1 45.7 -64.6 -55.3 37.9 39.2 30.6 445 543 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.801 114.9 49.4 -59.4 -31.3 34.5 40.9 31.0 446 544 A M H X S+ 0 0 8 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.928 112.0 47.1 -74.7 -43.7 33.4 38.2 33.3 447 545 A E H >X S+ 0 0 55 -4,-2.5 4,-2.2 2,-0.2 3,-0.7 0.969 115.5 45.3 -56.1 -55.9 36.6 38.5 35.4 448 546 A A H 3X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.880 111.9 52.8 -57.2 -39.6 36.3 42.4 35.5 449 547 A S H 3X S+ 0 0 0 -4,-1.8 51,-2.3 -5,-0.3 4,-1.3 0.783 107.7 51.7 -69.4 -28.1 32.6 42.1 36.3 450 548 A C H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 3,-0.9 0.980 108.0 50.3 -53.0 -53.7 35.9 42.2 40.7 452 550 A L H 3X>S+ 0 0 21 -4,-2.1 4,-3.5 1,-0.3 5,-0.5 0.837 105.2 56.2 -51.3 -41.1 33.1 44.9 40.6 453 551 A A H 3X5S+ 0 0 4 -4,-1.3 4,-1.6 3,-0.2 -1,-0.3 0.868 104.9 53.4 -64.1 -32.6 30.8 42.5 42.4 454 552 A Q H <<5S+ 0 0 104 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