==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-08 2ZLF . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,J.W.FAIRMAN,S.R.WIJERATHNA,J.LAMACCHIA,N.R.KREISCHER, . 670 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.1 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 4 2 3 0 4 1 2 3 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 . 2 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 76 A T 0 0 154 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 162.1 45.0 60.1 0.5 2 77 A L > + 0 0 129 1,-0.2 4,-1.2 2,-0.1 0, 0.0 0.422 360.0 87.8 -98.9 -3.3 46.4 63.5 1.6 3 78 A A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.762 80.7 64.7 -67.3 -24.8 43.0 65.2 1.7 4 79 A A H > S+ 0 0 10 -3,-0.3 4,-2.9 2,-0.2 3,-0.3 0.991 101.6 44.1 -59.5 -63.3 42.7 64.0 5.3 5 80 A R H > S+ 0 0 149 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.807 112.0 57.2 -55.5 -31.1 45.6 66.0 6.7 6 81 A I H X S+ 0 0 99 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.956 112.1 38.8 -61.2 -52.6 44.3 69.0 4.7 7 82 A A H X S+ 0 0 14 -4,-2.2 4,-1.2 -3,-0.3 -2,-0.2 0.878 118.7 48.9 -66.4 -40.6 40.8 68.9 6.3 8 83 A I H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 3,-0.3 0.927 111.5 47.4 -67.0 -48.7 42.2 68.1 9.7 9 84 A S H X S+ 0 0 42 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.871 111.9 53.1 -58.8 -38.0 44.8 70.8 9.7 10 85 A N H < S+ 0 0 70 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.759 105.9 51.9 -72.1 -24.2 42.1 73.1 8.5 11 86 A L H >< S+ 0 0 9 -4,-1.2 3,-1.3 -3,-0.3 4,-0.3 0.895 107.4 53.9 -71.9 -41.7 39.9 72.1 11.4 12 87 A H H >< S+ 0 0 37 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.877 105.2 54.0 -55.2 -41.2 42.8 72.9 13.7 13 88 A K T 3< S+ 0 0 160 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.587 112.1 44.4 -72.6 -11.9 43.0 76.4 12.2 14 89 A Q T < S+ 0 0 121 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.2 0.279 107.8 67.8-115.2 10.6 39.3 77.0 12.9 15 90 A T S < S- 0 0 15 -3,-1.1 74,-0.1 -4,-0.3 75,-0.1 -0.988 81.8-111.8-135.1 139.3 39.3 75.7 16.5 16 91 A T - 0 0 69 -2,-0.4 75,-0.1 73,-0.2 -2,-0.1 -0.349 22.6-147.8 -57.6 145.2 40.8 76.7 19.8 17 92 A K S S+ 0 0 130 1,-0.0 2,-0.7 -2,-0.0 -1,-0.1 0.759 70.7 89.6 -92.6 -28.9 43.5 74.3 21.1 18 93 A Q >> - 0 0 99 1,-0.2 4,-1.7 2,-0.1 3,-0.9 -0.624 63.3-155.3 -79.1 114.4 43.0 74.5 24.9 19 94 A F H 3> S+ 0 0 2 -2,-0.7 4,-2.9 1,-0.3 3,-0.5 0.903 91.3 56.3 -52.4 -52.1 40.5 71.9 25.9 20 95 A S H 3> S+ 0 0 5 1,-0.3 4,-1.8 33,-0.2 -1,-0.3 0.810 109.0 49.4 -53.0 -32.0 39.4 73.7 29.1 21 96 A K H <> S+ 0 0 93 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.810 108.1 50.4 -80.9 -32.2 38.6 76.8 27.0 22 97 A V H X S+ 0 0 4 -4,-1.7 4,-2.8 -3,-0.5 5,-0.2 0.903 111.6 50.3 -70.7 -36.2 36.5 74.8 24.4 23 98 A V H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.925 109.0 52.7 -59.9 -45.0 34.7 73.4 27.4 24 99 A E H X S+ 0 0 38 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.937 112.7 43.3 -53.7 -52.3 34.2 76.9 28.7 25 100 A D H X S+ 0 0 66 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.937 114.6 48.9 -62.9 -48.1 32.7 78.0 25.4 26 101 A L H < S+ 0 0 1 -4,-2.8 14,-2.0 1,-0.2 15,-0.3 0.900 116.3 44.0 -57.6 -41.5 30.5 75.0 25.0 27 102 A Y H < S+ 0 0 39 -4,-2.8 -1,-0.2 12,-0.2 -2,-0.2 0.812 116.1 45.5 -75.5 -32.1 29.3 75.4 28.5 28 103 A R H < S+ 0 0 140 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.566 85.5 136.7 -87.7 -8.5 28.8 79.1 28.3 29 104 A Y < - 0 0 35 -4,-1.3 9,-2.0 -3,-0.2 2,-0.4 -0.003 34.3-166.6 -48.4 142.5 27.1 78.8 24.9 30 105 A V E -A 37 0A 65 7,-0.3 2,-1.1 8,-0.1 3,-0.1 -0.997 28.0-115.9-135.0 132.4 23.9 80.9 24.3 31 106 A N E >>> -A 36 0A 50 5,-3.8 4,-2.6 -2,-0.4 3,-1.3 -0.561 26.3-162.4 -71.3 101.9 21.4 80.6 21.5 32 107 A A T 345S+ 0 0 75 -2,-1.1 -1,-0.2 1,-0.3 3,-0.1 0.900 86.2 53.7 -55.7 -44.9 21.8 83.9 19.8 33 108 A A T 345S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.765 124.5 25.0 -57.9 -27.3 18.4 83.7 17.9 34 109 A T T <45S- 0 0 72 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.567 94.2-126.7-119.1 -12.1 16.6 83.1 21.2 35 110 A G T <5 + 0 0 56 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.537 63.1 141.7 70.8 6.5 18.7 84.7 24.0 36 111 A K E < -A 31 0A 137 -5,-0.7 -5,-3.8 -6,-0.0 2,-0.5 -0.665 57.4-126.6 -83.1 130.9 18.5 81.3 25.7 37 112 A P E -A 30 0A 100 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.693 32.3-175.0 -76.2 124.2 21.6 80.1 27.5 38 113 A A - 0 0 35 -9,-2.0 -9,-0.1 -2,-0.5 -8,-0.1 -0.654 6.0-161.4-134.0 69.8 22.1 76.7 26.0 39 114 A P - 0 0 61 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.202 13.4-167.1 -62.9 139.3 24.9 74.8 27.7 40 115 A M S S+ 0 0 44 -14,-2.0 2,-0.4 -17,-0.2 -13,-0.2 0.293 72.0 63.1-107.8 7.5 26.4 71.8 25.9 41 116 A I S S- 0 0 3 -15,-0.3 94,-0.3 94,-0.2 93,-0.1 -0.980 86.1-113.4-129.9 142.5 28.4 70.5 28.9 42 117 A S > - 0 0 11 92,-2.3 4,-2.1 -2,-0.4 5,-0.2 -0.261 24.6-118.3 -66.2 162.3 27.0 69.2 32.2 43 118 A D H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.979 113.5 51.2 -60.4 -55.4 27.6 71.1 35.4 44 119 A D H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.797 113.8 42.6 -62.7 -29.5 29.4 68.3 36.9 45 120 A V H > S+ 0 0 3 2,-0.2 4,-2.7 89,-0.2 -1,-0.2 0.887 112.0 53.5 -82.1 -40.1 31.8 67.8 34.0 46 121 A Y H X S+ 0 0 18 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.973 112.0 46.1 -52.9 -55.9 32.4 71.5 33.5 47 122 A N H X S+ 0 0 63 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.948 111.1 51.9 -48.7 -55.9 33.3 71.7 37.2 48 123 A I H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.872 110.1 49.1 -51.9 -41.9 35.6 68.7 36.9 49 124 A V H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.935 112.4 47.9 -66.8 -44.3 37.4 70.2 34.0 50 125 A M H >< S+ 0 0 41 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.890 109.2 52.9 -61.5 -39.6 37.8 73.5 35.8 51 126 A E T 3< S+ 0 0 107 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.426 126.2 25.0 -76.9 6.4 39.1 71.7 39.0 52 127 A N T <> S+ 0 0 43 -3,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.154 76.8 132.3-153.3 16.4 41.7 69.9 36.8 53 128 A K H <> S+ 0 0 81 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.824 73.9 50.4 -59.3 -37.5 42.3 72.0 33.7 54 129 A D H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.979 113.7 45.4 -59.2 -56.1 46.2 71.9 33.8 55 130 A K H 4 S+ 0 0 108 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.805 118.0 45.4 -55.5 -35.3 46.2 68.1 34.1 56 131 A L H >X S+ 0 0 0 -4,-2.0 3,-0.9 -7,-0.2 4,-0.7 0.927 109.2 51.1 -78.1 -48.3 43.6 67.7 31.4 57 132 A N H 3< S+ 0 0 27 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.806 111.2 48.2 -59.6 -32.5 44.9 70.2 28.8 58 133 A S T 3< S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.562 99.5 64.6 -94.6 -8.4 48.4 68.7 28.8 59 134 A A T <4 S+ 0 0 27 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.706 81.4 99.7 -80.9 -20.7 47.4 65.0 28.5 60 135 A I < - 0 0 13 -4,-0.7 2,-0.9 -3,-0.3 34,-0.0 -0.532 58.3-161.2 -75.3 121.0 45.9 65.7 25.0 61 136 A V > - 0 0 55 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.801 3.4-169.0 -98.7 91.1 48.2 64.7 22.2 62 137 A Y G > S+ 0 0 30 -2,-0.9 3,-0.9 1,-0.3 -1,-0.1 0.549 78.0 76.5 -61.1 -7.4 46.6 66.7 19.3 63 138 A D G > S+ 0 0 108 1,-0.2 3,-2.8 2,-0.1 -1,-0.3 0.878 79.3 72.1 -64.9 -36.3 48.7 64.7 16.8 64 139 A R G X S+ 0 0 38 -3,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.630 77.4 78.2 -60.1 -14.8 46.3 61.9 17.3 65 140 A D G X S+ 0 0 0 -3,-0.9 3,-0.6 1,-0.2 -1,-0.3 0.693 88.0 58.9 -63.3 -19.3 43.8 63.8 15.3 66 141 A F G < S+ 0 0 49 -3,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.656 79.6 85.7 -87.5 -12.9 45.6 62.8 12.2 67 142 A Q G < S+ 0 0 95 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.371 77.5 88.3 -71.3 6.8 45.2 59.1 12.9 68 143 A Y S < S- 0 0 17 -3,-0.6 2,-0.1 1,-0.1 472,-0.1 -0.766 75.1-127.8-103.1 152.9 41.8 59.4 11.1 69 144 A S > - 0 0 38 470,-0.3 4,-3.0 -2,-0.3 5,-0.3 -0.352 31.2-100.0 -85.9 175.2 41.1 59.0 7.4 70 145 A Y H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.963 124.7 41.0 -60.9 -55.7 39.3 61.4 5.1 71 146 A F H > S+ 0 0 97 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.887 117.1 53.7 -61.5 -34.4 36.0 59.6 5.2 72 147 A G H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.966 110.1 41.7 -64.8 -57.5 36.5 58.9 8.9 73 148 A F H 3X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.848 111.5 56.7 -59.2 -37.6 37.1 62.4 10.0 74 149 A K H 3X S+ 0 0 48 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.812 104.9 53.1 -67.7 -27.9 34.3 63.8 7.8 75 150 A T H S+ 0 0 25 -4,-1.2 4,-1.6 -3,-0.5 5,-0.6 0.911 111.9 46.3 -66.9 -43.2 32.0 61.3 9.6 76 151 A L H X>S+ 0 0 9 -4,-1.7 5,-2.3 2,-0.2 4,-1.8 0.907 117.1 42.1 -63.4 -49.0 33.2 62.9 12.9 77 152 A E H <5S+ 0 0 38 -4,-3.2 -2,-0.2 3,-0.2 -3,-0.2 0.961 112.9 52.9 -62.4 -53.9 32.8 66.4 11.7 78 153 A R H <5S- 0 0 174 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.819 134.3 -0.5 -56.7 -36.0 29.5 65.9 10.0 79 154 A S H <5S+ 0 0 49 -4,-1.6 -3,-0.2 -5,-0.2 -1,-0.2 0.660 127.4 46.2-129.0 -21.5 27.8 64.4 13.0 80 155 A Y T < S-B 87 0B 51 3,-3.1 3,-2.2 -2,-0.3 -58,-0.0 -0.992 78.4 -25.6-125.3 120.7 28.6 76.4 17.9 85 160 A N T 3 S- 0 0 108 -2,-0.5 -1,-0.2 1,-0.3 3,-0.0 0.899 132.1 -37.3 38.1 61.0 26.3 78.5 15.8 86 161 A G T 3 S+ 0 0 59 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.136 122.9 78.6 89.1 -23.7 26.7 76.3 12.8 87 162 A Q E < S-B 84 0B 97 -3,-2.2 -3,-3.1 1,-0.0 -1,-0.1 -0.931 84.4 -80.7-133.9 164.1 30.3 75.3 12.9 88 163 A V E +B 83 0B 7 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.195 36.8 167.4 -64.3 120.6 32.6 72.9 14.7 89 164 A A + 0 0 18 -7,-2.6 2,-0.3 -74,-0.1 -73,-0.2 0.823 59.1 70.7 -93.0 -41.5 33.9 73.8 18.1 90 165 A E - 0 0 2 -8,-1.6 -9,-0.1 -75,-0.1 -2,-0.0 -0.574 64.9-147.1 -85.6 138.2 35.4 70.5 19.2 91 166 A R >> - 0 0 13 -2,-0.3 4,-2.5 -75,-0.1 3,-0.7 -0.604 38.4-102.9 -84.5 160.3 38.5 68.8 17.9 92 167 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.892 125.2 51.6 -49.5 -44.4 38.5 65.0 17.8 93 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.803 107.8 52.7 -65.8 -29.4 40.7 64.9 21.0 94 169 A H H <> S+ 0 0 0 -3,-0.7 4,-3.2 2,-0.2 5,-0.3 0.955 107.7 50.1 -69.0 -48.4 38.2 67.2 22.7 95 170 A L H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.948 114.6 46.8 -51.6 -49.7 35.3 64.9 21.8 96 171 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.906 112.5 46.2 -61.7 -46.8 37.4 62.1 23.2 97 172 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.911 114.2 50.4 -65.0 -38.7 38.4 63.8 26.4 98 173 A R H X S+ 0 0 3 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.898 111.1 47.1 -62.4 -43.8 34.8 65.0 26.9 99 174 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.912 110.3 54.9 -63.7 -41.4 33.5 61.4 26.4 100 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.881 111.8 42.6 -59.1 -42.2 36.2 60.2 28.8 101 176 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.889 109.3 56.8 -72.2 -41.7 35.1 62.6 31.6 102 177 A G H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.4 42.1 -57.9 -34.0 31.4 61.9 31.0 103 178 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.946 126.5 27.7 -75.5 -49.3 32.2 58.3 31.6 104 179 A H H >< S- 0 0 7 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.593 77.4-173.7 -99.0 -10.1 34.5 58.5 34.5 105 180 A G T 3< S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.1 -0.316 75.5 0.7 55.5-122.9 33.5 61.7 36.4 106 181 A R T 3 S+ 0 0 137 1,-0.1 2,-2.0 -2,-0.1 -1,-0.3 0.598 106.2 99.2 -74.8 -14.1 36.0 62.5 39.2 107 182 A D <> + 0 0 75 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.523 46.6 171.6 -75.2 83.1 38.1 59.4 38.5 108 183 A I H > S+ 0 0 18 -2,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.819 72.0 60.0 -65.9 -31.9 40.8 61.3 36.6 109 184 A E H > S+ 0 0 163 2,-0.2 4,-2.3 -3,-0.2 3,-0.4 0.993 111.1 38.9 -55.1 -62.1 43.1 58.3 36.4 110 185 A A H > S+ 0 0 13 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.901 112.9 57.1 -54.7 -46.6 40.5 56.2 34.6 111 186 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.3 0.882 109.7 45.4 -54.3 -41.4 39.4 59.2 32.5 112 187 A L H X S+ 0 0 34 -4,-2.3 4,-2.5 -3,-0.4 -1,-0.2 0.853 111.6 51.7 -73.1 -36.7 43.0 59.5 31.3 113 188 A E H X S+ 0 0 90 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.917 113.0 45.7 -64.8 -40.8 43.3 55.8 30.7 114 189 A T H X S+ 0 0 0 -4,-3.6 4,-2.7 2,-0.2 5,-0.3 0.956 112.3 51.0 -67.0 -45.8 40.1 56.0 28.6 115 190 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.929 112.9 46.7 -53.1 -51.7 41.3 59.1 26.7 116 191 A N H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.972 114.6 43.3 -57.5 -58.7 44.6 57.5 25.9 117 192 A L H <>S+ 0 0 17 -4,-2.3 5,-2.8 1,-0.2 6,-0.5 0.853 117.4 46.8 -59.3 -36.5 43.3 54.1 24.7 118 193 A M H ><5S+ 0 0 10 -4,-2.7 3,-2.2 -5,-0.2 -1,-0.2 0.956 111.3 49.7 -70.9 -48.5 40.5 55.7 22.7 119 194 A S H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.775 109.4 53.0 -62.2 -27.1 42.7 58.3 21.1 120 195 A L T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.414 119.5-116.3 -85.8 -0.4 45.2 55.5 20.2 121 196 A K T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 2,-0.2 256,-0.1 0.833 73.2 133.9 74.4 37.5 42.2 53.7 18.6 122 197 A Y S > - 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0 0 67 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.817 30.9-176.2 -85.5 115.4 26.9 27.9 34.5 495 570 A L > - 0 0 4 -2,-0.7 4,-1.7 -3,-0.1 3,-0.1 -0.396 41.5 -85.0-104.1-173.5 28.5 30.3 32.0 496 571 A Q H > S+ 0 0 2 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.920 124.3 46.4 -67.0 -47.6 27.6 30.8 28.3 497 572 A F H >4>S+ 0 0 0 1,-0.2 5,-1.4 2,-0.2 3,-0.9 0.825 107.3 60.5 -60.2 -33.6 29.5 27.9 26.7 498 573 A D H >45S+ 0 0 43 1,-0.3 3,-2.8 3,-0.2 -1,-0.2 0.947 99.8 56.0 -56.4 -47.9 28.3 25.6 29.3 499 574 A M H 3<5S+ 0 0 32 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.650 106.1 49.7 -62.6 -17.7 24.8 26.4 28.1 500 575 A W T <<5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.253 118.4-117.6 -94.3 12.6 25.9 25.3 24.6 501 576 A D T < 5S+ 0 0 151 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.960 70.7 131.6 41.8 63.8 27.2 22.1 26.3 502 577 A Q < - 0 0 88 -5,-1.4 -1,-0.2 119,-0.1 -2,-0.2 -0.999 61.7-123.7-139.6 139.5 30.8 22.8 25.2 503 578 A K - 0 0 183 -2,-0.4 2,-0.0 -3,-0.1 0, 0.0 -0.625 43.6-111.7 -67.8 141.1 34.1 22.9 26.9 504 579 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 118,-0.0 -0.300 31.1-102.6 -66.6 165.6 35.6 26.4 26.4 505 580 A Y - 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0 0 52 -28,-0.1 -23,-0.2 1,-0.1 3,-0.1 -0.990 360.0-179.7-136.4 136.5 14.9 21.7 0.2 667 3 B L S S+ 0 0 44 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.438 78.9 74.3-104.6 -6.8 17.4 21.8 3.1 668 4 B D + 0 0 148 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.772 65.7 125.8-111.6 87.3 20.3 20.5 1.0 669 5 B A - 0 0 29 -2,-0.7 2,-0.7 -30,-0.1 0, 0.0 -0.965 65.9 -96.5-140.0 155.4 21.5 23.3 -1.3 670 6 B D 0 0 156 -2,-0.3 -30,-0.1 1,-0.2 -2,-0.0 -0.602 360.0 360.0 -74.6 108.8 24.8 25.0 -2.1 671 7 B F 0 0 32 -2,-0.7 -62,-2.5 -28,-0.1 -1,-0.2 0.492 360.0 360.0-137.1 360.0 25.0 28.1 -0.0