==== 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 08-MAR-10 3M31 . COMPND 2 MOLECULE: ENDOPLASMIC OXIDOREDUCTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.HELDMAN,D.FASS . 357 3 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 73.9 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 0 0.0 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 0 0 1 0 1 0 0 0 1 0 1 0 1 0 1 0 1 0 0 1 1 0 0 0 0 1 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 54 A G > 0 0 79 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -70.8 44.9 26.5 18.8 2 55 A S H > + 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.861 360.0 56.0 -67.4 -36.0 42.0 27.7 16.7 3 56 A F H > S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.935 102.0 57.3 -59.8 -47.0 44.1 30.7 15.6 4 57 A N H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 111.2 41.3 -51.7 -47.1 46.8 28.3 14.4 5 58 A E H X S+ 0 0 84 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.948 117.4 44.3 -69.6 -51.1 44.4 26.5 12.0 6 59 A L H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.847 113.4 54.4 -63.2 -31.7 42.5 29.6 10.7 7 60 A N H X S+ 0 0 30 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.917 106.7 49.6 -67.7 -42.3 45.9 31.3 10.4 8 61 A A H X S+ 0 0 51 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.925 110.5 50.9 -61.9 -44.0 47.2 28.4 8.2 9 62 A I H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.933 109.6 50.9 -58.5 -45.1 44.1 28.6 6.1 10 63 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.857 103.4 57.7 -62.8 -36.6 44.6 32.3 5.6 11 64 A E H < S+ 0 0 96 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.871 108.8 48.3 -62.1 -35.2 48.3 32.0 4.6 12 65 A N H < S+ 0 0 109 -4,-1.5 4,-0.3 -3,-0.4 -2,-0.2 0.890 122.3 29.8 -73.0 -39.8 47.1 29.7 1.8 13 66 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.1 5,-0.3 0.600 89.9 97.8 -99.0 -11.3 44.3 31.9 0.4 14 67 A R H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 5,-0.1 0.871 90.6 37.1 -45.2 -55.5 45.5 35.4 1.2 15 68 A D H > S+ 0 0 109 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.882 118.0 49.0 -70.4 -37.9 47.0 36.3 -2.2 16 69 A D H > S+ 0 0 88 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.888 112.3 49.4 -68.6 -37.2 44.4 34.6 -4.3 17 70 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.951 110.9 49.8 -65.0 -46.7 41.6 36.2 -2.4 18 71 A S H < S+ 0 0 31 -4,-2.2 4,-0.5 -5,-0.3 -2,-0.2 0.871 112.0 48.6 -58.9 -37.5 43.3 39.6 -2.8 19 72 A A H >< S+ 0 0 54 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.943 110.2 51.3 -66.9 -47.9 43.6 38.9 -6.5 20 73 A L H >< S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.3 6,-0.4 0.898 105.7 54.8 -55.4 -45.4 40.0 37.8 -6.8 21 74 A L T 3< S+ 0 0 11 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.620 102.4 58.3 -68.0 -11.9 38.7 41.0 -5.0 22 75 A K T < S+ 0 0 121 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.559 83.9 110.5 -91.9 -10.4 40.5 43.1 -7.6 23 76 A S S <> S- 0 0 18 -3,-1.6 4,-2.7 -4,-0.5 3,-0.3 -0.172 84.1-111.7 -61.7 157.1 38.6 41.5 -10.5 24 77 A D T 4 S+ 0 0 116 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.863 116.9 56.3 -58.7 -37.1 36.1 43.6 -12.4 25 78 A F T 4 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.876 121.2 25.3 -63.7 -40.2 33.3 41.4 -11.0 26 79 A F T 4 S+ 0 0 0 -6,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.646 101.4 80.8-102.1 -16.4 34.2 42.1 -7.3 27 80 A K S < S+ 0 0 35 -4,-2.7 86,-3.2 -7,-0.2 87,-0.4 0.632 83.3 70.0 -69.3 -15.7 36.0 45.5 -7.3 28 81 A Y E -A 112 0A 55 -4,-0.5 2,-0.4 84,-0.2 84,-0.2 -0.801 56.9-170.3-108.2 148.9 32.9 47.6 -7.4 29 82 A F E -A 111 0A 0 82,-1.7 82,-2.9 -2,-0.3 2,-0.5 -1.000 24.5-124.9-136.2 133.4 30.3 48.3 -4.8 30 83 A R E +A 110 0A 18 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.658 35.7 176.3 -79.1 120.6 27.0 50.1 -5.2 31 84 A L E -A 109 0A 5 78,-3.0 78,-2.4 -2,-0.5 2,-0.7 -0.990 29.3-135.5-130.2 134.0 26.7 53.0 -2.7 32 85 A D E -A 108 0A 35 -2,-0.4 76,-0.3 76,-0.3 74,-0.0 -0.786 9.7-158.8 -87.5 115.0 23.9 55.5 -2.3 33 86 A L S S+ 0 0 76 74,-3.0 2,-0.5 -2,-0.7 -1,-0.2 0.715 71.0 94.9 -65.2 -19.3 25.6 58.9 -1.8 34 87 A Y - 0 0 46 73,-0.1 2,-0.5 -3,-0.1 -2,-0.1 -0.626 68.0-155.3 -76.4 124.3 22.3 60.0 -0.3 35 88 A K - 0 0 17 -2,-0.5 2,-0.6 2,-0.0 7,-0.3 -0.883 14.6-169.4-109.1 131.2 22.5 59.6 3.5 36 89 A Q + 0 0 99 -2,-0.5 2,-0.4 241,-0.1 244,-0.2 -0.768 16.8 171.1-118.1 83.8 19.5 59.2 5.7 37 90 A a - 0 0 11 -2,-0.6 5,-0.2 3,-0.2 6,-0.1 -0.810 19.9-167.4 -97.2 133.1 20.6 59.6 9.3 38 91 A S S S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.887 86.4 59.2 -82.7 -43.2 18.0 59.8 12.1 39 92 A F S S- 0 0 122 1,-0.1 2,-0.3 239,-0.0 -1,-0.2 0.659 127.7 -33.6 -60.9 -15.9 20.3 60.9 14.9 40 93 A W S S- 0 0 72 5,-0.0 2,-0.6 -3,-0.0 -3,-0.2 -0.979 81.7 -57.1 177.4-177.6 21.1 64.0 12.8 41 94 A D + 0 0 93 -2,-0.3 -5,-0.1 1,-0.1 -3,-0.1 -0.760 43.4 161.3 -89.3 120.2 21.7 65.4 9.3 42 95 A A + 0 0 2 -2,-0.6 -1,-0.1 -7,-0.3 -6,-0.1 0.352 62.5 76.7-115.7 -0.0 24.4 63.6 7.4 43 96 A N S S- 0 0 73 -8,-0.1 -7,-0.1 -6,-0.1 -2,-0.0 0.974 127.3 -17.9 -74.5 -59.4 23.3 64.9 3.9 44 97 A D S S+ 0 0 131 2,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.495 105.3 114.4-124.0 -16.0 24.7 68.5 4.1 45 98 A G - 0 0 27 1,-0.0 2,-0.1 2,-0.0 -5,-0.0 -0.464 55.6-150.9 -64.9 114.3 25.2 68.8 7.9 46 99 A L - 0 0 148 -2,-0.5 2,-0.8 1,-0.1 -5,-0.1 -0.394 16.6-112.1 -83.8 163.8 28.9 69.2 8.5 47 100 A b - 0 0 42 -2,-0.1 3,-0.4 -5,-0.1 5,-0.2 -0.842 40.5-169.7-101.6 103.9 30.7 68.1 11.6 48 101 A L > + 0 0 126 -2,-0.8 3,-1.9 1,-0.2 4,-0.1 -0.271 58.7 28.6 -88.7 174.2 32.1 71.1 13.5 49 102 A N T 3 S- 0 0 163 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.727 124.0 -74.3 48.0 28.5 34.4 71.6 16.5 50 103 A R T > S+ 0 0 107 -3,-0.4 3,-1.0 1,-0.1 -1,-0.3 0.871 85.1 150.7 56.1 40.9 36.2 68.4 15.5 51 104 A A T < S+ 0 0 37 -3,-1.9 76,-2.8 1,-0.2 77,-0.3 0.560 75.4 44.5 -77.1 -6.8 33.3 66.3 16.8 52 105 A b T 3 S+ 0 0 15 -5,-0.2 72,-1.5 74,-0.2 2,-0.3 0.152 98.5 86.5-122.1 17.1 34.3 63.7 14.1 53 106 A S B < -C 123 0B 13 -3,-1.0 70,-0.2 70,-0.3 2,-0.2 -0.909 69.2-124.2-123.1 150.5 38.1 63.6 14.4 54 107 A V 0 0 37 68,-2.5 70,-0.1 -2,-0.3 -2,-0.1 -0.543 360.0 360.0 -86.6 153.8 40.5 61.6 16.6 55 108 A D 0 0 199 -2,-0.2 -1,-0.1 2,-0.0 69,-0.0 0.918 360.0 360.0 -78.9 360.0 43.1 63.3 18.8 56 ! 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 57 113 A W > 0 0 46 0, 0.0 3,-1.5 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -7.1 45.7 68.7 13.1 58 114 A D T 3 + 0 0 140 1,-0.3 4,-0.1 7,-0.0 7,-0.0 0.752 360.0 47.4 -61.7 -26.5 46.3 72.5 13.3 59 115 A T T 3 S+ 0 0 135 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.320 98.5 86.2 -99.3 6.6 50.0 72.0 12.5 60 116 A L S < S- 0 0 42 -3,-1.5 4,-0.1 1,-0.1 5,-0.0 -0.803 88.7 -90.5-108.9 150.4 49.4 69.6 9.6 61 117 A P > - 0 0 43 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.119 37.0-112.7 -55.1 153.6 48.8 70.6 5.9 62 118 A E G > S+ 0 0 167 1,-0.3 3,-0.9 2,-0.2 6,-0.1 0.693 113.5 64.2 -62.4 -20.6 45.2 71.1 4.8 63 119 A Y G 3 S+ 0 0 138 1,-0.2 -1,-0.3 5,-0.1 0, 0.0 0.403 99.0 54.0 -86.2 4.4 45.5 68.0 2.5 64 120 A W G < S+ 0 0 46 -3,-1.8 -1,-0.2 -7,-0.1 -2,-0.2 0.128 78.7 123.0-120.2 17.2 46.0 65.7 5.5 65 121 A Q S X> S- 0 0 36 -3,-0.9 4,-2.2 1,-0.1 3,-2.1 -0.526 76.7-109.9 -78.2 147.8 42.9 66.8 7.4 66 122 A P H 3> S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 57,-0.2 0.851 117.2 60.3 -43.5 -46.0 40.4 64.0 8.4 67 123 A E H 34 S+ 0 0 140 1,-0.2 218,-0.2 2,-0.2 55,-0.1 0.772 112.1 39.4 -56.3 -29.3 37.8 65.4 5.9 68 124 A I H X4 S+ 0 0 82 -3,-2.1 3,-1.4 2,-0.2 -1,-0.2 0.872 111.3 55.1 -88.0 -43.5 40.3 64.8 3.1 69 125 A L H 3< S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 53,-0.1 0.836 113.2 43.8 -59.6 -33.2 41.8 61.5 4.3 70 126 A G T 3< S+ 0 0 3 -4,-2.3 216,-2.7 51,-0.4 -1,-0.3 0.381 92.5 111.5 -94.6 5.0 38.3 60.0 4.4 71 127 A S < - 0 0 42 -3,-1.4 -3,-0.1 214,-0.2 213,-0.0 -0.431 68.7-109.2 -80.9 153.7 37.1 61.4 1.1 72 128 A F - 0 0 32 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.290 20.0-120.5 -75.4 162.4 36.3 59.4 -2.1 73 129 A N >> - 0 0 68 39,-0.1 3,-1.4 1,-0.1 4,-0.7 -0.876 27.2-168.5-104.7 93.9 38.4 59.3 -5.2 74 130 A N T 34 S+ 0 0 130 -2,-0.9 3,-0.3 1,-0.2 -1,-0.1 0.701 72.6 76.9 -58.0 -23.5 35.8 60.5 -7.7 75 131 A D T 34 S+ 0 0 133 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.762 99.5 40.1 -62.2 -27.6 37.9 59.6 -10.8 76 132 A T T <4 S+ 0 0 24 -3,-1.4 -1,-0.2 36,-0.1 -2,-0.2 0.680 89.7 108.4 -96.0 -20.4 37.2 55.9 -10.5 77 133 A M < - 0 0 27 -4,-0.7 2,-0.3 -3,-0.3 34,-0.2 -0.211 51.5-158.5 -59.7 146.5 33.5 56.0 -9.6 78 134 A K E -B 110 0A 103 32,-2.6 32,-3.3 1,-0.0 2,-0.1 -0.906 24.9 -94.8-126.8 155.3 31.0 54.9 -12.2 79 135 A E E -B 109 0A 164 -2,-0.3 2,-0.6 30,-0.2 30,-0.2 -0.371 31.7-142.4 -68.8 145.8 27.3 55.6 -12.6 80 136 A A - 0 0 19 28,-1.0 28,-0.2 -49,-0.1 2,-0.1 -0.922 23.2-179.7-115.5 108.6 24.8 53.1 -11.2 81 137 A D > - 0 0 74 -2,-0.6 3,-2.1 1,-0.1 28,-0.0 -0.465 46.3 -96.5 -99.8 173.9 21.7 52.5 -13.3 82 138 A D T 3 S+ 0 0 100 1,-0.3 16,-0.8 -2,-0.1 15,-0.2 0.554 122.9 61.6 -66.5 -6.7 18.7 50.2 -12.8 83 139 A S T 3 S+ 0 0 68 14,-0.1 -1,-0.3 13,-0.1 2,-0.1 0.389 72.6 130.9 -98.8 1.1 20.4 47.7 -15.0 84 140 A D X - 0 0 17 -3,-2.1 3,-1.8 1,-0.2 4,-0.3 -0.366 58.8-138.6 -58.3 123.1 23.4 47.4 -12.7 85 141 A D G > S+ 0 0 71 1,-0.3 3,-1.7 2,-0.2 240,-0.5 0.704 93.9 77.9 -59.0 -22.7 24.0 43.6 -12.1 86 142 A E G 3 S+ 0 0 4 1,-0.3 240,-2.4 239,-0.2 241,-0.3 0.816 91.7 54.9 -58.0 -27.7 24.6 44.2 -8.4 87 143 A c G < S+ 0 0 0 -3,-1.8 -1,-0.3 238,-0.2 -2,-0.2 0.632 93.1 96.7 -79.9 -13.8 20.9 44.4 -8.0 88 144 A K S < S- 0 0 29 -3,-1.7 237,-2.1 -4,-0.3 238,-0.3 -0.445 80.2-112.3 -81.8 150.6 20.3 41.0 -9.7 89 145 A F B >> -D 324 0C 62 235,-0.2 3,-1.5 -2,-0.1 4,-1.0 -0.441 32.4-114.8 -70.5 151.6 19.9 37.6 -8.0 90 146 A L H 3> S+ 0 0 0 233,-2.8 4,-0.6 231,-0.3 3,-0.5 0.853 117.6 63.6 -58.6 -31.7 22.8 35.3 -8.6 91 147 A D H 34 S+ 0 0 88 230,-2.1 -1,-0.3 232,-0.3 3,-0.2 0.780 101.6 50.5 -61.4 -28.4 20.3 33.2 -10.6 92 148 A Q H <4 S+ 0 0 74 -3,-1.5 -1,-0.2 229,-0.3 -2,-0.2 0.744 87.7 82.0 -83.9 -24.2 19.8 36.0 -13.1 93 149 A L H < 0 0 28 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.884 360.0 360.0 -47.9 -51.4 23.5 36.7 -13.8 94 150 A A < 0 0 48 -4,-0.6 -1,-0.3 129,-0.6 132,-0.2 0.645 360.0 360.0 -80.5 360.0 23.8 33.8 -16.4 95 ! 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 96 164 A N > 0 0 111 0, 0.0 4,-3.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -93.8 13.0 47.0 -12.3 97 165 A Y H > + 0 0 86 1,-0.3 4,-2.2 2,-0.2 6,-0.3 0.885 360.0 44.4 -46.5 -51.6 15.7 44.7 -10.7 98 166 A c H 4>S+ 0 0 0 -16,-0.8 5,-2.3 1,-0.2 -1,-0.3 0.830 117.4 47.3 -65.5 -30.1 17.1 47.5 -8.5 99 167 A D H >45S+ 0 0 104 -3,-0.5 3,-1.1 3,-0.2 -2,-0.2 0.868 110.2 51.8 -77.7 -38.1 13.6 48.6 -7.7 100 168 A V H 3<5S+ 0 0 97 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.914 108.4 49.7 -64.3 -45.9 12.4 45.0 -6.9 101 169 A N T 3<5S- 0 0 36 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.155 120.3-106.7 -83.0 21.0 15.2 44.2 -4.5 102 170 A D T < 5 + 0 0 127 -3,-1.1 2,-2.3 1,-0.2 -3,-0.2 0.678 67.3 151.6 64.4 20.7 14.6 47.5 -2.6 103 171 A F < + 0 0 33 -5,-2.3 2,-0.9 -6,-0.3 -1,-0.2 -0.530 14.0 158.4 -81.3 75.8 17.7 49.2 -4.0 104 172 A N + 0 0 106 -2,-2.3 2,-0.5 -3,-0.1 -1,-0.1 -0.575 5.9 156.4-102.6 69.0 16.1 52.6 -3.7 105 173 A G > - 0 0 29 -2,-0.9 3,-0.6 1,-0.1 -2,-0.0 -0.813 35.9-153.1 -96.3 132.5 19.0 55.0 -3.6 106 174 A K T 3 S+ 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 -74,-0.0 0.807 96.9 19.0 -71.4 -29.8 18.4 58.6 -4.7 107 175 A N T 3 S+ 0 0 93 -73,-0.1 -74,-3.0 -3,-0.1 -1,-0.3 -0.463 84.2 171.5-140.3 64.1 22.0 59.0 -5.7 108 176 A A E < +A 32 0A 18 -3,-0.6 -28,-1.0 -76,-0.3 2,-0.3 -0.533 2.8 168.6 -79.9 140.9 23.5 55.5 -6.2 109 177 A V E -AB 31 79A 26 -78,-2.4 -78,-3.0 -2,-0.2 2,-0.6 -0.913 35.8-113.5-142.4 166.3 26.9 55.1 -7.7 110 178 A L E -AB 30 78A 24 -32,-3.3 -32,-2.6 -2,-0.3 2,-0.4 -0.938 31.5-154.0-108.6 119.5 29.5 52.3 -8.1 111 179 A I E -A 29 0A 0 -82,-2.9 -82,-1.7 -2,-0.6 2,-0.9 -0.768 15.8-126.5 -97.8 138.7 32.7 52.8 -6.2 112 180 A D E >> -A 28 0A 12 -2,-0.4 4,-0.7 -39,-0.2 3,-0.5 -0.733 19.1-165.1 -82.3 106.9 36.0 51.3 -7.1 113 181 A L T 34 S+ 0 0 10 -86,-3.2 -1,-0.2 -2,-0.9 -85,-0.1 0.691 85.4 61.1 -68.6 -19.4 37.1 49.5 -4.0 114 182 A T T 34 S+ 0 0 73 -87,-0.4 -1,-0.2 1,-0.2 -86,-0.1 0.859 110.2 40.2 -75.4 -33.7 40.7 49.2 -5.3 115 183 A A T <4 S+ 0 0 30 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.510 118.8 49.3 -90.4 -6.7 41.0 53.0 -5.5 116 184 A N S < S+ 0 0 0 -4,-0.7 -1,-0.2 -44,-0.1 -2,-0.1 -0.489 77.6 173.5-131.5 63.7 39.2 53.5 -2.1 117 185 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.264 41.1-100.4 -70.9 157.1 40.8 51.1 0.4 118 186 A E + 0 0 19 -5,-0.1 2,-0.3 172,-0.1 169,-0.1 -0.671 65.5 136.3 -78.0 127.1 40.0 51.1 4.1 119 187 A R - 0 0 50 -2,-0.4 51,-0.3 -50,-0.1 2,-0.2 -0.888 60.5 -51.7-156.3-177.5 42.7 53.0 5.9 120 188 A F + 0 0 13 53,-2.3 47,-0.0 49,-0.4 51,-0.0 -0.506 50.4 165.1 -66.9 132.1 43.3 55.5 8.6 121 189 A T - 0 0 10 -2,-0.2 -51,-0.4 2,-0.2 -52,-0.3 0.429 52.2-115.3-125.8 -10.2 41.1 58.6 7.9 122 190 A G + 0 0 1 1,-0.3 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4,-1.9 2,-0.2 -2,-0.2 0.953 112.5 47.9 -66.1 -50.7 34.1 44.2 13.0 163 231 A H H X S+ 0 0 64 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.895 113.8 48.5 -55.6 -44.4 35.3 47.1 15.3 164 232 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.872 105.4 56.3 -67.1 -39.4 38.7 45.4 15.7 165 233 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.897 109.7 47.2 -61.8 -37.6 39.1 44.8 12.0 166 234 A I H X S+ 0 0 38 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.941 111.3 50.3 -67.9 -45.4 38.7 48.5 11.4 167 235 A G H X S+ 0 0 7 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.865 111.2 50.3 -60.0 -35.6 41.1 49.3 14.2 168 236 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.902 110.5 48.9 -69.9 -40.5 43.6 46.9 12.7 169 237 A H H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -49,-0.4 0.893 109.8 49.7 -67.3 -41.0 43.3 48.5 9.2 170 238 A L H < S+ 0 0 25 -4,-2.6 -50,-0.3 -51,-0.3 -1,-0.2 0.773 114.6 47.0 -70.9 -21.9 43.8 52.1 10.4 171 239 A S H < S+ 0 0 0 -4,-1.0 14,-2.2 -5,-0.3 3,-0.5 0.866 114.4 45.6 -82.4 -40.3 46.9 50.9 12.3 172 240 A K H < S+ 0 0 57 -4,-2.4 2,-0.6 1,-0.3 -2,-0.2 0.879 120.6 39.1 -70.7 -39.0 48.3 48.9 9.4 173 241 A E S < S+ 0 0 51 -4,-2.7 -53,-2.3 -5,-0.2 2,-0.3 -0.648 85.7 155.6-113.5 72.8 47.6 51.7 6.9 174 242 A Y E -E 183 0D 64 9,-1.9 9,-2.9 -2,-0.6 2,-0.7 -0.746 42.9-121.3-103.1 146.6 48.5 54.8 8.9 175 243 A L E -E 182 0D 3 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.767 16.3-147.6 -91.1 117.0 49.6 58.2 7.6 176 244 A N > - 0 0 41 5,-2.3 4,-2.7 -2,-0.7 5,-0.5 -0.745 6.9-155.5 -82.0 109.6 53.0 59.3 8.8 177 245 A T T 4 S+ 0 0 59 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.0 0.545 87.7 53.6 -65.3 -7.0 52.7 63.1 9.0 178 246 A K T 4 S+ 0 0 200 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.871 123.0 21.2 -93.7 -45.4 56.4 63.6 8.7 179 247 A T T 4 S- 0 0 69 2,-0.2 -2,-0.2 -3,-0.2 3,-0.1 0.628 95.5-131.9 -96.5 -18.4 57.2 61.6 5.5 180 248 A G < + 0 0 26 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.731 63.1 128.2 73.4 21.6 53.7 61.7 4.2 181 249 A K - 0 0 111 -5,-0.5 -5,-2.3 -7,-0.0 2,-0.5 -0.853 63.1-117.8-113.2 148.4 53.7 58.0 3.4 182 250 A W E +E 175 0D 76 -2,-0.3 -7,-0.2 -7,-0.2 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0.720 144.1 -6.9-102.0 -26.1 43.7 49.5 19.6 193 261 A I T ><5S+ 0 0 2 -4,-3.3 3,-2.2 -5,-0.3 7,-0.3 0.622 115.4 68.5-134.8 -55.1 44.3 45.7 19.3 194 262 A G T 3 - 0 0 91 -3,-2.2 3,-2.1 1,-0.1 4,-0.7 -0.700 63.2-177.0-130.6 79.0 43.4 43.7 24.2 197 265 A P H >> S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.756 78.1 63.1 -44.1 -40.4 43.7 39.9 23.3 198 266 A D H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.779 95.7 59.4 -64.7 -24.9 39.9 39.4 23.1 199 267 A R H <> S+ 0 0 95 -3,-2.1 4,-1.2 -6,-0.3 -1,-0.2 0.856 106.3 48.0 -71.2 -33.1 39.7 41.8 20.1 200 268 A V H X S+ 0 0 1 -4,-1.7 3,-2.0 1,-0.2 4,-0.6 0.723 90.4 89.5 -88.4 -20.1 27.1 28.3 -0.3 218 286 A Q G >< S+ 0 0 45 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.837 83.8 54.0 -44.4 -49.1 29.9 27.2 -2.6 219 287 A P G 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.733 115.2 41.7 -62.6 -19.3 28.2 24.0 -3.8 220 288 A Y G <4 S+ 0 0 51 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.341 78.3 126.4-111.5 6.2 25.1 25.9 -4.8 221 289 A L << - 0 0 10 -3,-1.2 100,-0.1 -4,-0.6 3,-0.1 -0.469 56.0-133.1 -66.7 128.8 26.5 29.0 -6.5 222 290 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.345 33.6 -82.5 -77.6 165.5 25.0 29.5 -9.9 223 291 A E - 0 0 83 1,-0.1 -129,-0.6 -132,-0.1 3,-0.1 -0.315 27.2-142.3 -64.4 151.0 27.2 30.2 -13.0 224 292 A F S S- 0 0 6 1,-0.4 2,-0.3 7,-0.2 -1,-0.1 0.734 80.3 -16.6 -84.7 -24.8 28.2 33.9 -13.4 225 293 A S - 0 0 23 6,-0.1 -1,-0.4 1,-0.1 -131,-0.2 -0.962 47.5-144.4-171.2 159.9 27.8 33.5 -17.2 226 294 A F S S+ 0 0 148 -2,-0.3 -1,-0.1 -132,-0.2 -132,-0.1 0.823 100.8 19.7-100.5 -45.0 27.6 30.9 -19.9 227 295 A A S S+ 0 0 86 -133,-0.1 2,-0.5 5,-0.0 3,-0.1 0.814 97.9 96.6 -95.9 -36.8 29.4 32.6 -22.8 228 296 A D > - 0 0 63 1,-0.2 4,-1.4 2,-0.1 5,-0.1 -0.406 52.4-168.2 -62.3 109.1 31.5 35.2 -21.0 229 297 A L H > S+ 0 0 129 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.873 83.7 57.4 -64.9 -39.7 35.0 33.7 -20.5 230 298 A V H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.955 111.3 39.5 -57.4 -55.5 36.0 36.5 -18.1 231 299 A N H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.783 112.5 59.8 -66.4 -26.6 33.2 35.9 -15.7 232 300 A K H X S+ 0 0 61 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.934 107.1 43.5 -67.3 -45.6 33.6 32.2 -16.1 233 301 A E H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.826 109.1 60.3 -68.6 -30.7 37.2 32.2 -14.9 234 302 A I H X S+ 0 0 10 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.919 104.6 47.2 -62.2 -45.1 36.2 34.6 -12.1 235 303 A K H X S+ 0 0 22 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.815 111.5 53.2 -66.1 -31.2 33.7 32.0 -10.7 236 304 A N H X S+ 0 0 76 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.898 108.1 48.5 -70.1 -43.0 36.4 29.4 -11.0 237 305 A K H X S+ 0 0 104 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.801 109.6 54.1 -68.1 -28.7 38.9 31.4 -9.1 238 306 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.929 108.6 47.9 -70.4 -44.5 36.3 32.0 -6.4 239 307 A D H X S+ 0 0 17 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.858 107.3 57.1 -63.4 -35.5 35.8 28.3 -6.0 240 308 A N H X S+ 0 0 94 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.894 110.7 43.6 -63.7 -38.9 39.5 27.7 -5.8 241 309 A V H >< S+ 0 0 4 -4,-1.5 3,-1.3 2,-0.2 4,-0.2 0.972 116.1 45.8 -68.9 -54.5 39.7 30.1 -2.8 242 310 A I H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 4,-0.3 0.857 102.6 64.2 -58.9 -37.3 36.6 28.7 -1.1 243 311 A S H >< S+ 0 0 64 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.782 99.7 55.8 -58.9 -24.5 37.6 25.1 -1.6 244 312 A Q T << S+ 0 0 77 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.463 88.5 78.3 -87.5 -1.0 40.7 25.7 0.6 245 313 A L T < + 0 0 1 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.612 60.3 128.8 -83.6 -12.0 38.6 27.0 3.6 246 314 A D < + 0 0 81 -3,-0.6 2,-0.3 -4,-0.3 -34,-0.0 -0.143 27.0 150.6 -50.8 132.5 37.5 23.6 4.8 247 315 A T > - 0 0 5 1,-0.0 3,-1.5 -35,-0.0 4,-0.1 -0.974 56.7-119.0-160.3 151.4 38.2 23.1 8.5 248 316 A K G > S+ 0 0 151 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.630 105.4 80.6 -70.3 -11.9 36.7 21.1 11.4 249 317 A I G > S+ 0 0 14 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.824 80.1 68.1 -62.1 -27.8 36.0 24.4 13.1 250 318 A F G < S+ 0 0 11 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 82.6 72.6 -66.0 -14.5 33.0 24.6 10.8 251 319 A N G < S+ 0 0 127 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.682 82.6 90.7 -72.6 -16.5 31.5 21.7 12.8 252 320 A E S < S- 0 0 102 -3,-1.9 2,-2.0 -4,-0.3 3,-0.2 -0.608 86.1-126.7 -81.7 139.1 31.0 24.3 15.5 253 321 A D > + 0 0 35 -2,-0.3 3,-2.1 1,-0.2 6,-0.1 -0.552 36.7 178.1 -85.6 72.9 27.7 26.1 15.5 254 322 A L T 3 S+ 0 0 16 -2,-2.0 -1,-0.2 1,-0.3 -45,-0.1 0.801 77.5 32.1 -46.0 -44.8 29.4 29.5 15.6 255 323 A V T 3 S- 0 0 2 -3,-0.2 -1,-0.3 -46,-0.1 5,-0.1 0.152 111.9-112.5-104.9 19.3 26.3 31.6 15.5 256 324 A F X> + 0 0 44 -3,-2.1 4,-2.6 1,-0.1 3,-0.9 0.864 56.7 161.8 53.8 42.2 24.2 29.2 17.5 257 325 A A T 34 S+ 0 0 2 1,-0.3 -1,-0.1 2,-0.2 8,-0.1 0.842 75.0 48.0 -59.5 -34.0 22.0 28.5 14.4 258 326 A N T 34 S+ 0 0 96 1,-0.1 -1,-0.3 51,-0.1 -2,-0.1 0.636 116.7 42.4 -81.9 -16.0 20.8 25.3 16.1 259 327 A D T <4 S+ 0 0 83 -3,-0.9 2,-0.2 -6,-0.1 -2,-0.2 0.752 91.4 90.4-102.5 -28.4 20.0 26.9 19.4 260 328 A L S < S- 0 0 9 -4,-2.6 -113,-0.2 -5,-0.1 -5,-0.0 -0.501 73.6-125.9 -75.8 136.3 18.3 30.2 18.5 261 329 A S > - 0 0 27 -115,-1.3 4,-2.2 -2,-0.2 5,-0.2 -0.291 28.7-106.2 -71.8 162.8 14.6 30.3 18.1 262 330 A L H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.856 122.2 54.7 -59.2 -35.6 13.1 31.6 14.9 263 331 A T H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 108.4 46.9 -64.4 -46.5 12.1 34.8 16.7 264 332 A L H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.862 109.6 55.1 -63.9 -36.5 15.6 35.4 17.9 265 333 A K H X S+ 0 0 28 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.939 110.1 44.7 -63.0 -45.9 17.0 34.8 14.4 266 334 A D H X S+ 0 0 85 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.894 115.9 47.8 -64.6 -39.6 14.7 37.4 12.9 267 335 A E H X S+ 0 0 30 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.932 112.2 49.1 -64.9 -45.6 15.6 39.8 15.7 268 336 A F H X S+ 0 0 0 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.949 115.0 44.9 -57.8 -49.5 19.3 39.0 15.3 269 337 A R H X S+ 0 0 72 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.909 113.7 49.8 -60.5 -44.3 18.9 39.6 11.5 270 338 A S H X S+ 0 0 57 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.844 106.0 58.0 -64.1 -34.2 16.8 42.8 12.2 271 339 A R H X S+ 0 0 36 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.948 106.5 46.5 -62.0 -49.1 19.5 44.0 14.6 272 340 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.788 105.3 61.4 -66.8 -24.0 22.2 43.9 11.9 273 341 A K H X S+ 0 0 154 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.925 104.0 49.4 -65.5 -41.6 19.8 45.7 9.6 274 342 A N H X S+ 0 0 76 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.841 108.7 53.2 -64.2 -34.8 19.7 48.6 12.0 275 343 A V H X S+ 0 0 4 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.953 106.9 50.4 -65.2 -49.2 23.5 48.5 12.1 276 344 A T H >< S+ 0 0 24 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.905 111.7 51.7 -54.3 -40.1 23.8 48.7 8.3 277 345 A K H >< S+ 0 0 76 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.859 101.6 56.5 -67.3 -38.0 21.4 51.7 8.6 278 346 A I H >< S+ 0 0 15 -4,-2.0 3,-2.0 1,-0.3 4,-0.3 0.652 87.3 80.4 -70.9 -10.9 23.4 53.6 11.2 279 347 A M G X< S+ 0 0 8 -4,-0.9 3,-1.5 -3,-0.7 -1,-0.3 0.786 80.0 69.0 -62.8 -24.0 26.3 53.5 8.8 280 348 A D G < S+ 0 0 10 -3,-1.6 -1,-0.3 -4,-0.3 -243,-0.2 0.618 91.1 60.3 -69.5 -11.4 24.5 56.4 7.1 281 349 A a G < S+ 0 0 3 -3,-2.0 2,-0.6 -245,-0.1 -1,-0.3 0.520 77.3 108.8 -91.9 -7.6 25.3 58.5 10.1 282 350 A V < - 0 0 9 -3,-1.5 6,-0.1 -4,-0.3 -230,-0.0 -0.614 55.7-160.2 -75.1 116.8 29.0 58.1 9.6 283 351 A Q + 0 0 37 -2,-0.6 2,-0.5 4,-0.1 -1,-0.2 0.823 69.4 85.2 -66.2 -35.7 30.5 61.4 8.4 284 352 A d S > S- 0 0 13 1,-0.1 4,-2.5 -232,-0.1 5,-0.2 -0.591 70.3-151.3 -73.4 118.6 33.6 59.9 6.9 285 353 A D H > S+ 0 0 57 -2,-0.5 4,-2.3 1,-0.2 -214,-0.2 0.914 93.5 44.4 -57.8 -51.4 32.9 58.8 3.3 286 354 A R H > S+ 0 0 19 -216,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.867 114.4 51.5 -64.1 -34.4 35.4 55.9 3.1 287 355 A d H > S+ 0 0 36 -217,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.907 110.0 48.8 -67.5 -42.1 34.4 54.8 6.6 288 356 A R H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.908 110.3 52.3 -64.0 -41.8 30.8 54.7 5.6 289 357 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.958 115.1 39.1 -58.5 -55.0 31.5 52.8 2.5 290 358 A W H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.786 114.1 55.7 -69.4 -25.9 33.5 50.0 4.2 291 359 A G H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.913 109.8 46.1 -70.4 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35.5 6.5 302 370 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.921 109.0 51.2 -65.2 -46.8 24.0 35.4 9.2 303 371 A K H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.922 114.2 46.4 -56.5 -43.8 21.2 35.0 6.7 304 372 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.960 114.6 43.9 -63.3 -55.4 23.1 32.1 5.1 305 373 A L H X S+ 0 0 7 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.866 116.3 46.9 -62.2 -37.6 24.0 30.3 8.3 306 374 A F H < S+ 0 0 11 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.893 120.8 37.3 -72.0 -39.2 20.6 30.6 9.8 307 375 A E H < S+ 0 0 56 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.862 114.6 49.7 -83.1 -37.8 18.7 29.5 6.7 308 376 A I H >< S+ 0 0 12 -4,-3.1 3,-1.2 -5,-0.2 -3,-0.2 0.725 90.6 86.9 -75.3 -19.1 21.0 26.8 5.3 309 377 A N T 3< S+ 0 0 49 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.1 0.885 106.0 13.6 -46.3 -58.3 21.2 25.0 8.7 310 378 A D T 3 S+ 0 0 132 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 -0.014 99.5 123.3-114.3 32.0 18.1 22.8 8.4 311 379 A A < - 0 0 20 -3,-1.2 -3,-0.0 1,-0.1 2,-0.0 -0.689 56.3-127.4 -97.4 146.1 17.3 23.1 4.7 312 380 A D > - 0 0 96 -2,-0.3 4,-1.9 1,-0.1 3,-0.1 -0.238 39.6 -93.7 -76.8 174.6 17.0 20.3 2.2 313 381 A E H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.890 125.1 54.5 -59.0 -42.3 19.0 20.4 -1.1 314 382 A F H > S+ 0 0 161 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 110.4 47.1 -59.2 -41.6 16.2 22.1 -3.0 315 383 A T H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.851 106.2 58.9 -70.2 -33.8 16.0 24.9 -0.5 316 384 A K H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.926 105.4 47.6 -62.2 -45.2 19.8 25.3 -0.5 317 385 A Q H X S+ 0 0 79 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.847 113.6 50.5 -66.0 -29.7 20.0 26.1 -4.2 318 386 A H H X S+ 0 0 92 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.947 110.2 47.8 -70.5 -49.2 17.1 28.5 -3.7 319 387 A I H < S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.931 118.1 40.8 -56.6 -50.3 18.7 30.4 -0.7 320 388 A V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -230,-0.3 0.881 113.0 54.3 -68.5 -39.5 22.0 30.7 -2.6 321 389 A G H 3< S+ 0 0 0 -4,-2.0 -230,-2.1 -5,-0.3 -231,-0.3 0.771 104.8 54.3 -67.5 -26.9 20.5 31.6 -5.9 322 390 A K T 3< S+ 0 0 59 -4,-1.8 -1,-0.2 -233,-0.2 -2,-0.2 0.381 80.4 109.3 -89.3 2.5 18.4 34.4 -4.4 323 391 A L S < S- 0 0 2 -3,-1.2 -233,-2.8 -4,-0.2 -232,-0.3 -0.529 72.5-123.8 -70.9 149.0 21.4 36.2 -3.0 324 392 A T B > -D 89 0C 5 -235,-0.3 4,-2.0 -2,-0.1 -235,-0.2 -0.585 14.2-117.9 -91.6 160.1 22.1 39.4 -4.9 325 393 A K H > S+ 0 0 26 -237,-2.1 4,-2.9 -240,-0.5 5,-0.2 0.897 118.7 61.2 -60.2 -37.2 25.5 40.1 -6.6 326 394 A Y H > S+ 0 0 38 -240,-2.4 4,-2.4 -238,-0.3 -1,-0.2 0.927 106.0 44.2 -51.7 -50.8 25.5 43.0 -4.2 327 395 A E H > S+ 0 0 26 -241,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.860 111.7 52.1 -65.3 -39.4 25.4 40.7 -1.2 328 396 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.911 110.6 48.6 -65.3 -42.1 28.0 38.3 -2.6 329 397 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.954 112.4 49.1 -60.8 -48.2 30.4 41.2 -3.2 330 398 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -33,-0.3 0.913 112.2 48.7 -57.2 -44.2 29.7 42.4 0.4 331 399 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.938 115.9 41.2 -64.0 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9.5 342 410 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.905 112.6 50.6 -64.9 -40.2 44.7 38.5 10.5 343 411 A E H X S+ 0 0 51 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.901 109.0 52.6 -62.9 -39.9 47.7 39.0 8.2 344 412 A S H X S+ 0 0 4 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.898 106.0 53.0 -62.6 -41.6 48.1 42.5 9.9 345 413 A V H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.930 111.4 46.6 -59.3 -45.4 48.1 40.8 13.3 346 414 A N H X S+ 0 0 25 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.926 113.3 48.8 -61.6 -46.1 50.9 38.5 12.1 347 415 A M H X S+ 0 0 42 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.918 112.3 48.0 -60.0 -46.4 52.8 41.3 10.6 348 416 A F H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.821 103.6 60.8 -65.7 -32.3 52.5 43.4 13.8 349 417 A E H X S+ 0 0 129 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.891 106.8 47.4 -62.0 -37.0 53.6 40.5 16.0 350 418 A K H X S+ 0 0 149 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.849 111.1 49.6 -71.7 -36.1 56.9 40.5 14.0 351 419 A M H < S+ 0 0 59 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.894 110.3 52.2 -68.5 -38.5 57.2 44.3 14.4 352 420 A Y H >X S+ 0 0 102 -4,-2.8 4,-2.1 1,-0.2 3,-1.3 0.939 108.1 51.4 -60.2 -49.0 56.5 43.9 18.1 353 421 A G H 3X S+ 0 0 33 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.927 111.5 44.8 -55.2 -49.6 59.3 41.2 18.3 354 422 A K H 3< S+ 0 0 135 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.490 109.1 62.3 -75.6 -0.3 61.9 43.4 16.7 355 423 A R H X4 S+ 0 0 74 -3,-1.3 3,-0.8 -4,-0.4 -2,-0.2 0.921 104.8 41.2 -85.9 -55.2 60.6 46.3 18.9 356 424 A L H >< S+ 0 0 80 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.745 111.4 60.4 -64.3 -22.9 61.5 44.7 22.2 357 425 A L T 3< S+ 0 0 138 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.818 100.4 53.3 -73.6 -31.1 64.8 43.5 20.6 358 426 A E T < 0 0 162 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.301 360.0 360.0 -85.3 9.3 65.8 47.1 19.9 359 427 A R < 0 0 203 -3,-0.9 -2,-0.1 -4,-0.0 -3,-0.1 0.476 360.0 360.0-115.2 360.0 65.2 47.9 23.6