==== 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 LIGASE 04-MAY-06 2GWD . COMPND 2 MOLECULE: GLUTAMATE CYSTEINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA JUNCEA; . AUTHOR M.HOTHORN,A.WACHTER,R.GROMES,T.STUWE,T.RAUSCH,K.SCHEFFZEK . 437 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 15 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 2 0 1 1 3 3 0 0 0 1 2 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 2 2 3 4 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 . 3 0 1 0 0 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 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 79 A E 0 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.9 5.9 9.7 7.3 2 80 A P - 0 0 68 0, 0.0 283,-0.1 0, 0.0 2,-0.1 -0.180 360.0 -97.4 -67.9 156.6 9.0 11.4 6.1 3 81 A L - 0 0 25 281,-0.5 2,-0.3 4,-0.1 282,-0.0 -0.368 40.3-160.8 -65.5 147.8 10.4 14.7 7.7 4 82 A T > - 0 0 69 -2,-0.1 4,-1.7 1,-0.0 3,-0.5 -0.821 36.0-100.3-122.8 167.8 9.6 17.9 5.9 5 83 A R H > S+ 0 0 90 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.854 124.2 57.1 -50.3 -40.4 11.0 21.4 6.0 6 84 A E H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 104.2 51.8 -64.5 -37.5 8.2 22.4 8.3 7 85 A D H > S+ 0 0 46 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.869 106.0 54.3 -61.6 -39.6 9.3 19.6 10.8 8 86 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.842 109.3 48.4 -65.4 -36.0 12.8 21.0 10.7 9 87 A I H X S+ 0 0 35 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.911 110.0 51.6 -64.4 -50.2 11.5 24.4 11.7 10 88 A A H X S+ 0 0 49 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.805 103.0 60.4 -57.8 -33.1 9.4 22.9 14.5 11 89 A Y H < S+ 0 0 21 -4,-1.8 -1,-0.2 2,-0.2 4,-0.2 0.931 108.2 42.6 -63.1 -45.9 12.5 21.1 15.8 12 90 A L H >< S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.2 -2,-0.2 0.960 113.8 53.3 -62.1 -47.9 14.2 24.4 16.4 13 91 A A H >< S+ 0 0 33 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.731 93.5 71.1 -58.8 -27.5 10.9 25.8 17.8 14 92 A S T 3< S+ 0 0 75 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.554 83.1 73.1 -68.6 -11.3 10.7 22.9 20.3 15 93 A G T < + 0 0 1 -3,-2.0 158,-0.4 -4,-0.2 -1,-0.3 0.586 68.8 121.1 -72.2 -12.2 13.6 24.5 22.2 16 94 A C < + 0 0 46 -3,-1.8 2,-0.3 -4,-0.1 158,-0.3 -0.371 41.0 177.0 -63.7 125.9 11.2 27.2 23.4 17 95 A K - 0 0 66 156,-2.6 5,-0.1 -2,-0.1 158,-0.1 -0.995 32.9-106.5-135.2 141.2 11.2 27.3 27.2 18 96 A S > - 0 0 37 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.260 41.8-106.6 -59.2 149.3 9.5 29.4 30.0 19 97 A K G > S+ 0 0 125 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.802 120.9 57.0 -51.9 -37.5 11.9 31.8 31.8 20 98 A E G 3 S+ 0 0 132 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.759 106.1 51.5 -67.1 -22.7 11.8 29.6 34.9 21 99 A K G < S+ 0 0 116 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.444 82.4 119.6 -93.8 0.6 13.0 26.7 32.8 22 100 A W < - 0 0 22 -3,-1.3 2,-0.3 -4,-0.4 149,-0.1 -0.424 41.6-178.4 -67.0 139.4 16.0 28.6 31.3 23 101 A R - 0 0 74 -2,-0.1 149,-0.5 147,-0.0 2,-0.5 -0.805 26.4-119.8-133.1 174.3 19.4 27.1 32.1 24 102 A I E -AB 93 171A 0 69,-2.7 69,-2.5 -2,-0.3 2,-0.5 -0.974 21.1-171.0-122.2 115.7 23.1 27.8 31.5 25 103 A G E - B 0 170A 11 145,-2.5 145,-3.5 -2,-0.5 2,-0.5 -0.954 9.4-167.5-108.5 120.3 25.2 25.2 29.5 26 104 A T E - B 0 169A 3 -2,-0.5 64,-2.7 65,-0.4 2,-0.4 -0.932 6.2-176.5-116.2 129.8 28.9 25.9 29.6 27 105 A E E +CB 89 168A 23 141,-2.3 141,-3.3 -2,-0.5 2,-0.3 -0.977 5.3 173.2-121.3 140.1 31.5 24.2 27.3 28 106 A H E -CB 88 167A 1 60,-2.0 60,-2.1 -2,-0.4 2,-0.3 -0.989 16.2-150.0-146.4 154.6 35.2 24.7 27.3 29 107 A E E -C 87 0A 1 137,-2.0 2,-0.3 -2,-0.3 58,-0.2 -0.906 11.9-167.1-125.0 147.4 38.2 23.1 25.6 30 108 A K E -C 86 0A 0 56,-0.7 56,-3.0 -2,-0.3 2,-0.5 -0.993 21.6-123.9-138.6 141.7 41.8 22.7 26.9 31 109 A F E -I 122 0B 12 91,-1.9 91,-2.9 -2,-0.3 2,-0.3 -0.753 25.5-149.4 -84.2 122.7 45.2 21.8 25.4 32 110 A G E +I 121 0B 8 -2,-0.5 9,-2.4 89,-0.2 2,-0.3 -0.707 22.8 174.1 -88.3 143.6 46.9 18.8 27.1 33 111 A F E -IJ 120 40B 6 87,-2.8 87,-3.1 -2,-0.3 2,-0.4 -0.995 38.6-103.1-149.3 150.5 50.7 18.8 27.2 34 112 A E E > -I 119 0B 53 5,-2.7 4,-2.8 -2,-0.3 85,-0.2 -0.658 31.3-140.2 -72.6 125.6 53.6 16.8 28.6 35 113 A V T 4 S+ 0 0 74 83,-2.5 -1,-0.1 -2,-0.4 84,-0.1 0.835 96.2 43.1 -59.2 -36.0 55.0 18.9 31.5 36 114 A N T 4 S+ 0 0 158 82,-0.4 -1,-0.2 1,-0.1 83,-0.1 0.917 129.4 21.8 -80.2 -43.3 58.6 18.1 30.7 37 115 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.583 89.7-133.5-101.1 -17.0 58.7 18.5 26.9 38 116 A L < + 0 0 21 -4,-2.8 -3,-0.1 1,-0.2 91,-0.1 0.392 53.1 154.4 71.0 0.1 55.6 20.7 26.4 39 117 A R - 0 0 115 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.237 54.1 -95.5 -58.5 144.9 54.6 18.2 23.6 40 118 A P B -J 33 0B 13 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.313 48.2 -98.4 -65.9 138.1 50.9 18.0 22.8 41 119 A M - 0 0 6 -9,-2.4 -9,-0.1 79,-0.1 2,-0.1 -0.327 41.2-135.2 -62.8 134.9 49.2 15.1 24.6 42 120 A K > - 0 0 123 -3,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.441 21.7-104.9 -90.8 166.0 48.8 12.0 22.4 43 121 A Y H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 118.8 57.0 -60.2 -39.3 45.7 9.8 21.9 44 122 A D H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 110.7 44.1 -60.4 -40.9 47.2 7.0 24.0 45 123 A Q H > S+ 0 0 32 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 112.1 53.6 -66.5 -44.2 47.7 9.4 27.0 46 124 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.911 107.1 51.0 -57.1 -42.0 44.2 10.8 26.4 47 125 A A H X S+ 0 0 15 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.891 110.2 49.0 -66.4 -40.4 42.6 7.3 26.5 48 126 A E H X S+ 0 0 105 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.949 111.4 50.5 -60.6 -50.3 44.4 6.6 29.8 49 127 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.951 113.6 44.4 -50.5 -54.8 43.1 10.0 31.2 50 128 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.933 114.4 49.0 -57.4 -49.6 39.5 9.2 30.1 51 129 A N H X S+ 0 0 57 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.852 112.8 47.6 -58.0 -41.3 39.6 5.6 31.4 52 130 A S H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.910 111.4 49.2 -70.4 -45.4 41.0 6.7 34.8 53 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.863 111.1 52.8 -58.1 -37.7 38.5 9.5 35.2 54 132 A A H X>S+ 0 0 7 -4,-2.0 5,-1.4 -5,-0.2 4,-0.7 0.895 114.9 39.3 -66.0 -45.0 35.7 7.1 34.4 55 133 A E H <5S+ 0 0 163 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.900 121.5 41.5 -72.4 -45.8 36.8 4.6 37.0 56 134 A R H <5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.874 128.4 26.5 -70.8 -38.7 37.7 7.0 39.8 57 135 A F H <5S- 0 0 46 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.155 108.9-108.1-120.4 13.3 34.8 9.4 39.4 58 136 A E T <5 + 0 0 166 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.955 56.4 157.6 60.2 64.1 32.1 7.2 37.9 59 137 A W < - 0 0 16 -5,-1.4 2,-0.3 -6,-0.1 14,-0.2 -0.884 41.3-120.0-111.0 148.9 31.6 8.3 34.3 60 138 A E E -D 72 0A 124 12,-3.2 12,-2.4 -2,-0.3 2,-0.3 -0.690 33.5-117.1 -83.1 137.4 30.2 6.2 31.5 61 139 A K E -D 71 0A 112 -2,-0.3 2,-0.5 10,-0.2 10,-0.3 -0.583 16.9-151.1 -80.1 136.9 32.6 5.6 28.6 62 140 A V E -D 70 0A 47 8,-2.7 7,-2.4 -2,-0.3 8,-1.3 -0.955 23.2-166.1-107.2 125.2 31.8 6.8 25.1 63 141 A M E -D 68 0A 93 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.803 30.3-168.6-114.8 148.7 33.3 4.6 22.4 64 142 A E E > S-D 67 0A 57 3,-2.8 3,-1.8 -2,-0.3 2,-0.1 -0.923 82.9 -46.9-126.1 104.7 34.0 4.7 18.7 65 143 A G T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 193,-0.0 -0.446 120.8 -27.8 64.5-140.2 34.9 1.1 18.0 66 144 A D T 3 S+ 0 0 141 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.388 120.4 103.5 -80.4 2.8 37.4 -0.1 20.6 67 145 A K E < -D 64 0A 80 -3,-1.8 -3,-2.8 72,-0.1 2,-0.4 -0.784 68.0-141.4 -93.9 121.2 38.6 3.5 21.0 68 146 A I E +D 63 0A 8 -2,-0.6 -5,-0.2 -5,-0.2 -18,-0.1 -0.683 30.8 163.1 -74.6 126.9 37.4 5.5 24.0 69 147 A I E - 0 0 18 -7,-2.4 11,-0.4 -2,-0.4 2,-0.3 0.365 57.4 -6.9-126.3 -3.2 36.7 9.1 22.8 70 148 A G E -D 62 0A 2 -8,-1.3 -8,-2.7 9,-0.2 2,-0.3 -0.982 55.7-122.0-175.2-180.0 34.6 10.6 25.6 71 149 A L E -DE 61 78A 0 7,-2.2 7,-2.7 -2,-0.3 2,-0.4 -0.972 13.4-155.1-142.6 152.9 32.7 10.2 28.9 72 150 A K E +DE 60 77A 89 -12,-2.4 -12,-3.2 -2,-0.3 2,-0.3 -0.993 15.0 168.7-130.4 139.0 29.1 10.8 30.1 73 151 A Q E > - E 0 76A 63 3,-2.4 3,-2.6 -2,-0.4 2,-0.1 -0.828 68.4 -56.6-150.2 110.2 27.7 11.5 33.6 74 152 A G T 3 S- 0 0 68 -2,-0.3 -1,-0.2 1,-0.3 -15,-0.0 -0.372 122.2 -17.1 49.8-123.2 24.1 12.6 33.8 75 153 A K T 3 S+ 0 0 161 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.383 119.9 94.8 -93.3 5.2 23.9 15.7 31.6 76 154 A Q E < -E 73 0A 29 -3,-2.6 -3,-2.4 15,-0.1 2,-0.3 -0.706 52.3-172.9 -91.9 151.4 27.6 16.3 31.5 77 155 A S E -EF 72 89A 42 12,-2.3 12,-3.2 -2,-0.3 2,-0.4 -0.993 14.3-155.5-140.5 141.2 29.8 15.0 28.7 78 156 A I E +EF 71 88A 2 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.3 -0.963 29.9 163.4-112.9 137.8 33.6 15.0 28.2 79 157 A S E - F 0 87A 29 8,-2.3 8,-2.7 -2,-0.4 2,-0.5 -0.862 32.9-112.1-148.9 175.9 34.7 14.8 24.6 80 158 A L E - F 0 86A 0 -11,-0.4 6,-0.2 -2,-0.3 5,-0.1 -0.981 15.4-146.9-124.7 125.3 37.7 15.4 22.3 81 159 A E > - 0 0 19 4,-2.5 3,-2.3 -2,-0.5 57,-0.1 -0.371 47.9 -86.5 -76.8 166.7 38.1 18.0 19.6 82 160 A P T 3 S+ 0 0 2 0, 0.0 56,-2.5 0, 0.0 80,-0.2 0.717 128.0 43.3 -55.5 -31.8 40.2 16.8 16.5 83 161 A G T 3 S- 0 0 10 78,-1.0 54,-0.1 54,-0.2 3,-0.1 0.048 129.0 -90.8 -99.3 22.2 43.6 17.6 17.8 84 162 A G < + 0 0 5 -3,-2.3 -52,-0.2 1,-0.3 -54,-0.1 0.472 65.6 166.9 85.4 2.9 42.9 16.2 21.2 85 163 A Q - 0 0 1 1,-0.1 -4,-2.5 79,-0.1 2,-0.7 -0.305 38.0-126.7 -54.3 134.1 41.6 19.4 22.8 86 164 A F E -CF 30 80A 0 -56,-3.0 -56,-0.7 -6,-0.2 2,-0.4 -0.801 31.3-164.4-104.0 107.4 39.9 18.1 26.0 87 165 A E E -CF 29 79A 10 -8,-2.7 -8,-2.3 -2,-0.7 2,-0.5 -0.765 20.6-165.2-104.8 135.8 36.4 19.3 26.4 88 166 A L E -CF 28 78A 1 -60,-2.1 -60,-2.0 -2,-0.4 2,-0.6 -0.973 5.6-168.5-106.2 126.5 33.8 19.5 29.1 89 167 A S E -CF 27 77A 22 -12,-3.2 -12,-2.3 -2,-0.5 -62,-0.2 -0.973 26.1-148.3-109.0 107.7 30.2 20.1 28.0 90 168 A G - 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0 0 30 -7,-2.4 -6,-0.1 2,-0.3 3,-0.1 0.366 43.2-102.7-102.1 3.4 51.5 36.1 15.2 209 287 A G S S+ 0 0 60 -8,-0.4 2,-0.3 1,-0.3 -7,-0.1 0.439 91.3 92.6 90.7 3.1 50.3 39.8 14.8 210 288 A F - 0 0 36 -9,-0.3 -1,-0.3 1,-0.1 -2,-0.3 -0.760 62.8-151.9-123.7 164.7 46.9 39.1 16.4 211 289 A L S S+ 0 0 11 148,-3.7 -11,-2.4 -2,-0.3 2,-0.4 0.730 104.7 25.7 -98.9 -43.3 45.2 39.2 19.8 212 290 A S B > +m 200 0D 0 147,-1.8 4,-2.2 -14,-0.2 -1,-0.2 -0.751 62.4 163.8-118.9 85.2 42.8 36.4 18.8 213 291 A M H > S+ 0 0 22 -13,-1.9 4,-3.0 -2,-0.4 5,-0.2 0.862 81.0 62.2 -55.8 -38.2 44.3 34.3 16.1 214 292 A R H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.948 105.4 43.6 -52.7 -52.5 41.6 31.8 17.0 215 293 A S H 4 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.902 112.9 53.2 -63.7 -40.8 38.9 34.3 16.0 216 294 A H H >< S+ 0 0 57 -4,-2.2 3,-2.3 1,-0.2 4,-0.3 0.909 102.3 58.9 -55.9 -46.2 40.9 35.2 12.9 217 295 A I H >< S+ 0 0 1 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.868 96.5 62.0 -53.9 -37.2 41.1 31.4 12.0 218 296 A W T 3< S+ 0 0 6 -4,-1.3 4,-0.3 -3,-0.3 3,-0.3 0.531 93.6 64.7 -68.9 -7.0 37.3 31.3 11.9 219 297 A T T < S+ 0 0 54 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.430 111.8 33.3 -93.8 -1.6 37.3 33.9 9.0 220 298 A D S < S+ 0 0 59 -3,-1.9 -64,-2.1 -4,-0.3 -63,-0.6 -0.033 93.4 90.0-139.8 40.9 39.1 31.4 6.7 221 299 A T S S- 0 0 0 -3,-0.3 -64,-0.3 -65,-0.2 2,-0.2 0.868 108.9 -32.8 -93.5 -50.4 37.7 28.1 7.8 222 300 A D > - 0 0 3 -4,-0.3 3,-1.2 75,-0.1 -1,-0.2 -0.689 44.4-152.0-177.8 115.6 34.7 27.9 5.5 223 301 A K G > S+ 0 0 174 -70,-0.5 3,-0.7 1,-0.2 -69,-0.1 0.775 93.1 66.9 -66.9 -29.1 32.5 30.8 4.2 224 302 A D G 3 S+ 0 0 66 1,-0.2 -1,-0.2 -71,-0.1 24,-0.0 0.662 114.9 24.8 -62.6 -18.6 29.4 28.5 3.8 225 303 A R G < S+ 0 0 0 -3,-1.2 72,-2.4 72,-0.1 2,-0.2 0.124 109.7 67.7-142.3 25.8 29.1 28.0 7.6 226 304 A T < + 0 0 23 -3,-0.7 3,-0.3 -4,-0.1 2,-0.1 -0.814 60.6 47.2-137.9 169.7 30.7 30.9 9.5 227 305 A G S S- 0 0 14 70,-0.5 72,-2.3 -2,-0.2 73,-0.4 -0.446 87.8 -36.7 104.7-160.8 30.4 34.6 10.3 228 306 A M - 0 0 7 70,-0.2 -1,-0.2 -2,-0.1 4,-0.1 0.371 60.6-140.7 -97.6 -1.4 28.1 37.3 11.4 229 307 A L > - 0 0 10 -3,-0.3 3,-1.9 1,-0.1 4,-0.3 0.872 16.9-169.1 45.8 65.4 24.9 36.2 9.6 230 308 A P G > S+ 0 0 76 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.786 78.8 70.0 -56.2 -29.4 23.6 39.6 8.4 231 309 A F G > S+ 0 0 49 1,-0.3 3,-1.6 2,-0.2 6,-0.2 0.715 82.2 74.4 -62.9 -20.1 20.2 38.0 7.4 232 310 A V G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -48,-0.1 0.834 94.5 52.2 -60.4 -32.0 19.5 37.5 11.1 233 311 A F G < S+ 0 0 46 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.413 86.2 107.6 -85.8 -1.2 18.9 41.3 11.2 234 312 A D S X S- 0 0 86 -3,-1.6 3,-1.8 -4,-0.2 -3,-0.0 -0.521 80.8-121.4 -71.4 149.7 16.4 41.2 8.2 235 313 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.730 111.9 62.1 -64.8 -24.4 12.8 41.7 9.2 236 314 A S T 3 S+ 0 0 71 -5,-0.1 5,-0.3 2,-0.0 -1,-0.3 0.598 78.7 125.4 -71.9 -14.1 12.0 38.3 7.7 237 315 A F < + 0 0 8 -3,-1.8 2,-0.3 -6,-0.2 -57,-0.1 -0.128 27.2 112.6 -62.8 144.4 14.2 36.5 10.2 238 316 A G S > S- 0 0 1 1,-0.1 4,-2.0 -59,-0.1 5,-0.2 -0.951 82.2 -58.7 175.7-176.1 12.8 33.7 12.3 239 317 A F H > S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.901 130.3 55.6 -54.5 -43.2 13.1 30.0 12.8 240 318 A E H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 106.9 47.6 -56.7 -49.1 12.1 29.4 9.2 241 319 A Q H > S+ 0 0 50 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.872 109.7 52.9 -66.2 -38.0 14.9 31.6 7.7 242 320 A Y H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.929 108.3 52.0 -63.1 -40.8 17.5 29.9 9.9 243 321 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 108.2 50.4 -58.9 -46.2 16.3 26.5 8.6 244 322 A D H X S+ 0 0 44 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.889 111.0 49.8 -59.0 -40.3 16.7 27.7 5.0 245 323 A Y H >X S+ 0 0 33 -4,-2.1 4,-0.9 2,-0.2 3,-0.5 0.963 112.2 46.7 -57.5 -56.3 20.2 28.9 5.8 246 324 A A H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 22,-0.2 0.848 108.2 55.4 -58.1 -38.7 21.1 25.6 7.4 247 325 A L H 3< S+ 0 0 3 -4,-2.7 22,-0.5 1,-0.2 21,-0.5 0.851 107.0 52.2 -63.3 -34.1 19.6 23.7 4.4 248 326 A D H << S+ 0 0 105 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.685 89.7 92.9 -71.6 -22.5 21.9 25.8 2.1 249 327 A V S << S- 0 0 1 -4,-0.9 19,-0.4 -3,-0.5 -24,-0.1 -0.645 86.5-117.7 -76.9 121.9 25.0 24.8 4.2 250 328 A P - 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0 0 41 -2,-0.3 4,-1.7 -17,-0.2 3,-0.2 -0.834 19.4-125.8-122.8 156.1 22.9 18.9 1.0 268 346 A F H > S+ 0 0 1 -21,-0.5 4,-3.0 -19,-0.4 5,-0.1 0.710 111.7 65.0 -69.0 -23.4 20.2 18.1 3.6 269 347 A R H > S+ 0 0 104 -22,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.892 102.7 47.4 -64.0 -42.1 17.7 19.0 0.9 270 348 A Q H 4>S+ 0 0 67 -3,-0.2 5,-2.9 2,-0.2 4,-0.4 0.951 111.7 50.7 -57.4 -52.1 19.0 15.9 -1.0 271 349 A F H ><5S+ 0 0 2 -4,-1.7 3,-2.1 4,-0.3 5,-0.2 0.930 106.8 54.2 -50.5 -52.8 18.7 13.9 2.3 272 350 A L H 3<5S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.6 47.8 -49.2 -41.1 15.1 15.1 2.8 273 351 A A T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.434 117.3-114.1 -82.6 -1.8 14.2 13.8 -0.7 274 352 A G T < 5S+ 0 0 11 -3,-2.1 7,-1.9 -4,-0.4 -3,-0.2 0.753 87.3 116.0 75.8 26.1 15.9 10.5 -0.0 275 353 A K < + 0 0 157 -5,-2.9 -4,-0.3 5,-0.2 -3,-0.1 -0.124 24.5 140.6-128.3 32.4 18.5 11.4 -2.7 276 354 A L > - 0 0 0 6,-0.4 3,-1.9 3,-0.4 6,-0.2 -0.706 45.4-147.3 -71.2 115.5 21.8 11.7 -0.8 277 355 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -14,-0.0 0.813 99.1 54.9 -56.8 -31.7 24.4 10.1 -3.1 278 356 A b T 3 S+ 0 0 26 1,-0.2 -16,-0.1 -17,-0.1 -24,-0.1 0.644 126.3 21.6 -71.2 -17.2 26.4 8.9 -0.1 279 357 A L S X S- 0 0 23 -3,-1.9 3,-2.6 3,-0.1 -3,-0.4 -0.315 85.8-154.9-148.6 60.3 23.2 7.1 1.2 280 358 A P T 3 S+ 0 0 109 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.036 78.4 3.7 -54.1 129.7 20.8 6.5 -1.7 281 359 A G T 3 S+ 0 0 55 -7,-1.9 2,-0.2 1,-0.3 -6,-0.1 0.249 92.5 133.4 82.7 -12.8 17.2 6.2 -0.5 282 360 A E < - 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0 0 0 -3,-0.8 -70,-0.1 -4,-0.1 -71,-0.1 -0.876 55.2-173.6-104.2 133.0 27.3 25.0 11.3 297 375 A F + 0 0 10 -72,-2.4 -70,-0.5 -2,-0.4 -72,-0.1 -0.352 18.7 149.6-131.2 55.8 29.7 27.3 13.0 298 376 A P - 0 0 1 0, 0.0 -70,-0.2 0, 0.0 3,-0.2 -0.158 64.9 -95.7 -77.6-177.4 28.6 31.0 13.0 299 377 A E S S+ 0 0 5 -72,-2.3 10,-2.3 1,-0.3 2,-0.4 0.801 121.7 24.2 -70.3 -28.1 29.5 33.5 15.7 300 378 A V E S-H 308 0A 0 -73,-0.4 2,-0.4 8,-0.2 -1,-0.3 -0.990 85.0-158.2-130.6 131.5 26.2 32.6 17.3 301 379 A R E -H 307 0A 10 6,-1.8 6,-2.6 -2,-0.4 2,-0.5 -0.898 2.4-149.0-113.2 142.4 24.7 29.3 16.5 302 380 A L E +H 306 0A 0 -2,-0.4 4,-0.2 4,-0.2 2,-0.2 -0.937 36.9 128.8-111.5 130.7 21.0 28.3 16.7 303 381 A K S S- 0 0 9 2,-2.4 -288,-0.2 -2,-0.5 -13,-0.0 -0.316 90.9 -44.1-131.7-131.5 19.7 24.8 17.5 304 382 A R S S+ 0 0 103 -2,-0.2 -131,-0.3 -290,-0.1 2,-0.3 0.527 138.9 27.6 -76.9 -8.4 17.1 24.1 20.3 305 383 A Y S S- 0 0 61 -133,-0.1 -2,-2.4 -289,-0.0 2,-0.4 -0.880 92.9-106.0-138.5 174.6 19.3 26.5 22.3 306 384 A M E -GH 171 302A 3 -135,-3.4 -135,-3.0 -2,-0.3 2,-0.5 -0.898 25.8-153.4-112.4 136.6 21.6 29.4 21.4 307 385 A E E -GH 170 301A 0 -6,-2.6 -6,-1.8 -2,-0.4 2,-0.7 -0.918 9.9-149.2-114.9 128.5 25.4 29.3 21.5 308 386 A M E +GH 169 300A 1 -139,-2.6 -139,-0.8 -2,-0.5 3,-0.3 -0.843 23.7 174.0 -93.6 111.7 27.7 32.2 22.0 309 387 A R E + 0 0 11 -10,-2.3 -9,-0.1 -2,-0.7 -1,-0.1 -0.045 44.1 98.4-113.6 27.4 30.7 31.0 20.0 310 388 A G E + 0 0 1 -11,-0.1 2,-0.3 -143,-0.1 -1,-0.2 0.607 57.2 89.2 -99.4 -17.8 32.9 34.0 20.2 311 389 A A E -G 167 0A 0 -144,-0.6 -144,-1.3 -3,-0.3 2,-0.2 -0.635 63.3-123.4-115.8 141.0 35.5 33.6 22.9 312 390 A D E -G 166 0A 0 -118,-0.3 -146,-0.3 -2,-0.3 -187,-0.2 -0.478 39.6 -99.3 -72.2 146.5 39.0 32.1 23.4 313 391 A G + 0 0 0 -148,-2.6 -188,-0.3 -189,-0.3 -146,-0.1 -0.235 56.3 161.2 -55.7 149.2 39.8 29.4 25.9 314 392 A G - 0 0 1 -190,-0.2 -190,-0.2 -285,-0.2 5,-0.1 -0.947 37.3 -52.5-163.4 178.6 41.3 30.7 29.1 315 393 A P >> - 0 0 37 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.101 65.9 -89.9 -66.9 169.8 42.1 30.2 32.7 316 394 A W H 3> S+ 0 0 110 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.793 122.7 56.0 -60.2 -37.5 39.4 29.1 35.2 317 395 A R H 3> S+ 0 0 162 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.855 110.9 46.6 -64.8 -31.4 38.2 32.5 36.3 318 396 A R H <> S+ 0 0 29 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.769 104.5 60.6 -79.1 -23.7 37.5 33.4 32.6 319 397 A L H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.8 39.9 -66.4 -35.7 35.8 30.0 32.1 320 398 A a H X S+ 0 0 2 -4,-1.7 4,-1.0 1,-0.1 -2,-0.2 0.765 114.4 55.1 -80.6 -27.0 33.3 31.1 34.8 321 399 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.2 -2,-0.2 0.844 96.9 63.1 -73.4 -40.0 33.2 34.7 33.5 322 400 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 5,-0.2 0.962 107.5 40.4 -52.4 -59.6 32.2 33.9 29.9 323 401 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.879 114.6 55.3 -58.4 -33.8 28.8 32.4 30.7 324 402 A A H X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.880 102.7 56.2 -65.8 -40.9 28.3 35.2 33.3 325 403 A F H X S+ 0 0 1 -4,-2.7 4,-1.4 -3,-0.2 -1,-0.2 0.950 114.5 37.6 -51.3 -53.5 28.8 37.9 30.7 326 404 A W H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.4 0.858 111.9 57.2 -76.7 -36.7 26.0 36.5 28.5 327 405 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.964 108.8 47.5 -56.0 -51.6 23.7 35.5 31.2 328 406 A G H < S+ 0 0 0 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.850 117.7 42.4 -59.1 -36.9 23.7 39.1 32.5 329 407 A L H < S+ 0 0 0 -4,-1.4 10,-0.2 -5,-0.2 -1,-0.2 0.822 128.3 24.4 -78.1 -32.3 23.1 40.5 29.0 330 408 A L H < S+ 0 0 3 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.649 112.6 59.2-114.1 -19.4 20.5 38.0 27.7 331 409 A Y S < S+ 0 0 3 -4,-2.5 2,-0.5 -5,-0.4 -3,-0.1 0.373 92.5 72.5 -99.0 0.6 18.6 36.6 30.7 332 410 A D S > S- 0 0 17 -5,-0.3 4,-2.5 -4,-0.2 5,-0.1 -0.986 75.3-147.6-110.2 125.9 17.4 39.9 32.1 333 411 A E H > S+ 0 0 85 -2,-0.5 4,-1.7 2,-0.2 -1,-0.1 0.837 95.5 47.1 -64.9 -33.3 14.6 41.2 29.8 334 412 A D H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 113.1 47.8 -74.4 -46.5 15.4 44.9 30.4 335 413 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 107.7 57.0 -59.3 -44.1 19.1 44.5 29.8 336 414 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.948 109.8 45.1 -51.0 -49.0 18.3 42.5 26.7 337 415 A Q H X S+ 0 0 65 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.890 108.5 56.9 -61.3 -41.9 16.3 45.5 25.4 338 416 A S H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.875 106.5 49.7 -56.3 -38.2 19.2 47.8 26.5 339 417 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -10,-0.2 -1,-0.2 0.911 111.0 49.9 -66.7 -42.8 21.6 45.8 24.3 340 418 A L H < S+ 0 0 27 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.882 113.2 45.4 -61.7 -42.0 19.2 46.1 21.4 341 419 A D H >< S+ 0 0 100 -4,-2.6 3,-0.8 2,-0.2 4,-0.3 0.898 112.2 52.4 -67.2 -41.7 18.8 49.9 21.8 342 420 A L H 3< S+ 0 0 51 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.895 121.1 31.7 -59.8 -41.0 22.6 50.3 22.2 343 421 A T T >< S+ 0 0 10 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.240 87.5 111.2-104.3 12.2 23.3 48.4 19.0 344 422 A A T < S+ 0 0 78 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.834 82.0 39.1 -62.2 -41.5 20.1 49.4 17.0 345 423 A D T 3 S+ 0 0 104 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.244 83.0 125.8 -98.4 15.6 21.8 51.6 14.4 346 424 A W < - 0 0 13 -3,-1.5 -3,-0.0 4,-0.1 -158,-0.0 -0.593 56.1-135.8 -71.0 129.0 24.8 49.4 13.9 347 425 A T > - 0 0 60 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.432 18.5-111.8 -84.0 157.3 25.1 48.7 10.2 348 426 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.896 121.5 50.7 -50.7 -42.9 25.9 45.2 8.7 349 427 A A H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.866 108.8 50.9 -63.0 -39.5 29.3 46.7 7.5 350 428 A E H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 112.2 45.9 -65.6 -47.1 30.0 48.0 11.0 351 429 A R H X S+ 0 0 15 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 114.1 48.9 -58.6 -45.8 29.3 44.6 12.6 352 430 A E H X S+ 0 0 81 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.944 111.8 50.1 -60.9 -46.6 31.4 42.9 9.9 353 431 A M H X S+ 0 0 51 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.921 109.6 49.2 -55.1 -53.5 34.2 45.3 10.5 354 432 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.930 111.4 50.7 -53.1 -49.0 34.2 44.8 14.3 355 433 A R H < S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.6 41.2 -57.1 -39.6 34.3 41.0 13.8 356 434 A N H < S+ 0 0 65 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.821 120.7 39.4 -81.4 -31.8 37.2 41.4 11.4 357 435 A K H >X S+ 0 0 108 -4,-3.0 4,-2.5 -5,-0.2 3,-1.6 0.790 97.8 73.1 -92.5 -28.0 39.3 44.0 13.3 358 436 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.1 0.870 90.5 60.6 -55.0 -43.5 38.8 42.9 16.9 359 437 A P H 34 S+ 0 0 1 0, 0.0 -148,-3.7 0, 0.0 -147,-1.8 0.765 114.9 36.3 -54.1 -26.1 41.1 39.8 16.4 360 438 A V H <4 S+ 0 0 67 -3,-1.6 -2,-0.2 -150,-0.3 -3,-0.1 0.913 137.4 13.2 -89.3 -52.6 43.9 42.3 15.5 361 439 A T H >< S- 0 0 52 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.408 79.0-168.2-114.1 -3.3 43.3 45.3 17.9 362 440 A G G >< S- 0 0 0 -4,-2.9 3,-1.4 -5,-0.4 -1,-0.2 -0.207 75.6 -4.7 56.5-127.5 40.7 44.0 20.5 363 441 A L G 3 S+ 0 0 0 1,-0.3 10,-2.3 -168,-0.3 -1,-0.3 0.609 130.6 66.4 -79.4 -12.4 39.3 46.9 22.6 364 442 A K G < S+ 0 0 91 -3,-2.1 -1,-0.3 8,-0.2 -2,-0.2 0.447 72.7 122.3 -83.9 -1.8 41.6 49.4 20.9 365 443 A T S < S- 0 0 0 -3,-1.4 7,-2.6 -4,-0.3 8,-0.2 -0.456 71.7-115.3 -56.0 122.7 39.7 48.7 17.7 366 444 A P E +P 371 0G 78 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.321 37.2 178.4 -59.3 142.1 38.3 52.1 16.5 367 445 A F E > -P 370 0G 17 3,-2.9 3,-1.6 1,-0.1 2,-0.1 -0.819 54.0 -56.0-149.9 109.1 34.6 52.4 16.4 368 446 A R T 3 S- 0 0 116 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 -0.351 121.4 -9.2 61.0-123.9 32.9 55.6 15.4 369 447 A D T 3 S+ 0 0 177 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.296 137.2 13.5 -91.3 12.8 34.1 58.6 17.5 370 448 A G E < S-P 367 0G 26 -3,-1.6 -3,-2.9 -5,-0.0 2,-0.3 -0.672 91.2 -65.2-154.7-155.6 36.0 56.4 19.9 371 449 A L E >> -P 366 0G 55 -5,-0.3 3,-1.4 -2,-0.2 4,-0.8 -0.741 42.4-108.9-108.9 163.1 37.3 52.9 20.6 372 450 A L H >> S+ 0 0 0 -7,-2.6 4,-2.6 -2,-0.3 3,-0.5 0.829 114.4 74.5 -57.7 -31.1 35.6 49.6 21.2 373 451 A K H 3> S+ 0 0 58 -10,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.830 91.8 53.6 -44.2 -43.6 36.7 50.0 24.8 374 452 A H H <> S+ 0 0 80 -3,-1.4 4,-1.3 -11,-0.2 -1,-0.2 0.880 109.4 46.3 -68.6 -36.0 34.0 52.7 25.3 375 453 A V H S+ 0 0 0 -4,-2.0 5,-0.6 2,-0.2 4,-0.6 0.921 112.3 50.7 -62.6 -44.1 23.4 39.5 37.2 388 466 A E H ><5S+ 0 0 135 -4,-2.7 3,-1.7 1,-0.2 5,-0.3 0.960 109.5 50.3 -57.2 -51.0 22.5 41.9 40.0 389 467 A R H 3<5S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 96.1 69.7 -61.9 -30.0 18.8 41.7 39.0 390 468 A R H 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.713 97.5-139.6 -58.2 -24.1 18.8 37.9 38.9 391 469 A G T <<5S+ 0 0 46 -3,-1.7 -3,-0.1 -4,-0.6 -2,-0.1 0.596 72.6 108.5 75.4 14.1 19.1 38.0 42.7 392 470 A Y S + 0 0 1 -7,-0.5 3,-1.7 1,-0.2 4,-0.2 0.457 33.3 98.7 -93.3 -2.5 26.5 36.2 40.6 395 473 A V G > + 0 0 55 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.791 66.7 71.9 -65.1 -28.1 28.1 39.6 39.7 396 474 A G G > S+ 0 0 39 -3,-0.3 3,-2.0 1,-0.3 4,-0.4 0.740 82.0 75.8 -57.4 -21.4 31.6 38.7 41.1 397 475 A F G < S+ 0 0 41 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.670 89.2 57.4 -66.2 -15.1 32.0 36.4 38.1 398 476 A L G X> S+ 0 0 0 -3,-2.2 3,-1.4 -4,-0.2 4,-0.9 0.363 78.3 92.9 -93.4 5.3 32.6 39.4 36.0 399 477 A N H X> S+ 0 0 111 -3,-2.0 3,-1.0 1,-0.3 4,-0.8 0.915 77.3 63.6 -59.4 -39.3 35.5 40.5 38.2 400 478 A A H 34 S+ 0 0 36 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.541 112.7 32.8 -67.9 -9.3 37.8 38.6 35.8 401 479 A V H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.1 -1,-0.3 0.404 95.2 86.7-122.1 -0.8 36.9 41.0 32.9 402 480 A T H >S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 5,-0.8 0.940 112.7 41.7 -57.1 -50.5 40.3 44.3 30.9 405 483 A V H <5S+ 0 0 5 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.922 114.1 52.9 -64.9 -44.9 37.4 46.7 30.1 406 484 A R H <5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 121.2 29.6 -55.0 -49.8 38.8 49.4 32.5 407 485 A T H <5S- 0 0 50 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.648 98.4-129.7 -89.9 -17.4 42.3 49.4 31.0 408 486 A G T <5 + 0 0 2 -4,-1.8 2,-0.5 -5,-0.3 -45,-0.2 0.697 66.7 130.9 70.8 21.4 41.3 48.5 27.5 409 487 A V < - 0 0 41 -5,-0.8 -1,-0.2 -6,-0.4 -2,-0.2 -0.931 48.5-145.3-114.3 116.7 44.0 45.8 27.6 410 488 A T > - 0 0 0 -2,-0.5 4,-1.8 -3,-0.1 5,-0.1 -0.273 26.6-110.9 -74.0 161.3 43.1 42.2 26.6 411 489 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -212,-0.2 0.903 120.8 57.7 -55.0 -42.9 44.5 39.1 28.1 412 490 A A H > S+ 0 0 0 -214,-2.3 4,-2.2 1,-0.2 5,-0.1 0.892 104.4 51.6 -53.9 -42.2 46.4 38.4 24.9 413 491 A E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 106.9 52.5 -65.0 -41.4 48.1 41.8 25.3 414 492 A N H X S+ 0 0 67 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.878 109.3 50.4 -58.1 -42.3 49.1 40.9 28.9 415 493 A L H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.909 108.9 51.4 -60.4 -44.6 50.7 37.7 27.5 416 494 A L H X S+ 0 0 38 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.866 106.9 54.3 -62.2 -37.1 52.6 39.7 24.9 417 495 A E H X S+ 0 0 140 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.902 111.6 44.0 -63.5 -41.6 53.9 42.0 27.6 418 496 A M H <>S+ 0 0 20 -4,-1.7 5,-2.6 2,-0.2 6,-0.3 0.937 109.9 56.1 -66.8 -47.9 55.3 39.0 29.5 419 497 A Y H <5S+ 0 0 8 -4,-3.0 6,-2.7 1,-0.2 7,-0.3 0.899 114.2 40.3 -49.1 -45.1 56.7 37.5 26.3 420 498 A N H <5S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.799 128.2 28.2 -81.5 -28.1 58.6 40.6 25.6 421 499 A G T ><5S+ 0 0 51 -4,-1.8 3,-1.5 -5,-0.2 -3,-0.2 0.711 130.9 9.9 -91.8 -96.6 59.7 41.3 29.2 422 500 A E T 3 5S+ 0 0 155 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.676 120.3 59.9 -66.5 -29.8 60.1 38.5 31.6 423 501 A W T > S+ 0 0 0 -2,-0.3 3,-1.6 -222,-0.2 4,-0.4 0.479 76.1 97.3 -87.8 -5.3 56.3 31.3 24.7 428 506 A D T > S+ 0 0 61 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.881 75.3 59.0 -57.4 -38.8 57.4 28.3 26.9 429 507 A P T >> S+ 0 0 31 0, 0.0 4,-3.0 0, 0.0 3,-1.6 0.754 88.0 75.0 -64.1 -18.0 56.5 30.1 30.2 430 508 A V H <> S+ 0 0 0 -3,-1.6 4,-2.9 1,-0.3 -2,-0.2 0.774 85.4 65.7 -59.4 -26.1 52.9 30.4 29.1 431 509 A F H <4 S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.4 -310,-0.1 0.710 112.0 33.2 -71.7 -21.2 52.6 26.7 29.9 432 510 A Q H X4 S+ 0 0 160 -3,-1.6 3,-1.4 -4,-0.3 -2,-0.2 0.802 117.6 54.1 -91.5 -44.2 53.2 27.6 33.5 433 511 A E H 3< S+ 0 0 106 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.909 121.6 29.4 -56.0 -47.2 51.4 31.0 33.4 434 512 A L T 3< S+ 0 0 16 -4,-2.9 -311,-2.1 -5,-0.2 2,-0.3 -0.011 87.0 136.0-107.5 30.4 48.1 29.5 32.0 435 513 A L B < K 122 0B 83 -3,-1.4 -313,-0.2 -313,-0.2 -3,-0.1 -0.579 360.0 360.0 -75.3 131.9 48.4 26.0 33.6 436 514 A Y 0 0 32 -315,-2.3 -315,-0.3 -2,-0.3 -1,-0.1 -0.513 360.0 360.0 -69.1 360.0 45.1 24.8 35.0 437 ! 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 0.0 438 521 A E 0 0 20 0, 0.0 -273,-0.2 0, 0.0 -271,-0.1 0.000 360.0 360.0 360.0 360.0 36.9 25.5 18.4