==== 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 AMINOTRANSFERASE 10-SEP-93 1MAQ . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.5 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 . 2 0.5 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 . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 2 1 2 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 3 A S 0 0 163 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 84.2 49.7 32.5 8.6 2 4 A S > - 0 0 100 1,-0.0 3,-0.7 0, 0.0 4,-0.2 -0.061 360.0 -79.3 -90.1-167.8 47.1 29.9 9.5 3 5 A W T 3 S+ 0 0 208 1,-0.2 3,-0.3 2,-0.1 4,-0.0 0.835 124.7 34.6 -67.3 -39.0 44.8 29.7 12.5 4 6 A W T > S+ 0 0 187 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.035 74.2 115.2-110.8 28.3 47.3 28.5 15.0 5 7 A S T < S+ 0 0 79 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.829 82.2 49.6 -65.0 -26.8 50.5 30.1 14.0 6 8 A H T 3 S+ 0 0 138 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.2 0.564 80.0 109.8 -87.4 -15.8 50.5 32.0 17.3 7 9 A V < - 0 0 91 -3,-0.7 2,-0.2 1,-0.1 -3,-0.0 -0.507 62.0-142.6 -67.1 128.1 49.8 29.2 19.7 8 10 A E - 0 0 177 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.594 20.5 -96.2 -96.1 158.1 53.0 28.5 21.7 9 11 A M - 0 0 181 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 -0.540 44.7-154.4 -67.9 109.4 54.6 25.4 22.9 10 12 A G - 0 0 42 -2,-0.7 -1,-0.0 1,-0.1 -3,-0.0 -0.345 20.4-102.8 -80.1 168.1 53.4 25.1 26.4 11 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.494 36.0 -95.2 -91.8 163.5 55.4 23.2 29.0 12 14 A P - 0 0 99 0, 0.0 6,-0.0 0, 0.0 4,-0.0 -0.423 51.1 -88.4 -74.5 151.2 54.9 19.7 30.3 13 15 A D > - 0 0 70 1,-0.1 4,-0.9 -2,-0.1 5,-0.1 -0.294 29.7-129.1 -60.6 138.8 53.0 19.2 33.5 14 16 A P T 4 S+ 0 0 96 0, 0.0 361,-0.3 0, 0.0 -1,-0.1 0.724 102.9 19.7 -62.4 -25.0 55.1 19.2 36.7 15 17 A I T >> S+ 0 0 13 359,-0.1 3,-1.8 2,-0.1 4,-0.6 0.794 130.3 39.6-107.7 -63.1 53.6 16.0 37.9 16 18 A L H >> S+ 0 0 83 1,-0.3 4,-1.1 2,-0.2 3,-0.8 0.821 107.7 66.1 -58.7 -33.7 52.1 14.1 35.0 17 19 A G H 3X S+ 0 0 10 -4,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.682 88.9 68.3 -64.9 -15.7 54.9 15.1 32.8 18 20 A V H <> S+ 0 0 18 -3,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.899 97.8 50.0 -68.6 -40.7 57.3 13.0 34.9 19 21 A T H X S+ 0 0 30 -4,-1.8 4,-0.8 1,-0.2 3,-0.6 0.885 111.1 55.3 -66.3 -41.4 59.8 11.5 30.7 22 24 A F H >< S+ 0 0 35 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.864 100.4 61.9 -61.1 -33.2 60.2 8.2 32.6 23 25 A K H 3< S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 101.8 50.1 -62.6 -33.8 58.6 6.4 29.7 24 26 A R H << S+ 0 0 180 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.691 83.8 105.0 -79.8 -22.4 61.4 7.3 27.3 25 27 A D << - 0 0 34 -4,-0.8 5,-0.0 -3,-0.6 -3,-0.0 -0.372 54.3-158.1 -64.1 137.9 64.4 6.3 29.5 26 28 A T + 0 0 141 -2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.551 52.0 119.8 -95.2 -10.1 66.1 3.0 28.4 27 29 A N > - 0 0 45 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.425 57.3-147.5 -61.5 122.0 67.8 2.2 31.8 28 30 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.2 -2,-0.3 342,-0.0 0.702 95.9 56.8 -61.5 -27.3 66.5 -1.1 33.0 29 31 A K T 3 S+ 0 0 121 2,-0.0 -1,-0.3 362,-0.0 -2,-0.1 0.387 78.8 138.7 -89.4 4.1 66.8 0.0 36.6 30 32 A K < - 0 0 58 -3,-1.6 2,-0.4 341,-0.1 341,-0.2 -0.087 34.8-160.5 -52.2 146.0 64.5 3.1 36.2 31 33 A M E -a 371 0A 8 339,-2.0 341,-2.8 338,-0.1 2,-0.9 -0.999 12.2-144.9-132.7 133.3 62.0 3.9 38.9 32 34 A N E +a 372 0A 35 -2,-0.4 341,-0.1 351,-0.2 339,-0.1 -0.793 35.5 151.8-103.7 93.9 58.9 6.1 38.6 33 35 A L + 0 0 0 339,-2.4 347,-1.2 -2,-0.9 341,-0.4 0.036 48.6 90.8-106.3 21.4 58.5 7.9 41.9 34 36 A G S S+ 0 0 0 339,-0.2 340,-0.2 345,-0.2 -18,-0.1 0.892 79.6 41.6 -80.1 -88.1 56.8 11.0 40.4 35 37 A V S S- 0 0 27 -20,-0.3 2,-1.3 1,-0.1 345,-0.1 -0.113 90.7-109.4 -59.0 154.2 53.0 10.4 40.4 36 38 A G + 0 0 0 346,-0.1 2,-0.4 343,-0.0 -1,-0.1 -0.730 62.1 142.8 -91.8 87.5 51.4 8.8 43.5 37 39 A A - 0 0 18 -2,-1.3 2,-0.2 314,-0.1 213,-0.1 -0.995 49.5-118.3-128.8 128.2 50.4 5.4 42.2 38 40 A Y - 0 0 19 -2,-0.4 8,-0.8 8,-0.1 2,-0.4 -0.480 25.8-166.8 -74.6 137.8 50.7 2.3 44.3 39 41 A R B -B 45 0B 77 343,-1.7 345,-0.1 -2,-0.2 2,-0.0 -0.926 20.3-122.0-118.3 144.7 53.0 -0.5 43.3 40 42 A D > - 0 0 36 4,-3.4 3,-2.7 -2,-0.4 4,-0.3 -0.248 44.9 -84.5 -76.2 178.4 52.9 -4.0 44.8 41 43 A D T 3 S+ 0 0 61 1,-0.3 345,-0.6 2,-0.2 346,-0.5 0.463 131.4 56.5 -63.7 -1.8 56.0 -5.5 46.5 42 44 A N T 3 S- 0 0 124 2,-0.2 -1,-0.3 343,-0.1 343,-0.1 0.340 123.8-105.8-104.9 -1.8 57.3 -6.7 43.1 43 45 A G S < S+ 0 0 29 -3,-2.7 -2,-0.2 1,-0.3 342,-0.1 0.853 78.0 132.7 77.9 42.4 57.1 -3.1 41.9 44 46 A K - 0 0 122 -4,-0.3 -4,-3.4 1,-0.0 -1,-0.3 -0.902 66.3 -90.2-127.6 152.5 54.1 -3.7 39.8 45 47 A P B -B 39 0B 89 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.331 45.3-145.6 -58.4 134.7 50.7 -2.1 39.2 46 48 A Y - 0 0 61 -8,-0.8 2,-0.6 -6,-0.0 -8,-0.1 -0.929 16.8-170.5-117.7 118.5 48.2 -3.5 41.6 47 49 A V - 0 0 56 -2,-0.5 5,-0.1 207,-0.0 206,-0.1 -0.907 36.6-113.4-101.1 115.5 44.5 -4.1 40.9 48 50 A L > - 0 0 1 -2,-0.6 4,-2.6 204,-0.3 5,-0.1 -0.168 9.8-128.8 -56.3 144.5 42.7 -5.0 44.0 49 51 A N H > S+ 0 0 84 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.928 112.5 51.3 -55.0 -50.2 41.2 -8.5 44.5 50 52 A C H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.857 108.3 54.5 -58.3 -33.8 37.9 -7.0 45.4 51 53 A V H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.964 106.3 50.1 -65.0 -47.5 38.1 -5.0 42.3 52 54 A R H X S+ 0 0 134 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.931 112.7 47.1 -53.5 -49.5 38.7 -8.1 40.2 53 55 A K H X S+ 0 0 104 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.924 109.5 52.5 -59.6 -47.4 35.7 -9.8 41.8 54 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.922 109.2 51.1 -53.4 -47.0 33.4 -6.7 41.3 55 57 A E H X S+ 0 0 63 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.882 109.9 51.1 -56.5 -42.4 34.4 -6.7 37.7 56 58 A A H X S+ 0 0 56 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.925 106.9 50.8 -65.4 -45.0 33.5 -10.3 37.5 57 59 A M H X S+ 0 0 67 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.883 110.2 52.3 -60.2 -35.8 30.1 -9.9 39.0 58 60 A I H <>S+ 0 0 18 -4,-2.1 5,-1.1 -5,-0.2 4,-0.3 0.881 110.0 47.8 -66.2 -39.8 29.5 -7.1 36.5 59 61 A A H ><5S+ 0 0 50 -4,-1.9 3,-2.6 1,-0.2 -2,-0.2 0.972 108.8 51.7 -64.0 -55.7 30.4 -9.3 33.5 60 62 A A H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.3 61.2 -53.3 -30.1 28.4 -12.2 34.6 61 63 A K T 3<5S- 0 0 124 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.609 99.3-136.3 -75.7 -12.3 25.3 -9.9 34.9 62 64 A K T < 5 - 0 0 171 -3,-2.6 -3,-0.1 -4,-0.3 -2,-0.1 0.932 34.1-165.5 55.6 50.9 25.5 -9.0 31.3 63 66 A M < - 0 0 83 -5,-1.1 -1,-0.1 1,-0.1 -5,-0.0 -0.264 13.7-115.5 -70.6 152.2 24.9 -5.3 32.1 64 67 A D - 0 0 94 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.172 7.0-137.1 -77.5 177.9 23.9 -2.6 29.7 65 68 A K + 0 0 164 2,-0.0 3,-0.1 3,-0.0 -1,-0.1 -0.064 49.2 148.8-124.5 28.2 26.0 0.4 28.7 66 69 A E - 0 0 131 1,-0.1 226,-0.0 226,-0.0 2,-0.0 -0.235 58.4 -83.3 -66.1 155.0 23.1 2.9 28.8 67 70 A Y - 0 0 198 1,-0.1 -1,-0.1 224,-0.0 3,-0.1 -0.342 43.6-136.6 -57.4 134.7 23.6 6.6 29.7 68 71 A L - 0 0 22 222,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.432 36.2 -83.6 -83.9 164.7 23.7 7.2 33.5 69 72 A P > - 0 0 87 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.231 45.1-102.9 -62.9 161.5 21.8 10.2 34.9 70 73 A I T 3 S+ 0 0 50 1,-0.3 3,-0.1 219,-0.2 -2,-0.1 0.853 123.3 50.9 -54.4 -39.3 23.6 13.6 34.9 71 74 A A T 3 S- 0 0 14 1,-0.2 30,-3.4 29,-0.1 -1,-0.3 0.524 114.9-116.7 -81.1 -4.1 24.3 13.3 38.6 72 75 A G < - 0 0 5 -3,-1.7 2,-0.6 28,-0.2 -1,-0.2 -0.498 56.3 -19.8 102.9-171.1 25.8 9.7 38.3 73 76 A L >> - 0 0 44 -2,-0.2 4,-2.5 1,-0.2 3,-0.9 -0.634 56.0-145.6 -78.0 113.1 24.9 6.2 39.7 74 77 A A H 3> S+ 0 0 60 -2,-0.6 4,-3.1 1,-0.3 5,-0.3 0.859 98.8 52.4 -45.2 -46.0 22.6 6.7 42.7 75 78 A D H 3> S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.868 112.1 45.3 -61.0 -39.1 23.9 3.8 44.5 76 79 A F H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.893 113.9 50.4 -70.6 -42.1 27.5 5.1 44.0 77 80 A T H X S+ 0 0 26 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.903 112.0 44.5 -65.0 -47.8 26.5 8.6 45.1 78 81 A R H X S+ 0 0 98 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.886 113.5 52.9 -68.4 -35.8 24.7 7.6 48.2 79 82 A A H X S+ 0 0 1 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.862 107.1 50.8 -68.6 -34.6 27.5 5.2 49.1 80 83 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.910 109.7 49.4 -67.9 -42.6 30.2 7.9 48.7 81 84 A A H X S+ 0 0 0 -4,-1.7 4,-3.5 1,-0.2 5,-0.3 0.924 111.9 50.2 -59.1 -45.9 28.4 10.3 51.0 82 85 A E H X S+ 0 0 52 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.863 109.4 50.3 -60.5 -41.1 28.0 7.6 53.5 83 86 A L H < S+ 0 0 5 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.872 118.5 39.0 -68.2 -37.1 31.8 6.7 53.3 84 87 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.956 125.9 34.5 -74.4 -52.2 32.7 10.4 53.8 85 88 A L H < S- 0 0 7 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.844 104.7-120.6 -71.8 -40.1 30.0 11.3 56.4 86 89 A G >< - 0 0 4 -4,-2.2 3,-1.0 -5,-0.3 6,-0.2 0.029 25.4 -95.1 98.7 145.3 29.6 8.0 58.4 87 90 A E T 3 S+ 0 0 134 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.780 120.8 51.6 -62.1 -32.1 26.3 6.1 58.7 88 91 A N T 3 S+ 0 0 130 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.453 81.4 126.3 -84.6 -8.0 25.3 7.7 62.1 89 92 A S <> - 0 0 18 -3,-1.0 4,-3.0 1,-0.1 5,-0.1 -0.289 58.6-143.8 -58.0 137.5 25.7 11.2 60.9 90 93 A E H > S+ 0 0 115 2,-0.2 4,-3.6 1,-0.2 6,-0.3 0.866 102.5 57.7 -69.1 -36.4 22.8 13.6 61.2 91 94 A A H >>S+ 0 0 1 2,-0.2 5,-1.3 1,-0.2 4,-0.5 0.931 114.6 36.2 -59.1 -46.4 23.8 15.2 57.9 92 95 A F H >45S+ 0 0 24 -6,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.955 119.1 50.0 -69.3 -53.0 23.5 11.9 56.1 93 96 A K H 3<5S+ 0 0 122 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.911 113.0 45.9 -53.9 -46.9 20.5 10.8 58.2 94 97 A S H 3<5S- 0 0 54 -4,-3.6 -1,-0.3 -5,-0.1 -2,-0.2 0.601 105.8-127.8 -75.8 -9.9 18.6 14.0 57.6 95 98 A G T <<5 + 0 0 27 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.731 59.0 145.9 69.7 21.0 19.4 14.0 53.9 96 99 A R < + 0 0 31 -5,-1.3 170,-3.2 -6,-0.3 2,-0.3 -0.013 51.6 79.5 -75.5 25.6 20.9 17.6 54.1 97 100 A Y E -C 265 0C 41 168,-0.2 2,-0.4 -2,-0.2 168,-0.2 -0.905 59.8-154.2-134.4 166.0 23.4 16.8 51.4 98 101 A V E -C 264 0C 8 166,-1.4 166,-2.2 -2,-0.3 2,-0.4 -0.985 12.2-173.0-142.9 125.6 23.9 16.4 47.7 99 102 A T E -C 263 0C 6 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.951 2.5-170.1-119.8 138.6 26.5 14.2 46.1 100 103 A V E -C 262 0C 1 162,-2.0 162,-2.6 -2,-0.4 -28,-0.2 -0.999 30.0-108.5-134.7 133.7 27.1 14.1 42.5 101 104 A Q E -C 261 0C 0 -30,-3.4 2,-0.3 -2,-0.4 160,-0.3 -0.397 43.3-167.5 -60.7 137.9 29.3 11.6 40.6 102 105 A G E -C 260 0C 0 158,-3.1 2,-2.8 144,-0.1 158,-0.8 -0.877 36.8 -97.8-129.9 159.8 32.5 13.3 39.4 103 106 A I S > S- 0 0 50 -2,-0.3 4,-1.7 156,-0.1 156,-0.2 -0.429 84.3 -74.7 -75.6 69.3 35.4 12.6 37.0 104 107 A S H > S- 0 0 0 -2,-2.8 4,-1.6 154,-0.4 156,-0.2 -0.237 84.9 -40.2 70.2-157.3 37.5 11.5 39.8 105 108 A G H > S+ 0 0 0 154,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 140.1 48.3 -64.7 -51.1 39.1 13.9 42.3 106 109 A T H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 112.6 47.1 -56.9 -46.5 40.0 16.6 39.6 107 110 A G H X S+ 0 0 17 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.873 114.7 46.9 -65.8 -39.6 36.6 16.6 37.9 108 111 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.925 112.5 49.4 -66.2 -46.1 34.8 16.8 41.3 109 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 114.4 46.4 -57.4 -45.4 37.1 19.6 42.5 110 113 A R H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.883 108.3 53.3 -70.7 -39.7 36.5 21.5 39.2 111 114 A V H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.934 112.8 47.4 -60.7 -40.1 32.7 21.0 39.2 112 115 A G H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.908 109.9 49.9 -65.4 -46.7 32.8 22.5 42.7 113 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.915 113.9 46.7 -58.5 -44.7 35.0 25.4 41.8 114 117 A N H X S+ 0 0 31 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.764 111.4 51.6 -67.2 -31.4 32.8 26.2 38.9 115 118 A F H X S+ 0 0 22 -4,-1.5 4,-2.8 -5,-0.2 5,-0.4 0.944 112.4 46.0 -69.5 -48.5 29.7 25.8 41.1 116 119 A L H X S+ 0 0 5 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.917 108.5 56.0 -57.7 -47.5 31.3 28.3 43.5 117 120 A Q H < S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.5 38.3 -54.4 -37.0 32.3 30.7 40.7 118 121 A R H < S+ 0 0 123 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.809 132.5 18.5 -88.1 -32.7 28.7 30.7 39.8 119 122 A F H < S+ 0 0 87 -4,-2.8 2,-1.7 1,-0.1 -3,-0.2 0.566 91.3 96.6-116.9 -13.4 26.8 30.7 43.2 120 123 A F >< + 0 0 29 -4,-2.9 3,-0.9 -5,-0.4 -1,-0.1 -0.619 45.7 171.9 -81.6 87.6 29.3 31.8 45.9 121 124 A K T 3 + 0 0 174 -2,-1.7 -1,-0.2 1,-0.2 3,-0.1 0.647 60.6 70.7 -71.8 -17.2 28.3 35.4 46.0 122 125 A F T 3 S- 0 0 100 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.510 107.7 -7.8 -81.7 -4.1 30.3 36.4 49.1 123 126 A S < - 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