==== 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 27-AUG-93 1ASE . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.SCHUMACHER,D.RINGE . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 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 . 3 0.8 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 . 2 0.5 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 2 2 0 2 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 0 1 2 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 . 1 1 1 0 0 2 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 . 2 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 13 A M 0 0 187 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.8 -116.1 14.7 92.0 2 14 A F > + 0 0 165 1,-0.2 3,-1.2 2,-0.1 0, 0.0 0.252 360.0 106.1 -98.9 16.6 -118.2 16.6 89.4 3 15 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.784 87.0 33.7 -66.0 -38.2 -116.5 20.0 89.6 4 16 A N T 3 S+ 0 0 158 -3,-0.4 2,-0.6 2,-0.1 -1,-0.3 -0.120 82.9 130.5-112.8 32.5 -114.5 20.0 86.3 5 17 A I < - 0 0 116 -3,-1.2 2,-0.2 3,-0.0 -3,-0.0 -0.787 53.4-138.9 -85.2 124.9 -117.0 18.0 84.4 6 18 A T - 0 0 125 -2,-0.6 2,-0.2 1,-0.1 -2,-0.1 -0.550 21.3-102.8 -78.1 150.7 -117.5 19.8 81.2 7 19 A A - 0 0 86 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.534 38.8-119.4 -71.3 135.6 -120.9 20.2 79.7 8 20 A A - 0 0 88 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.465 30.1-102.8 -69.5 150.4 -121.4 17.8 76.8 9 21 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.409 48.8 -95.6 -60.6 153.6 -122.3 19.3 73.3 10 22 A A - 0 0 79 1,-0.1 6,-0.0 -3,-0.1 -3,-0.0 -0.427 42.6 -97.2 -77.1 152.8 -126.0 19.0 72.5 11 23 A D > - 0 0 58 1,-0.1 4,-1.7 -2,-0.1 5,-0.3 -0.464 27.0-134.5 -64.8 132.8 -127.1 16.1 70.4 12 24 A P T 4 S+ 0 0 66 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.756 102.3 26.6 -63.4 -26.2 -127.4 17.1 66.7 13 25 A I T >> S+ 0 0 9 357,-0.1 3,-0.8 2,-0.1 4,-0.7 0.848 130.8 36.0 -98.0 -58.8 -130.9 15.4 66.3 14 26 A L H 3> S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.805 107.6 66.2 -67.0 -28.3 -132.3 15.5 69.8 15 27 A G H 3X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.770 95.3 61.3 -65.5 -26.8 -130.8 18.9 70.7 16 28 A L H <> S+ 0 0 8 -3,-0.8 4,-2.7 -5,-0.3 -1,-0.3 0.915 96.9 56.2 -59.8 -47.6 -133.1 20.4 68.1 17 29 A A H X S+ 0 0 37 -4,-0.7 4,-1.6 -3,-0.5 -2,-0.2 0.880 105.4 52.9 -58.6 -34.6 -136.2 19.2 69.9 18 30 A D H X S+ 0 0 127 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.917 114.3 41.5 -63.9 -42.1 -135.0 21.1 73.0 19 31 A L H X S+ 0 0 94 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.841 111.2 56.2 -72.7 -37.4 -134.6 24.4 71.0 20 32 A F H >< S+ 0 0 11 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.916 109.6 43.8 -61.3 -50.8 -137.8 23.9 68.9 21 33 A R H 3< S+ 0 0 181 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.690 108.8 56.7 -71.6 -21.9 -140.0 23.7 71.8 22 34 A A H 3< S+ 0 0 73 -4,-0.8 2,-0.4 -5,-0.2 -1,-0.2 0.540 89.8 93.7 -86.6 -7.9 -138.4 26.5 73.8 23 35 A D << - 0 0 28 -3,-0.6 5,-0.1 -4,-0.6 -4,-0.0 -0.733 57.8-167.0 -87.5 129.2 -139.1 28.8 70.8 24 36 A E + 0 0 182 -2,-0.4 -1,-0.1 3,-0.0 -3,-0.1 -0.049 44.7 124.8-118.8 34.4 -142.4 30.8 71.1 25 37 A R > - 0 0 80 1,-0.1 3,-0.9 341,-0.0 -2,-0.1 -0.779 59.1-140.6 -82.8 129.0 -142.6 31.9 67.6 26 38 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.819 90.2 50.1 -75.5 -30.5 -146.0 30.7 66.5 27 39 A G T 3 S+ 0 0 59 2,-0.0 -3,-0.0 -3,-0.0 -2,-0.0 0.116 76.2 142.4 -95.6 24.7 -145.4 29.5 62.9 28 40 A K < - 0 0 40 -3,-0.9 2,-0.4 -5,-0.1 339,-0.2 -0.239 38.6-147.1 -69.1 151.8 -142.3 27.4 63.5 29 41 A I B -a 367 0A 12 337,-2.7 339,-2.6 1,-0.2 351,-0.1 -0.979 1.3-154.7-121.5 134.4 -141.8 24.1 61.5 30 42 A N + 0 0 30 -2,-0.4 -1,-0.2 349,-0.2 338,-0.2 0.987 32.2 151.7 -86.7 -58.2 -140.0 21.1 63.1 31 43 A L + 0 0 4 348,-0.2 345,-1.5 345,-0.2 339,-0.4 0.567 52.4 97.7 45.9 9.5 -138.5 18.9 60.2 32 44 A G + 0 0 1 337,-0.2 338,-0.2 343,-0.2 -1,-0.1 0.907 68.7 38.2 -92.3 -84.5 -135.8 17.7 62.7 33 45 A I S S- 0 0 61 -20,-0.2 -19,-0.1 1,-0.1 -1,-0.0 0.560 90.7-113.7 -58.4 -25.1 -136.2 14.3 64.5 34 46 A G + 0 0 2 1,-0.3 2,-0.4 313,-0.1 -1,-0.1 0.901 61.7 141.3 95.0 32.2 -137.7 11.8 62.1 35 47 A V - 0 0 29 312,-0.1 -1,-0.3 341,-0.1 2,-0.1 -0.866 55.7-110.3-105.2 137.2 -141.0 11.1 63.6 36 48 A Y - 0 0 24 -2,-0.4 2,-0.4 210,-0.1 343,-0.1 -0.517 31.4-165.3 -66.4 140.9 -143.9 10.6 61.1 37 49 A K - 0 0 54 341,-1.5 6,-0.2 -2,-0.1 2,-0.2 -0.968 11.0-138.2-123.1 146.3 -146.6 13.4 61.1 38 50 A D B >> -B 42 0B 27 4,-2.7 3,-2.8 -2,-0.4 4,-0.5 -0.454 45.0 -76.4 -90.2-179.3 -150.0 13.0 59.4 39 51 A E T 34 S+ 0 0 97 1,-0.3 344,-0.3 2,-0.2 -1,-0.0 0.599 130.5 54.0 -55.0 -17.2 -151.8 15.6 57.3 40 52 A T T 34 S- 0 0 93 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.287 120.8-100.7-103.6 7.5 -152.8 17.5 60.4 41 53 A G T <4 S+ 0 0 36 -3,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.631 83.7 119.5 83.1 22.5 -149.3 17.9 61.9 42 54 A K B < -B 38 0B 108 -4,-0.5 -4,-2.7 2,-0.0 -1,-0.3 -0.847 60.0-146.1-129.3 153.3 -149.7 15.1 64.4 43 55 A T - 0 0 52 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.0 -0.785 32.0-170.3-109.7 80.4 -148.2 11.8 65.4 44 56 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.251 32.9-105.6 -63.2 156.3 -151.2 9.8 66.5 45 57 A V - 0 0 64 1,-0.1 5,-0.1 205,-0.0 204,-0.1 -0.808 53.1-102.1 -80.7 127.5 -150.7 6.5 68.2 46 58 A L > - 0 0 15 -2,-0.5 4,-1.4 202,-0.4 -1,-0.1 0.009 18.4-126.7 -46.5 159.4 -151.8 4.0 65.5 47 59 A T H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.845 109.7 57.9 -82.3 -33.1 -155.3 2.4 65.7 48 60 A S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 110.0 45.3 -65.0 -32.3 -153.9 -1.1 65.4 49 61 A V H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.829 109.1 54.6 -86.4 -25.0 -151.8 -0.4 68.5 50 62 A K H X S+ 0 0 118 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.874 110.4 47.2 -68.1 -36.1 -154.8 1.2 70.4 51 63 A K H X S+ 0 0 114 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.958 113.3 48.3 -66.7 -44.5 -156.8 -2.0 69.8 52 64 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.838 110.8 51.5 -60.4 -40.7 -153.9 -4.2 70.9 53 65 A E H X S+ 0 0 44 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.931 107.0 51.8 -64.7 -42.2 -153.4 -2.0 74.0 54 66 A Q H X S+ 0 0 106 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.944 110.7 52.2 -55.9 -45.4 -157.2 -2.3 75.0 55 67 A Y H X S+ 0 0 120 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.818 108.5 46.7 -53.7 -50.7 -156.6 -6.1 74.6 56 68 A L H X S+ 0 0 9 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.904 109.9 55.7 -66.7 -38.1 -153.5 -6.1 76.9 57 69 A L H < S+ 0 0 132 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.836 116.1 36.7 -60.3 -33.3 -155.5 -4.0 79.4 58 70 A E H < S+ 0 0 127 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.903 126.1 39.5 -83.2 -37.9 -158.2 -6.7 79.4 59 71 A N H < S+ 0 0 96 -4,-3.4 2,-0.3 -5,-0.2 -2,-0.2 0.291 83.8 100.7-105.2 16.3 -155.9 -9.7 79.1 60 72 A E < + 0 0 69 -4,-1.5 3,-0.1 1,-0.1 -4,-0.0 -0.743 32.5 174.5-102.7 144.8 -152.8 -9.2 81.2 61 73 A T + 0 0 148 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.573 64.9 24.3-117.5 -21.4 -152.5 -10.9 84.6 62 74 A T - 0 0 86 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 -0.981 41.4-158.1-147.7 154.7 -148.9 -10.0 85.6 63 75 A K + 0 0 160 -2,-0.3 3,-0.2 -3,-0.1 225,-0.1 0.189 51.5 146.5-109.6 11.3 -146.1 -7.6 85.1 64 76 A N - 0 0 118 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.181 60.9 -69.0 -54.5 143.0 -143.6 -10.2 86.3 65 77 A Y - 0 0 188 1,-0.1 -1,-0.1 220,-0.0 2,-0.1 0.138 42.5-134.6 -44.4 132.9 -140.2 -10.1 84.6 66 78 A L - 0 0 40 220,-0.3 5,-0.1 -3,-0.2 -1,-0.1 -0.402 39.5 -91.2 -72.4 161.4 -139.7 -11.0 81.0 67 79 A G > - 0 0 42 3,-0.5 3,-2.4 -2,-0.1 -1,-0.1 -0.361 46.5 -95.5 -67.5 166.9 -136.7 -13.3 80.2 68 80 A I T 3 S+ 0 0 52 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.821 130.2 42.4 -55.3 -30.6 -133.4 -11.5 79.4 69 81 A D T 3 S- 0 0 45 1,-0.3 30,-2.0 29,-0.1 -1,-0.3 0.280 109.2-141.0 -97.6 2.6 -134.2 -11.8 75.8 70 82 A G < + 0 0 7 -3,-2.4 -3,-0.5 28,-0.2 -1,-0.3 -0.385 54.7 7.8 82.6-152.2 -137.9 -10.9 76.2 71 83 A I > - 0 0 18 1,-0.1 4,-1.7 -2,-0.1 -5,-0.0 -0.636 55.0-153.7 -75.2 120.9 -141.0 -12.2 74.5 72 84 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.883 96.5 57.2 -63.3 -39.4 -140.3 -15.3 72.4 73 85 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 106.1 49.6 -56.7 -45.6 -143.3 -14.6 70.1 74 86 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 108.7 55.8 -57.5 -43.3 -141.8 -11.1 69.4 75 87 A G H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.919 109.5 41.5 -60.8 -46.6 -138.5 -12.9 68.6 76 88 A R H X S+ 0 0 127 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.914 113.9 51.3 -75.8 -41.4 -139.9 -15.3 65.9 77 89 A C H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 110.3 50.9 -54.5 -42.2 -142.1 -12.7 64.2 78 90 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.944 111.0 48.6 -63.1 -48.4 -139.1 -10.3 64.0 79 91 A Q H X S+ 0 0 14 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.846 112.4 48.1 -57.7 -39.4 -137.0 -13.1 62.4 80 92 A E H X S+ 0 0 80 -4,-2.2 4,-1.4 3,-0.2 -1,-0.2 0.823 111.1 50.8 -67.5 -36.7 -139.8 -13.8 59.9 81 93 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 120.2 35.9 -68.9 -40.6 -140.1 -10.1 59.1 82 94 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.934 132.6 23.4 -75.4 -50.6 -136.4 -9.9 58.5 83 95 A F H < S- 0 0 10 -4,-3.0 -3,-0.2 -5,-0.2 5,-0.2 0.659 109.2-106.2 -98.4 -13.2 -135.6 -13.3 56.9 84 96 A G >< - 0 0 7 -4,-1.4 3,-1.3 -5,-0.4 6,-0.2 0.023 42.0 -67.2 97.4 146.7 -138.9 -14.4 55.4 85 97 A K T 3 S+ 0 0 171 1,-0.3 -8,-0.0 -5,-0.1 -5,-0.0 -0.446 125.4 13.9 -66.8 135.4 -141.4 -17.0 56.5 86 98 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.867 90.2 167.2 63.3 34.9 -139.8 -20.4 56.1 87 99 A S <> - 0 0 21 -3,-1.3 4,-2.0 1,-0.1 3,-0.2 -0.491 46.3-119.2 -70.4 157.6 -136.3 -18.9 55.7 88 100 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 6,-0.2 0.804 111.5 54.1 -70.0 -29.1 -133.5 -21.4 55.9 89 101 A L H 4>S+ 0 0 8 2,-0.2 5,-2.2 1,-0.2 6,-1.0 0.736 109.5 49.1 -78.7 -23.2 -131.9 -19.6 59.0 90 102 A I H >45S+ 0 0 8 -3,-0.2 3,-1.0 3,-0.2 -2,-0.2 0.920 114.7 44.0 -73.6 -48.5 -135.1 -19.9 60.9 91 103 A N H 3<5S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.861 113.1 49.6 -64.3 -40.5 -135.5 -23.6 60.0 92 104 A D T 3<5S- 0 0 100 -4,-2.2 173,-0.5 -5,-0.1 -1,-0.2 0.414 110.6-124.0 -78.0 2.5 -131.8 -24.4 60.8 93 105 A K T < 5 + 0 0 139 -3,-1.0 -3,-0.2 171,-0.1 -2,-0.1 0.835 67.2 140.6 50.2 42.6 -132.3 -22.6 64.1 94 106 A R < + 0 0 33 -5,-2.2 168,-1.7 -6,-0.2 2,-0.3 0.604 47.4 68.4 -85.5 -20.9 -129.4 -20.4 63.1 95 107 A A E -C 261 0C 5 -6,-1.0 2,-0.4 166,-0.2 166,-0.2 -0.788 55.0-172.9-103.8 147.5 -130.7 -17.0 64.4 96 108 A R E -C 260 0C 69 164,-2.6 164,-3.0 -2,-0.3 2,-0.4 -0.983 10.8-162.9-135.8 126.0 -131.3 -15.9 68.0 97 109 A T E -C 259 0C 12 -2,-0.4 2,-0.4 162,-0.3 162,-0.2 -0.935 8.9-161.5-119.0 134.1 -133.0 -12.7 68.8 98 110 A A E -C 258 0C 0 160,-2.7 160,-2.6 -2,-0.4 2,-0.2 -0.928 24.7-125.5-101.2 131.4 -133.2 -10.6 72.0 99 111 A Q E -C 257 0C 2 -30,-2.0 158,-0.3 -2,-0.4 156,-0.1 -0.626 40.2-178.1 -69.4 141.1 -135.9 -8.0 72.4 100 112 A T E -C 256 0C 0 156,-2.8 156,-2.3 -2,-0.2 2,-1.6 -0.904 40.2 -87.7-139.4 161.3 -134.2 -4.6 73.2 101 113 A P S > S- 0 0 31 0, 0.0 4,-1.5 0, 0.0 154,-0.3 -0.592 92.1 -52.7 -70.8 84.9 -135.1 -0.9 74.1 102 114 A G H > S- 0 0 0 -2,-1.6 4,-1.4 152,-0.4 154,-0.3 0.023 81.2 -61.0 73.2 179.4 -135.3 0.3 70.5 103 115 A G H > S+ 0 0 8 152,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.757 133.2 59.0 -70.8 -24.4 -132.8 0.0 67.8 104 116 A T H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 105.7 48.3 -71.7 -42.1 -130.3 2.0 69.8 105 117 A G H X S+ 0 0 15 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.824 112.1 49.9 -64.1 -38.7 -130.4 -0.5 72.6 106 118 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.854 109.9 51.0 -66.7 -36.0 -130.0 -3.3 70.0 107 119 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 112.8 45.5 -70.3 -38.2 -127.0 -1.5 68.4 108 120 A R H X S+ 0 0 89 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.935 109.3 54.0 -70.8 -43.8 -125.3 -1.1 71.8 109 121 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 110.1 49.5 -57.8 -38.6 -125.9 -4.7 72.9 110 122 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.947 112.5 47.0 -62.1 -48.8 -124.3 -5.8 69.7 111 123 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.864 113.5 46.7 -61.6 -47.4 -121.3 -3.5 70.4 112 124 A D H X S+ 0 0 35 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.892 113.9 50.2 -56.8 -46.8 -121.0 -4.7 74.0 113 125 A F H X S+ 0 0 16 -4,-2.4 4,-2.0 -5,-0.3 5,-0.3 0.991 113.6 42.8 -54.3 -67.4 -121.2 -8.3 72.9 114 126 A L H X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 6,-0.4 0.821 110.9 57.5 -50.8 -34.7 -118.6 -7.9 70.1 115 127 A A H < S+ 0 0 38 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.983 118.4 28.3 -70.1 -51.3 -116.2 -5.9 72.4 116 128 A K H < S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.630 131.2 35.4 -86.6 -9.7 -116.0 -8.6 75.1 117 129 A N H < S+ 0 0 56 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.390 112.4 54.6-122.4 4.8 -116.5 -11.8 73.0 118 130 A T S < S- 0 0 60 -4,-1.2 54,-0.0 -5,-0.3 0, 0.0 -0.775 74.9-119.6-142.2 162.7 -114.8 -11.0 69.8 119 131 A S + 0 0 109 -2,-0.3 -4,-0.1 53,-0.1 -5,-0.1 0.253 67.0 130.6 -74.7 -7.4 -111.6 -9.8 68.1 120 132 A V + 0 0 8 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.354 20.0 159.9 -75.7 137.2 -113.3 -6.7 66.6 121 133 A K + 0 0 144 1,-0.2 22,-2.7 51,-0.1 2,-0.4 0.482 64.3 53.6-118.5 -21.6 -111.5 -3.4 67.0 122 134 A R E -d 143 0C 30 20,-0.2 52,-2.4 50,-0.2 2,-0.5 -0.974 51.2-170.6-132.0 126.6 -113.2 -1.6 64.2 123 135 A V E -de 144 174C 0 20,-2.9 22,-2.2 -2,-0.4 2,-0.4 -0.971 21.5-146.2-109.1 132.2 -116.8 -0.9 63.1 124 136 A W E -de 145 175C 1 50,-2.3 52,-3.0 -2,-0.5 2,-0.3 -0.850 20.9-178.8 -97.6 132.2 -117.0 0.7 59.6 125 137 A V E -d 146 0C 6 20,-2.2 22,-1.7 -2,-0.4 4,-0.1 -0.967 27.6-100.3-132.9 145.6 -119.9 3.1 59.2 126 138 A S E -d 147 0C 2 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.176 36.1 -99.6 -69.4 157.4 -121.0 5.1 56.2 127 139 A N S S+ 0 0 85 20,-1.8 23,-1.3 1,-0.2 22,-0.4 -0.966 114.2 24.1-114.1 113.0 -120.3 8.7 55.4 128 140 A P S S+ 0 0 28 0, 0.0 2,-0.2 0, 0.0 57,-0.2 0.658 93.1 149.6 -87.8 167.9 -122.7 10.1 56.1 129 141 A S - 0 0 17 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.825 57.8 -56.7-140.4 179.7 -124.5 8.0 58.7 130 142 A W > - 0 0 51 53,-0.3 3,-1.5 -2,-0.2 4,-0.4 -0.503 55.0-130.2 -51.6 127.5 -126.9 8.3 61.8 131 143 A P T 3 S+ 0 0 58 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.765 102.3 58.4 -58.4 -26.4 -124.9 10.7 64.1 132 144 A N T 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.509 81.3 84.1 -87.4 -4.3 -125.3 8.4 67.1 133 145 A H H <> S+ 0 0 1 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.945 93.0 48.0 -57.9 -42.1 -123.7 5.3 65.5 134 146 A K H > S+ 0 0 108 -3,-0.4 4,-2.6 -4,-0.4 -1,-0.2 0.855 110.9 50.5 -68.6 -37.8 -120.2 6.6 66.4 135 147 A S H > S+ 0 0 69 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.847 111.1 47.1 -73.0 -36.0 -121.2 7.4 69.9 136 148 A V H X S+ 0 0 8 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.944 116.7 43.9 -72.8 -48.8 -122.8 3.9 70.6 137 149 A F H >X>S+ 0 0 0 -4,-2.5 5,-1.0 -5,-0.2 3,-0.7 0.937 112.9 50.6 -68.2 -40.9 -119.8 2.1 69.1 138 150 A N H ><5S+ 0 0 68 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.907 104.6 59.0 -63.6 -29.7 -117.1 4.3 70.9 139 151 A S H 3<5S+ 0 0 60 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 103.8 51.9 -67.9 -27.7 -118.9 3.7 74.2 140 152 A A H <<5S- 0 0 18 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.570 125.6-103.0 -80.6 -14.1 -118.4 -0.0 73.8 141 153 A G T <<5S+ 0 0 67 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.053 79.1 131.6 114.2 -21.1 -114.7 0.5 73.2 142 154 A L < - 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