==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 12-JAN-06 2FO7 . COMPND 2 MOLECULE: SYNTHETIC CONSENSUS TPR PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.KAJANDER,A.L.CORTAJARENA,L.REGAN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 83.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 0 0 0 0 0 0 0 0 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A > 0 0 45 0, 0.0 4,-4.9 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -20.7 16.1 12.4 4.0 2 2 A E H > + 0 0 70 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.767 360.0 49.8 -47.5 -29.4 18.6 13.5 6.7 3 3 A A H > S+ 0 0 78 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.920 116.0 38.2 -78.2 -47.6 15.9 12.5 9.1 4 4 A W H > S+ 0 0 112 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.912 117.2 53.2 -67.8 -41.1 15.3 9.1 7.7 5 5 A Y H X S+ 0 0 48 -4,-4.9 4,-2.2 1,-0.2 -2,-0.2 0.916 111.1 46.3 -58.3 -43.3 19.0 8.8 7.1 6 6 A N H X S+ 0 0 97 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.861 109.4 52.7 -69.1 -37.1 19.6 9.6 10.8 7 7 A L H X S+ 0 0 71 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.885 109.1 53.1 -64.5 -35.1 16.9 7.2 11.9 8 8 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.955 106.3 51.3 -62.7 -49.3 18.8 4.7 9.8 9 9 A N H X S+ 0 0 42 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.874 107.1 53.9 -54.1 -43.4 22.1 5.5 11.5 10 10 A A H X S+ 0 0 60 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.910 111.5 43.7 -59.7 -47.6 20.5 5.0 15.0 11 11 A Y H X>S+ 0 0 70 -4,-1.8 5,-3.5 2,-0.2 4,-1.0 0.886 114.3 51.6 -65.6 -39.6 19.3 1.5 14.2 12 12 A Y H ><5S+ 0 0 52 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.964 110.8 46.9 -61.3 -51.7 22.6 0.7 12.5 13 13 A K H 3<5S+ 0 0 184 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 110.3 53.9 -60.8 -26.7 24.5 1.9 15.6 14 14 A Q H 3<5S- 0 0 145 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.688 124.3-105.9 -81.0 -19.4 22.1 -0.2 17.8 15 15 A G T <<5S+ 0 0 34 -3,-1.1 2,-0.7 -4,-1.0 -3,-0.2 0.603 80.3 128.0 104.0 18.3 22.9 -3.2 15.7 16 16 A D >< + 0 0 48 -5,-3.5 4,-2.4 1,-0.2 3,-0.2 -0.636 20.7 164.8-110.4 76.7 19.7 -3.5 13.7 17 17 A Y H > S+ 0 0 56 -2,-0.7 4,-3.0 2,-0.2 5,-0.2 0.810 72.3 61.1 -60.4 -36.6 20.7 -3.7 10.1 18 18 A D H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.965 114.3 36.7 -56.0 -52.0 17.4 -4.9 8.8 19 19 A E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.840 113.0 57.2 -69.0 -36.3 15.8 -1.6 10.1 20 20 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.948 107.8 50.1 -60.0 -45.2 18.8 0.5 9.2 21 21 A I H X S+ 0 0 12 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.947 106.6 53.1 -56.0 -55.2 18.4 -0.7 5.6 22 22 A E H X S+ 0 0 47 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.864 114.6 42.0 -49.2 -43.9 14.7 0.1 5.4 23 23 A Y H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.807 111.2 52.7 -78.3 -32.4 15.3 3.7 6.6 24 24 A Y H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.902 111.2 50.8 -67.4 -38.9 18.4 4.4 4.5 25 25 A Q H X S+ 0 0 83 -4,-2.8 4,-2.0 -5,-0.2 3,-0.3 0.935 107.7 50.7 -62.1 -47.6 16.3 3.2 1.5 26 26 A K H X S+ 0 0 30 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.903 112.4 48.4 -57.1 -41.9 13.4 5.5 2.4 27 27 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.766 108.4 52.7 -70.3 -28.7 15.9 8.4 2.6 28 28 A L H < S+ 0 0 12 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.802 104.1 58.0 -76.4 -28.6 17.5 7.4 -0.8 29 29 A E H < S+ 0 0 80 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.6 40.1 -63.4 -42.9 14.0 7.5 -2.2 30 30 A L H < S+ 0 0 114 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.753 138.0 10.8 -77.6 -25.8 13.8 11.2 -1.1 31 31 A D >< + 0 0 82 -4,-1.5 3,-0.5 -5,-0.1 -1,-0.3 -0.651 60.9 174.3-156.9 93.3 17.4 12.0 -2.0 32 32 A P T 3 + 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.153 62.8 84.7 -88.5 21.5 19.5 9.6 -4.1 33 33 A R T 3 + 0 0 69 4,-0.0 2,-0.6 31,-0.0 3,-0.1 0.286 58.4 104.5-108.5 12.5 22.5 11.8 -4.6 34 34 A S <> - 0 0 38 -3,-0.5 4,-1.8 1,-0.2 5,-0.2 -0.841 48.0-165.1-100.4 121.1 24.6 11.2 -1.4 35 35 A A H > S+ 0 0 26 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.845 94.7 57.1 -66.5 -33.2 27.7 9.0 -1.7 36 36 A E H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 105.5 48.1 -62.9 -48.8 27.6 8.7 2.1 37 37 A A H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.900 113.1 47.2 -59.9 -44.4 24.0 7.4 2.1 38 38 A W H X S+ 0 0 51 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.895 111.7 52.7 -63.9 -40.7 24.7 4.7 -0.5 39 39 A Y H X S+ 0 0 53 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.920 110.3 45.9 -60.5 -48.6 27.9 3.8 1.3 40 40 A N H X S+ 0 0 30 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.841 109.0 55.0 -67.2 -33.8 26.2 3.2 4.7 41 41 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.883 109.7 48.3 -65.9 -36.5 23.4 1.2 3.1 42 42 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.907 109.9 52.3 -68.1 -40.4 26.0 -1.0 1.7 43 43 A N H X S+ 0 0 13 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.919 104.8 55.5 -61.0 -43.3 27.6 -1.2 5.1 44 44 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.935 111.0 44.2 -55.7 -46.5 24.3 -2.2 6.6 45 45 A Y H X>S+ 0 0 26 -4,-1.8 5,-2.0 2,-0.2 4,-0.8 0.908 110.9 55.7 -64.3 -41.1 24.1 -5.2 4.1 46 46 A Y H ><5S+ 0 0 66 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.978 110.5 43.0 -53.0 -60.2 27.8 -6.0 4.8 47 47 A K H 3<5S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.3 57.3 -54.9 -33.3 27.1 -6.3 8.6 48 48 A Q H 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.569 120.3-110.6 -75.6 -11.0 24.0 -8.2 7.7 49 49 A G T <<5S+ 0 0 34 -3,-2.2 2,-1.1 -4,-0.8 -3,-0.2 0.435 81.5 121.8 97.2 -1.3 26.0 -10.8 5.8 50 50 A D >< + 0 0 53 -5,-2.0 4,-1.8 1,-0.2 -1,-0.1 -0.660 25.5 167.2 -98.8 80.8 24.9 -10.0 2.2 51 51 A Y H > S+ 0 0 74 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.712 73.0 61.9 -64.9 -20.5 28.1 -9.1 0.5 52 52 A D H > S+ 0 0 128 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.989 108.9 36.8 -68.3 -61.4 26.3 -9.3 -2.8 53 53 A E H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.806 114.6 62.2 -60.8 -27.9 23.8 -6.5 -2.2 54 54 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.935 100.5 49.0 -64.2 -47.7 26.6 -4.7 -0.4 55 55 A I H X S+ 0 0 16 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.870 105.1 60.9 -60.6 -36.8 28.9 -4.5 -3.4 56 56 A E H X S+ 0 0 114 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.916 111.8 37.5 -56.2 -45.2 26.0 -3.1 -5.5 57 57 A Y H X S+ 0 0 54 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.800 111.9 55.1 -79.9 -32.4 25.7 -0.1 -3.1 58 58 A Y H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.841 109.5 53.3 -66.9 -30.0 29.4 0.5 -2.5 59 59 A Q H X S+ 0 0 68 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.901 105.9 49.3 -70.6 -42.5 29.5 0.7 -6.3 60 60 A K H X S+ 0 0 18 -4,-1.3 4,-1.6 1,-0.2 3,-0.2 0.908 112.1 50.4 -62.9 -40.5 26.8 3.4 -6.6 61 61 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.885 105.1 56.6 -64.4 -39.4 28.7 5.4 -3.9 62 62 A L H < S+ 0 0 13 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.836 103.6 54.1 -63.0 -32.6 31.9 5.0 -5.8 63 63 A E H < S+ 0 0 144 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.952 111.1 44.5 -64.0 -50.2 30.4 6.6 -9.0 64 64 A L H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.795 135.6 17.3 -64.8 -30.8 29.3 9.6 -7.0 65 65 A D >< + 0 0 67 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.3 -0.559 64.5 172.4-145.6 79.9 32.7 9.7 -5.3 66 66 A P T 3 S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.537 80.9 60.5 -61.8 -11.4 35.5 7.7 -7.1 67 67 A R T 3 S+ 0 0 65 -5,-0.1 2,-0.9 31,-0.0 3,-0.1 0.325 71.7 117.0-102.6 8.1 38.1 9.1 -4.7 68 68 A S <> - 0 0 17 -3,-1.7 4,-1.3 1,-0.2 5,-0.1 -0.674 44.2-169.9 -80.5 106.5 36.5 7.7 -1.5 69 69 A A H >> S+ 0 0 18 -2,-0.9 4,-3.1 1,-0.2 3,-0.9 0.963 82.6 61.0 -59.5 -53.3 39.1 5.3 -0.1 70 70 A E H 3> S+ 0 0 112 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.855 106.2 46.2 -41.2 -49.2 36.6 4.0 2.5 71 71 A A H 3> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.830 114.2 47.4 -67.9 -32.7 34.3 2.7 -0.2 72 72 A W H X>S+ 0 0 46 -4,-1.8 3,-2.5 2,-0.2 5,-1.6 0.949 112.8 54.6 -65.8 -50.8 35.1 -9.4 -1.8 80 80 A Y H ><5S+ 0 0 68 -4,-4.0 3,-1.8 1,-0.3 -2,-0.2 0.928 107.6 51.5 -46.4 -52.2 37.8 -10.5 0.7 81 81 A K T 3<5S+ 0 0 46 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.546 110.8 49.3 -64.4 -9.1 35.0 -11.8 2.9 82 82 A Q T <45S- 0 0 69 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.364 121.8-103.6-110.5 1.1 33.5 -13.7 -0.1 83 83 A G T <<5S+ 0 0 42 -3,-1.8 2,-2.2 -4,-0.7 3,-0.2 0.318 82.9 127.3 96.0 -9.1 36.8 -15.3 -1.1 84 84 A D >< + 0 0 35 -5,-1.6 4,-2.2 1,-0.2 5,-0.2 -0.511 22.0 158.6 -82.5 72.7 37.7 -13.1 -4.1 85 85 A Y H > S+ 0 0 69 -2,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.731 70.8 54.8 -66.3 -24.6 41.1 -12.2 -2.7 86 86 A D H > S+ 0 0 68 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 112.0 38.9 -75.5 -52.6 42.2 -11.3 -6.3 87 87 A E H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.839 117.5 52.4 -67.0 -31.6 39.4 -8.7 -6.9 88 88 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.854 104.9 54.7 -72.0 -35.4 39.7 -7.5 -3.4 89 89 A I H X S+ 0 0 14 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.934 109.0 49.3 -61.8 -44.9 43.5 -7.1 -3.8 90 90 A E H X S+ 0 0 47 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.977 115.1 42.0 -56.7 -58.4 42.8 -4.9 -6.8 91 91 A Y H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.836 114.2 53.5 -59.2 -33.6 40.2 -2.8 -4.9 92 92 A Y H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.891 108.0 50.0 -67.2 -41.5 42.5 -2.8 -1.8 93 93 A Q H X S+ 0 0 100 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.911 107.8 54.3 -63.3 -40.7 45.4 -1.4 -4.0 94 94 A K H X S+ 0 0 77 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.910 105.5 52.7 -60.0 -42.6 43.0 1.3 -5.3 95 95 A A H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.834 108.9 50.7 -63.3 -30.9 42.2 2.4 -1.8 96 96 A L H < S+ 0 0 18 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.805 101.7 58.0 -78.0 -30.9 46.0 2.7 -1.0 97 97 A E H < S+ 0 0 152 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.910 115.0 41.8 -62.1 -37.1 46.7 4.8 -4.1 98 98 A L H < S+ 0 0 62 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.936 134.8 15.6 -73.6 -49.5 44.1 7.1 -2.5 99 99 A D >< + 0 0 39 -4,-2.8 3,-1.3 -5,-0.1 -1,-0.2 -0.620 66.9 171.2-129.2 76.3 45.3 6.8 1.2 100 100 A P T 3 S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.243 74.2 62.3 -69.0 13.7 48.8 5.3 1.3 101 101 A R T 3 + 0 0 78 31,-0.0 2,-0.8 -5,-0.0 3,-0.1 0.035 69.9 115.4-126.5 22.9 49.2 6.0 5.0 102 102 A S <> - 0 0 47 -3,-1.3 4,-1.5 1,-0.2 5,-0.2 -0.867 48.7-164.6 -95.2 109.6 46.4 3.8 6.2 103 103 A A H > S+ 0 0 21 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.825 87.6 60.0 -64.1 -29.7 48.0 1.0 8.2 104 104 A E H > S+ 0 0 43 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.916 102.6 47.9 -64.8 -46.9 44.7 -0.9 7.9 105 105 A A H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 114.4 46.8 -63.8 -39.0 44.7 -1.1 4.1 106 106 A W H X S+ 0 0 59 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.903 114.5 48.3 -66.3 -44.1 48.3 -2.3 4.0 107 107 A Y H X S+ 0 0 125 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.945 112.8 47.0 -61.0 -51.4 47.6 -4.8 6.8 108 108 A N H X S+ 0 0 23 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.798 109.5 54.8 -64.0 -29.0 44.5 -6.1 5.0 109 109 A L H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.899 107.3 49.2 -70.7 -41.5 46.4 -6.3 1.7 110 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.903 110.7 53.1 -62.0 -38.0 49.0 -8.5 3.4 111 111 A N H X S+ 0 0 22 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 106.3 51.2 -62.5 -43.5 46.1 -10.5 4.7 112 112 A A H < S+ 0 0 0 -4,-2.1 4,-0.2 2,-0.2 -1,-0.2 0.855 114.7 43.0 -64.1 -36.5 44.6 -11.0 1.3 113 113 A Y H >X>S+ 0 0 35 -4,-1.9 5,-2.1 2,-0.2 3,-1.9 0.925 110.5 55.8 -73.6 -45.9 48.0 -12.2 -0.1 114 114 A Y H ><5S+ 0 0 130 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.927 104.8 53.1 -50.0 -50.5 48.7 -14.4 3.0 115 115 A K T 3<5S+ 0 0 43 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.600 108.7 50.9 -64.1 -12.4 45.3 -16.2 2.4 116 116 A Q T <45S- 0 0 82 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.425 122.2-104.2-103.0 -3.3 46.4 -16.9 -1.2 117 117 A G T <<5S+ 0 0 32 -3,-1.9 2,-1.4 -4,-0.6 -3,-0.2 0.465 79.5 132.8 94.6 2.1 49.8 -18.4 -0.2 118 118 A D >< + 0 0 56 -5,-2.1 4,-1.8 1,-0.2 3,-0.2 -0.629 21.8 164.1 -89.0 82.2 51.8 -15.3 -1.2 119 119 A Y H > + 0 0 130 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.757 66.7 58.0 -73.8 -28.9 54.0 -14.9 1.9 120 120 A D H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 112.2 43.6 -70.7 -31.4 56.7 -12.6 0.6 121 121 A E H > S+ 0 0 54 2,-0.2 4,-3.1 -3,-0.2 5,-0.3 0.903 113.0 50.8 -74.7 -45.3 54.0 -10.0 -0.3 122 122 A A H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.959 111.9 49.4 -55.4 -50.4 52.2 -10.6 3.0 123 123 A I H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.931 111.7 47.7 -54.4 -50.0 55.6 -10.1 4.7 124 124 A E H X S+ 0 0 51 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.929 117.0 42.2 -59.7 -46.8 56.3 -6.8 2.7 125 125 A Y H X S+ 0 0 58 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.862 111.1 54.4 -70.2 -37.4 52.9 -5.4 3.4 126 126 A Y H X S+ 0 0 75 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.882 111.1 47.8 -62.7 -37.9 52.7 -6.4 7.1 127 127 A Q H X S+ 0 0 135 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.908 109.6 51.5 -69.3 -42.2 56.1 -4.6 7.5 128 128 A K H X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.949 112.4 47.7 -58.2 -47.5 54.8 -1.5 5.7 129 129 A A H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 108.7 51.6 -60.8 -45.3 51.8 -1.5 8.0 130 130 A L H < S+ 0 0 52 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.792 104.4 59.6 -65.1 -27.7 53.7 -2.0 11.2 131 131 A E H < S+ 0 0 74 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.982 111.7 39.1 -61.4 -55.0 56.0 0.9 10.3 132 132 A L H < S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.839 133.5 24.6 -63.0 -40.2 52.9 3.2 10.1 133 133 A D S >< S- 0 0 96 -4,-2.6 3,-0.8 -5,-0.2 -1,-0.3 -0.614 77.9-165.8-131.6 74.9 51.2 1.7 13.2 134 134 A P T 3 S+ 0 0 101 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.348 70.4 29.6 -36.0 -13.3 54.0 0.1 15.4 135 135 A R T 3 0 0 85 -2,-0.2 -5,-0.1 -4,-0.0 -4,-0.0 0.030 360.0 360.0-157.3 56.7 52.0 -2.0 17.7 136 136 A S < 0 0 137 -3,-0.8 -3,-0.0 -6,-0.0 -6,-0.0 -0.704 360.0 360.0 -73.0 360.0 48.7 -3.5 17.0