==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 29-MAR-13 4JYC . COMPND 2 MOLECULE: METHYLMALONYL-COA MUTASE ACCESSORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR M.KOUTMOS,M.LOFGREN,D.PADOVANI,R.BANERJEE . 1264 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 943 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.1 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 . 63 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 568 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 1 5 1 0 0 4 1 3 5 0 5 4 2 9 2 1 0 0 0 0 1 1 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 14 5 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 PARALLEL BRIDGES PER LADDER . 3 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 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 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 6 A P 0 0 105 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 124.5 -48.5 17.7 -14.4 2 7 A D > - 0 0 105 1,-0.2 4,-1.3 2,-0.1 5,-0.1 -0.390 360.0-162.1 -60.3 117.2 -48.3 14.1 -15.7 3 8 A M H > S+ 0 0 42 -2,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.832 83.5 52.1 -76.7 -31.7 -47.4 12.1 -12.6 4 9 A D H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.7 45.6 -69.5 -44.3 -46.1 8.9 -14.3 5 10 A T H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 111.7 53.2 -62.9 -36.4 -43.7 10.9 -16.5 6 11 A L H X S+ 0 0 18 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.966 109.5 48.9 -62.9 -49.5 -42.7 12.8 -13.4 7 12 A R H X S+ 0 0 66 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.896 110.6 49.6 -54.2 -48.4 -41.9 9.5 -11.6 8 13 A E H X S+ 0 0 130 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.875 112.8 46.2 -64.1 -40.4 -39.8 8.2 -14.5 9 14 A R H <>S+ 0 0 143 -4,-2.0 5,-3.2 2,-0.2 -2,-0.2 0.918 113.5 49.6 -68.8 -41.6 -37.7 11.3 -14.8 10 15 A L H ><5S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.963 111.5 48.6 -57.0 -52.8 -37.3 11.4 -11.0 11 16 A L H 3<5S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 108.5 55.8 -60.0 -24.2 -36.2 7.7 -11.0 12 17 A A T 3<5S- 0 0 87 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.310 124.7-103.4 -91.3 8.3 -33.8 8.6 -13.9 13 18 A G T < 5 + 0 0 38 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.624 59.7 165.7 86.1 14.8 -32.1 11.2 -11.7 14 19 A D >< - 0 0 69 -5,-3.2 4,-2.2 1,-0.2 3,-0.3 -0.528 25.7-156.1 -69.2 112.0 -33.7 14.3 -13.4 15 20 A R H > S+ 0 0 100 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.766 90.5 49.1 -62.5 -31.2 -33.0 17.1 -10.9 16 21 A A H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.788 109.3 52.5 -81.1 -29.3 -35.9 19.3 -12.1 17 22 A A H > S+ 0 0 4 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.914 110.6 48.6 -67.7 -41.3 -38.3 16.4 -11.8 18 23 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 111.7 48.3 -61.1 -49.4 -37.1 15.8 -8.3 19 24 A A H X S+ 0 0 26 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.856 111.2 52.1 -58.6 -36.7 -37.5 19.5 -7.4 20 25 A R H X S+ 0 0 118 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.924 110.2 46.5 -68.5 -47.1 -41.0 19.4 -8.9 21 26 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 113.2 49.8 -60.5 -40.6 -42.1 16.4 -6.8 22 27 A I H X S+ 0 0 0 -4,-2.4 4,-3.7 2,-0.2 5,-0.2 0.901 107.8 54.1 -66.9 -40.1 -40.6 18.0 -3.6 23 28 A T H X S+ 0 0 68 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.916 109.2 48.1 -60.1 -44.2 -42.4 21.2 -4.4 24 29 A L H < S+ 0 0 5 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.904 114.5 46.2 -60.1 -41.2 -45.7 19.2 -4.6 25 30 A A H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.0 47.8 -71.4 -39.7 -44.8 17.5 -1.3 26 31 A E H < S+ 0 0 33 -4,-3.7 94,-0.3 -5,-0.1 -1,-0.2 0.669 88.6 120.7 -66.9 -20.6 -43.8 20.7 0.4 27 32 A S < - 0 0 18 -4,-1.1 -3,-0.1 -3,-0.3 6,-0.0 -0.027 61.1-145.8 -55.0 151.0 -47.0 22.4 -0.9 28 33 A R S S+ 0 0 162 66,-0.1 2,-0.4 93,-0.1 -1,-0.1 0.443 75.5 97.0 -90.6 -2.8 -49.4 23.9 1.7 29 34 A R S > S- 0 0 122 1,-0.1 4,-2.1 -5,-0.1 3,-0.3 -0.754 71.1-143.5 -90.1 132.4 -52.3 22.9 -0.7 30 35 A A H > S+ 0 0 62 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.863 98.4 53.9 -62.7 -39.3 -54.1 19.7 0.1 31 36 A D H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.833 109.5 49.9 -67.9 -29.3 -54.7 18.7 -3.5 32 37 A H H > S+ 0 0 71 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.968 111.5 46.4 -71.4 -53.1 -51.0 19.1 -4.3 33 38 A R H < S+ 0 0 51 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.934 111.4 53.7 -51.2 -48.7 -49.9 17.0 -1.3 34 39 A A H >X S+ 0 0 53 -4,-2.7 3,-1.8 1,-0.2 4,-0.8 0.912 104.2 55.1 -58.0 -45.0 -52.4 14.3 -2.2 35 40 A A H >X S+ 0 0 45 -4,-1.8 3,-0.6 1,-0.3 4,-0.5 0.922 110.4 43.1 -54.6 -50.1 -51.2 14.0 -5.9 36 41 A V H 3X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.280 95.5 83.8 -83.8 14.5 -47.6 13.3 -5.0 37 42 A R H <> S+ 0 0 19 -3,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.918 92.4 44.5 -81.2 -46.7 -48.7 10.9 -2.2 38 43 A D H < S+ 0 0 26 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.945 110.2 52.1 -60.0 -50.1 -45.5 5.2 -2.1 42 47 A A H 3< S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 114.6 42.2 -53.0 -40.7 -44.9 3.8 -5.5 43 48 A V H >< S+ 0 0 3 -4,-1.7 3,-2.0 1,-0.2 -1,-0.3 0.436 84.7 105.4 -90.2 0.1 -41.2 4.7 -5.3 44 49 A L G X< S+ 0 0 12 -3,-1.4 3,-2.5 -4,-0.5 -1,-0.2 0.854 71.1 59.7 -53.1 -43.9 -40.8 3.6 -1.6 45 50 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 102.4 55.9 -62.8 -15.4 -38.9 0.4 -2.4 46 51 A Q G < S+ 0 0 81 -3,-2.0 96,-0.2 -4,-0.1 3,-0.2 0.182 96.0 87.8 -93.9 10.4 -36.2 2.5 -4.1 47 52 A T < + 0 0 23 -3,-2.5 89,-0.1 1,-0.1 90,-0.1 -0.521 63.6 48.5-101.6 174.3 -35.7 4.6 -1.0 48 53 A G + 0 0 15 -2,-0.2 2,-1.9 1,-0.1 -1,-0.1 0.213 64.6 118.4 90.6 -13.6 -33.4 4.1 2.1 49 54 A R + 0 0 171 -3,-0.2 2,-0.3 90,-0.1 -1,-0.1 -0.487 61.7 83.4 -89.3 71.1 -30.1 3.3 0.4 50 55 A A S S- 0 0 5 -2,-1.9 2,-0.6 95,-0.0 95,-0.2 -0.991 81.4-106.0-163.1 154.6 -28.3 6.3 1.9 51 56 A I E -a 145 0A 21 93,-2.4 95,-2.6 -2,-0.3 2,-0.6 -0.856 32.1-157.1 -91.6 123.1 -26.6 7.7 4.9 52 57 A R E +a 146 0A 6 -2,-0.6 113,-1.9 93,-0.2 114,-1.0 -0.903 16.1 179.4-102.5 117.8 -28.8 10.1 6.7 53 58 A V E -ab 147 166A 0 93,-2.7 95,-2.9 -2,-0.6 2,-0.4 -0.978 16.8-154.0-126.5 130.2 -26.8 12.5 8.9 54 59 A G E -ab 148 167A 0 112,-2.9 114,-3.5 -2,-0.4 2,-0.4 -0.827 15.0-166.6-103.3 140.9 -28.1 15.3 11.0 55 60 A I E +ab 149 168A 2 93,-2.7 95,-1.9 -2,-0.4 2,-0.3 -0.987 13.8 162.3-136.9 127.4 -25.8 18.2 11.7 56 61 A T E - b 0 169A 5 112,-2.0 114,-2.6 -2,-0.4 2,-0.3 -0.916 9.4-176.3-135.9 164.4 -26.1 21.0 14.2 57 62 A G E - b 0 170A 17 -2,-0.3 114,-0.2 112,-0.2 3,-0.1 -0.988 32.7 -87.8-163.2 154.7 -23.7 23.5 15.7 58 63 A V - 0 0 46 112,-1.3 2,-0.4 -2,-0.3 5,-0.2 -0.241 58.5 -91.7 -58.9 142.2 -23.2 26.3 18.2 59 64 A P S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.472 104.0 38.2 -57.3 117.8 -24.1 29.8 17.0 60 65 A G S S+ 0 0 67 -2,-0.4 2,-0.8 -3,-0.1 3,-0.1 -0.842 91.0 55.6 147.9-101.7 -20.8 31.1 15.7 61 66 A V S S- 0 0 90 -2,-0.3 127,-0.1 1,-0.2 -3,-0.1 -0.762 94.2 -39.1-111.0 107.5 -18.3 29.2 13.8 62 67 A G > + 0 0 14 -2,-0.8 4,-2.5 -5,-0.1 5,-0.2 0.188 66.2 128.3 118.8 16.6 -18.3 27.2 10.9 63 68 A K H > S+ 0 0 44 -5,-0.2 4,-2.6 1,-0.2 5,-0.2 0.949 83.4 45.0 -64.4 -56.1 -21.3 25.1 10.2 64 69 A S H > S+ 0 0 33 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.926 117.6 44.4 -50.8 -50.4 -22.0 26.2 6.6 65 70 A T H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 113.3 51.8 -70.0 -33.7 -18.4 26.1 5.5 66 71 A T H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.901 112.7 44.9 -63.5 -44.6 -17.9 22.7 7.2 67 72 A I H X S+ 0 0 2 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.933 111.5 53.1 -65.7 -46.1 -20.9 21.3 5.4 68 73 A D H X S+ 0 0 10 -4,-3.2 4,-3.7 -5,-0.2 5,-0.2 0.966 114.7 42.5 -49.6 -51.2 -19.8 22.8 2.1 69 74 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 116.7 45.3 -65.5 -45.5 -16.4 21.1 2.6 70 75 A L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.948 116.3 48.6 -61.9 -48.0 -17.8 17.8 3.8 71 76 A G H X S+ 0 0 0 -4,-3.6 4,-2.2 -5,-0.2 -2,-0.2 0.944 110.8 48.8 -51.4 -54.5 -20.3 18.0 1.0 72 77 A S H X S+ 0 0 15 -4,-3.7 4,-2.4 -5,-0.3 5,-0.2 0.894 109.0 54.7 -59.7 -39.4 -17.6 18.8 -1.6 73 78 A L H X S+ 0 0 57 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.907 109.3 46.8 -58.2 -42.7 -15.5 15.9 -0.4 74 79 A L H <>S+ 0 0 5 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.884 112.7 47.7 -75.2 -35.2 -18.3 13.4 -0.8 75 80 A T H ><5S+ 0 0 13 -4,-2.2 3,-3.2 3,-0.2 -2,-0.2 0.972 109.1 53.4 -65.2 -49.8 -19.3 14.6 -4.4 76 81 A A H 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.7 55.8 -56.1 -27.4 -15.7 14.6 -5.5 77 82 A A T 3<5S- 0 0 71 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.350 132.6 -91.2 -85.7 5.6 -15.6 11.0 -4.2 78 83 A G T < 5S+ 0 0 63 -3,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.514 83.6 130.3 102.6 6.1 -18.6 10.0 -6.4 79 84 A H < - 0 0 46 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.3 -0.432 52.5-134.9 -93.6 165.2 -21.5 10.7 -4.1 80 85 A K - 0 0 88 62,-0.2 65,-2.1 -2,-0.1 64,-0.9 -0.990 27.6-161.1-121.6 120.7 -24.8 12.6 -4.6 81 86 A V E -cd 113 145A 0 31,-1.6 33,-2.5 -2,-0.5 2,-0.4 -0.884 13.3-168.1-119.6 120.2 -25.5 14.9 -1.6 82 87 A A E -cd 114 146A 0 63,-3.0 65,-3.3 -2,-0.5 2,-0.5 -0.868 6.2-163.5-100.6 139.5 -28.7 16.5 -0.5 83 88 A V E -cd 115 147A 0 31,-2.6 33,-1.9 -2,-0.4 2,-0.4 -0.968 11.0-173.4-125.4 111.3 -28.6 19.1 2.1 84 89 A L E -cd 116 148A 5 63,-2.7 65,-2.5 -2,-0.5 2,-0.4 -0.907 12.4-142.9-114.1 132.8 -32.0 19.8 3.7 85 90 A A E - d 0 149A 5 31,-2.1 2,-0.5 -2,-0.4 65,-0.2 -0.734 8.3-165.4 -95.9 139.1 -32.7 22.6 6.2 86 91 A V E + d 0 150A 0 63,-2.3 65,-2.7 -2,-0.4 66,-0.9 -0.995 17.6 165.5-116.8 124.7 -35.1 22.4 9.2 87 92 A D > - 0 0 29 -2,-0.5 3,-1.5 64,-0.2 4,-0.1 -0.977 32.3-148.7-141.2 120.1 -36.0 25.7 10.7 88 93 A P G > S+ 0 0 18 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.646 93.3 71.2 -66.4 -14.3 -38.9 26.1 13.2 89 94 A S G > S+ 0 0 37 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.665 77.3 78.2 -77.4 -15.7 -39.5 29.7 12.0 90 95 A S G < S+ 0 0 6 -3,-1.5 31,-1.0 1,-0.3 -1,-0.3 0.535 80.5 70.5 -67.6 -1.8 -40.9 28.3 8.7 91 96 A T G < S+ 0 0 43 -3,-1.2 -1,-0.3 29,-0.2 -2,-0.2 0.582 104.0 41.8 -78.3 -10.7 -44.0 27.6 10.8 92 97 A R S < S+ 0 0 192 -3,-2.3 -2,-0.2 -4,-0.1 2,-0.2 0.384 116.3 49.4-115.6 -4.3 -44.4 31.4 10.8 93 98 A T S S- 0 0 73 -4,-0.5 28,-0.2 28,-0.1 3,-0.1 -0.514 85.2-115.3-112.5-171.0 -43.5 32.1 7.1 94 99 A G - 0 0 41 1,-0.5 26,-0.2 -2,-0.2 2,-0.2 0.079 65.2-103.1-110.9 19.0 -44.7 30.5 3.9 95 100 A G - 0 0 33 24,-0.2 -1,-0.5 26,-0.1 2,-0.4 -0.478 40.4 -73.0 94.5-165.9 -41.3 29.2 3.1 96 101 A S - 0 0 68 22,-0.3 4,-0.1 -2,-0.2 24,-0.1 -0.998 22.5-160.9-136.4 136.9 -38.6 30.3 0.7 97 102 A I S S+ 0 0 168 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.928 98.0 21.6 -80.2 -51.3 -38.6 30.0 -3.1 98 103 A L S S- 0 0 143 1,-0.2 3,-0.4 18,-0.1 2,-0.3 0.785 93.0-164.0 -86.3 -33.3 -34.9 30.5 -3.7 99 104 A G - 0 0 24 1,-0.2 -1,-0.2 17,-0.1 -2,-0.1 -0.607 41.3 -70.6 81.7-140.8 -33.7 29.5 -0.2 100 105 A D > + 0 0 100 -2,-0.3 3,-1.2 -4,-0.1 4,-0.2 -0.316 66.5 153.2-148.7 58.6 -30.1 30.4 0.8 101 106 A K G > + 0 0 93 -3,-0.4 3,-1.2 1,-0.2 7,-0.2 0.735 61.3 64.6 -71.4 -25.6 -28.0 28.2 -1.3 102 107 A T G 3 S+ 0 0 111 1,-0.3 3,-0.3 6,-0.1 -1,-0.2 0.349 73.6 86.3 -86.8 5.6 -24.7 30.3 -1.5 103 108 A R G < S+ 0 0 60 -3,-1.2 2,-0.5 1,-0.3 -1,-0.3 0.682 98.2 48.1 -65.1 -19.7 -24.0 30.1 2.3 104 109 A M S <> S- 0 0 0 -3,-1.2 4,-2.0 -4,-0.2 -1,-0.3 -0.859 83.4-175.3-118.4 91.4 -22.4 26.9 0.9 105 110 A A H > S+ 0 0 66 -2,-0.5 4,-0.5 -3,-0.3 -1,-0.1 0.875 75.2 40.8 -63.0 -47.7 -20.4 28.3 -2.1 106 111 A R H >> S+ 0 0 126 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.936 117.4 46.5 -69.2 -46.1 -19.0 25.1 -3.7 107 112 A L H 34 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 6,-0.2 0.813 99.6 70.2 -65.2 -31.3 -22.2 22.9 -3.3 108 113 A A H 3< S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 113.6 28.3 -56.8 -28.3 -24.3 25.8 -4.6 109 114 A I H << S+ 0 0 147 -3,-1.1 2,-0.8 -4,-0.5 -1,-0.3 0.411 92.7 115.2-109.9 -6.3 -22.8 25.1 -8.0 110 115 A D >< - 0 0 34 -4,-0.8 3,-2.3 -3,-0.3 -3,-0.0 -0.563 54.6-156.5 -72.3 110.3 -22.1 21.4 -7.6 111 116 A R T 3 S+ 0 0 193 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.1 0.696 92.7 57.5 -61.9 -21.6 -24.3 19.7 -10.1 112 117 A N T 3 S+ 0 0 46 -32,-0.0 -31,-1.6 -33,-0.0 2,-0.3 0.183 97.8 79.1 -93.1 14.5 -24.1 16.5 -7.9 113 118 A A E < -c 81 0A 2 -3,-2.3 2,-0.4 -6,-0.2 -31,-0.2 -0.903 60.6-160.4-121.1 153.3 -25.5 18.4 -4.9 114 119 A F E -c 82 0A 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31.0 303 317 A A H 3> S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 108.8 52.6 -69.1 -35.3 -58.5 19.8 30.7 304 318 A A H <> S+ 0 0 22 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.933 112.1 47.0 -64.3 -43.2 -61.1 22.6 30.5 305 319 A G H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 112.3 51.2 -59.8 -43.8 -59.0 24.1 27.7 306 320 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.859 109.2 48.0 -64.3 -39.8 -58.8 20.7 26.0 307 321 A D H X S+ 0 0 29 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 108.9 54.3 -73.5 -34.9 -62.5 20.1 26.1 308 322 A A H X S+ 0 0 50 -4,-2.2 4,-1.1 -5,-0.2 3,-0.3 0.972 112.0 45.0 -59.6 -49.0 -63.3 23.5 24.7 309 323 A I H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.6 0.916 109.6 55.3 -60.4 -41.7 -60.9 22.7 21.8 310 324 A A H 3< S+ 0 0 21 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.863 103.8 56.0 -58.4 -37.0 -62.4 19.2 21.3 311 325 A T H 3< S+ 0 0 116 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.779 99.5 58.5 -69.3 -29.2 -65.9 20.7 21.0 312 326 A L H << 0 0 55 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.858 360.0 360.0 -68.1 -35.6 -64.9 23.0 18.1 313 327 A I < 0 0 72 -4,-1.1 -1,-0.1 -3,-0.2 -35,-0.0 -0.503 360.0 360.0 -66.0 360.0 -63.8 20.0 16.0 314 !* 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 0.0 315 3 B A 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.6 29.1 19.1 86.3 316 4 B T + 0 0 55 2,-0.1 33,-0.0 0, 0.0 0, 0.0 0.628 360.0 73.7-100.5 -16.2 26.2 19.7 84.0 317 5 B L S S- 0 0 65 1,-0.0 3,-0.1 24,-0.0 32,-0.0 -0.796 73.5-136.7 -96.3 136.1 24.9 16.1 84.0 318 6 B P - 0 0 43 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.223 53.5 -66.9 -74.1 179.4 23.0 14.5 86.9 319 7 B D > - 0 0 96 1,-0.1 4,-1.9 2,-0.0 5,-0.1 -0.624 50.7-153.7 -68.6 120.2 23.9 10.9 87.9 320 8 B M H > S+ 0 0 43 -2,-0.5 4,-1.9 2,-0.2 -1,-0.1 0.700 87.9 54.7 -80.9 -19.1 22.7 9.0 84.8 321 9 B D H > S+ 0 0 104 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.920 112.7 43.9 -73.9 -47.6 22.0 5.6 86.5 322 10 B T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.895 113.2 53.3 -61.0 -39.1 19.7 7.3 89.1 323 11 B L H X S+ 0 0 14 -4,-1.9 4,-2.3 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107.2 51.0 -67.0 -35.3 11.2 15.2 86.9 334 22 B A H > S+ 0 0 4 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.867 110.8 48.4 -71.8 -35.1 13.5 12.5 85.6 335 23 B L H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.955 111.1 49.9 -66.3 -52.1 11.7 12.4 82.3 336 24 B A H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 113.2 47.5 -50.3 -47.0 11.8 16.2 82.0 337 25 B R H X S+ 0 0 105 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.914 112.6 46.6 -66.2 -46.6 15.5 16.2 82.7 338 26 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 110.4 54.7 -59.7 -41.2 16.2 13.4 80.3 339 27 B I H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.935 103.9 54.2 -61.3 -44.5 14.1 15.1 77.6 340 28 B T H X S+ 0 0 77 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.885 108.0 50.9 -54.0 -41.6 16.2 18.3 78.0 341 29 B L H < S+ 0 0 1 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.878 110.3 49.3 -63.2 -37.5 19.3 16.3 77.3 342 30 B A H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 112.7 45.8 -71.5 -36.3 17.8 14.8 74.2 343 31 B E H < S+ 0 0 29 -4,-2.6 94,-0.4 -5,-0.2 -1,-0.2 0.631 92.0 123.3 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19.3 79.0 425 113 B A G 3< S+ 0 0 32 -4,-2.5 -1,-0.3 -7,-0.3 -2,-0.2 0.731 110.1 29.2 -51.4 -29.1 -1.3 22.2 80.1 426 114 B I G < S+ 0 0 147 -3,-1.5 2,-0.6 -4,-0.4 -1,-0.3 0.372 93.5 109.6-114.0 7.5 -2.1 21.3 83.7 427 115 B D X - 0 0 35 -3,-1.4 3,-2.1 -4,-0.5 -4,-0.0 -0.718 53.5-158.0 -92.5 115.5 -2.9 17.6 83.4 428 116 B R T 3 S+ 0 0 158 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.602 93.1 66.9 -66.5 -12.3 -0.1 15.5 85.1 429 117 B N T 3 S+ 0 0 59 -32,-0.1 -31,-2.1 -5,-0.0 -1,-0.3 0.417 99.4 64.6 -86.7 -1.1 -1.2 12.6 82.9 430 118 B A E < -k 398 0D 0 -3,-2.1 2,-0.3 -6,-0.2 -31,-0.2 -0.792 63.4-162.7-114.5 163.9 0.0 14.6 79.9 431 119 B F E -k 399 0D 14 -33,-1.8 -31,-2.4 -2,-0.3 2,-0.4 -0.915 12.1-169.7-147.0 122.1 3.4 15.8 78.9 432 120 B I E +k 400 0D 12 -2,-0.3 -31,-0.2 -33,-0.2 -14,-0.1 -0.908 9.3 169.9-123.9 136.0 3.9 18.6 76.3 433 121 B R E -k 401 0D 36 -33,-2.0 -31,-1.2 -2,-0.4 -17,-0.1 -0.996 24.0-132.4-144.0 143.2 7.0 19.8 74.5 434 122 B P - 0 0 25 0, 0.0 -32,-0.1 0, 0.0 -21,-0.0 -0.252 52.5 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4.7 61.9 951 324 C A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 5,-0.3 0.929 109.0 54.6 -59.2 -48.5 29.5 8.4 62.2 952 325 C T H 3< S+ 0 0 88 -4,-2.5 -1,-0.2 4,-0.3 -2,-0.2 0.935 104.3 52.0 -46.4 -57.3 32.6 7.4 64.2 953 326 C L T 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.429 112.4 50.5 -81.1 8.0 33.9 4.9 61.7 954 327 C I S < S- 0 0 23 -3,-1.4 -3,-0.1 -4,-0.4 -39,-0.0 -0.091 119.7 -89.1 -94.9-145.8 33.7 7.6 59.0 955 328 C G 0 0 40 -2,-0.1 -3,-0.1 1,-0.1 -4,-0.1 0.676 360.0 360.0 -96.0 -20.2 35.4 10.9 60.2 956 329 C L 0 0 30 -5,-0.3 -4,-0.3 -6,-0.1 -5,-0.1 0.776 360.0 360.0 -59.5 360.0 32.3 12.4 61.8 957 !* 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 0.0 958 6 D P 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 -73.0 13.0 44.0 959 7 D D > - 0 0 91 1,-0.1 4,-0.6 4,-0.0 0, 0.0 -0.395 360.0-161.8 -73.4 148.6 -73.3 16.8 44.6 960 8 D M H > S+ 0 0 40 2,-0.2 4,-1.4 3,-0.1 -1,-0.1 0.487 76.7 68.7-112.7 -10.2 -70.4 19.0 43.7 961 9 D D H > S+ 0 0 120 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.946 108.4 39.1 -77.2 -51.5 -71.0 22.3 45.6 962 10 D T H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.968 112.4 56.9 -54.2 -58.4 -70.4 20.6 49.0 963 11 D L H X S+ 0 0 8 -4,-0.6 4,-2.7 1,-0.3 -1,-0.2 0.841 108.6 47.5 -49.1 -44.2 -67.5 18.5 47.7 964 12 D R H X S+ 0 0 92 -4,-1.4 4,-2.8 2,-0.2 -1,-0.3 0.946 110.7 50.0 -60.2 -54.4 -65.7 21.6 46.5 965 13 D E H X S+ 0 0 118 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.909 115.7 45.3 -49.0 -47.8 -66.3 23.4 49.8 966 14 D R H <>S+ 0 0 98 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.867 110.6 51.3 -66.2 -44.6 -64.9 20.3 51.6 967 15 D L H ><5S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.942 108.2 53.0 -62.3 -43.0 -61.9 19.8 49.3 968 16 D L H 3<5S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.2 57.2 -61.7 -27.6 -61.0 23.4 49.9 969 17 D A T 3<5S- 0 0 86 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.425 124.4-104.2 -83.2 1.2 -61.1 22.7 53.6 970 18 D G T < 5 + 0 0 35 -3,-2.0 2,-0.8 1,-0.3 -3,-0.2 0.743 60.6 165.5 83.9 22.9 -58.5 19.9 53.2 971 19 D D >< - 0 0 65 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5,-0.2 0.867 115.2 56.7 -64.4 -41.9 -63.0 -2.5 16.4 1242 297 D E H > S+ 0 0 160 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.948 115.1 37.4 -52.5 -50.1 -63.4 -1.5 12.8 1243 298 D V H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.844 114.0 54.3 -78.3 -33.5 -61.5 1.8 13.5 1244 299 D R H X S+ 0 0 117 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.922 110.6 48.0 -64.4 -41.1 -58.9 0.3 15.9 1245 300 D Q H X S+ 0 0 97 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.895 113.1 46.2 -67.7 -42.5 -58.0 -2.3 13.3 1246 301 D A H X S+ 0 0 35 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.911 111.2 52.0 -70.3 -40.7 -57.6 0.2 10.5 1247 302 D T H X S+ 0 0 13 -4,-2.4 4,-2.5 -10,-0.3 -2,-0.2 0.962 111.5 48.0 -54.5 -52.4 -55.6 2.5 12.7 1248 303 D A H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.824 111.2 50.9 -61.8 -35.7 -53.2 -0.4 13.6 1249 304 D E H X S+ 0 0 105 -4,-2.0 4,-2.6 2,-0.2 -1,-0.3 0.886 109.6 49.5 -68.3 -40.6 -53.0 -1.4 9.9 1250 305 D A H X S+ 0 0 10 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.937 113.1 46.3 -64.4 -44.1 -52.1 2.2 8.9 1251 306 D E H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 113.1 49.6 -66.9 -38.8 -49.4 2.4 11.6 1252 307 D R H X S+ 0 0 144 -4,-2.2 4,-2.3 1,-0.2 6,-0.3 0.882 105.2 57.9 -67.1 -39.0 -48.0 -1.0 10.6 1253 308 D A H <>S+ 0 0 15 -4,-2.6 5,-2.0 2,-0.2 6,-1.7 0.898 111.0 43.1 -52.7 -42.3 -47.9 -0.1 7.0 1254 309 D V H ><5S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.954 113.9 49.2 -71.7 -49.2 -45.6 2.9 7.9 1255 310 D A H 3<5S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 109.5 53.4 -57.1 -32.8 -43.5 0.9 10.3 1256 311 D G T 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.527 110.5-120.2 -82.6 -6.9 -43.0 -1.9 7.7 1257 312 D G T < 5S+ 0 0 41 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.712 84.0 117.2 70.6 22.5 -41.8 0.6 5.1 1258 313 D E S - 0 0 0 -2,-0.3 4,-2.7 -1223,-0.2 5,-0.2 -0.283 33.1-106.1 -77.6 157.5 -44.9 6.4 3.7 1261 316 D P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.912 121.7 48.3 -44.4 -48.7 -45.5 8.3 6.9 1262 317 D A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 109.3 51.8 -68.7 -35.4 -47.9 10.8 5.1 1263 318 D A H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 110.5 49.6 -61.7 -43.4 -49.8 8.0 3.4 1264 319 D G H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.903 111.7 49.4 -58.5 -41.6 -50.2 6.4 6.8 1265 320 D A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.895 107.7 52.2 -68.3 -42.5 -51.4 9.8 8.1 1266 321 D D H X S+ 0 0 43 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.898 108.6 52.0 -59.4 -44.4 -54.0 10.3 5.3 1267 322 D A H X S+ 0 0 49 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.941 113.0 44.3 -59.0 -45.5 -55.5 6.9 6.0 1268 323 D I H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.929 108.7 57.2 -65.5 -42.0 -55.8 7.9 9.7 1269 324 D A H >< S+ 0 0 28 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.879 106.0 51.9 -51.1 -42.9 -57.2 11.4 8.8 1270 325 D T H 3< S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 101.5 58.5 -65.5 -39.8 -60.0 9.6 6.9 1271 326 D L H 3< 0 0 55 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.707 360.0 360.0 -63.1 -19.6 -60.9 7.4 9.8 1272 327 D I << 0 0 64 -4,-0.9 -1,-0.1 -3,-0.7 -35,-0.0 -0.491 360.0 360.0 -66.8 360.0 -61.6 10.5 11.8