==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RACEMASE 06-JUL-93 2MNR . COMPND 2 MOLECULE: MANDELATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.J.NEIDHART,G.A.PETSKO . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 1 0 3 0 1 0 0 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 2 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 3 A E 0 0 211 0, 0.0 2,-0.5 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -69.8 41.4 30.2 -11.3 2 4 A V - 0 0 28 74,-0.1 74,-2.2 38,-0.1 2,-0.3 -0.805 360.0-174.1 -90.7 128.6 42.0 28.4 -7.9 3 5 A L B -A 75 0A 56 -2,-0.5 37,-2.6 72,-0.3 2,-0.5 -0.860 30.6-115.0-117.9 152.9 43.3 24.9 -8.8 4 6 A I E +B 39 0B 0 70,-2.3 69,-3.1 67,-0.3 35,-0.3 -0.768 33.4 179.5 -81.8 130.7 44.1 21.9 -6.6 5 7 A T E - 0 0 66 33,-2.8 2,-0.3 -2,-0.5 34,-0.2 0.614 54.6 -9.3-114.7 -12.5 47.9 21.5 -6.9 6 8 A G E -B 38 0B 20 32,-1.2 32,-1.9 65,-0.1 2,-0.4 -0.976 47.4-141.9-171.8 166.7 48.6 18.4 -4.7 7 9 A L E -B 37 0B 26 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.992 18.1-176.1-139.2 128.2 47.3 15.9 -2.2 8 10 A R E -B 36 0B 118 28,-2.4 28,-2.6 -2,-0.4 2,-0.3 -0.985 3.6-171.2-126.3 136.7 49.4 14.6 0.7 9 11 A T E -B 35 0B 8 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.964 7.3-169.8-129.5 150.1 48.3 12.0 3.2 10 12 A R E -B 34 0B 26 24,-1.8 24,-2.9 -2,-0.3 2,-0.4 -0.996 14.9-144.5-137.8 130.2 49.8 10.7 6.4 11 13 A A E +B 33 0B 2 346,-0.5 346,-2.4 -2,-0.4 2,-0.3 -0.799 25.7 174.6 -98.0 129.7 48.5 7.6 8.3 12 14 A V E -BC 32 356B 0 20,-2.4 20,-2.3 -2,-0.4 2,-0.5 -0.923 29.3-148.9-132.1 158.5 48.7 7.8 12.1 13 15 A N E -B 31 0B 41 342,-2.0 -2,-0.0 -2,-0.3 20,-0.0 -0.887 33.1-166.9-127.1 96.4 47.5 5.6 14.9 14 16 A V E -B 30 0B 0 16,-2.4 16,-2.6 -2,-0.5 2,-0.1 -0.577 20.7-107.7 -99.4 151.3 46.7 8.0 17.8 15 17 A P - 0 0 51 0, 0.0 307,-0.3 0, 0.0 14,-0.1 -0.370 25.6-173.3 -70.4 147.6 46.1 7.5 21.5 16 18 A L - 0 0 37 12,-0.4 2,-0.4 1,-0.1 13,-0.1 0.873 24.9-135.3-104.1 -53.7 42.6 7.9 22.8 17 19 A A S S+ 0 0 90 11,-0.3 -1,-0.1 0, 0.0 0, 0.0 -0.821 91.0 40.9 118.3 -73.7 42.5 7.7 26.6 18 20 A Y S S- 0 0 117 -2,-0.4 2,-0.1 -3,-0.1 11,-0.0 -0.896 89.5-129.6-106.0 120.6 39.5 5.4 27.0 19 21 A P - 0 0 49 0, 0.0 2,-1.3 0, 0.0 9,-0.2 -0.419 23.3-117.9 -61.5 138.1 39.4 2.5 24.5 20 22 A V E -E 27 0C 23 7,-2.4 7,-2.7 -2,-0.1 2,-0.4 -0.637 34.2-174.9 -87.4 95.7 36.0 2.2 22.8 21 23 A H E +E 26 0C 59 -2,-1.3 119,-2.6 5,-0.3 2,-0.3 -0.755 7.5 178.7 -85.7 137.6 34.6 -1.2 23.7 22 24 A T E > -E 25 0C 19 3,-2.5 3,-2.0 -2,-0.4 144,-0.1 -0.904 46.7 -99.9-132.7 166.8 31.3 -2.0 21.9 23 25 A A T 3 S+ 0 0 34 142,-0.4 3,-0.1 -2,-0.3 172,-0.1 0.590 124.8 44.2 -64.6 -6.7 29.1 -5.1 21.9 24 26 A V T 3 S- 0 0 96 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.233 129.0 -51.9-120.3 17.5 30.7 -6.1 18.6 25 27 A G E < -E 22 0C 41 -3,-2.0 -3,-2.5 2,-0.0 -1,-0.4 -0.774 60.2 -82.2 138.6 173.0 34.5 -5.4 19.4 26 28 A T E -E 21 0C 80 -5,-0.3 2,-0.7 -2,-0.2 -5,-0.3 -0.908 13.1-153.3-119.3 145.4 36.8 -2.7 20.7 27 29 A V E +E 20 0C 36 -7,-2.7 -7,-2.4 -2,-0.4 26,-0.1 -0.972 23.0 175.6-107.3 104.2 38.5 0.2 18.9 28 30 A G + 0 0 46 -2,-0.7 -12,-0.4 -9,-0.2 2,-0.3 0.713 64.0 8.1 -89.3 -24.9 41.6 0.6 21.1 29 31 A T S S- 0 0 57 -14,-0.1 -1,-0.1 -13,-0.1 -9,-0.1 -0.875 85.1-103.8-138.8 173.3 43.5 3.4 19.3 30 32 A A E -B 14 0B 0 -16,-2.6 -16,-2.4 -2,-0.3 2,-0.7 -0.905 20.2-154.3-110.9 114.7 42.3 5.6 16.4 31 33 A P E +B 13 0B 0 0, 0.0 20,-2.9 0, 0.0 21,-0.4 -0.780 29.6 175.4 -76.9 110.9 43.7 4.8 12.8 32 34 A L E -BD 12 50B 0 -20,-2.3 -20,-2.4 -2,-0.7 2,-0.5 -0.874 30.0-149.0-120.3 151.1 43.4 8.2 11.1 33 35 A V E -BD 11 49B 0 16,-1.9 16,-2.3 -2,-0.3 2,-0.4 -0.992 18.8-151.5-115.6 118.3 44.5 9.4 7.6 34 36 A L E -BD 10 48B 0 -24,-2.9 -24,-1.8 -2,-0.5 2,-0.4 -0.782 13.7-155.0 -89.6 133.1 45.4 13.1 7.7 35 37 A I E -BD 9 47B 0 12,-2.9 12,-1.7 -2,-0.4 2,-0.5 -0.937 14.9-170.8-121.4 134.0 44.8 14.9 4.4 36 38 A D E -BD 8 46B 7 -28,-2.6 -28,-2.4 -2,-0.4 2,-0.7 -0.989 4.8-167.8-122.5 117.3 46.5 18.1 3.0 37 39 A L E -BD 7 45B 0 8,-2.8 8,-2.7 -2,-0.5 2,-0.2 -0.910 12.0-157.0-107.3 109.4 45.0 19.5 -0.1 38 40 A A E -BD 6 44B 32 -32,-1.9 -33,-2.8 -2,-0.7 -32,-1.2 -0.619 9.7-162.9 -87.3 147.0 47.3 22.1 -1.6 39 41 A T E > -B 4 0B 7 4,-1.6 3,-1.7 -35,-0.3 -35,-0.2 -0.880 33.8-114.2-126.4 164.8 46.0 24.9 -3.9 40 42 A S T 3 S+ 0 0 62 -37,-2.6 -36,-0.1 -2,-0.3 -38,-0.1 0.675 112.3 68.1 -66.8 -16.1 47.3 27.4 -6.5 41 43 A A T 3 S- 0 0 52 -38,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.334 115.2-111.9 -84.8 6.4 46.2 30.1 -4.1 42 44 A G S < S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.728 81.1 117.7 74.7 13.0 48.8 29.1 -1.5 43 45 A V - 0 0 32 -4,-0.1 -4,-1.6 -6,-0.0 2,-0.5 -0.873 53.8-145.6-110.4 155.1 46.2 27.9 1.1 44 46 A V E -D 38 0B 55 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.968 6.6-144.4-120.9 119.3 46.2 24.3 2.2 45 47 A G E -D 37 0B 0 -8,-2.7 -8,-2.8 -2,-0.5 2,-0.4 -0.523 18.2-158.5 -80.8 144.4 42.9 22.5 3.0 46 48 A H E +D 36 0B 28 61,-0.2 2,-0.3 62,-0.2 -10,-0.2 -0.982 22.7 146.7-126.6 139.7 43.0 20.0 5.9 47 49 A S E -D 35 0B 3 -12,-1.7 -12,-2.9 -2,-0.4 2,-0.3 -0.931 26.2-144.8-151.7 172.2 40.7 17.0 6.8 48 50 A Y E -D 34 0B 5 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.982 5.0-147.2-140.0 157.0 41.1 13.6 8.4 49 51 A L E -D 33 0B 0 -16,-2.3 -16,-1.9 -2,-0.3 2,-0.5 -0.879 13.6-136.8-117.0 148.4 39.4 10.2 7.8 50 52 A F E -D 32 0B 12 -2,-0.3 -18,-0.2 -18,-0.2 3,-0.0 -0.954 10.9-166.1-108.0 127.1 38.8 7.6 10.5 51 53 A A - 0 0 4 -20,-2.9 2,-2.3 -2,-0.5 5,-0.2 0.543 17.7-147.6 -91.4 -8.8 39.6 4.1 9.4 52 54 A Y S S+ 0 0 57 -21,-0.4 -1,-0.1 3,-0.1 -20,-0.1 -0.215 77.1 36.7 70.0 -45.8 37.8 2.2 12.3 53 55 A T S > S- 0 0 59 -2,-2.3 3,-1.8 1,-0.1 4,-0.5 -0.996 78.2-127.1-137.6 143.5 40.3 -0.7 12.3 54 56 A P G >> S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.803 106.9 72.6 -51.5 -31.6 44.1 -0.8 11.7 55 57 A V G 34 S+ 0 0 130 1,-0.3 4,-0.3 2,-0.1 -3,-0.1 0.803 102.1 38.9 -56.5 -34.6 43.3 -3.4 9.1 56 58 A A G <> S+ 0 0 19 -3,-1.8 4,-2.0 -5,-0.2 -1,-0.3 0.487 94.3 90.1 -95.7 -2.1 41.9 -0.8 6.7 57 59 A L H <> S+ 0 0 5 -3,-1.2 4,-2.3 -4,-0.5 3,-0.3 0.968 88.8 38.5 -68.0 -57.1 44.4 2.0 7.4 58 60 A K H X S+ 0 0 143 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.858 115.4 56.3 -64.7 -30.2 47.2 1.5 4.9 59 61 A S H > S+ 0 0 68 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 107.7 47.7 -62.5 -41.5 44.6 0.5 2.2 60 62 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.3 5,-0.2 0.953 112.4 48.6 -68.0 -43.4 42.7 3.8 2.7 61 63 A K H X S+ 0 0 54 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.938 111.3 50.2 -60.5 -44.8 45.9 5.9 2.5 62 64 A Q H X S+ 0 0 103 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.890 108.8 52.7 -58.3 -41.6 47.0 4.0 -0.7 63 65 A L H X S+ 0 0 41 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.953 110.5 46.6 -62.3 -46.8 43.6 4.6 -2.3 64 66 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-0.3 0.929 111.4 52.5 -61.5 -41.6 43.9 8.4 -1.6 65 67 A D H < S+ 0 0 55 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.875 111.2 46.3 -63.7 -36.3 47.5 8.4 -3.0 66 68 A D H < S+ 0 0 111 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.756 109.4 55.1 -79.6 -19.5 46.4 6.7 -6.2 67 69 A M H >X S+ 0 0 4 -4,-1.7 3,-2.0 -3,-0.3 4,-0.8 0.761 83.8 87.3 -80.3 -23.9 43.4 9.1 -6.5 68 70 A A H >X S+ 0 0 19 -4,-1.6 4,-2.0 1,-0.3 3,-1.1 0.860 80.2 62.0 -42.9 -42.7 45.6 12.2 -6.4 69 71 A A H 34 S+ 0 0 89 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.815 99.9 52.7 -57.4 -33.0 46.2 12.1 -10.1 70 72 A M H <4 S+ 0 0 42 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.770 116.4 37.2 -81.5 -16.2 42.5 12.6 -11.0 71 73 A I H X< S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.8 -67,-0.3 0.677 86.5 104.6-104.4 -19.1 42.0 15.7 -8.8 72 74 A V T 3< S+ 0 0 43 -4,-2.0 -67,-0.2 1,-0.3 -65,-0.0 -0.410 91.8 17.2 -64.7 137.7 45.3 17.6 -9.3 73 75 A N T 3 S+ 0 0 110 -69,-3.1 -1,-0.3 1,-0.3 -68,-0.1 0.483 96.7 124.7 73.1 11.8 44.8 20.6 -11.7 74 76 A E S < S- 0 0 73 -3,-1.9 -70,-2.3 -70,-0.2 -1,-0.3 -0.702 73.2 -94.5 -89.7 150.2 41.1 20.5 -11.2 75 77 A P B -A 3 0A 70 0, 0.0 2,-2.0 0, 0.0 -72,-0.3 -0.294 38.5-108.4 -60.0 144.5 39.3 23.7 -10.1 76 78 A L S S+ 0 0 14 -74,-2.2 -74,-0.1 1,-0.1 -73,-0.1 -0.580 75.5 130.0 -76.4 84.3 38.8 24.0 -6.3 77 79 A A > - 0 0 34 -2,-2.0 4,-2.6 1,-0.1 3,-0.5 -0.759 41.0-166.0-142.4 87.2 35.0 23.4 -6.7 78 80 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.836 86.2 50.9 -49.7 -42.3 33.8 20.7 -4.3 79 81 A V H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.927 114.9 44.1 -65.2 -43.2 30.3 20.1 -5.8 80 82 A S H > S+ 0 0 84 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.895 113.6 51.5 -68.3 -35.9 31.9 19.7 -9.3 81 83 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.881 107.7 51.5 -65.8 -43.4 34.6 17.5 -8.0 82 84 A E H X S+ 0 0 27 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.914 108.5 51.3 -64.0 -41.2 32.2 15.2 -6.2 83 85 A A H X S+ 0 0 57 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.901 111.1 48.8 -62.7 -38.9 30.1 14.8 -9.4 84 86 A M H X S+ 0 0 36 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.918 111.7 48.1 -69.1 -40.6 33.3 13.9 -11.3 85 87 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.916 108.6 54.9 -66.4 -37.0 34.4 11.3 -8.7 86 88 A A H < S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.931 111.4 45.5 -61.2 -38.9 30.9 9.7 -8.6 87 89 A K H >< S+ 0 0 159 -4,-1.8 3,-1.2 1,-0.2 4,-0.2 0.906 109.9 53.3 -72.4 -39.0 31.2 9.2 -12.4 88 90 A R H 3< S+ 0 0 134 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.856 113.5 42.4 -65.2 -33.3 34.8 7.9 -12.3 89 91 A F T 3X S+ 0 0 28 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.162 80.6 116.8-103.2 19.1 33.9 5.2 -9.7 90 92 A C T <4 S+ 0 0 89 -3,-1.2 4,-0.2 2,-0.2 -1,-0.2 0.826 82.8 32.7 -42.7 -53.2 30.6 4.3 -11.4 91 93 A L T 4 S+ 0 0 171 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.880 117.2 54.1 -84.6 -40.6 31.6 0.8 -12.3 92 94 A A T 4 S- 0 0 76 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.824 120.9 -93.5 -64.6 -35.4 33.8 0.1 -9.3 93 95 A G < - 0 0 26 -4,-2.5 2,-2.1 -7,-0.2 5,-0.2 0.457 22.0-134.1 118.3 104.9 31.2 1.0 -6.7 94 96 A Y S S+ 0 0 36 -4,-0.2 2,-0.2 -8,-0.1 -4,-0.1 -0.433 78.4 77.0 -88.3 70.3 31.0 4.5 -5.3 95 97 A T S >> S+ 0 0 64 -2,-2.1 4,-1.0 -6,-0.1 3,-0.9 -0.854 73.1 28.6-156.8-177.6 30.6 3.3 -1.7 96 98 A G H 3> S- 0 0 24 -2,-0.2 4,-2.3 1,-0.2 3,-0.4 -0.166 124.7 -6.2 57.4-137.7 32.7 1.9 1.2 97 99 A L H 3> S+ 0 0 60 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.825 136.3 54.8 -64.0 -35.9 36.3 3.0 1.2 98 100 A I H <> S+ 0 0 32 -3,-0.9 4,-2.5 -5,-0.2 -1,-0.3 0.917 111.0 45.6 -62.2 -40.0 36.2 4.8 -2.2 99 101 A R H X S+ 0 0 10 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.896 112.0 52.1 -71.4 -40.7 33.2 6.9 -0.9 100 102 A M H X S+ 0 0 10 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.888 110.8 47.9 -59.7 -41.1 35.1 7.6 2.4 101 103 A A H >X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 3,-0.6 0.970 110.5 50.2 -64.6 -53.4 38.2 8.7 0.4 102 104 A A H 3X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.866 109.5 53.7 -52.1 -37.1 36.1 11.0 -1.9 103 105 A A H 3X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.849 104.6 53.5 -69.9 -34.7 34.5 12.5 1.3 104 106 A G H S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.930 111.8 49.6 -62.0 -43.0 36.8 28.8 3.5 115 117 A K H ><5S+ 0 0 48 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.919 106.2 54.3 -63.9 -42.3 40.5 29.8 3.7 116 118 A V H 3<5S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.910 117.1 38.4 -56.2 -41.8 40.6 31.4 0.2 117 119 A H T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.280 108.1-128.0 -94.5 12.4 37.6 33.6 1.3 118 120 A E T < 5 + 0 0 167 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.841 68.3 120.7 45.0 44.5 39.0 34.0 4.8 119 121 A T S > -f 342 0D 10 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.413 39.0-115.5 -55.4 143.0 34.6 30.1 8.7 121 123 A L H 3> S+ 0 0 0 221,-2.4 4,-2.0 219,-0.3 3,-0.3 0.876 113.4 59.9 -50.9 -43.2 32.9 27.3 6.8 122 124 A V H 34>S+ 0 0 0 220,-0.3 5,-2.1 1,-0.3 4,-0.3 0.905 107.1 46.5 -59.5 -35.3 29.6 27.9 8.6 123 125 A K H X45S+ 0 0 96 -3,-0.8 3,-0.8 1,-0.2 -1,-0.3 0.813 108.1 55.1 -79.3 -25.9 29.5 31.5 7.2 124 126 A L H 3<5S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.837 104.2 55.7 -70.5 -30.9 30.4 30.3 3.7 125 127 A L T 3<5S- 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.544 125.7-106.1 -76.0 -10.6 27.4 27.9 3.9 126 128 A G T < 5S+ 0 0 73 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.575 81.0 112.4 101.2 12.8 25.2 31.0 4.6 127 129 A A < - 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0 0 77 -2,-0.6 -21,-2.7 -21,-0.3 -19,-0.1 -0.988 26.7-127.2-131.1 118.7 45.5 23.1 12.7 347 349 A W B -R 324 0H 18 -2,-0.5 2,-1.3 -23,-0.2 -23,-0.3 -0.367 3.3-139.3 -65.4 139.9 47.9 20.2 12.9 348 350 A R >> - 0 0 83 -25,-2.5 4,-1.6 1,-0.2 3,-1.3 -0.762 29.2-166.6 -91.2 83.1 50.2 19.8 15.9 349 351 A E H 3> S+ 0 0 93 -2,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.813 76.0 49.9 -50.1 -37.9 53.0 18.8 13.6 350 352 A K H 3> S+ 0 0 179 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.786 108.8 54.0 -80.5 -14.3 55.5 17.4 16.1 351 353 A E H X> S+ 0 0 41 -3,-1.3 4,-0.7 2,-0.2 3,-0.6 0.852 102.3 58.8 -76.8 -33.4 52.8 15.2 17.8 352 354 A I H >X S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 4,-0.8 0.932 97.2 60.6 -59.5 -45.1 52.0 13.7 14.3 353 355 A G H >< S+ 0 0 51 -4,-1.2 3,-0.6 1,-0.3 -1,-0.2 0.835 100.0 56.7 -53.2 -34.9 55.6 12.4 13.9 354 356 A K H << S+ 0 0 135 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.727 113.3 37.7 -68.7 -24.8 55.1 10.3 17.1 355 357 A Y H << S+ 0 0 52 -3,-1.8 -342,-2.0 -4,-0.7 -1,-0.2 0.367 82.7 135.3-112.5 5.5 52.1 8.4 15.7 356 358 A L B << C 12 0B 92 -4,-0.8 -344,-0.2 -3,-0.6 -3,-0.0 -0.244 360.0 360.0 -63.6 139.9 53.1 8.0 12.1 357 359 A V 0 0 97 -346,-2.4 -346,-0.5 -299,-0.0 -1,-0.1 -0.959 360.0 360.0-110.9 360.0 52.5 4.6 10.5