==== 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 OXIDOREDUCTASE 20-SEP-07 2RCY . COMPND 2 MOLECULE: PYRROLINE CARBOXYLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,J.LEW,Y.H.LIN,H.REN,X.SUN,C.KHUU,A.HASSANALI,G . 1268 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 73.1 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 . 25 2.0 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 . 75 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 539 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.2 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 10 10 0 4 8 3 3 0 0 0 0 5 4 1 5 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 9 10 5 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 5 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 5 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 G 0 0 97 0, 0.0 28,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 123.9 26.3 42.2 16.2 2 2 A X + 0 0 14 26,-0.3 3,-0.3 3,-0.0 26,-0.1 0.228 360.0 100.1-155.4 -0.0 29.8 43.5 16.6 3 3 A E S S+ 0 0 87 1,-0.2 27,-0.9 26,-0.2 26,-0.1 0.707 83.1 51.3 -68.8 -22.2 29.4 47.2 15.5 4 4 A N S S+ 0 0 121 25,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.758 85.4 94.5 -89.8 -29.4 29.2 48.4 19.1 5 5 A I S S- 0 0 21 -3,-0.3 2,-0.5 1,-0.1 25,-0.1 -0.369 73.0-126.5 -69.4 144.7 32.3 46.9 20.7 6 6 A K - 0 0 58 52,-0.2 55,-2.2 -2,-0.1 54,-1.9 -0.827 18.8-156.5-100.0 123.1 35.5 49.0 20.8 7 7 A L E -ab 34 61A 2 26,-2.6 28,-3.2 -2,-0.5 2,-0.4 -0.849 8.3-165.3-101.8 130.8 38.7 47.5 19.3 8 8 A G E -ab 35 62A 0 53,-2.5 55,-3.5 -2,-0.5 2,-0.6 -0.964 8.1-158.5-122.7 131.3 42.1 48.8 20.4 9 9 A F E -ab 36 63A 0 26,-2.2 28,-2.0 -2,-0.4 2,-1.3 -0.910 6.4-155.6-111.4 109.7 45.4 48.3 18.8 10 10 A X E S+ab 37 64A 0 53,-3.3 55,-1.7 -2,-0.6 28,-0.1 -0.690 77.6 5.5 -83.6 92.5 48.5 48.7 21.0 11 11 A G - 0 0 12 26,-2.0 27,-0.2 -2,-1.3 2,-0.2 0.313 62.2-145.3 101.6 128.0 51.1 49.6 18.4 12 12 A L + 0 0 9 4,-0.1 -1,-0.1 5,-0.1 54,-0.1 -0.531 47.0 135.8-121.9 65.2 50.6 50.1 14.6 13 13 A G S > S- 0 0 38 52,-0.5 4,-1.4 -2,-0.2 5,-0.2 0.379 78.0 -56.2 -81.5-140.6 53.7 48.7 13.0 14 14 A Q H > S+ 0 0 100 2,-0.2 4,-0.7 3,-0.1 1228,-0.1 0.857 142.0 31.2 -74.6 -36.4 53.9 46.5 9.9 15 15 A X H > S+ 0 0 37 50,-0.2 4,-2.3 2,-0.2 5,-0.2 0.847 117.3 56.2 -87.6 -39.7 51.5 43.9 11.4 16 16 A G H > S+ 0 0 1 49,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.922 112.3 41.3 -56.5 -49.9 49.5 46.2 13.6 17 17 A S H X S+ 0 0 28 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.856 113.1 53.8 -69.0 -38.2 48.5 48.5 10.7 18 18 A A H X S+ 0 0 5 -4,-0.7 4,-1.0 -5,-0.2 -1,-0.2 0.878 115.0 40.8 -63.3 -39.9 47.9 45.5 8.3 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.884 115.4 51.2 -74.0 -41.4 45.5 43.9 10.8 20 20 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.927 115.4 40.3 -62.6 -48.3 43.9 47.2 11.7 21 21 A H H X S+ 0 0 40 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.728 109.9 61.6 -74.4 -23.7 43.1 48.2 8.1 22 22 A G H X S+ 0 0 3 -4,-1.0 4,-0.6 -5,-0.3 -1,-0.2 0.876 111.3 37.6 -66.8 -40.1 42.2 44.6 7.3 23 23 A I H X>S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 5,-0.5 0.824 113.5 58.2 -78.7 -35.2 39.3 44.8 9.8 24 24 A A H <5S+ 0 0 21 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.876 109.1 43.9 -61.7 -41.3 38.5 48.4 8.9 25 25 A N H <5S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.699 105.8 63.1 -76.8 -21.7 37.9 47.5 5.2 26 26 A A H <5S- 0 0 35 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.691 95.7-145.1 -75.4 -20.6 35.9 44.4 6.2 27 27 A N T <5 + 0 0 132 -4,-0.8 -3,-0.1 -3,-0.4 3,-0.1 0.965 58.0 125.1 48.8 71.9 33.3 46.7 7.9 28 28 A I S - 0 0 94 -27,-0.9 3,-2.3 -2,-0.4 4,-0.1 -0.250 27.0-121.5 -61.6 144.0 32.1 51.0 13.1 31 31 A K G > S+ 0 0 72 1,-0.3 3,-1.2 2,-0.2 16,-0.4 0.811 113.1 57.4 -55.2 -35.9 35.0 53.3 12.1 32 32 A E G 3 S+ 0 0 120 1,-0.2 -1,-0.3 14,-0.1 -2,-0.1 0.417 101.3 59.3 -77.6 1.5 34.5 55.4 15.3 33 33 A N G < S+ 0 0 23 -3,-2.3 -26,-2.6 -28,-0.1 2,-0.5 0.243 83.2 92.3-113.1 9.1 35.0 52.2 17.3 34 34 A L E < +a 7 0A 4 -3,-1.2 13,-2.4 -28,-0.2 2,-0.3 -0.935 55.7 175.0-105.8 121.8 38.5 51.4 16.1 35 35 A F E +ac 8 47A 18 -28,-3.2 -26,-2.2 -2,-0.5 2,-0.3 -0.828 9.5 178.6-126.2 160.3 41.3 52.8 18.2 36 36 A Y E -ac 9 48A 8 11,-1.9 13,-2.1 -2,-0.3 2,-0.3 -0.989 12.1-156.4-154.1 157.9 45.2 52.7 18.4 37 37 A Y E +a 10 0A 57 -28,-2.0 -26,-2.0 -2,-0.3 13,-0.1 -0.997 18.9 156.2-137.0 142.1 48.2 54.0 20.3 38 38 A G - 0 0 7 -2,-0.3 11,-0.0 11,-0.3 -2,-0.0 -0.966 54.0-108.5-149.8 160.7 51.9 54.4 19.4 39 39 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.668 113.2 35.9 -63.5 -16.2 54.8 56.6 20.5 40 40 A S S S- 0 0 83 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.997 96.4-108.3-136.6 139.7 54.3 58.4 17.1 41 41 A K - 0 0 156 -2,-0.3 2,-0.3 1,-0.1 -4,-0.0 -0.381 37.8-144.1 -65.8 141.4 51.1 59.1 15.3 42 42 A K - 0 0 114 -2,-0.1 2,-1.6 -4,-0.0 6,-0.1 -0.747 22.5-105.8-112.2 153.8 50.5 57.0 12.2 43 43 A N S S+ 0 0 108 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.621 76.1 125.8 -74.6 88.1 49.0 57.6 8.8 44 44 A T S S- 0 0 34 -2,-1.6 4,-0.1 2,-0.2 -2,-0.0 -0.967 70.4-128.5-149.0 157.4 45.8 55.7 9.5 45 45 A T S S+ 0 0 107 -2,-0.3 -11,-0.1 2,-0.1 2,-0.1 0.620 80.5 102.8 -81.9 -15.5 42.0 55.9 9.5 46 46 A L S S- 0 0 9 1,-0.1 2,-0.4 -11,-0.1 -11,-0.2 -0.355 83.0-102.5 -71.1 149.3 41.9 54.6 13.1 47 47 A N E -c 35 0A 67 -13,-2.4 -11,-1.9 -16,-0.4 2,-0.1 -0.602 34.1-127.9 -79.8 123.9 41.3 57.0 16.0 48 48 A Y E -c 36 0A 83 -2,-0.4 2,-0.3 -13,-0.2 -11,-0.2 -0.413 22.0-160.8 -70.5 141.8 44.4 57.9 18.0 49 49 A X - 0 0 41 -13,-2.1 -11,-0.3 -2,-0.1 6,-0.1 -0.944 24.6-121.5-126.3 151.0 44.4 57.5 21.8 50 50 A S S S- 0 0 81 -2,-0.3 2,-0.3 -13,-0.1 -1,-0.1 0.788 84.3 -9.9 -62.7 -35.9 46.7 59.2 24.4 51 51 A S > - 0 0 22 1,-0.1 4,-1.2 -15,-0.0 5,-0.1 -0.954 64.3-104.9-154.7 170.2 48.1 56.0 25.9 52 52 A N H > S+ 0 0 17 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.816 119.1 54.8 -67.5 -33.4 47.8 52.2 26.1 53 53 A E H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 110.2 43.8 -67.6 -44.5 46.2 52.5 29.6 54 54 A E H > S+ 0 0 107 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.737 113.5 53.5 -72.8 -25.0 43.5 54.8 28.3 55 55 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.885 111.1 45.1 -70.8 -42.9 43.1 52.5 25.3 56 56 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.799 112.4 52.0 -71.2 -30.7 42.6 49.5 27.6 57 57 A R H < S+ 0 0 57 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.750 118.7 36.1 -76.3 -25.7 40.2 51.4 29.8 58 58 A H H < S+ 0 0 79 -4,-0.9 -2,-0.2 -5,-0.1 -52,-0.2 0.878 105.3 72.0 -93.7 -47.3 38.0 52.5 26.9 59 59 A C < - 0 0 0 -4,-2.6 -52,-0.2 -5,-0.1 3,-0.1 -0.304 60.4-151.5 -77.9 155.5 38.1 49.5 24.5 60 60 A D S S+ 0 0 58 -54,-1.9 26,-1.9 1,-0.3 2,-0.5 0.787 89.8 37.7 -92.1 -36.9 36.4 46.1 25.0 61 61 A I E S-bd 7 86A 9 -55,-2.2 -53,-2.5 24,-0.2 2,-0.5 -0.985 75.6-161.7-119.8 124.0 38.9 44.1 23.0 62 62 A I E -bd 8 87A 0 24,-2.7 26,-3.3 -2,-0.5 2,-0.5 -0.905 2.6-156.4-111.0 129.7 42.6 45.0 23.3 63 63 A V E -bd 9 88A 3 -55,-3.5 -53,-3.3 -2,-0.5 2,-1.0 -0.923 8.2-148.5-108.3 121.6 45.2 43.9 20.7 64 64 A C E +bd 10 89A 0 24,-2.5 26,-1.8 -2,-0.5 27,-0.3 -0.778 30.0 161.1 -88.1 100.0 48.8 43.7 21.7 65 65 A A + 0 0 16 -55,-1.7 -52,-0.5 -2,-1.0 -49,-0.3 -0.004 33.6 111.1-113.3 26.3 50.6 44.5 18.5 66 66 A V S S- 0 0 27 1,-0.1 24,-0.1 -54,-0.1 5,-0.1 -0.503 80.1 -80.9 -92.6 166.2 54.1 45.5 19.9 67 67 A K >> - 0 0 67 -2,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.396 43.2-117.3 -61.5 144.1 57.4 43.7 19.5 68 68 A P T 34 S+ 0 0 26 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.735 110.5 62.7 -61.0 -25.8 57.7 40.8 22.0 69 69 A D T 34 S+ 0 0 112 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.755 113.7 33.2 -71.7 -27.2 60.7 42.4 23.8 70 70 A I T <> S+ 0 0 77 -3,-1.3 4,-1.6 1,-0.1 3,-0.3 0.364 95.8 89.8-106.8 1.5 58.7 45.4 24.9 71 71 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 5,-0.2 0.782 78.7 63.8 -67.5 -28.6 55.4 43.5 25.3 72 72 A G H > S+ 0 0 25 -4,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.872 107.8 38.2 -64.5 -41.6 56.2 42.7 29.0 73 73 A S H > S+ 0 0 69 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.889 115.3 52.8 -77.1 -42.3 56.2 46.4 30.1 74 74 A V H X S+ 0 0 16 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.903 112.9 44.2 -60.0 -45.0 53.2 47.4 27.9 75 75 A L H < S+ 0 0 0 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.787 110.5 55.8 -71.7 -29.2 51.0 44.6 29.3 76 76 A N H < S+ 0 0 94 -4,-0.9 3,-0.2 -5,-0.2 -1,-0.2 0.791 105.9 52.1 -71.0 -30.4 52.2 45.3 32.8 77 77 A N H < S+ 0 0 82 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.802 114.7 40.4 -74.6 -31.9 51.0 48.9 32.4 78 78 A I S >< S+ 0 0 0 -4,-1.2 3,-1.2 1,-0.2 4,-0.3 0.348 86.5 110.0 -96.1 4.0 47.5 47.9 31.3 79 79 A K G > S+ 0 0 78 1,-0.3 3,-0.8 -3,-0.2 -1,-0.2 0.840 79.2 40.8 -49.5 -49.0 47.4 45.1 33.8 80 80 A P G 3 S+ 0 0 84 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.609 109.2 61.9 -80.6 -7.9 44.7 46.6 36.2 81 81 A Y G < S+ 0 0 110 -3,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.353 81.5 81.2 -97.4 4.5 42.6 47.9 33.3 82 82 A L X + 0 0 0 -3,-0.8 3,-1.7 -4,-0.3 26,-0.4 0.234 57.9 143.7 -94.9 13.0 41.8 44.5 31.7 83 83 A S T 3 S- 0 0 86 -3,-0.4 3,-0.1 1,-0.3 24,-0.1 -0.370 82.2 -12.0 -62.5 120.2 39.0 43.6 34.2 84 84 A S T 3 S+ 0 0 98 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.476 113.9 119.6 67.9 6.3 36.2 41.7 32.4 85 85 A K < - 0 0 40 -3,-1.7 23,-0.8 -24,-0.0 2,-0.6 -0.629 66.4-114.3-105.6 158.2 37.9 42.6 29.0 86 86 A L E -de 61 108A 5 -26,-1.9 -24,-2.7 -2,-0.2 2,-0.6 -0.814 23.7-163.2 -96.4 122.0 39.3 40.4 26.2 87 87 A L E -de 62 109A 0 21,-2.6 23,-2.3 -2,-0.6 2,-0.5 -0.916 4.6-170.6-103.6 120.0 43.0 40.6 25.5 88 88 A I E -de 63 110A 4 -26,-3.3 -24,-2.5 -2,-0.6 2,-0.5 -0.950 6.0-160.3-110.4 127.8 44.2 39.3 22.2 89 89 A S E +de 64 111A 0 21,-2.5 23,-1.9 -2,-0.5 -24,-0.1 -0.923 21.0 177.1-111.3 129.4 48.0 39.0 21.6 90 90 A I + 0 0 16 -26,-1.8 2,-0.1 -2,-0.5 -25,-0.1 0.286 41.0 132.5-105.9 6.5 49.6 38.7 18.2 91 91 A C - 0 0 4 -27,-0.3 2,-0.3 1,-0.1 -24,-0.1 -0.371 58.9-120.5 -63.3 131.0 53.2 38.7 19.7 92 92 A G S S+ 0 0 12 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 -0.544 87.9 3.8 -76.2 135.0 55.4 36.0 18.2 93 93 A G S S+ 0 0 0 -2,-0.3 2,-1.0 1,-0.2 -1,-0.2 -0.193 94.9 115.6 88.9 -42.1 56.8 33.4 20.6 94 94 A L - 0 0 10 -2,-0.6 -1,-0.2 4,-0.1 167,-0.1 -0.483 50.9-167.6 -70.0 97.8 55.0 34.7 23.7 95 95 A N > - 0 0 33 -2,-1.0 4,-2.2 166,-0.1 3,-0.3 -0.149 38.3 -89.0 -80.1 177.2 52.6 31.8 24.6 96 96 A I H > S+ 0 0 9 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.867 125.0 55.8 -56.0 -42.5 49.7 31.8 27.1 97 97 A G H > S+ 0 0 37 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.897 111.7 42.2 -56.8 -45.9 51.9 30.9 30.0 98 98 A K H > S+ 0 0 40 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.816 115.8 50.1 -70.5 -33.2 54.2 33.9 29.4 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.5 0.886 108.6 50.9 -72.4 -41.0 51.1 36.1 28.8 100 100 A E H X S+ 0 0 61 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.730 109.0 53.9 -65.2 -24.1 49.4 34.9 32.0 101 101 A E H < S+ 0 0 156 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.748 110.7 46.8 -77.7 -27.0 52.7 35.8 33.7 102 102 A X H < S+ 0 0 35 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.828 132.2 11.2 -85.5 -36.9 52.5 39.3 32.2 103 103 A V H < S- 0 0 0 -4,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.597 113.3 -91.2-119.1 -19.6 48.9 40.3 33.0 104 104 A G >< - 0 0 10 -4,-0.8 3,-1.0 -5,-0.5 -3,-0.1 -0.094 24.4-100.4 114.8 146.5 47.6 37.6 35.4 105 105 A S T 3 S+ 0 0 61 1,-0.2 27,-0.2 -5,-0.1 4,-0.1 0.661 113.0 69.6 -71.5 -18.0 45.8 34.3 35.2 106 106 A E T 3 S+ 0 0 123 -6,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.684 85.1 88.5 -74.3 -20.3 42.5 36.0 36.1 107 107 A N S < S- 0 0 10 -3,-1.0 2,-0.8 -7,-0.1 25,-0.4 -0.272 87.0-106.0 -79.2 163.1 42.3 37.8 32.7 108 108 A K E -e 86 0A 53 -23,-0.8 -21,-2.6 -26,-0.4 2,-0.5 -0.823 46.2-178.7 -89.8 108.2 40.8 36.6 29.4 109 109 A I E +e 87 0A 0 -2,-0.8 21,-2.5 -23,-0.2 2,-0.4 -0.943 13.6 173.9-120.5 123.4 43.8 35.8 27.2 110 110 A V E -eF 88 129A 0 -23,-2.3 -21,-2.5 -2,-0.5 2,-0.8 -0.996 19.6-148.7-127.1 129.6 43.7 34.6 23.5 111 111 A W E -eF 89 128A 0 17,-2.9 17,-1.4 -2,-0.4 2,-0.4 -0.858 19.4-176.2-103.6 105.8 46.9 34.2 21.4 112 112 A V E - F 0 127A 0 -23,-1.9 15,-0.2 -2,-0.8 -2,-0.0 -0.844 14.1-156.7-105.2 134.6 46.2 34.9 17.7 113 113 A X E + F 0 126A 12 13,-3.3 13,-1.3 -2,-0.4 2,-0.1 -0.912 23.8 172.4-113.4 104.2 48.9 34.5 15.0 114 114 A P - 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0 0 18 -27,-2.4 5,-0.1 -2,-0.6 -28,-0.0 -0.803 38.4 -81.6-127.7 167.6 44.6 25.0 17.3 155 155 A K > - 0 0 104 -2,-0.3 3,-0.7 1,-0.1 4,-0.2 -0.309 38.7-120.1 -63.1 152.9 46.4 23.6 20.3 156 156 A E G > S+ 0 0 76 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.859 113.2 57.4 -64.4 -36.4 48.9 25.8 22.1 157 157 A K G 3 S+ 0 0 104 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.692 103.8 54.0 -68.6 -19.5 51.8 23.4 21.4 158 158 A D G <> S+ 0 0 15 -3,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.417 84.2 88.7 -92.5 -1.0 51.1 23.7 17.7 159 159 A X H <> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.2 -1,-0.2 0.799 81.8 56.1 -68.3 -31.1 51.3 27.5 17.7 160 160 A D H > S+ 0 0 14 -3,-0.3 4,-1.5 -4,-0.3 -1,-0.2 0.910 111.6 40.1 -71.5 -45.1 55.1 27.6 17.1 161 161 A I H > S+ 0 0 2 -4,-0.3 4,-1.4 1046,-0.2 -2,-0.2 0.859 114.8 54.0 -69.8 -36.8 55.0 25.5 13.8 162 162 A A H X>S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 5,-0.9 0.866 107.0 51.4 -65.1 -37.9 51.9 27.3 12.7 163 163 A T H <>S+ 0 0 3 -4,-1.9 5,-2.8 3,-0.2 6,-0.4 0.906 107.6 53.5 -60.9 -44.2 53.6 30.7 13.2 164 164 A A H <5S+ 0 0 0 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.793 122.1 29.3 -62.3 -32.1 56.5 29.4 11.1 165 165 A I H <5S+ 0 0 2 -4,-1.4 4,-0.4 3,-0.1 -2,-0.2 0.895 134.4 25.1 -93.0 -55.4 54.1 28.4 8.2 166 166 A S T <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.2 -42,-0.2 0.915 129.7 37.7 -82.4 -46.7 51.2 30.9 8.4 167 167 A G T >> S+ 0 0 3 -4,-0.4 4,-2.1 -6,-0.4 3,-0.9 0.793 72.5 63.6 -42.0 -49.5 55.0 32.1 5.3 170 170 A P H 3> S+ 0 0 0 0, 0.0 4,-3.6 0, 0.0 -1,-0.3 0.864 99.6 56.3 -48.3 -40.7 54.4 35.2 3.2 171 171 A A H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.856 107.9 46.5 -60.3 -39.9 58.2 35.9 3.4 172 172 A Y H S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.2 -2,-0.2 0.898 112.6 49.0 -71.1 -45.1 63.0 35.4 -16.0 185 185 A V H ><5S+ 0 0 47 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.895 109.7 53.6 -62.1 -41.5 64.6 38.9 -16.1 186 186 A K H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 109.9 47.8 -60.6 -37.7 68.1 37.2 -16.3 187 187 A N T 3<5S- 0 0 36 -4,-1.1 -1,-0.2 -5,-0.2 994,-0.2 0.128 131.4 -77.4-100.5 21.2 67.0 35.1 -19.3 188 188 A G T < 5S+ 0 0 23 -3,-1.2 -3,-0.2 1,-0.4 -2,-0.1 0.069 88.8 118.3 119.9 -25.6 65.4 37.9 -21.5 189 189 A L < - 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