==== 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 LYASE 12-SEP-02 1IYX . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS HIRAE; . AUTHOR T.HOSAKA,T.MEGURO,I.YAMATO,Y.SHIRAKIHARA . 862 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 68 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 2 2 2 0 2 2 2 2 2 2 4 0 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 6 3 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 PARALLEL BRIDGES PER LADDER . 8 0 1 3 4 0 0 0 2 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 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 19 0, 0.0 82,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -6.0 65.9 87.1 -34.3 2 2 A I B -A 82 0A 66 80,-0.3 25,-2.1 81,-0.1 80,-0.3 -0.682 360.0-114.6 -84.0 125.9 65.3 86.8 -38.0 3 3 A I E +B 26 0B 1 78,-2.5 77,-1.7 -2,-0.5 23,-0.3 -0.378 38.7 171.0 -59.8 124.6 61.8 85.7 -39.1 4 4 A T E + 0 0 59 21,-3.4 2,-0.3 1,-0.3 22,-0.2 0.404 62.9 25.4-115.2 -1.5 62.2 82.4 -40.8 5 5 A D E +B 25 0B 82 20,-1.4 20,-2.7 73,-0.1 2,-0.4 -0.907 46.5 179.3-166.5 133.7 58.5 81.5 -41.1 6 6 A V E +B 24 0B 3 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.939 21.0 174.9-138.6 109.1 55.1 83.2 -41.3 7 7 A Y E -B 23 0B 77 16,-2.6 16,-2.7 -2,-0.4 2,-0.2 -0.977 12.0-162.1-125.7 125.8 52.2 80.7 -41.6 8 8 A A E -B 22 0B 1 -2,-0.4 2,-0.3 59,-0.3 14,-0.2 -0.635 8.6-178.5-102.1 162.2 48.5 81.5 -41.6 9 9 A R E -B 21 0B 24 12,-1.9 12,-1.4 -2,-0.2 2,-0.5 -0.978 30.0-107.1-153.8 156.2 45.6 79.1 -41.1 10 10 A E E +B 20 0B 15 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.787 46.2 156.9 -94.2 129.9 41.8 79.3 -41.0 11 11 A I E -B 19 0B 0 8,-2.5 8,-2.9 -2,-0.5 2,-0.3 -0.769 37.3 -95.7-136.2-177.4 40.1 79.1 -37.6 12 12 A L E -B 18 0B 2 6,-0.3 2,-0.2 -2,-0.2 824,-0.1 -0.780 24.6-144.2-108.3 150.1 36.8 80.1 -36.0 13 13 A D > - 0 0 1 4,-2.0 3,-2.2 -2,-0.3 359,-0.2 -0.442 45.8 -81.7 -99.4 178.7 35.9 83.2 -33.9 14 14 A S T 3 S+ 0 0 0 357,-3.3 814,-2.2 1,-0.3 358,-0.1 0.599 128.5 54.4 -59.3 -11.6 33.5 83.4 -30.9 15 15 A R T 3 S- 0 0 69 356,-0.2 -1,-0.3 812,-0.2 811,-0.1 0.378 119.8-102.6-104.7 4.4 30.5 83.6 -33.3 16 16 A G S < S+ 0 0 0 -3,-2.2 -2,-0.1 1,-0.3 602,-0.1 0.699 81.7 128.2 84.1 19.6 31.3 80.5 -35.3 17 17 A N - 0 0 9 -4,-0.1 -4,-2.0 1,-0.0 -1,-0.3 -0.903 63.7-107.0-111.8 136.2 32.6 82.4 -38.3 18 18 A P E +B 12 0B 0 0, 0.0 -6,-0.3 0, 0.0 2,-0.3 -0.196 44.4 164.4 -59.5 150.0 36.0 81.8 -39.8 19 19 A T E -B 11 0B 4 -8,-2.9 -8,-2.5 19,-0.1 2,-0.2 -0.891 34.7 -88.6-151.7 177.4 38.8 84.2 -39.2 20 20 A I E -B 10 0B 0 -2,-0.3 16,-2.0 -10,-0.2 2,-0.3 -0.642 26.9-171.8-102.7 157.6 42.6 84.2 -39.7 21 21 A E E -BC 9 35B 0 -12,-1.4 -12,-1.9 -2,-0.2 2,-0.4 -0.992 8.5-162.8-142.5 134.5 45.5 83.1 -37.4 22 22 A V E -BC 8 34B 0 12,-2.7 12,-3.2 -2,-0.3 2,-0.5 -0.982 4.4-162.7-127.7 136.9 49.2 83.7 -38.1 23 23 A E E -BC 7 33B 9 -16,-2.7 -16,-2.6 -2,-0.4 2,-0.4 -0.969 6.5-163.9-118.7 126.5 52.2 82.1 -36.6 24 24 A V E -BC 6 32B 0 8,-2.8 8,-1.4 -2,-0.5 2,-0.4 -0.919 3.4-168.5-111.8 135.4 55.7 83.6 -36.9 25 25 A Y E -BC 5 31B 85 -20,-2.7 -21,-3.4 -2,-0.4 -20,-1.4 -0.982 6.9-153.8-123.9 132.8 58.9 81.7 -36.2 26 26 A T E > -B 3 0B 4 4,-2.1 3,-1.1 -2,-0.4 -23,-0.2 -0.627 34.0-107.9 -97.5 162.7 62.4 83.2 -35.9 27 27 A E T 3 S+ 0 0 131 -25,-2.1 -24,-0.1 1,-0.3 -1,-0.1 0.804 118.8 59.3 -61.8 -26.8 65.5 81.2 -36.6 28 28 A S T 3 S- 0 0 79 -26,-0.1 -1,-0.3 1,-0.0 -25,-0.1 0.751 124.9 -99.0 -73.5 -24.2 66.3 81.1 -32.9 29 29 A G S < S+ 0 0 55 -3,-1.1 -2,-0.1 1,-0.3 2,-0.1 0.370 70.5 150.6 120.1 -1.8 63.0 79.3 -32.1 30 30 A A - 0 0 4 -5,-0.0 -4,-2.1 1,-0.0 2,-0.3 -0.373 28.2-159.3 -63.8 139.5 61.0 82.3 -31.0 31 31 A F E +C 25 0B 59 -6,-0.2 2,-0.3 89,-0.2 92,-0.2 -0.909 15.6 179.5-126.1 151.0 57.3 81.9 -31.7 32 32 A G E -C 24 0B 3 -8,-1.4 -8,-2.8 -2,-0.3 2,-0.5 -0.972 8.0-163.5-151.9 133.9 54.4 84.3 -32.0 33 33 A R E -C 23 0B 65 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.969 5.2-167.6-125.6 121.6 50.7 83.7 -32.8 34 34 A G E -C 22 0B 0 -12,-3.2 -12,-2.7 -2,-0.5 2,-0.5 -0.912 0.8-166.6-111.8 130.3 48.3 86.4 -33.9 35 35 A M E -C 21 0B 16 -2,-0.5 -14,-0.2 -14,-0.2 341,-0.1 -0.955 12.0-145.7-115.7 130.1 44.5 86.0 -34.0 36 36 A V - 0 0 1 -16,-2.0 -16,-0.2 -2,-0.5 2,-0.1 -0.792 8.1-139.7-101.9 134.7 42.3 88.5 -35.8 37 37 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 334,-0.2 -0.466 39.2 -78.8 -86.4 161.2 38.8 89.6 -34.7 38 38 A S + 0 0 7 332,-2.3 332,-0.3 -2,-0.1 331,-0.3 -0.444 59.2 164.3 -64.7 111.1 35.8 90.1 -37.0 39 39 A G - 0 0 18 -2,-0.5 2,-0.4 302,-0.1 303,-0.1 0.245 41.7 -66.4 -99.8-136.5 36.1 93.5 -38.7 40 40 A A - 0 0 24 7,-0.4 9,-2.4 301,-0.2 -1,-0.1 -0.977 18.1-155.1-127.1 138.1 34.2 94.9 -41.8 41 41 A S S S+ 0 0 62 -2,-0.4 2,-0.3 7,-0.3 7,-0.1 0.515 88.1 37.7 -84.0 -6.5 34.4 93.7 -45.4 42 42 A T + 0 0 115 5,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.999 62.7 131.7-147.5 144.4 33.3 97.2 -46.4 43 43 A G - 0 0 15 -2,-0.3 5,-0.1 3,-0.1 -3,-0.0 -0.765 44.0-134.8 173.8 139.9 33.9 100.8 -45.3 44 44 A E S S+ 0 0 157 -2,-0.2 -1,-0.1 1,-0.2 57,-0.0 0.912 109.5 11.7 -74.3 -42.7 34.8 104.1 -47.0 45 45 A Y S S+ 0 0 133 2,-0.1 2,-0.4 56,-0.0 -1,-0.2 0.324 113.1 96.9-115.3 4.0 37.5 105.1 -44.5 46 46 A E S S- 0 0 29 274,-0.1 297,-0.1 1,-0.1 -3,-0.1 -0.773 81.0-111.0-100.2 137.5 37.7 101.8 -42.7 47 47 A A - 0 0 9 295,-1.9 -7,-0.4 -2,-0.4 2,-0.4 -0.372 40.7-131.2 -60.8 142.9 40.3 99.1 -43.4 48 48 A V - 0 0 19 53,-2.8 59,-2.6 -7,-0.1 -7,-0.3 -0.845 6.8-138.4-110.4 138.7 38.6 96.1 -45.0 49 49 A E - 0 0 23 -9,-2.4 2,-0.7 -2,-0.4 57,-0.1 -0.448 25.3-118.5 -82.1 160.5 38.8 92.4 -44.2 50 50 A L + 0 0 32 55,-0.1 16,-0.5 -2,-0.1 2,-0.2 -0.877 33.1 177.9-110.5 108.1 39.0 89.9 -47.0 51 51 A R - 0 0 41 -2,-0.7 12,-0.2 1,-0.1 10,-0.1 -0.686 31.6-133.1-101.8 157.2 36.2 87.3 -47.2 52 52 A D - 0 0 28 10,-2.4 9,-0.2 -2,-0.2 3,-0.1 0.853 23.5-149.9 -77.3 -36.9 35.9 84.6 -49.9 53 53 A G + 0 0 54 7,-2.6 2,-1.3 9,-0.3 8,-0.2 0.692 36.9 156.8 74.3 17.5 32.2 85.2 -50.5 54 54 A D > - 0 0 78 6,-0.2 3,-2.7 1,-0.2 6,-1.7 -0.651 30.8-160.4 -79.3 95.3 31.7 81.6 -51.5 55 55 A K T 3 S+ 0 0 190 -2,-1.3 4,-0.4 1,-0.3 -1,-0.2 0.799 89.7 55.6 -44.5 -35.1 28.0 81.2 -50.9 56 56 A A T 3 S+ 0 0 79 3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.644 103.6 60.8 -76.1 -16.7 28.5 77.4 -50.7 57 57 A R S X >S- 0 0 45 -3,-2.7 3,-2.1 1,-0.1 5,-0.6 -0.957 126.2 -27.3-121.3 125.0 31.1 77.6 -47.9 58 58 A Y G > 5S- 0 0 13 -2,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.812 115.0 -66.8 45.5 35.1 30.6 79.1 -44.4 59 59 A G G 3 5S- 0 0 56 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.2 0.875 92.9 -59.2 55.9 38.5 27.9 81.3 -45.9 60 60 A G G < 5S+ 0 0 10 -3,-2.1 -7,-2.6 -6,-1.7 -1,-0.3 0.416 117.5 112.1 72.4 -0.9 30.6 83.1 -47.9 61 61 A K T < 5 + 0 0 93 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.291 40.6 124.0 -88.6 11.4 32.3 84.1 -44.7 62 62 A G < - 0 0 1 -5,-0.6 -10,-2.4 -8,-0.2 -9,-0.3 -0.223 49.7-153.4 -67.5 162.0 35.5 82.0 -45.2 63 63 A V > + 0 0 0 -12,-0.2 4,-2.2 -44,-0.2 5,-0.1 -0.115 54.1 124.0-129.2 37.3 38.9 83.6 -45.2 64 64 A T H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.780 74.9 58.2 -65.8 -26.8 40.8 81.1 -47.3 65 65 A K H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 106.6 45.1 -68.7 -48.7 41.7 84.1 -49.6 66 66 A A H > S+ 0 0 0 -16,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.894 112.2 53.1 -62.5 -41.7 43.4 86.0 -46.8 67 67 A V H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -59,-0.3 0.948 109.0 48.3 -59.5 -48.8 45.2 82.9 -45.6 68 68 A D H X S+ 0 0 81 -4,-2.2 4,-2.1 1,-0.2 5,-0.4 0.897 108.8 55.2 -58.8 -40.1 46.6 82.3 -49.1 69 69 A N H X>S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 5,-2.0 0.926 110.0 45.5 -57.5 -48.5 47.7 85.9 -49.3 70 70 A V H <>S+ 0 0 0 -4,-2.3 5,-3.3 3,-0.2 -2,-0.2 0.967 116.5 43.7 -59.6 -56.2 49.7 85.6 -46.1 71 71 A N H <5S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.726 127.1 27.0 -63.9 -28.4 51.4 82.2 -47.0 72 72 A N H <5S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.681 134.1 20.0-111.0 -22.9 52.3 83.1 -50.6 73 73 A I T X5S+ 0 0 58 -4,-2.3 4,-0.9 -5,-0.4 -3,-0.2 0.797 127.3 36.0-110.3 -60.5 52.7 86.9 -50.8 74 74 A I H >> -A 2 0A 33 -80,-0.3 3,-3.1 1,-0.1 -80,-0.3 -0.799 28.0-129.4 -89.3 118.3 64.5 90.9 -37.9 83 83 A V T 3 S+ 0 0 0 -82,-2.7 38,-0.3 -2,-0.7 -1,-0.1 0.672 103.8 63.6 -38.4 -25.3 61.3 90.1 -35.8 84 84 A R T 3 S+ 0 0 99 -83,-0.3 2,-2.2 1,-0.2 -1,-0.3 0.647 73.9 90.2 -80.9 -16.2 62.0 93.2 -33.8 85 85 A D <> + 0 0 74 -3,-3.1 4,-2.5 1,-0.2 5,-0.3 -0.386 47.6 161.4 -79.2 63.9 61.5 95.8 -36.6 86 86 A Q H > S+ 0 0 25 -2,-2.2 4,-2.5 1,-0.2 5,-0.3 0.947 71.1 47.4 -49.3 -61.1 57.8 96.2 -36.0 87 87 A M H > S+ 0 0 144 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 112.7 47.6 -47.4 -53.7 57.5 99.6 -37.9 88 88 A A H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 112.7 49.6 -57.8 -44.0 59.5 98.4 -40.9 89 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.917 113.0 44.7 -64.4 -43.5 57.5 95.2 -41.3 90 90 A D H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.904 110.6 56.1 -66.8 -38.1 54.1 96.9 -41.0 91 91 A K H X S+ 0 0 157 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.938 110.2 45.7 -57.4 -46.8 55.3 99.6 -43.5 92 92 A A H >X S+ 0 0 23 -4,-2.3 4,-3.4 1,-0.2 3,-0.7 0.980 109.8 51.4 -61.1 -58.6 56.2 96.9 -46.0 93 93 A M H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.834 111.2 51.5 -48.3 -33.7 53.0 94.9 -45.6 94 94 A I H 3X S+ 0 0 53 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.3 0.873 113.5 41.8 -72.4 -37.8 51.2 98.2 -46.2 95 95 A A H << S+ 0 0 75 -4,-1.8 -2,-0.2 -3,-0.7 -1,-0.2 0.809 109.9 58.8 -77.8 -31.8 53.1 99.0 -49.4 96 96 A L H < S+ 0 0 71 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 109.2 44.3 -63.5 -41.5 52.8 95.4 -50.5 97 97 A D H < S- 0 0 9 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.937 91.9-164.3 -66.4 -46.2 49.0 95.7 -50.4 98 98 A G < + 0 0 60 -4,-1.7 -3,-0.1 1,-0.2 -1,-0.1 0.395 51.1 96.0 78.3 -3.2 49.4 99.1 -52.1 99 99 A T S > S- 0 0 37 -5,-0.2 3,-0.6 1,-0.1 -1,-0.2 -0.898 74.2-130.6-121.0 150.6 45.9 100.2 -51.2 100 100 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.853 108.9 51.8 -64.1 -36.6 44.5 102.4 -48.4 101 101 A N T 3 S- 0 0 57 -54,-0.1 -53,-2.8 -4,-0.1 6,-0.2 0.661 104.7-127.3 -72.7 -18.6 41.7 99.9 -47.5 102 102 A K <> + 0 0 6 -3,-0.6 4,-1.6 -55,-0.2 8,-0.2 0.802 63.7 147.0 69.1 28.8 44.2 97.1 -47.3 103 103 A G T 4 + 0 0 29 3,-0.2 -5,-0.0 2,-0.2 -1,-0.0 0.745 53.7 57.2 -69.5 -29.1 41.7 95.6 -49.7 104 104 A K T 4 S+ 0 0 143 1,-0.1 -1,-0.1 -7,-0.1 -35,-0.1 0.999 124.3 17.3 -65.8 -68.7 44.1 93.6 -51.9 105 105 A L T 4 S- 0 0 6 -12,-0.1 -36,-0.2 1,-0.1 -2,-0.2 0.838 115.4-112.0 -72.7 -36.4 45.8 91.4 -49.2 106 106 A G X - 0 0 0 -4,-1.6 4,-2.4 -57,-0.1 -57,-0.2 0.204 7.9-113.4 107.0 130.9 43.1 92.0 -46.6 107 107 A A H > S+ 0 0 1 -59,-2.6 4,-2.9 -6,-0.2 5,-0.2 0.841 118.6 56.6 -63.2 -33.1 43.3 93.8 -43.3 108 108 A N H > S+ 0 0 5 -60,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 108.1 47.4 -65.9 -37.0 42.8 90.5 -41.5 109 109 A A H > S+ 0 0 0 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.953 115.0 44.5 -69.0 -49.4 45.8 89.1 -43.3 110 110 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 114.4 49.3 -60.4 -47.2 48.0 92.1 -42.6 111 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.877 105.5 55.4 -63.1 -40.9 47.0 92.4 -38.9 112 112 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -90,-0.2 0.896 112.6 43.8 -59.0 -39.9 47.5 88.7 -38.1 113 113 A V H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.933 111.6 53.3 -69.9 -46.3 51.1 89.0 -39.3 114 114 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 230,-0.2 -2,-0.2 0.934 116.0 39.5 -53.2 -50.4 51.6 92.3 -37.5 115 115 A I H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.908 114.5 51.0 -68.4 -46.0 50.5 90.8 -34.2 116 116 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.961 110.8 51.6 -57.3 -49.0 52.1 87.4 -34.6 117 117 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.941 109.6 47.8 -51.4 -54.9 55.4 89.2 -35.4 118 118 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.896 114.0 47.1 -55.4 -44.5 55.2 91.5 -32.3 119 119 A R H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.874 109.0 54.9 -65.9 -37.2 54.4 88.5 -30.1 120 120 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.922 110.6 46.6 -60.2 -45.1 57.2 86.5 -31.7 121 121 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -38,-0.3 5,-0.3 0.945 108.5 52.8 -64.1 -49.9 59.6 89.3 -30.8 122 122 A A H X>S+ 0 0 6 -4,-2.6 5,-2.0 1,-0.2 4,-0.8 0.945 113.0 47.3 -50.5 -48.1 58.4 89.7 -27.2 123 123 A D H ><5S+ 0 0 84 -4,-2.4 3,-0.8 -92,-0.2 -1,-0.2 0.909 109.1 53.0 -59.4 -46.0 59.0 86.0 -26.9 124 124 A Y H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.911 114.3 41.9 -57.7 -44.4 62.5 86.2 -28.5 125 125 A L H 3<5S- 0 0 72 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.546 108.6-127.7 -79.9 -8.1 63.5 88.9 -26.0 126 126 A E T <<5 + 0 0 181 -4,-0.8 -3,-0.2 -3,-0.8 -4,-0.1 0.918 66.1 124.3 59.5 47.4 61.8 87.1 -23.1 127 127 A V < - 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0 0 18 -4,-3.0 -3,-0.1 1,-0.3 3,-0.1 0.859 67.9 -71.2 47.5 42.5 36.3 104.6 -37.5 319 319 A T T 3 S+ 0 0 0 18,-0.4 2,-0.9 -6,-0.3 -1,-0.3 0.731 98.9 142.7 48.0 24.3 39.9 104.4 -36.1 320 320 A N <> - 0 0 29 -3,-2.7 4,-2.3 1,-0.2 3,-0.4 -0.823 46.5-156.2 -98.0 102.8 40.8 106.6 -39.0 321 321 A T H > S+ 0 0 44 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.736 93.7 65.1 -48.1 -23.2 43.5 109.1 -37.9 322 322 A Q H > S+ 0 0 103 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.995 107.4 35.0 -62.1 -64.7 42.2 111.2 -40.8 323 323 A K H > S+ 0 0 19 -3,-0.4 4,-2.0 -6,-0.3 -2,-0.2 0.805 112.4 64.2 -61.3 -31.5 38.7 111.7 -39.4 324 324 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.3 -1,-0.2 0.913 104.0 44.7 -59.6 -46.5 40.2 111.9 -35.9 325 325 A S H X S+ 0 0 52 -4,-1.7 4,-2.5 -3,-0.5 -1,-0.2 0.814 108.4 59.0 -69.0 -29.7 42.2 115.1 -36.7 326 326 A E H X S+ 0 0 61 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.5 40.8 -64.4 -40.1 39.1 116.5 -38.4 327 327 A G H X>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 4,-1.8 0.907 111.4 56.1 -73.9 -41.1 37.3 116.1 -35.1 328 328 A I H <5S+ 0 0 49 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.903 111.5 44.2 -57.1 -42.2 40.2 117.3 -33.1 329 329 A E H <5S+ 0 0 155 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.990 117.3 42.4 -66.0 -60.8 40.4 120.6 -35.1 330 330 A K H <5S- 0 0 114 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.668 114.2-120.4 -61.1 -15.9 36.6 121.2 -35.1 331 331 A G T <5 + 0 0 27 -4,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.890 56.0 154.6 77.7 41.6 36.6 120.2 -31.5 332 332 A I < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.1 -33,-0.2 -0.857 52.3 -11.4-105.6 138.0 34.2 117.3 -31.6 333 333 A A - 0 0 3 -35,-0.6 -21,-0.2 -2,-0.4 3,-0.1 0.074 57.8-132.5 65.4 176.9 34.2 114.5 -29.0 334 334 A N S S+ 0 0 14 -23,-2.4 28,-0.4 1,-0.4 2,-0.2 -0.020 79.8 42.4-158.2 36.5 37.0 114.0 -26.5 335 335 A S - 0 0 0 -24,-0.4 -22,-1.6 26,-0.2 2,-0.4 -0.831 63.7-147.9 179.7 142.4 37.8 110.3 -26.8 336 336 A I E -fg 313 363D 1 26,-3.3 28,-2.2 -2,-0.2 2,-0.6 -0.967 15.5-131.2-126.2 140.0 38.2 107.8 -29.6 337 337 A L E - g 0 364D 0 -24,-1.4 2,-0.6 -2,-0.4 -18,-0.4 -0.806 24.2-147.9 -90.9 122.9 37.4 104.1 -29.7 338 338 A I E - g 0 365D 0 26,-1.9 28,-2.6 -2,-0.6 2,-0.6 -0.822 16.4-177.4 -98.6 117.1 40.4 102.1 -31.0 339 339 A K >> - 0 0 27 -2,-0.6 3,-1.1 26,-0.2 4,-0.9 -0.938 13.5-156.7-114.1 110.8 39.6 99.0 -33.0 340 340 A V H >> S+ 0 0 9 -2,-0.6 4,-2.5 26,-0.4 3,-1.0 0.880 91.6 47.5 -51.9 -51.9 42.8 97.2 -34.1 341 341 A N H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -301,-0.2 0.639 106.7 63.6 -68.6 -10.9 41.5 95.2 -37.0 342 342 A Q H <4 S+ 0 0 10 -3,-1.1 -295,-1.9 1,-0.1 -1,-0.2 0.759 111.3 33.0 -83.4 -27.0 39.8 98.4 -38.2 343 343 A I H << S- 0 0 17 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.1 0.783 103.7-133.6 -97.0 -36.6 43.1 100.3 -38.7 344 344 A G < + 0 0 0 -4,-2.5 2,-0.3 -5,-0.2 -230,-0.2 -0.118 65.0 42.0 117.2 -42.7 45.2 97.3 -39.8 345 345 A T S > S- 0 0 0 -5,-0.1 4,-1.4 1,-0.1 -234,-0.1 -0.865 73.4-114.8-136.1 171.0 48.5 97.1 -38.0 346 346 A L H > S+ 0 0 3 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.879 113.5 51.7 -75.4 -38.1 50.0 97.6 -34.6 347 347 A T H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 110.7 48.7 -69.2 -30.8 52.1 100.6 -35.5 348 348 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.3 52.5 -73.7 -35.8 49.1 102.3 -37.0 349 349 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.968 111.4 45.4 -61.9 -53.2 47.1 101.5 -33.9 350 350 A F H X S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.871 109.1 55.8 -59.7 -37.3 49.8 103.0 -31.6 351 351 A E H X S+ 0 0 111 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.912 108.7 48.5 -61.6 -40.6 50.1 106.1 -33.9 352 352 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 109.3 51.8 -64.3 -46.0 46.4 106.6 -33.4 353 353 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.865 112.6 46.6 -59.4 -37.3 46.6 106.3 -29.6 354 354 A E H X S+ 0 0 120 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.882 110.2 50.9 -73.9 -39.3 49.4 108.8 -29.5 355 355 A M H X S+ 0 0 60 -4,-2.2 4,-0.8 2,-0.2 6,-0.2 0.928 112.7 48.7 -63.3 -42.9 47.7 111.3 -31.8 356 356 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 3,-1.4 0.960 110.8 48.9 -59.9 -54.7 44.6 111.0 -29.6 357 357 A K H ><5S+ 0 0 69 -4,-2.4 3,-3.0 1,-0.3 -2,-0.2 0.929 106.6 56.1 -51.6 -50.8 46.6 111.5 -26.4 358 358 A E H 3<5S+ 0 0 147 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.723 104.2 55.3 -56.9 -20.7 48.4 114.5 -27.7 359 359 A A T <<5S- 0 0 36 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.372 121.8-108.2 -92.3 4.1 45.0 116.1 -28.4 360 360 A G T < 5S+ 0 0 38 -3,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.659 79.9 135.5 77.1 12.8 44.0 115.6 -24.7 361 361 A Y < - 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