==== 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 05-JUN-98 1SAY . COMPND 2 MOLECULE: L-ALANINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHORMIDIUM LAPIDEUM; . AUTHOR P.J.BAKER,Y.SAWA,H.SHIBATA,S.E.SEDELNIKOVA,D.W.RICE . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.4 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 . 4 1.1 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 . 1 0.3 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 . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 1 1 1 1 0 2 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 5 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 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 M 0 0 50 0, 0.0 31,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.9 -11.7 35.5 32.5 2 2 A E E -a 32 0A 64 29,-0.2 67,-1.0 31,-0.1 2,-0.4 -0.829 360.0-174.1 -93.8 129.5 -9.7 38.1 30.6 3 3 A I E -ab 33 69A 0 29,-2.6 31,-3.5 -2,-0.5 2,-0.4 -0.975 5.5-158.8-125.4 132.8 -7.0 36.7 28.4 4 4 A G E -ab 34 70A 0 65,-2.9 67,-2.0 -2,-0.4 31,-0.2 -0.881 7.7-164.2-114.6 146.6 -4.5 38.7 26.5 5 5 A V E -a 35 0A 1 29,-2.9 31,-2.7 -2,-0.4 34,-0.1 -0.890 11.6-165.7-130.9 100.8 -2.4 37.8 23.5 6 6 A P - 0 0 0 0, 0.0 11,-0.4 0, 0.0 2,-0.2 -0.439 34.2 -96.0 -77.0 159.9 0.5 40.1 22.8 7 7 A K - 0 0 86 -2,-0.1 2,-0.2 30,-0.1 32,-0.1 -0.548 43.6-108.5 -74.5 137.6 2.3 40.0 19.5 8 8 A E - 0 0 10 7,-0.4 -1,-0.1 31,-0.4 5,-0.1 -0.493 35.5-177.0 -66.0 132.7 5.5 37.8 19.6 9 9 A I + 0 0 77 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.542 40.4 116.6-111.8 -8.4 8.5 40.2 19.5 10 10 A K S > S- 0 0 81 1,-0.1 3,-1.9 65,-0.1 2,-0.1 -0.267 82.3 -87.5 -59.7 144.2 11.3 37.7 19.4 11 11 A N T 3 S- 0 0 137 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.336 108.1 -0.5 -59.5 125.9 13.3 37.8 16.2 12 12 A Q T 3 S+ 0 0 80 1,-0.3 2,-0.7 -2,-0.1 -1,-0.3 0.658 93.4 135.8 72.4 14.5 12.0 35.6 13.5 13 13 A E < + 0 0 14 -3,-1.9 -1,-0.3 1,-0.1 29,-0.1 -0.880 17.5 161.7 -96.9 118.5 9.1 34.4 15.7 14 14 A F + 0 0 84 -2,-0.7 -1,-0.1 288,-0.2 295,-0.1 0.329 38.7 102.3-116.1 -2.3 5.9 34.4 13.7 15 15 A R - 0 0 5 27,-0.1 -7,-0.4 28,-0.1 2,-0.3 -0.269 58.9-142.7 -76.4 174.1 3.7 32.2 15.6 16 16 A V - 0 0 1 289,-0.2 56,-0.1 -9,-0.1 -9,-0.1 -0.985 19.3-119.3-140.2 147.0 1.0 33.5 17.9 17 17 A G S S+ 0 0 0 -11,-0.4 2,-0.4 -2,-0.3 55,-0.2 0.840 97.0 19.3 -54.0 -39.5 -0.4 32.4 21.3 18 18 A L - 0 0 0 53,-0.2 -1,-0.1 -3,-0.0 292,-0.1 -1.000 69.4-143.9-138.4 138.4 -3.9 31.7 20.1 19 19 A S > - 0 0 6 -2,-0.4 4,-2.4 290,-0.2 3,-0.2 -0.489 37.2-100.9 -89.2 169.9 -5.4 31.1 16.7 20 20 A P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 122.7 53.9 -58.8 -40.6 -8.8 32.4 15.7 21 21 A S H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 109.5 48.6 -62.2 -37.2 -10.4 29.0 16.2 22 22 A S H > S+ 0 0 7 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 109.0 52.4 -69.0 -43.2 -9.1 28.9 19.7 23 23 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 3,-0.3 0.951 106.0 54.3 -55.1 -50.7 -10.3 32.3 20.4 24 24 A R H X S+ 0 0 150 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.882 108.9 48.7 -53.6 -40.6 -13.8 31.4 19.3 25 25 A T H < S+ 0 0 57 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.845 111.4 48.5 -66.4 -39.7 -13.8 28.4 21.7 26 26 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.8 -3,-0.3 3,-1.0 0.897 111.4 50.0 -67.9 -45.2 -12.7 30.5 24.6 27 27 A V H ><5S+ 0 0 46 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.914 104.8 57.7 -60.0 -44.0 -15.2 33.1 23.9 28 28 A E T 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.607 101.6 58.8 -62.9 -11.0 -18.0 30.5 23.7 29 29 A A T < 5S- 0 0 50 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.329 127.4 -97.5-100.2 5.7 -17.0 29.5 27.3 30 30 A G T < 5S+ 0 0 67 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.406 83.5 128.5 95.3 0.2 -17.7 33.0 28.6 31 31 A H < - 0 0 16 -5,-1.8 2,-0.4 -6,-0.1 -1,-0.3 -0.501 50.1-138.1 -89.6 156.9 -14.2 34.3 28.5 32 32 A T E -a 2 0A 40 -31,-2.6 -29,-2.6 -2,-0.2 2,-0.4 -0.946 15.3-159.1-117.3 137.7 -13.0 37.5 26.9 33 33 A V E -a 3 0A 0 -2,-0.4 23,-2.7 21,-0.4 2,-0.5 -0.959 6.9-164.1-123.6 133.6 -9.8 37.8 24.8 34 34 A F E -ac 4 56A 13 -31,-3.5 -29,-2.9 -2,-0.4 2,-0.4 -0.956 12.0-174.0-117.7 125.2 -7.7 40.7 23.9 35 35 A I E -ac 5 57A 2 21,-2.3 23,-3.0 -2,-0.5 2,-0.2 -0.970 27.0-117.3-125.7 131.7 -5.3 40.5 21.2 36 36 A E E > - c 0 58A 27 -31,-2.7 3,-2.4 -2,-0.4 4,-0.2 -0.472 44.2 -99.2 -65.2 130.9 -2.7 43.0 20.0 37 37 A T T 3 S+ 0 0 41 21,-3.6 -30,-0.1 1,-0.3 -1,-0.1 -0.115 109.0 16.7 -48.8 140.6 -3.3 44.1 16.5 38 38 A Q T > S+ 0 0 84 -3,-0.1 3,-0.5 1,-0.1 4,-0.5 0.414 87.5 124.5 75.2 -6.4 -1.1 42.3 13.9 39 39 A A T < S+ 0 0 5 -3,-2.4 -31,-0.4 1,-0.2 3,-0.3 0.867 80.0 35.0 -52.6 -39.6 -0.3 39.6 16.5 40 40 A G T > >S+ 0 0 0 -4,-0.2 5,-2.3 5,-0.2 3,-1.6 0.553 90.0 97.0 -94.2 -9.2 -1.5 36.8 14.1 41 41 A I G X 5S+ 0 0 80 -3,-0.5 3,-1.3 1,-0.3 -1,-0.2 0.831 78.6 54.1 -54.1 -37.0 -0.4 38.3 10.9 42 42 A G G 3 5S+ 0 0 36 -4,-0.5 -1,-0.3 1,-0.3 264,-0.2 0.747 111.5 48.3 -69.9 -21.0 2.9 36.3 10.6 43 43 A A G < 5S- 0 0 3 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.340 127.1-100.2 -97.3 0.2 0.9 33.1 11.0 44 44 A G T < 5S+ 0 0 51 -3,-1.3 2,-0.6 -4,-0.4 -3,-0.2 0.657 83.2 125.4 88.7 19.3 -1.7 34.2 8.4 45 45 A F < - 0 0 18 -5,-2.3 -5,-0.2 -7,-0.1 -1,-0.2 -0.942 45.0-154.2-113.5 115.2 -4.5 35.4 10.8 46 46 A A > - 0 0 39 -2,-0.6 4,-1.3 -6,-0.1 3,-0.5 -0.468 30.3-108.4 -84.1 160.8 -5.7 38.9 10.2 47 47 A D H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.869 119.9 58.0 -54.1 -40.1 -7.3 41.0 13.0 48 48 A Q H > S+ 0 0 134 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.910 100.3 57.4 -59.6 -37.3 -10.7 40.6 11.3 49 49 A D H > S+ 0 0 67 -3,-0.5 4,-0.7 1,-0.3 -1,-0.3 0.882 109.2 45.5 -59.9 -35.0 -10.3 36.9 11.6 50 50 A Y H X>S+ 0 0 0 -4,-1.3 5,-2.3 -3,-0.4 4,-0.9 0.841 110.4 54.0 -75.4 -33.7 -9.9 37.6 15.3 51 51 A V H ><5S+ 0 0 79 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.952 105.1 52.0 -66.2 -45.0 -12.9 39.9 15.3 52 52 A Q H 3<5S+ 0 0 145 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 107.6 55.8 -62.0 -23.4 -15.2 37.3 13.8 53 53 A A H 3<5S- 0 0 13 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.698 125.5 -97.6 -84.3 -19.5 -14.1 35.0 16.5 54 54 A G T <<5S+ 0 0 34 -3,-1.2 -21,-0.4 -4,-0.9 2,-0.2 0.479 75.4 137.7 117.3 7.0 -15.1 37.3 19.4 55 55 A A < - 0 0 9 -5,-2.3 2,-0.6 -8,-0.1 -1,-0.3 -0.551 51.5-133.0 -83.9 151.5 -11.8 38.9 20.3 56 56 A Q E -c 34 0A 91 -23,-2.7 -21,-2.3 -2,-0.2 2,-0.6 -0.879 25.6-137.4 -98.5 123.1 -11.3 42.5 21.1 57 57 A V E -c 35 0A 51 -2,-0.6 -21,-0.2 -23,-0.2 -23,-0.1 -0.783 18.3-153.0 -86.8 120.8 -8.3 43.6 19.0 58 58 A V E -c 36 0A 11 -23,-3.0 -21,-3.6 -2,-0.6 6,-0.1 -0.726 13.5-140.6 -97.6 142.7 -6.0 45.9 21.1 59 59 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.643 79.3 37.5 -75.4 -17.6 -3.8 48.6 19.7 60 60 A S S >> S- 0 0 37 1,-0.1 4,-1.1 -25,-0.0 3,-0.6 -0.989 72.1-123.5-140.4 154.9 -0.8 47.9 22.0 61 61 A A H 3> S+ 0 0 28 -2,-0.3 4,-3.2 1,-0.3 3,-0.3 0.821 112.4 61.9 -57.0 -37.8 1.2 45.3 23.8 62 62 A K H 3> S+ 0 0 144 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.916 102.8 50.4 -56.1 -44.2 0.5 47.0 27.1 63 63 A D H <4 S+ 0 0 52 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.747 113.0 45.9 -66.2 -27.9 -3.2 46.4 26.5 64 64 A A H >< S+ 0 0 0 -4,-1.1 3,-0.6 -3,-0.3 -2,-0.2 0.837 113.3 48.4 -83.3 -35.5 -2.5 42.8 25.8 65 65 A W H 3< S+ 0 0 0 -4,-3.2 20,-0.2 1,-0.2 -2,-0.2 0.626 92.4 78.4 -77.7 -19.6 -0.2 42.3 28.8 66 66 A S T 3< S+ 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 2,-0.2 0.083 77.0 104.1 -78.9 23.7 -2.5 44.0 31.3 67 67 A R S < S- 0 0 41 -3,-0.6 18,-0.2 1,-0.1 22,-0.2 -0.664 81.4-115.4-109.2 163.6 -4.7 40.9 31.5 68 68 A E S S+ 0 0 97 -66,-0.3 21,-2.3 -2,-0.2 2,-0.4 0.730 104.9 33.1 -64.7 -28.2 -5.2 38.2 34.1 69 69 A M E -bd 3 89A 0 -67,-1.0 -65,-2.9 19,-0.2 2,-0.5 -0.997 67.1-165.6-132.8 128.2 -3.8 35.5 31.8 70 70 A V E -bd 4 90A 0 19,-2.9 21,-2.2 -2,-0.4 2,-0.6 -0.965 5.1-166.7-115.2 122.9 -1.3 36.0 29.2 71 71 A V E + d 0 91A 0 -67,-2.0 -54,-0.3 -2,-0.5 2,-0.2 -0.972 23.3 153.4-112.4 117.6 -1.0 33.2 26.6 72 72 A K - 0 0 1 19,-2.3 -56,-0.1 -2,-0.6 3,-0.1 -0.780 45.2-135.2-131.2 178.6 2.2 33.4 24.4 73 73 A V S S+ 0 0 0 -2,-0.2 20,-1.7 19,-0.2 2,-0.2 0.843 85.5 35.2-101.6 -54.2 4.6 31.2 22.4 74 74 A K S S- 0 0 26 18,-0.2 20,-0.1 1,-0.1 3,-0.1 -0.468 93.9 -84.0 -98.4 172.3 8.1 32.5 23.5 75 75 A E - 0 0 32 -2,-0.2 -1,-0.1 19,-0.1 19,-0.1 -0.331 53.4 -92.3 -74.6 154.8 9.5 33.7 26.8 76 76 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -68,-0.0 -0.373 41.8-141.7 -65.9 144.6 9.1 37.3 27.8 77 77 A L > - 0 0 38 1,-0.1 3,-2.6 -3,-0.1 4,-0.4 -0.724 26.4-101.4-106.4 159.0 12.0 39.5 26.7 78 78 A P G > S+ 0 0 91 0, 0.0 3,-3.3 0, 0.0 4,-0.5 0.910 120.6 64.2 -42.8 -50.8 13.5 42.4 28.7 79 79 A A G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.799 108.1 43.0 -45.3 -29.3 11.6 44.9 26.6 80 80 A E G X> S+ 0 0 4 -3,-2.6 3,-1.8 1,-0.2 4,-0.7 0.380 83.1 100.3 -98.9 -0.7 8.4 43.4 28.1 81 81 A Y G X4 S+ 0 0 37 -3,-3.3 3,-0.7 -4,-0.4 -1,-0.2 0.875 82.9 50.0 -54.3 -38.7 9.7 43.2 31.7 82 82 A D G 34 S+ 0 0 159 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.455 101.8 64.2 -80.5 -1.3 7.8 46.3 32.7 83 83 A L G <4 S+ 0 0 35 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.631 81.2 98.5 -94.9 -17.6 4.5 45.1 31.1 84 84 A M << - 0 0 14 -4,-0.7 2,-0.3 -3,-0.7 -18,-0.1 -0.363 61.3-150.2 -73.2 152.0 4.2 42.1 33.4 85 85 A Q > - 0 0 86 -20,-0.2 3,-1.1 -18,-0.2 26,-0.1 -0.895 20.5-110.7-127.0 156.7 1.9 42.4 36.5 86 86 A K T 3 S+ 0 0 120 -2,-0.3 259,-0.2 1,-0.2 -1,-0.1 0.803 108.5 34.9 -53.6 -50.0 1.8 40.9 40.0 87 87 A D T 3 S+ 0 0 160 24,-0.1 -1,-0.2 2,-0.1 23,-0.1 0.384 89.0 131.6 -97.3 12.7 -1.1 38.6 39.9 88 88 A Q < - 0 0 3 -3,-1.1 24,-2.8 1,-0.1 2,-0.5 -0.146 52.1-138.1 -61.1 154.6 -0.9 37.3 36.3 89 89 A L E -de 69 112A 11 -21,-2.3 -19,-2.9 22,-0.2 2,-0.5 -0.920 23.2-165.2-108.0 123.6 -1.0 33.9 35.0 90 90 A L E +de 70 113A 0 22,-2.5 24,-3.7 -2,-0.5 2,-0.4 -0.982 9.4 179.6-117.1 129.6 1.7 33.5 32.3 91 91 A F E +de 71 114A 1 -21,-2.2 -19,-2.3 -2,-0.5 2,-0.3 -0.961 33.0 97.8-131.4 110.0 1.5 30.4 30.0 92 92 A T E S- e 0 115A 0 22,-1.7 24,-2.4 -2,-0.4 2,-0.6 -0.940 80.1 -60.3-170.5-176.6 4.2 30.0 27.3 93 93 A Y + 0 0 7 -20,-1.7 22,-0.1 -2,-0.3 -2,-0.1 -0.799 55.8 166.1 -84.0 125.1 7.5 28.3 26.5 94 94 A L - 0 0 2 -2,-0.6 -1,-0.2 -19,-0.1 -19,-0.1 0.850 21.9-165.6-107.5 -52.6 10.0 29.6 29.2 95 95 A H > + 0 0 85 1,-0.1 3,-1.3 2,-0.1 4,-0.2 0.952 18.4 173.2 58.8 50.4 13.1 27.4 29.3 96 96 A L G > + 0 0 1 1,-0.3 3,-2.1 2,-0.2 7,-0.2 0.796 63.7 74.5 -60.2 -33.0 14.1 29.0 32.6 97 97 A A G 3 S+ 0 0 56 1,-0.3 -1,-0.3 6,-0.0 3,-0.1 0.441 103.6 42.8 -63.5 3.7 17.1 26.6 33.2 98 98 A A G < S+ 0 0 90 -3,-1.3 2,-0.4 1,-0.1 -1,-0.3 0.393 108.5 61.5-125.3 -3.2 18.8 28.7 30.6 99 99 A A <> + 0 0 29 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 -0.733 47.3 170.5-134.1 87.4 17.7 32.2 31.7 100 100 A R H > S+ 0 0 89 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.937 84.4 47.7 -56.7 -54.1 18.8 33.3 35.2 101 101 A E H > S+ 0 0 127 2,-0.2 4,-3.8 1,-0.2 -1,-0.2 0.910 111.4 48.3 -58.2 -46.9 17.7 36.9 34.7 102 102 A L H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.948 112.8 50.9 -58.3 -47.5 14.2 36.0 33.3 103 103 A T H X S+ 0 0 0 -4,-2.6 4,-1.8 -7,-0.2 -2,-0.2 0.943 113.2 43.8 -55.3 -48.9 13.9 33.6 36.2 104 104 A E H X S+ 0 0 57 -4,-3.1 4,-2.8 1,-0.2 3,-0.2 0.953 111.7 55.7 -59.8 -47.2 14.8 36.3 38.7 105 105 A Q H X S+ 0 0 10 -4,-3.8 4,-2.0 1,-0.3 -1,-0.2 0.878 108.1 46.1 -50.3 -48.8 12.6 38.7 36.8 106 106 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 240,-0.3 0.826 111.1 54.7 -68.2 -30.2 9.5 36.5 37.1 107 107 A M H < S+ 0 0 31 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.947 106.5 50.4 -67.7 -45.9 10.4 36.0 40.8 108 108 A R H < S+ 0 0 171 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.968 110.9 47.9 -52.6 -63.9 10.5 39.8 41.5 109 109 A V H < S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.830 97.7-140.0 -49.3 -43.9 7.1 40.5 39.9 110 110 A G < + 0 0 8 -4,-1.7 235,-1.5 1,-0.2 237,-0.2 0.256 48.8 139.7 101.5 -13.9 5.3 37.6 41.7 111 111 A L - 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N 0 289C 0 -3,-1.3 -3,-1.7 -33,-0.2 2,-0.3 -0.864 60.1-127.3-101.2 124.5 30.1 18.7 4.2 293 293 A V E -mN 262 288C 2 -32,-2.2 -30,-2.5 -2,-0.5 2,-0.5 -0.528 21.1-159.4 -74.0 129.8 27.3 21.2 4.5 294 294 A H E -mN 263 287C 0 -7,-3.5 -7,-1.8 -2,-0.3 2,-0.5 -0.944 6.5-166.0-114.9 128.9 26.1 21.9 8.0 295 295 A Y E +mN 264 286C 23 -32,-2.1 -30,-0.7 -2,-0.5 -9,-0.2 -0.945 17.8 162.0-110.3 121.2 22.7 23.4 8.7 296 296 A G + 0 0 0 -11,-2.0 -16,-1.7 -2,-0.5 -10,-0.1 0.133 18.9 134.6-130.3 23.1 22.4 24.6 12.3 297 297 A V - 0 0 6 -12,-0.3 3,-0.1 -18,-0.2 -16,-0.1 -0.576 46.0-140.4 -76.8 130.9 19.4 27.0 12.4 298 298 A P S S+ 0 0 35 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.377 70.3 40.1 -91.1 173.4 17.3 26.2 15.4 299 299 A N > - 0 0 69 -33,-0.2 3,-1.6 -2,-0.1 4,-0.2 0.972 60.8-177.2 55.5 61.1 13.6 26.2 16.0 300 300 A M G > S+ 0 0 14 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.868 73.8 67.2 -56.8 -38.8 12.7 24.6 12.6 301 301 A P G > S+ 0 0 7 0, 0.0 3,-1.6 0, 0.0 7,-0.3 0.680 81.9 77.3 -57.4 -19.1 8.9 24.8 13.3 302 302 A G G < S+ 0 0 9 -3,-1.6 -288,-0.2 1,-0.3 -2,-0.2 0.677 81.2 70.1 -65.0 -14.5 9.2 28.6 13.1 303 303 A A G < S+ 0 0 62 -3,-2.2 -1,-0.3 1,-0.3 3,-0.1 0.678 103.8 40.5 -74.4 -20.8 9.4 28.2 9.3 304 304 A V <> + 0 0 41 -3,-1.6 4,-3.3 -4,-0.2 -1,-0.3 -0.550 67.1 161.2-129.1 67.6 5.7 27.2 9.2 305 305 A P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.794 73.6 56.4 -59.3 -33.8 3.9 29.5 11.6 306 306 A W H > S+ 0 0 139 -264,-0.2 4,-1.4 2,-0.2 5,-0.2 0.982 116.3 35.4 -64.1 -53.1 0.4 28.8 10.2 307 307 A T H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 119.4 51.3 -64.3 -46.3 0.7 25.1 10.6 308 308 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 -7,-0.3 5,-0.2 0.852 105.2 54.5 -61.0 -41.0 2.7 25.4 14.0 309 309 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.929 112.4 43.4 -60.7 -46.6 0.3 27.7 15.7 310 310 A Q H X S+ 0 0 54 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.920 112.3 52.4 -66.6 -43.1 -2.6 25.4 15.1 311 311 A A H X S+ 0 0 26 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.916 113.3 45.0 -58.6 -41.7 -0.7 22.3 16.1 312 312 A L H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-1.5 0.975 112.8 50.2 -67.6 -50.4 0.4 24.0 19.3 313 313 A N H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.804 100.9 63.2 -56.4 -34.4 -3.1 25.3 20.1 314 314 A N H 3< S+ 0 0 127 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.825 114.8 34.4 -63.3 -29.4 -4.7 21.9 19.5 315 315 A S H << S+ 0 0 38 -3,-1.5 4,-0.4 -4,-0.8 -2,-0.2 0.821 121.4 43.4 -93.3 -36.3 -2.6 20.8 22.4 316 316 A T H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.9 0.786 94.3 83.9 -78.1 -29.6 -2.6 23.8 24.7 317 317 A L H 3X S+ 0 0 28 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.861 85.4 50.0 -41.7 -59.2 -6.2 24.6 24.3 318 318 A P H 3> S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.867 114.8 48.5 -55.3 -30.0 -7.7 22.3 26.9 319 319 A Y H <> S+ 0 0 28 -3,-0.9 4,-2.4 -4,-0.4 -2,-0.2 0.895 107.8 52.4 -76.0 -39.6 -5.2 23.7 29.4 320 320 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.928 110.7 48.7 -61.4 -42.6 -5.9 27.3 28.5 321 321 A V H X S+ 0 0 29 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.883 109.7 51.0 -64.1 -42.3 -9.6 26.7 29.1 322 322 A K H X S+ 0 0 64 -4,-1.7 4,-2.8 -5,-0.2 5,-0.4 0.936 112.5 46.9 -59.8 -50.3 -9.1 24.9 32.4 323 323 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 111.2 51.3 -59.3 -44.8 -7.0 27.8 33.6 324 324 A A H < S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.911 118.8 38.3 -61.5 -37.8 -9.5 30.3 32.4 325 325 A N H < S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.996 131.2 22.1 -75.2 -64.1 -12.2 28.5 34.2 326 326 A Q H >< S- 0 0 74 -4,-2.8 3,-2.1 1,-0.2 4,-0.3 0.390 84.5-163.5 -88.3 0.5 -10.6 27.4 37.5 327 327 A G G >< S- 0 0 17 -4,-2.0 3,-1.7 -5,-0.4 4,-0.2 -0.160 73.3 -7.3 48.0-139.2 -7.8 29.9 37.6 328 328 A L G > S+ 0 0 74 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.672 126.2 71.9 -59.9 -20.4 -5.2 28.7 40.1 329 329 A K G X> S+ 0 0 152 -3,-2.1 3,-2.7 1,-0.3 4,-0.7 0.785 79.5 77.2 -67.4 -24.8 -7.3 25.7 41.4 330 330 A A H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.3 3,-0.4 0.754 83.4 65.4 -55.9 -24.4 -6.7 23.9 38.2 331 331 A L H <4 S+ 0 0 20 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.693 103.7 45.7 -73.8 -15.0 -3.2 23.2 39.4 332 332 A E H <4 S+ 0 0 173 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.524 116.9 43.1-102.8 -7.0 -4.8 21.0 42.2 333 333 A T H < S+ 0 0 84 -4,-0.7 2,-0.6 -3,-0.4 -2,-0.2 0.650 114.8 55.4-103.9 -27.4 -7.2 19.3 39.8 334 334 A D X - 0 0 19 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 -0.925 55.4-173.6-117.3 113.8 -4.5 18.8 37.1 335 335 A D H > S+ 0 0 131 -2,-0.6 4,-1.9 2,-0.2 -215,-0.2 0.872 89.4 52.9 -68.6 -38.7 -1.3 17.1 37.8 336 336 A A H > S+ 0 0 6 2,-0.2 -216,-1.0 1,-0.2 4,-0.7 0.926 112.6 45.0 -62.8 -45.9 0.2 17.8 34.4 337 337 A L H >> S+ 0 0 0 1,-0.2 3,-1.1 2,-0.2 4,-1.0 0.894 107.8 57.4 -62.6 -44.6 -0.5 21.5 34.9 338 338 A A H >< S+ 0 0 40 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.903 105.9 51.7 -52.9 -40.4 0.8 21.3 38.4 339 339 A K H 3< S+ 0 0 98 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.703 101.8 60.8 -70.6 -20.8 4.1 20.1 36.9 340 340 A G H << S+ 0 0 0 -3,-1.1 -225,-2.5 -4,-0.7 -1,-0.3 0.695 78.0 109.5 -80.1 -20.3 4.1 23.0 34.5 341 341 A L E << +F 114 0A 18 -4,-1.0 -227,-0.2 -3,-0.8 3,-0.1 -0.382 33.5 161.2 -60.8 125.9 4.3 25.4 37.3 342 342 A N E + 0 0 2 -229,-3.0 7,-1.8 1,-0.4 8,-1.8 0.749 61.0 16.9-112.2 -46.8 7.7 27.0 37.4 343 343 A V E +FG 113 348A 0 -230,-1.4 -230,-2.6 5,-0.2 -1,-0.4 -0.997 60.9 164.4-134.8 140.3 7.4 30.3 39.5 344 344 A Q E > - G 0 347A 60 3,-2.4 3,-2.8 -2,-0.4 -232,-0.2 -0.970 65.1 -5.8-157.1 137.9 4.8 31.5 41.9 345 345 A A T 3 S- 0 0 50 -235,-1.5 -234,-0.1 -2,-0.3 3,-0.1 0.812 127.4 -53.7 50.7 36.6 4.5 34.2 44.5 346 346 A H T 3 S+ 0 0 89 -235,-0.5 2,-0.3 -240,-0.3 -1,-0.3 0.382 115.3 114.6 81.9 -5.1 8.2 35.1 44.1 347 347 A R E < -G 344 0A 189 -3,-2.8 -3,-2.4 -237,-0.2 2,-0.9 -0.768 68.3-130.1-100.8 147.5 9.3 31.5 44.7 348 348 A L E +G 343 0A 4 12,-0.4 -5,-0.2 -2,-0.3 -6,-0.0 -0.851 32.6 174.0 -91.9 104.4 11.0 29.3 42.1 349 349 A V + 0 0 61 -7,-1.8 -6,-0.2 -2,-0.9 -1,-0.1 0.649 39.6 104.6 -88.4 -21.3 8.8 26.1 42.3 350 350 A H >> - 0 0 25 -8,-1.8 4,-2.5 1,-0.2 3,-1.4 -0.551 58.4-152.2 -76.3 113.3 10.2 24.0 39.6 351 351 A P H 3> S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.778 94.8 48.8 -48.0 -39.7 12.4 21.2 40.9 352 352 A A H 34 S+ 0 0 50 2,-0.2 4,-0.2 1,-0.2 -2,-0.1 0.782 113.2 47.0 -75.4 -27.8 14.5 20.9 37.8 353 353 A V H X> S+ 0 0 7 -3,-1.4 4,-2.1 2,-0.2 3,-0.8 0.807 107.9 55.7 -82.9 -30.8 15.1 24.7 37.7 354 354 A Q H >< S+ 0 0 66 -4,-2.5 3,-0.8 1,-0.3 6,-0.3 0.989 101.9 57.8 -61.0 -53.4 15.9 24.8 41.4 355 355 A Q T 3< S+ 0 0 168 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.677 110.3 45.3 -46.6 -23.5 18.6 22.2 40.7 356 356 A V T <4 S+ 0 0 63 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.798 126.0 28.0 -92.6 -36.5 20.0 24.7 38.2 357 357 A F S XX S+ 0 0 21 -4,-2.1 3,-3.7 -3,-0.8 4,-0.8 -0.567 72.8 167.8-124.0 59.5 19.7 27.8 40.4 358 358 A P T 34 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.694 78.9 53.1 -47.8 -23.3 20.1 26.0 43.8 359 359 A D T 34 S+ 0 0 105 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.274 99.8 62.3 -95.2 3.4 20.6 29.4 45.4 360 360 A L T <4 0 0 25 -3,-3.7 -12,-0.4 -6,-0.3 -1,-0.2 0.580 360.0 360.0 -99.3 -16.2 17.5 30.7 43.8 361 361 A A < 0 0 104 -4,-0.8 -13,-0.3 -7,-0.2 -2,-0.2 0.994 360.0 360.0 -77.8 360.0 15.4 28.1 45.7