==== 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 TRANSFERASE 04-NOV-05 2EWM . COMPND 2 MOLECULE: (S)-1-PHENYLETHANOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOARCUS; . AUTHOR H.W.HOEFFKEN . 480 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 2 0 0 0 2 0 2 2 3 0 0 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A T 0 0 167 0, 0.0 2,-1.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 120.8 59.0 -62.9 -152.2 2 3 A Q > + 0 0 94 1,-0.2 3,-0.8 28,-0.1 27,-0.1 -0.709 360.0 174.6 -87.1 97.3 56.8 -65.8 -151.3 3 4 A R T 3 S+ 0 0 46 -2,-1.2 212,-0.2 1,-0.2 -1,-0.2 0.557 77.1 47.5 -79.6 -10.2 58.4 -67.0 -148.0 4 5 A L T > S+ 0 0 0 25,-1.9 3,-2.2 22,-0.1 -1,-0.2 0.176 75.5 149.3-116.9 17.3 55.7 -69.7 -147.4 5 6 A K T < S+ 0 0 87 -3,-0.8 26,-0.2 24,-0.4 25,-0.1 -0.240 74.8 7.4 -54.3 132.1 55.6 -71.3 -150.8 6 7 A D T 3 S+ 0 0 111 24,-1.4 2,-0.3 1,-0.3 -1,-0.3 0.588 99.8 128.3 70.7 9.9 54.6 -75.0 -150.6 7 8 A K < - 0 0 38 -3,-2.2 25,-2.8 23,-0.3 2,-0.5 -0.712 54.0-140.5 -94.4 149.2 53.9 -74.7 -146.9 8 9 A L E -a 32 0A 4 -2,-0.3 75,-2.3 23,-0.2 76,-2.3 -0.963 20.5-166.4-110.7 122.2 50.6 -76.0 -145.5 9 10 A A E -ab 33 84A 0 23,-2.7 25,-1.9 -2,-0.5 2,-0.5 -0.935 9.2-156.3-115.7 130.9 49.1 -73.7 -142.8 10 11 A V E -ab 34 85A 0 74,-3.5 76,-2.7 -2,-0.5 2,-0.4 -0.875 11.7-173.8-103.2 133.2 46.3 -74.6 -140.5 11 12 A I E > -ab 35 86A 0 23,-2.2 25,-1.4 -2,-0.5 3,-1.0 -0.913 11.1-153.1-134.4 108.1 44.3 -71.7 -139.0 12 13 A T E 3 S+a 36 0A 1 74,-1.8 76,-0.5 -2,-0.4 25,-0.2 -0.543 86.2 18.2 -76.9 142.1 41.6 -72.2 -136.4 13 14 A G T > S+ 0 0 14 23,-2.8 3,-0.8 -2,-0.2 6,-0.4 0.771 82.6 145.1 68.8 25.6 38.9 -69.5 -136.3 14 15 A G T < + 0 0 0 -3,-1.0 23,-0.1 22,-0.7 -2,-0.1 0.372 43.1 86.7 -78.6 5.9 40.0 -68.5 -139.8 15 16 A A T 3 S+ 0 0 1 21,-0.2 2,-0.3 24,-0.1 -1,-0.2 0.798 99.2 6.4 -75.9 -27.9 36.4 -67.7 -140.9 16 17 A N S X> S+ 0 0 60 -3,-0.8 4,-1.4 27,-0.1 3,-0.8 -0.886 104.5 1.5-146.7 177.0 36.6 -64.1 -139.7 17 18 A G H 3> S- 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.067 120.5 -4.8 48.2-133.6 38.6 -61.3 -138.1 18 19 A I H 3> S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 132.9 58.3 -59.8 -41.8 42.3 -61.9 -137.4 19 20 A G H <> S+ 0 0 0 -3,-0.8 4,-2.8 -6,-0.4 -5,-0.2 0.945 109.2 44.0 -55.2 -50.9 42.1 -65.5 -138.4 20 21 A R H X S+ 0 0 56 -4,-1.4 4,-3.0 -7,-0.4 5,-0.3 0.963 111.6 52.5 -59.3 -53.9 40.9 -64.7 -141.9 21 22 A A H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 113.4 45.1 -49.9 -45.2 43.4 -61.8 -142.4 22 23 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.939 110.8 52.6 -65.9 -47.2 46.2 -64.2 -141.4 23 24 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.914 114.2 43.8 -54.4 -44.7 44.9 -67.0 -143.6 24 25 A E H X S+ 0 0 67 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.900 111.0 52.8 -68.8 -42.4 44.8 -64.7 -146.6 25 26 A R H X S+ 0 0 44 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.897 109.2 51.5 -61.0 -37.4 48.2 -63.1 -145.9 26 27 A F H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 -1,-0.2 0.881 107.1 52.1 -66.6 -37.1 49.7 -66.6 -145.8 27 28 A A H ><5S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.884 106.6 53.3 -65.5 -39.0 48.1 -67.4 -149.2 28 29 A V H 3<5S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 105.5 55.9 -61.5 -35.5 49.7 -64.3 -150.6 29 30 A E T 3<5S- 0 0 17 -4,-1.5 -25,-1.9 -5,-0.2 -24,-0.4 0.507 129.3 -99.4 -75.1 -6.8 52.9 -65.6 -149.2 30 31 A G T < 5S+ 0 0 1 -3,-1.5 -24,-1.4 1,-0.3 -23,-0.3 0.551 77.6 132.0 102.0 9.1 52.4 -68.8 -151.2 31 32 A A < - 0 0 0 -5,-2.3 -1,-0.3 -26,-0.2 2,-0.3 -0.567 53.0-123.8 -94.9 158.0 51.0 -71.2 -148.6 32 33 A D E -a 8 0A 32 -25,-2.8 -23,-2.7 -28,-0.2 2,-0.4 -0.691 31.0-133.8 -94.0 153.6 48.0 -73.5 -148.9 33 34 A I E -ac 9 55A 0 21,-2.6 23,-2.1 -2,-0.3 2,-0.4 -0.878 23.3-175.6-120.4 146.4 45.3 -73.2 -146.2 34 35 A A E -ac 10 56A 0 -25,-1.9 -23,-2.2 -2,-0.4 2,-0.4 -0.957 20.6-162.0-133.8 109.0 43.2 -75.5 -144.0 35 36 A I E -ac 11 57A 0 21,-4.2 23,-1.9 -2,-0.4 2,-0.5 -0.787 10.1-167.6-101.3 139.1 40.6 -73.7 -142.0 36 37 A A E +ac 12 58A 0 -25,-1.4 -23,-2.8 -2,-0.4 -22,-0.7 -0.992 28.5 140.1-122.4 123.3 38.8 -75.0 -138.9 37 38 A D E - c 0 59A 25 21,-2.3 23,-1.9 -2,-0.5 24,-0.1 -0.990 58.1-119.3-161.6 156.8 35.8 -73.1 -137.7 38 39 A L S S+ 0 0 98 -2,-0.3 23,-0.1 21,-0.3 -1,-0.1 0.850 100.2 41.9 -66.9 -36.2 32.3 -73.4 -136.3 39 40 A V S S- 0 0 69 1,-0.1 21,-0.1 21,-0.1 19,-0.1 -0.740 100.8 -84.1-112.9 160.2 30.7 -71.6 -139.2 40 41 A P - 0 0 97 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.156 28.8-142.6 -57.8 155.1 31.4 -71.8 -143.0 41 42 A A > + 0 0 4 1,-0.2 4,-2.4 2,-0.1 5,-0.3 -0.411 40.1 150.0-120.1 55.8 34.2 -69.7 -144.5 42 43 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.929 75.6 45.6 -50.9 -56.0 32.7 -68.5 -147.8 43 44 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.883 114.2 50.0 -57.8 -42.4 34.6 -65.2 -148.0 44 45 A A H > S+ 0 0 0 -29,-0.2 4,-2.9 2,-0.2 5,-0.3 0.982 110.5 45.6 -62.2 -62.1 37.9 -66.9 -147.0 45 46 A E H X S+ 0 0 52 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.931 114.9 49.5 -46.0 -55.1 37.9 -69.8 -149.5 46 47 A A H X S+ 0 0 35 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.930 111.8 48.3 -50.7 -51.9 36.9 -67.4 -152.3 47 48 A A H < S+ 0 0 26 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.884 114.0 46.8 -58.0 -41.4 39.7 -65.0 -151.3 48 49 A I H ><>S+ 0 0 0 -4,-2.9 5,-1.5 1,-0.2 3,-0.9 0.841 107.9 55.4 -72.4 -34.0 42.2 -67.8 -151.1 49 50 A R H ><5S+ 0 0 146 -4,-2.8 3,-3.0 -5,-0.3 -2,-0.2 0.962 100.4 59.0 -61.0 -53.1 41.2 -69.4 -154.5 50 51 A N T 3<5S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.600 100.3 58.7 -53.2 -14.4 41.7 -66.1 -156.4 51 52 A L T < 5S- 0 0 73 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.600 118.7-110.1 -91.8 -13.4 45.4 -66.1 -155.2 52 53 A G T < 5S+ 0 0 53 -3,-3.0 2,-0.2 -4,-0.4 -3,-0.2 0.655 76.2 125.0 93.7 18.5 46.0 -69.5 -156.8 53 54 A R < - 0 0 59 -5,-1.5 -1,-0.3 -4,-0.2 2,-0.2 -0.720 62.8-107.0-110.1 159.9 46.3 -71.5 -153.6 54 55 A R - 0 0 131 -2,-0.2 -21,-2.6 -27,-0.0 2,-0.3 -0.563 36.8-169.9 -82.7 147.7 44.6 -74.6 -152.3 55 56 A V E -c 33 0A 31 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.992 14.7-172.5-146.0 135.5 42.1 -74.2 -149.5 56 57 A L E -c 34 0A 27 -23,-2.1 -21,-4.2 -2,-0.3 2,-0.4 -0.993 7.3-172.4-127.1 129.9 40.2 -76.6 -147.2 57 58 A T E -c 35 0A 28 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.977 4.7-177.8-123.8 135.8 37.4 -75.4 -144.8 58 59 A V E -c 36 0A 24 -23,-1.9 -21,-2.3 -2,-0.4 2,-0.8 -0.990 31.2-126.8-139.4 129.9 35.8 -77.6 -142.2 59 60 A K E +c 37 0A 169 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.3 -0.631 53.9 153.7 -71.6 111.0 33.0 -76.9 -139.7 60 61 A C - 0 0 4 -23,-1.9 2,-1.1 -2,-0.8 -21,-0.1 -0.996 49.0-137.5-147.7 136.0 34.8 -78.0 -136.5 61 62 A D > - 0 0 52 -2,-0.3 3,-2.5 1,-0.1 7,-0.3 -0.817 19.7-158.6 -92.6 98.3 34.5 -77.2 -132.8 62 63 A V T 3 S+ 0 0 9 -2,-1.1 57,-0.2 1,-0.3 56,-0.2 0.442 85.3 66.9 -59.5 1.0 38.2 -76.9 -131.9 63 64 A S T 3 S+ 0 0 7 51,-0.1 -1,-0.3 55,-0.1 3,-0.1 0.507 85.2 83.2 -98.4 -6.6 37.4 -77.5 -128.3 64 65 A Q <> - 0 0 75 -3,-2.5 4,-2.4 1,-0.2 5,-0.3 -0.876 69.3-149.0-104.3 118.1 36.2 -81.1 -128.9 65 66 A P H > S+ 0 0 76 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.899 99.1 54.0 -47.0 -48.4 38.9 -83.8 -129.0 66 67 A G H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 109.7 46.0 -53.9 -50.5 36.8 -85.8 -131.5 67 68 A D H > S+ 0 0 65 -3,-0.2 4,-3.3 -6,-0.2 -1,-0.2 0.929 114.2 47.6 -59.3 -48.4 36.5 -82.9 -133.9 68 69 A V H X S+ 0 0 2 -4,-2.4 4,-3.0 -7,-0.3 -1,-0.2 0.904 111.1 50.4 -62.9 -41.9 40.1 -82.0 -133.8 69 70 A E H X S+ 0 0 123 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.919 114.2 45.4 -61.9 -42.6 41.3 -85.6 -134.3 70 71 A A H X S+ 0 0 54 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.944 113.3 49.2 -63.9 -49.4 39.0 -85.8 -137.3 71 72 A F H X S+ 0 0 3 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.901 108.3 55.5 -56.9 -41.8 40.1 -82.5 -138.6 72 73 A G H X S+ 0 0 6 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.4 42.5 -57.2 -48.5 43.7 -83.6 -138.2 73 74 A K H X S+ 0 0 134 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.960 111.5 53.1 -63.3 -53.1 43.2 -86.7 -140.3 74 75 A Q H X S+ 0 0 87 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.820 110.6 50.4 -53.9 -30.9 41.2 -84.9 -143.0 75 76 A V H X>S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.7 0.891 111.0 46.3 -75.0 -40.5 44.1 -82.4 -143.2 76 77 A I H X5S+ 0 0 71 -4,-1.9 4,-0.7 4,-0.2 -2,-0.2 0.851 114.2 48.0 -72.0 -32.6 46.8 -85.0 -143.6 77 78 A S H <5S+ 0 0 108 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.936 117.1 43.3 -70.3 -44.8 44.8 -87.0 -146.2 78 79 A T H <5S+ 0 0 48 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.915 138.8 6.5 -66.8 -49.0 44.1 -83.8 -148.1 79 80 A F H <5S- 0 0 32 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.553 87.8-131.5-112.6 -14.8 47.5 -82.1 -148.0 80 81 A G S <> - 0 0 77 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.267 29.6-116.9 -56.2 142.8 31.6 -59.6 -114.2 97 98 A F G >4 S+ 0 0 147 1,-0.3 3,-0.6 2,-0.2 51,-0.0 0.846 113.1 57.7 -53.2 -39.6 33.1 -62.0 -111.6 98 99 A D G 34 S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.756 112.3 42.8 -65.3 -20.8 29.9 -62.2 -109.5 99 100 A E G <4 S+ 0 0 125 -3,-1.6 2,-0.5 2,-0.1 -1,-0.2 0.593 87.1 109.7 -98.0 -13.1 28.1 -63.5 -112.6 100 101 A L << - 0 0 26 -4,-1.1 2,-0.2 -3,-0.6 -5,-0.0 -0.525 54.5-161.1 -69.8 114.5 30.9 -65.8 -113.8 101 102 A T > - 0 0 59 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.553 31.0-113.4 -93.4 160.9 29.8 -69.4 -113.4 102 103 A F H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 119.0 56.2 -61.7 -30.2 32.0 -72.5 -113.2 103 104 A E H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 108.6 44.2 -67.1 -45.5 30.4 -73.5 -116.5 104 105 A Q H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.905 114.4 51.0 -65.0 -41.7 31.3 -70.3 -118.3 105 106 A W H X S+ 0 0 81 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.927 113.4 43.6 -61.5 -47.8 34.8 -70.4 -116.8 106 107 A K H X S+ 0 0 104 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.883 112.0 55.0 -66.5 -37.7 35.3 -74.0 -117.9 107 108 A K H X S+ 0 0 98 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.890 104.3 53.2 -63.9 -39.1 33.8 -73.2 -121.3 108 109 A T H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.838 110.1 48.2 -66.2 -32.2 36.3 -70.4 -121.9 109 110 A F H X>S+ 0 0 48 -4,-1.3 5,-2.4 2,-0.2 4,-2.2 0.863 106.4 56.1 -74.5 -38.7 39.2 -72.7 -121.2 110 111 A E H <>S+ 0 0 44 -4,-2.0 5,-0.8 3,-0.2 -2,-0.2 0.883 118.1 33.6 -61.8 -39.1 38.0 -75.4 -123.5 111 112 A I H <5S+ 0 0 36 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.906 127.3 35.8 -83.6 -45.9 37.8 -73.1 -126.5 112 113 A N H <5S+ 0 0 6 -4,-2.2 4,-0.2 -5,-0.2 -3,-0.2 0.835 134.4 15.8 -79.5 -34.5 40.7 -70.7 -125.8 113 114 A V T X5S+ 0 0 29 -4,-2.2 4,-1.1 -5,-0.3 3,-0.3 0.845 119.5 53.3-108.2 -48.3 43.2 -73.1 -124.2 114 115 A D H > S+ 0 0 5 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.2 0.854 112.5 46.1 -58.0 -36.4 45.7 -75.2 -128.9 117 118 A F H X S+ 0 0 102 -4,-1.1 4,-2.7 -3,-0.5 5,-0.2 0.968 112.9 47.0 -70.1 -56.5 46.7 -78.4 -127.2 118 119 A L H X S+ 0 0 34 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.876 114.8 47.9 -53.6 -43.1 44.5 -80.8 -129.2 119 120 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 5,-0.2 0.894 110.6 51.3 -66.3 -40.9 45.7 -79.2 -132.4 120 121 A A H X S+ 0 0 5 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.922 107.9 52.3 -62.8 -43.2 49.3 -79.4 -131.4 121 122 A K H < S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.6 48.4 -61.6 -31.5 48.9 -83.1 -130.6 122 123 A A H < S+ 0 0 34 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.846 124.0 25.8 -79.6 -34.4 47.5 -83.6 -134.0 123 124 A F H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.1 -41,-0.2 0.670 100.6 76.3-108.3 -16.3 50.1 -81.8 -136.1 124 125 A V H X S+ 0 0 18 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.890 89.5 62.6 -62.3 -38.5 53.3 -81.8 -134.1 125 126 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.919 107.3 43.5 -52.8 -45.8 54.0 -85.4 -135.0 126 127 A G H > S+ 0 0 31 -4,-0.3 4,-2.1 -3,-0.2 6,-0.2 0.910 110.7 54.3 -66.6 -43.1 54.2 -84.5 -138.7 127 128 A M H X>S+ 0 0 2 -4,-1.8 5,-1.7 1,-0.2 4,-0.6 0.901 108.4 50.8 -57.8 -40.7 56.3 -81.4 -138.1 128 129 A K H <5S+ 0 0 106 -4,-2.7 3,-0.4 2,-0.2 -1,-0.2 0.874 107.0 52.5 -65.6 -39.1 58.8 -83.6 -136.2 129 130 A R H <5S+ 0 0 214 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.7 42.4 -62.6 -42.1 59.1 -86.1 -139.0 130 131 A N H <5S- 0 0 77 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.526 107.1-130.3 -81.4 -7.1 59.8 -83.3 -141.5 131 132 A G T <5S+ 0 0 40 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.703 76.8 89.0 65.7 19.4 62.1 -81.6 -139.0 132 133 A W < + 0 0 47 -5,-1.7 2,-0.3 -6,-0.2 44,-0.2 -0.982 44.7 144.2-151.4 137.0 60.4 -78.3 -139.5 133 134 A G E - e 0 176A 0 42,-1.7 44,-1.6 -2,-0.3 2,-0.3 -0.993 26.4-154.3-165.6 163.5 57.4 -76.5 -137.9 134 135 A R E -de 84 177A 3 -51,-1.4 -49,-2.9 -2,-0.3 2,-0.5 -0.936 10.0-175.7-147.7 118.8 55.9 -73.2 -136.8 135 136 A I E -de 85 178A 1 42,-2.9 44,-2.8 -2,-0.3 2,-0.5 -0.980 4.7-174.8-120.1 124.8 53.2 -72.8 -134.1 136 137 A I E -de 86 179A 2 -51,-2.7 -49,-2.8 -2,-0.5 2,-0.4 -0.981 5.7-162.7-121.6 124.2 51.8 -69.4 -133.5 137 138 A N E -de 87 180A 4 42,-2.7 44,-2.2 -2,-0.5 2,-0.5 -0.893 14.7-134.3-110.0 135.6 49.3 -68.8 -130.6 138 139 A L E + e 0 181A 10 -51,-2.4 44,-0.2 -2,-0.4 2,-0.1 -0.779 35.6 159.1 -90.3 125.1 47.1 -65.8 -130.3 139 140 A T - 0 0 4 42,-3.0 2,-0.3 -2,-0.5 19,-0.1 -0.281 31.5-108.1-120.4-150.9 47.0 -64.1 -126.9 140 141 A S > - 0 0 6 42,-0.2 3,-1.7 17,-0.2 4,-0.2 -0.995 9.7-133.7-154.0 143.8 46.0 -60.6 -125.8 141 142 A T G > S+ 0 0 2 42,-1.9 3,-2.2 -2,-0.3 4,-0.3 0.715 99.3 81.1 -66.3 -19.0 47.5 -57.3 -124.5 142 143 A T G > S+ 0 0 20 1,-0.3 3,-1.0 41,-0.3 -1,-0.3 0.713 73.8 78.2 -58.3 -19.8 44.8 -57.3 -121.8 143 144 A Y G < S+ 0 0 86 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.826 103.3 33.9 -57.6 -33.3 47.1 -59.7 -120.0 144 145 A W G < S+ 0 0 80 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.314 109.2 86.5-105.0 4.3 49.2 -56.7 -119.0 145 146 A L S < S- 0 0 64 -3,-1.0 2,-0.8 -4,-0.3 87,-0.0 -0.755 77.5-117.2-112.5 156.9 46.3 -54.2 -118.6 146 147 A K + 0 0 184 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.792 54.8 142.5 -89.9 109.5 43.9 -53.2 -115.9 147 148 A I - 0 0 78 -2,-0.8 3,-0.4 -5,-0.2 2,-0.0 -0.982 39.2-128.4-152.0 137.0 40.4 -54.1 -117.1 148 149 A E S S+ 0 0 151 -2,-0.3 -53,-0.1 1,-0.2 -2,-0.0 -0.243 78.4 29.6 -83.4 170.2 37.3 -55.5 -115.4 149 150 A A S S+ 0 0 25 -55,-0.1 -54,-2.8 1,-0.1 -1,-0.2 0.727 90.4 98.6 55.6 30.9 35.0 -58.4 -116.2 150 151 A Y > + 0 0 31 -3,-0.4 4,-3.1 -56,-0.2 5,-0.4 0.032 31.6 122.4-132.8 27.4 37.7 -60.6 -117.8 151 152 A T H > S+ 0 0 62 -56,-0.4 4,-1.3 1,-0.2 5,-0.1 0.914 84.7 41.4 -56.9 -44.7 38.8 -63.0 -115.1 152 153 A H H > S+ 0 0 0 -57,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.956 119.6 44.6 -66.8 -50.8 37.9 -66.0 -117.3 153 154 A Y H >> S+ 0 0 23 -60,-0.2 4,-2.2 1,-0.2 3,-0.6 0.961 113.3 46.5 -59.6 -59.3 39.3 -64.4 -120.5 154 155 A I H 3X S+ 0 0 36 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.846 108.3 58.5 -56.7 -33.8 42.6 -63.0 -119.2 155 156 A S H 3X S+ 0 0 43 -4,-1.3 4,-1.4 -5,-0.4 -1,-0.2 0.910 109.5 43.3 -63.8 -39.5 43.3 -66.3 -117.4 156 157 A T H <>S+ 0 0 14 -4,-1.8 3,-2.8 -3,-0.1 5,-1.1 0.466 83.9 104.4-110.0 -2.8 60.2 -78.8 -129.5 172 173 A G G ><5S+ 0 0 4 -4,-1.4 3,-0.8 1,-0.3 -1,-0.1 0.794 82.4 53.0 -48.7 -33.6 63.2 -76.5 -129.8 173 174 A K G 3 5S+ 0 0 141 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.383 99.4 63.8 -86.9 5.3 65.4 -79.4 -130.9 174 175 A D G < 5S- 0 0 49 -3,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.204 116.5-101.9-110.6 11.4 63.1 -80.6 -133.7 175 176 A G T < 5S+ 0 0 35 -3,-0.8 -42,-1.7 1,-0.3 2,-0.4 0.752 83.3 128.4 74.4 24.2 63.3 -77.4 -135.8 176 177 A I E < -e 133 0A 0 -5,-1.1 2,-0.4 -44,-0.2 -1,-0.3 -0.938 44.0-156.4-115.9 132.7 60.0 -76.2 -134.6 177 178 A T E -e 134 0A 4 -44,-1.6 -42,-2.9 -2,-0.4 2,-0.5 -0.855 0.9-160.9-108.8 146.2 59.4 -72.7 -133.2 178 179 A V E +e 135 0A 0 -2,-0.4 44,-3.5 -44,-0.2 45,-0.3 -0.970 24.9 155.4-127.0 113.4 56.5 -71.8 -130.9 179 180 A N E -e 136 0A 2 -44,-2.8 -42,-2.7 -2,-0.5 2,-0.3 -0.851 25.9-141.5-133.8 170.1 55.6 -68.1 -130.6 180 181 A A E -ef 137 224A 0 43,-2.3 45,-3.0 -2,-0.3 2,-0.4 -0.949 1.3-151.2-135.9 155.1 52.7 -65.9 -129.7 181 182 A I E -ef 138 225A 0 -44,-2.2 -42,-3.0 -2,-0.3 45,-0.2 -0.985 5.3-162.2-126.4 134.1 51.1 -62.6 -130.8 182 183 A A E - 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