==== 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 ISOMERASE 27-JAN-99 1B74 . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX PYROPHILUS; . AUTHOR K.Y.HWANG,C.S.CHO,S.S.KIM,Y.G.YU,Y.CHO . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 16.6 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 . 24 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 1 3 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 2 1 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 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 1 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 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 47 0, 0.0 26,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.6 35.9 51.8 40.4 2 2 A K E -a 27 0A 48 60,-0.2 62,-3.7 24,-0.2 63,-1.0 -0.937 360.0-157.1-119.4 127.6 36.0 49.5 37.4 3 3 A I E -ab 28 65A 0 24,-2.9 26,-2.2 -2,-0.5 2,-0.4 -0.839 4.6-156.3 -99.5 129.6 33.4 46.9 36.6 4 4 A G E -ab 29 66A 0 61,-2.8 63,-2.5 -2,-0.5 2,-0.4 -0.923 12.9-175.8-103.7 137.6 34.2 43.9 34.4 5 5 A I E -ab 30 67A 0 24,-2.6 26,-2.2 -2,-0.4 2,-0.3 -0.996 1.5-175.7-131.7 128.6 31.4 42.2 32.6 6 6 A F E +ab 31 68A 0 61,-2.4 63,-1.7 -2,-0.4 64,-0.5 -0.950 11.0 158.4-130.5 160.1 31.6 39.1 30.5 7 7 A D E -a 32 0A 4 24,-2.0 26,-2.5 -2,-0.3 27,-0.0 -0.962 48.4-113.1-160.4 161.6 29.3 36.9 28.3 8 8 A S S S- 0 0 18 -2,-0.3 28,-0.2 24,-0.3 29,-0.2 0.712 99.2 -2.7 -77.0 -12.2 29.7 34.4 25.5 9 9 A G S S- 0 0 14 22,-0.1 -2,-0.2 23,-0.1 25,-0.1 -0.171 99.3 -61.6-142.1-136.6 28.1 36.9 23.2 10 10 A V S > S+ 0 0 34 1,-0.1 3,-1.1 2,-0.1 4,-0.2 0.239 100.8 92.8-111.1 0.7 26.4 40.3 22.9 11 11 A G T >> S+ 0 0 29 1,-0.2 3,-1.8 2,-0.1 4,-0.5 0.875 76.6 63.9 -63.5 -35.5 23.6 39.5 25.2 12 12 A G H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.628 82.0 79.5 -63.5 -15.4 25.6 41.0 28.1 13 13 A L H <> S+ 0 0 0 -3,-1.1 4,-0.7 2,-0.2 -1,-0.3 0.635 87.6 58.9 -65.5 -17.6 25.5 44.4 26.4 14 14 A T H X> S+ 0 0 66 -3,-1.8 4,-1.6 2,-0.2 3,-0.9 0.952 109.2 40.3 -73.5 -58.7 21.9 44.7 27.8 15 15 A V H >X S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.3 3,-0.7 0.943 112.6 58.2 -51.6 -49.6 23.0 44.3 31.5 16 16 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.3 -1,-0.3 0.760 105.9 49.4 -50.0 -37.7 26.0 46.6 30.6 17 17 A K H X S+ 0 0 0 -4,-2.4 4,-4.2 1,-0.2 3,-0.5 0.971 111.7 51.3 -61.8 -65.7 24.7 49.4 34.8 20 20 A R H 3< S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 115.2 45.2 -44.2 -38.4 26.2 52.3 32.7 21 21 A N H 3< S+ 0 0 141 -4,-1.4 3,-0.4 -5,-0.1 -1,-0.3 0.867 119.8 38.2 -76.2 -41.5 22.9 54.1 33.1 22 22 A R H << S+ 0 0 101 -4,-2.5 2,-1.0 -3,-0.5 -2,-0.2 0.894 120.7 46.3 -76.2 -43.6 22.5 53.5 36.8 23 23 A Y S < S- 0 0 5 -4,-4.2 3,-0.4 -5,-0.2 -1,-0.2 -0.624 74.3-178.9-103.6 82.0 26.1 53.9 37.7 24 24 A R S S+ 0 0 177 -2,-1.0 -1,-0.2 -3,-0.4 -4,-0.1 0.651 75.9 31.4 -46.4 -36.8 27.0 57.1 35.8 25 25 A K S S+ 0 0 77 192,-0.1 193,-3.2 193,-0.1 194,-0.4 0.713 86.6 117.1-103.1 -22.7 30.7 57.3 36.6 26 26 A V - 0 0 0 -3,-0.4 2,-0.2 191,-0.2 190,-0.2 -0.071 62.7-126.6 -48.6 138.3 31.7 53.7 36.9 27 27 A D E -a 2 0A 25 -26,-2.3 -24,-2.9 188,-0.5 2,-0.4 -0.630 27.2-155.2 -86.6 150.7 34.4 52.5 34.4 28 28 A I E -ac 3 220A 1 191,-2.5 193,-1.5 -2,-0.2 2,-0.4 -0.993 19.2-173.6-140.3 133.5 33.5 49.3 32.3 29 29 A V E -ac 4 221A 1 -26,-2.2 -24,-2.6 -2,-0.4 2,-0.4 -0.996 15.8-163.3-120.1 129.0 35.4 46.6 30.6 30 30 A Y E -ac 5 222A 0 191,-2.9 193,-1.4 -2,-0.4 2,-0.4 -0.921 8.9-172.9-116.5 136.8 33.4 44.1 28.5 31 31 A L E -ac 6 223A 2 -26,-2.2 -24,-2.0 -2,-0.4 2,-0.6 -0.988 0.3-175.1-127.8 115.4 34.6 40.7 27.2 32 32 A G E -ac 7 224A 0 191,-2.4 2,-1.7 -2,-0.4 193,-1.6 -0.978 19.4-146.9-108.8 120.6 32.3 38.7 24.9 33 33 A D > + 0 0 3 -26,-2.5 3,-1.0 -2,-0.6 191,-0.1 -0.552 37.8 155.2 -86.4 70.3 33.8 35.3 24.2 34 34 A T G > + 0 0 10 -2,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.771 60.0 72.4 -66.6 -26.3 32.5 35.2 20.6 35 35 A A G 3 S+ 0 0 52 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.713 111.0 29.2 -61.1 -26.8 35.2 32.7 19.5 36 36 A R G < S+ 0 0 61 -3,-1.0 -1,-0.3 -28,-0.2 -2,-0.2 0.198 85.7 160.8-122.8 21.7 33.5 29.9 21.5 37 37 A V < + 0 0 82 -3,-1.2 2,-1.1 -29,-0.2 3,-0.2 0.296 54.0 67.1 -17.8 -40.5 30.0 31.4 21.1 38 38 A P >> + 0 0 73 0, 0.0 4,-0.6 0, 0.0 3,-0.6 -0.651 55.8 150.7 -97.6 83.4 27.8 28.4 21.8 39 39 A Y G >4 + 0 0 3 -2,-1.1 3,-1.7 1,-0.2 2,-1.3 0.991 57.6 72.9 -64.1 -62.0 28.6 27.9 25.6 40 40 A G G 34 S+ 0 0 17 1,-0.3 76,-0.7 -3,-0.2 -1,-0.2 0.304 96.3 50.8 -38.3 -1.6 25.3 26.4 26.6 41 41 A I G <4 S+ 0 0 119 -2,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.769 90.6 91.0-104.9 -43.5 26.0 23.1 24.9 42 42 A R S << S- 0 0 102 -3,-1.7 5,-0.0 -4,-0.6 -3,-0.0 0.034 85.2 -88.2 -55.0 157.0 29.5 22.3 26.3 43 43 A S >> - 0 0 72 1,-0.1 4,-1.9 3,-0.0 3,-0.9 -0.175 40.3-101.8 -67.1 157.2 30.1 20.3 29.5 44 44 A K H 3> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.901 119.5 48.8 -43.9 -55.0 30.2 21.8 33.0 45 45 A D H 3> S+ 0 0 109 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.741 108.9 51.7 -64.0 -26.2 34.0 21.8 33.2 46 46 A T H <> S+ 0 0 21 -3,-0.9 4,-2.2 2,-0.2 -1,-0.3 0.857 108.6 52.5 -76.8 -32.6 34.5 23.4 29.9 47 47 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 -3,-0.3 -2,-0.2 0.899 111.0 48.4 -65.4 -39.6 32.1 26.1 30.9 48 48 A I H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 110.9 47.6 -67.8 -43.9 34.3 26.5 34.1 49 49 A R H X S+ 0 0 112 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.931 112.7 49.9 -65.9 -43.9 37.7 26.7 32.2 50 50 A Y H X S+ 0 0 18 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.784 113.0 47.0 -56.7 -44.4 36.3 29.2 29.7 51 51 A S H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.851 107.7 54.6 -65.8 -47.5 34.9 31.4 32.5 52 52 A L H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 110.7 48.2 -56.1 -41.6 38.1 31.3 34.5 53 53 A E H X S+ 0 0 85 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.844 113.6 44.3 -68.7 -42.5 40.0 32.6 31.4 54 54 A C H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.851 116.6 46.7 -71.6 -37.8 37.6 35.4 30.6 55 55 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.895 111.0 53.1 -70.8 -36.7 37.4 36.4 34.3 56 56 A G H X S+ 0 0 18 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.906 109.3 49.2 -62.1 -42.9 41.2 36.2 34.5 57 57 A F H < S+ 0 0 17 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.800 112.3 47.1 -63.3 -41.5 41.4 38.5 31.4 58 58 A L H ><>S+ 0 0 0 -4,-1.6 3,-1.8 2,-0.2 5,-1.3 0.933 112.2 51.1 -67.6 -43.7 39.0 41.0 33.0 59 59 A K H ><5S+ 0 0 73 -4,-3.1 3,-2.5 1,-0.3 4,-0.2 0.963 107.2 52.0 -58.7 -49.4 41.0 40.8 36.3 60 60 A D T 3<5S+ 0 0 126 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.514 99.6 66.1 -64.1 -3.1 44.3 41.5 34.5 61 61 A K T < 5S- 0 0 29 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.275 122.5-107.7 -98.2 10.2 42.6 44.5 33.0 62 62 A G T < 5 + 0 0 50 -3,-2.5 -60,-0.2 1,-0.2 -3,-0.2 0.687 60.9 162.9 73.7 28.7 42.4 45.9 36.5 63 63 A V < - 0 0 7 -5,-1.3 -60,-0.2 -4,-0.2 -1,-0.2 -0.393 34.1-149.0 -80.2 156.5 38.7 45.5 37.2 64 64 A D S S+ 0 0 73 -62,-3.7 2,-0.3 1,-0.2 -61,-0.2 0.711 77.9 11.3 -95.1 -26.6 37.2 45.6 40.8 65 65 A I E -b 3 0A 3 -63,-1.0 -61,-2.8 22,-0.2 2,-0.4 -0.958 68.3-137.0-147.0 162.2 34.2 43.3 40.4 66 66 A I E -bd 4 89A 0 22,-2.0 24,-3.4 -2,-0.3 2,-0.6 -0.979 7.8-163.3-132.3 126.1 33.1 40.8 37.8 67 67 A V E -bd 5 90A 0 -63,-2.5 -61,-2.4 -2,-0.4 2,-1.0 -0.976 6.0-159.4-107.8 114.0 29.6 40.4 36.5 68 68 A V E -bd 6 91A 0 22,-2.2 24,-0.9 -2,-0.6 -61,-0.2 -0.827 10.0-177.0 -94.1 100.9 29.0 37.2 34.6 69 69 A A + 0 0 0 -63,-1.7 2,-0.4 -2,-1.0 -62,-0.2 0.531 51.4 100.7 -78.2 1.6 25.8 38.0 32.6 70 70 A C > - 0 0 2 -64,-0.5 4,-2.0 1,-0.1 22,-0.3 -0.718 64.4-149.7 -92.2 127.4 25.6 34.5 31.1 71 71 A N H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.949 96.6 48.8 -59.5 -53.7 23.1 32.1 32.7 72 72 A T H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.844 113.7 45.3 -56.1 -41.6 25.2 29.0 31.9 73 73 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.852 113.2 50.9 -69.8 -41.0 28.4 30.4 33.3 74 74 A S H X S+ 0 0 9 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.882 107.5 55.4 -61.5 -40.1 26.6 31.7 36.4 75 75 A A H < S+ 0 0 17 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.838 127.3 12.7 -65.0 -34.1 25.1 28.3 36.9 76 76 A Y H < S+ 0 0 39 -4,-1.3 4,-0.3 -5,-0.1 -2,-0.2 0.631 125.6 47.6-118.9 -24.7 28.4 26.4 37.0 77 77 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -3,-0.2 0.547 77.9 92.0-102.2 -10.9 31.3 28.8 37.3 78 78 A L H X S+ 0 0 29 -4,-0.7 4,-2.5 -5,-0.4 5,-0.2 0.912 89.4 46.3 -52.4 -49.4 30.5 31.2 40.1 79 79 A E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.959 115.7 45.3 -57.3 -58.6 32.1 29.3 43.0 80 80 A R H > S+ 0 0 84 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.827 112.5 52.9 -54.6 -39.4 35.3 28.6 41.1 81 81 A L H >X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 3,-0.6 0.949 110.0 46.1 -64.4 -49.9 35.5 32.1 39.9 82 82 A K H 3< S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 112.3 52.4 -58.0 -41.2 35.2 33.6 43.4 83 83 A K H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.721 120.1 32.0 -71.3 -22.3 37.8 31.2 44.7 84 84 A E H << S+ 0 0 88 -4,-1.1 2,-0.5 -3,-0.6 -2,-0.2 0.691 111.6 58.0-111.2 -21.7 40.3 32.0 42.0 85 85 A I S < S- 0 0 11 -4,-2.6 2,-1.4 2,-0.2 -1,-0.1 -0.939 81.0-136.4-106.4 129.3 39.8 35.8 41.1 86 86 A N S S+ 0 0 153 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.077 70.9 88.2 -87.1 45.5 40.3 37.7 44.2 87 87 A V S S- 0 0 30 -2,-1.4 2,-0.2 -6,-0.2 -2,-0.2 -0.899 89.4 -82.3-135.0 164.5 37.3 40.0 43.6 88 88 A P - 0 0 59 0, 0.0 -22,-2.0 0, 0.0 2,-0.4 -0.509 48.6-159.6 -62.3 126.5 33.5 40.1 44.3 89 89 A V E -d 66 0A 9 -2,-0.2 2,-0.5 -24,-0.2 -22,-0.2 -0.939 5.7-164.6-115.3 128.9 31.8 38.0 41.4 90 90 A F E -d 67 0A 30 -24,-3.4 -22,-2.2 -2,-0.4 2,-0.2 -0.941 1.4-163.8-122.8 134.3 28.1 38.5 40.5 91 91 A G E -d 68 0A 8 -2,-0.5 -22,-0.2 -24,-0.2 -20,-0.1 -0.490 27.4-124.3-108.1 169.1 25.9 36.2 38.4 92 92 A V S > S+ 0 0 0 -24,-0.9 4,-0.6 -22,-0.3 -21,-0.1 0.629 97.2 68.8 -89.8 -9.4 22.5 36.7 36.7 93 93 A I H >> S+ 0 0 6 -23,-0.2 4,-2.3 2,-0.1 3,-0.7 0.968 94.2 48.6 -74.8 -55.8 20.7 33.8 38.5 94 94 A E H 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 109.1 51.1 -59.5 -36.6 20.4 35.0 42.1 95 95 A P H 3> S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.845 114.0 47.8 -71.4 -19.9 19.0 38.5 41.4 96 96 A G H - 0 0 14 -2,-0.3 4,-3.8 24,-0.3 5,-0.5 -0.377 49.9-110.1 -66.8 145.2 19.3 26.9 28.1 115 115 A P H > S+ 0 0 43 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.847 121.7 45.8 -48.5 -31.8 19.5 23.1 28.2 116 116 A A H > S+ 0 0 10 -76,-0.7 4,-1.2 2,-0.2 -75,-0.1 0.863 115.9 43.3 -80.0 -37.4 22.8 23.5 30.1 117 117 A T H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 5,-0.4 0.901 115.1 49.6 -74.0 -39.5 21.5 26.1 32.6 118 118 A V H < S+ 0 0 28 -4,-3.8 3,-0.4 1,-0.2 -1,-0.2 0.850 109.5 55.4 -63.8 -32.6 18.2 24.3 33.0 119 119 A K H < S+ 0 0 169 -4,-1.0 -1,-0.2 -5,-0.5 -2,-0.2 0.798 93.9 66.1 -72.2 -30.2 20.4 21.1 33.6 120 120 A S H < S- 0 0 16 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.831 92.6-139.8 -61.4 -32.9 22.5 22.6 36.5 121 121 A G X + 0 0 15 -4,-0.8 4,-3.2 -3,-0.4 5,-0.3 0.464 62.1 129.0 84.0 4.8 19.5 22.9 38.8 122 122 A A H > S+ 0 0 0 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.908 75.1 39.2 -59.1 -48.1 20.6 26.2 40.0 123 123 A Y H > S+ 0 0 3 -6,-0.4 4,-1.9 2,-0.2 5,-0.3 0.916 116.8 52.1 -67.2 -46.4 17.3 28.1 39.5 124 124 A Q H >> S+ 0 0 37 2,-0.2 4,-3.1 1,-0.2 3,-0.5 0.971 113.1 42.8 -51.9 -59.5 15.3 25.1 40.6 125 125 A R H 3X S+ 0 0 122 -4,-3.2 4,-3.4 1,-0.2 -2,-0.2 0.928 116.8 47.5 -54.2 -51.3 17.3 24.7 43.9 126 126 A K H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.713 115.0 45.6 -64.9 -26.6 17.3 28.5 44.6 127 127 A L H X< S+ 0 0 0 -4,-1.9 3,-1.3 -3,-0.5 5,-0.3 0.857 113.7 48.5 -84.5 -40.1 13.6 28.8 43.8 128 128 A E H >< S+ 0 0 113 -4,-3.1 3,-3.2 -5,-0.3 4,-0.4 0.959 106.3 56.5 -65.8 -39.6 12.7 25.8 45.9 129 129 A E T 3< S+ 0 0 167 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.1 0.405 105.2 55.0 -71.7 5.8 14.8 27.0 48.8 130 130 A G T < S- 0 0 37 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.247 130.1 -97.9-116.1 4.8 12.7 30.1 48.6 131 131 A G S < S+ 0 0 50 -3,-3.2 2,-0.4 1,-0.2 -3,-0.2 0.978 75.0 143.9 75.1 60.4 9.5 28.0 48.9 132 132 A A - 0 0 7 -4,-0.4 2,-0.9 -5,-0.3 -1,-0.2 -0.988 54.0-136.5-135.0 141.9 8.5 27.7 45.2 133 133 A D E -f 108 0B 101 -26,-3.0 -24,-2.2 -2,-0.4 2,-0.3 -0.892 38.4-152.2 -94.1 107.2 7.0 25.1 43.0 134 134 A V E -f 109 0B 27 -2,-0.9 2,-0.5 -26,-0.2 -24,-0.2 -0.703 18.5-168.5 -87.0 137.1 9.3 25.5 40.0 135 135 A F E +f 110 0B 29 -26,-2.3 -24,-3.0 -2,-0.3 2,-0.4 -0.980 21.4 175.2-122.7 106.3 8.2 24.8 36.4 136 136 A A E +f 111 0B 20 -2,-0.5 2,-0.3 -26,-0.3 -24,-0.2 -0.973 11.9 174.8-125.1 140.5 11.3 24.7 34.2 137 137 A K E -f 112 0B 84 -26,-2.2 -24,-2.5 -2,-0.4 2,-0.1 -0.975 30.3-110.9-135.7 148.6 11.9 23.9 30.6 138 138 A A E -f 113 0B 31 -2,-0.3 -24,-0.3 -26,-0.2 -26,-0.0 -0.398 38.8 -94.1 -82.3 154.9 14.9 24.1 28.3 139 139 A C - 0 0 5 -26,-2.7 2,-0.4 -2,-0.1 -1,-0.1 -0.473 44.9-115.7 -62.2 133.5 15.4 26.6 25.4 140 140 A P - 0 0 4 0, 0.0 2,-1.1 0, 0.0 43,-0.1 -0.637 22.3-146.8 -78.0 124.4 14.2 24.9 22.1 141 141 A L + 0 0 92 -2,-0.4 4,-0.3 1,-0.2 40,-0.0 -0.624 45.9 136.0 -94.7 79.9 17.3 24.5 19.9 142 142 A F >> + 0 0 52 -2,-1.1 3,-0.7 39,-0.4 4,-0.5 0.882 44.8 74.7 -94.1 -42.9 15.8 24.9 16.3 143 143 A A T 34 S+ 0 0 67 38,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.691 83.8 69.4 -47.4 -32.9 17.9 27.2 14.1 144 144 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.983 121.6 12.0 -53.2 -57.3 20.8 24.7 13.5 145 145 A L T <4 S+ 0 0 150 -3,-0.7 -2,-0.1 -4,-0.3 -3,-0.1 0.923 128.0 40.0 -77.2 -87.8 18.5 22.5 11.4 146 146 A A < - 0 0 28 -4,-0.5 2,-0.2 1,-0.1 -1,-0.0 -0.113 69.0-138.1 -66.4 157.2 15.3 24.4 10.6 147 147 A E >> - 0 0 145 -3,-0.0 4,-1.1 1,-0.0 3,-0.7 -0.622 37.2 -95.5-109.2 168.8 14.7 28.0 9.6 148 148 A E T 34 S+ 0 0 82 1,-0.2 8,-0.1 -2,-0.2 -2,-0.0 0.108 111.2 82.9 -72.9 23.1 12.0 30.4 10.8 149 149 A G T 34 S+ 0 0 51 -2,-0.1 3,-0.4 3,-0.0 -1,-0.2 0.893 98.4 29.2 -91.1 -57.6 10.3 29.4 7.6 150 150 A L T <4 S+ 0 0 110 -3,-0.7 2,-3.9 1,-0.3 5,-0.3 0.997 118.1 64.4 -61.6 -61.0 8.6 26.2 8.6 151 151 A L S < S+ 0 0 8 -4,-1.1 2,-0.4 4,-0.1 -1,-0.3 -0.129 82.5 103.0 -59.9 53.6 8.5 27.7 12.1 152 152 A E S S- 0 0 134 -2,-3.9 2,-0.5 -3,-0.4 3,-0.3 -0.932 84.8 -18.5-145.2 119.3 6.2 30.5 11.1 153 153 A G S >> S+ 0 0 48 -2,-0.4 4,-1.8 1,-0.2 3,-0.9 -0.822 131.1 24.4 94.1-125.0 2.5 30.7 11.9 154 154 A E T 34 S+ 0 0 146 -2,-0.5 -1,-0.2 1,-0.3 3,-0.2 0.860 129.5 42.4 -37.0 -61.7 0.8 27.4 12.8 155 155 A I T >> S+ 0 0 70 -5,-0.3 4,-1.4 -3,-0.3 3,-1.0 0.749 107.8 60.0 -65.2 -28.3 4.0 25.7 14.0 156 156 A T H <> S+ 0 0 3 -3,-0.9 4,-1.3 1,-0.3 -1,-0.2 0.934 112.2 37.7 -68.2 -45.9 5.4 28.7 15.9 157 157 A R H 3< S+ 0 0 116 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 -0.099 116.2 54.7 -98.2 34.1 2.4 28.9 18.3 158 158 A K H <> S+ 0 0 123 -3,-1.0 4,-1.5 -5,-0.1 -1,-0.2 0.356 106.8 48.8-129.6 -28.1 2.2 25.1 18.4 159 159 A V H X S+ 0 0 14 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.835 112.4 51.2 -80.0 -36.9 5.8 24.7 19.5 160 160 A V H >X S+ 0 0 1 -4,-1.3 4,-3.3 2,-0.2 3,-0.8 0.998 111.1 46.6 -57.4 -68.0 5.1 27.3 22.1 161 161 A E H 34 S+ 0 0 102 1,-0.3 7,-0.2 2,-0.2 -2,-0.2 0.804 114.6 46.0 -37.8 -57.6 2.0 25.6 23.4 162 162 A H H >< S+ 0 0 120 -4,-1.5 3,-0.7 1,-0.2 -1,-0.3 0.858 117.6 45.1 -61.1 -37.7 3.6 22.1 23.6 163 163 A Y H << S+ 0 0 60 -4,-1.9 3,-0.3 -3,-0.8 -2,-0.2 0.899 115.9 42.7 -76.1 -43.1 6.7 23.6 25.3 164 164 A L T 3X S+ 0 0 2 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 -0.025 83.9 119.9 -97.7 35.8 4.9 25.8 27.8 165 165 A K T X4 S+ 0 0 142 -3,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.968 72.2 43.4 -60.6 -66.5 2.5 22.9 28.5 166 166 A E T 34 S+ 0 0 81 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.723 111.4 57.8 -57.5 -22.6 3.1 22.4 32.2 167 167 A F T >> S+ 0 0 1 1,-0.2 3,-1.4 -4,-0.1 4,-1.2 0.770 73.4 115.6 -78.5 -30.9 3.1 26.1 32.7 168 168 A K T << S- 0 0 136 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.1 0.525 97.8 -14.8 -0.9 -72.6 -0.5 26.6 31.3 169 169 A G T 34 S+ 0 0 65 -3,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.159 121.4 76.3-137.7 24.3 -2.3 27.8 34.4 170 170 A K T <4 S+ 0 0 74 -3,-1.4 2,-0.3 -4,-0.2 -2,-0.1 0.685 82.3 65.7-106.6 -26.5 -0.1 27.1 37.4 171 171 A I < + 0 0 22 -4,-1.2 -62,-0.2 1,-0.1 3,-0.1 -0.702 42.2 177.4-100.1 156.3 2.6 29.8 37.2 172 172 A D S S+ 0 0 39 -64,-1.7 24,-2.4 1,-0.3 2,-0.3 0.423 73.1 44.3-130.8 -7.1 2.2 33.6 37.6 173 173 A T E -gh 109 196B 0 -65,-0.7 -63,-2.0 22,-0.2 2,-0.4 -0.981 66.5-163.5-140.3 145.1 5.9 34.7 37.3 174 174 A L E -gh 110 197B 1 22,-2.2 24,-3.4 -2,-0.3 2,-0.6 -0.992 16.0-147.3-136.1 137.8 8.5 33.6 34.8 175 175 A I E -gh 111 198B 0 -65,-2.9 -63,-2.0 -2,-0.4 2,-1.9 -0.934 17.7-148.2-102.2 116.7 12.3 33.8 34.7 176 176 A L E +g 112 0B 21 -2,-0.6 3,-0.2 22,-0.5 24,-0.1 -0.569 22.0 176.1 -87.3 77.5 13.2 34.2 31.0 177 177 A G - 0 0 0 -2,-1.9 2,-0.3 -65,-1.1 -64,-0.3 0.927 69.9 -23.2 -47.6 -48.1 16.5 32.4 31.3 178 178 A C - 0 0 7 -66,-1.3 2,-0.5 -3,-0.2 -1,-0.2 -0.939 59.4-143.8-168.5 139.6 16.8 32.8 27.6 179 179 A T + 0 0 65 -2,-0.3 2,-0.4 -3,-0.2 5,-0.1 -0.937 20.7 167.3-114.7 129.1 14.6 33.3 24.6 180 180 A H > - 0 0 119 -2,-0.5 3,-1.5 3,-0.4 -2,-0.1 -0.994 47.0 -50.9-138.8 130.9 15.2 31.7 21.1 181 181 A Y T 3 S+ 0 0 60 -2,-0.4 -39,-0.4 1,-0.3 -38,-0.2 0.067 119.8 18.5 -37.9 140.7 12.7 31.7 18.3 182 182 A P T 3 S+ 0 0 0 0, 0.0 2,-2.2 0, 0.0 -1,-0.3 -0.957 118.5 66.1 -87.1 1.6 9.8 30.8 18.2 183 183 A L S < S+ 0 0 4 -3,-1.5 -3,-0.4 -43,-0.1 -2,-0.1 -0.358 74.7 153.8 -81.5 55.3 9.6 31.1 22.0 184 184 A L > - 0 0 63 -2,-2.2 4,-1.1 -5,-0.1 5,-0.1 -0.154 58.0-103.1 -71.4 177.8 10.1 34.8 21.7 185 185 A K H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.945 119.1 47.3 -74.6 -48.4 8.8 37.0 24.5 186 186 A K H > S+ 0 0 102 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.853 113.5 51.3 -62.6 -31.1 5.6 38.3 22.8 187 187 A E H 4 S+ 0 0 39 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.810 112.5 44.3 -74.2 -36.3 4.8 34.8 21.7 188 188 A I H X S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.3 3,-0.4 0.802 109.5 52.4 -78.9 -34.8 5.1 33.3 25.2 189 189 A K H X S+ 0 0 43 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.818 107.7 56.0 -70.4 -28.2 3.3 36.0 27.2 190 190 A K H < S+ 0 0 110 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.654 113.0 39.3 -76.0 -21.8 0.4 35.5 24.7 191 191 A F H 4 S+ 0 0 64 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.1 0.860 120.9 41.6 -89.4 -53.1 0.2 31.8 25.4 192 192 A L H < S- 0 0 25 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.683 112.7-129.6 -65.3 -15.7 0.8 32.0 29.2 193 193 A G < - 0 0 32 -4,-0.9 2,-0.4 -5,-0.2 -2,-0.2 -0.173 59.3 -26.9 81.3 171.2 -1.5 35.0 29.2 194 194 A D S S+ 0 0 139 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.1 -0.415 80.5 161.9 -61.7 115.3 -0.2 38.0 30.9 195 195 A A - 0 0 12 -2,-0.4 2,-0.8 -21,-0.0 -22,-0.2 -0.864 48.1 -96.7-127.9 158.7 2.3 36.8 33.6 196 196 A E E -h 173 0B 102 -24,-2.4 -22,-2.2 -2,-0.3 2,-0.5 -0.739 40.8-159.6 -86.6 110.6 5.0 38.8 35.4 197 197 A V E -h 174 0B 39 -2,-0.8 -22,-0.2 -24,-0.2 2,-0.1 -0.827 17.9-120.4 -91.8 125.4 8.2 38.1 33.5 198 198 A V E -h 175 0B 11 -24,-3.4 2,-0.9 -2,-0.5 -22,-0.5 -0.392 9.7-143.9 -66.7 137.3 11.4 38.8 35.4 199 199 A D > - 0 0 104 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.881 19.9-177.5-102.7 90.0 13.8 41.3 34.0 200 200 A S H > S+ 0 0 10 -2,-0.9 4,-1.6 1,-0.2 -1,-0.1 0.690 77.1 57.1 -58.7 -25.9 17.1 39.6 35.0 201 201 A S H > S+ 0 0 11 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.896 109.8 40.1 -77.7 -45.8 19.1 42.4 33.6 202 202 A E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.858 115.6 54.2 -71.8 -32.7 17.6 45.2 35.7 203 203 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 112.2 43.7 -66.6 -42.9 17.6 42.9 38.7 204 204 A L H X S+ 0 0 0 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.973 115.0 47.1 -66.0 -57.8 21.3 42.2 38.2 205 205 A S H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.850 115.4 46.4 -49.4 -44.8 22.3 45.8 37.6 206 206 A L H >< S+ 0 0 72 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.934 103.9 64.7 -65.9 -40.4 20.2 47.0 40.6 207 207 A S H 3< S+ 0 0 49 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.539 90.8 63.4 -57.8 -20.9 21.7 44.2 42.7 208 208 A L T XX S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.7 3,-0.6 0.248 70.7 108.4 -89.7 11.2 25.2 45.6 42.6 209 209 A H T <4 S+ 0 0 109 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.929 76.5 46.6 -58.4 -43.9 24.2 48.8 44.4 210 210 A N T 34 S+ 0 0 145 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.753 115.6 45.7 -72.2 -19.1 25.9 48.0 47.7 211 211 A F T <4 S+ 0 0 110 -3,-0.6 2,-0.4 -4,-0.1 -1,-0.2 0.786 94.5 88.4 -93.2 -27.7 29.2 46.9 46.0 212 212 A I < - 0 0 18 -4,-2.0 2,-0.8 2,-0.0 -209,-0.0 -0.568 58.6-159.4 -80.1 121.3 29.6 49.7 43.6 213 213 A K - 0 0 138 -2,-0.4 2,-2.6 2,-0.1 -3,-0.1 -0.917 28.6-133.6 -91.5 111.1 31.3 52.9 44.6 214 214 A D + 0 0 75 -2,-0.8 2,-0.3 -5,-0.1 -190,-0.1 -0.439 64.2 114.3 -71.9 75.8 29.8 55.1 41.9 215 215 A D + 0 0 87 -2,-2.6 -188,-0.5 -190,-0.1 2,-0.3 -0.965 30.8 75.9-141.3 157.1 33.1 56.7 40.9 216 216 A G S S- 0 0 24 -2,-0.3 -190,-0.2 -190,-0.2 -214,-0.1 -0.894 81.2 -63.7 140.2-167.4 35.3 56.8 37.8 217 217 A S - 0 0 86 -2,-0.3 -191,-0.2 -216,-0.1 -1,-0.1 0.214 60.6-114.6-105.7 15.3 35.7 58.3 34.3 218 218 A S + 0 0 42 -193,-3.2 2,-0.2 1,-0.2 -191,-0.2 0.894 58.4 166.8 53.6 38.9 32.6 56.7 32.6 219 219 A S - 0 0 44 -194,-0.4 -191,-2.5 2,-0.0 2,-0.4 -0.612 20.6-163.0 -88.7 147.1 35.0 54.8 30.3 220 220 A L E -c 28 0A 31 -2,-0.2 2,-0.4 -193,-0.2 -191,-0.2 -0.997 8.3-179.3-131.1 132.7 33.8 51.9 28.2 221 221 A E E -c 29 0A 69 -193,-1.5 -191,-2.9 -2,-0.4 2,-0.5 -0.976 9.9-159.0-137.1 123.4 35.9 49.2 26.5 222 222 A L E +ce 30 245A 1 22,-0.6 24,-1.9 -2,-0.4 2,-0.3 -0.871 14.1 174.2-106.3 131.7 34.6 46.5 24.4 223 223 A F E +ce 31 246A 6 -193,-1.4 -191,-2.4 -2,-0.5 2,-0.3 -0.990 4.9 179.6-136.4 142.2 36.6 43.3 23.7 224 224 A F E -ce 32 247A 0 22,-1.8 24,-3.1 -2,-0.3 -191,-0.2 -0.953 30.0-137.3-141.0 146.5 35.6 40.1 21.9 225 225 A T S S+ 0 0 37 -193,-1.6 2,-0.3 -2,-0.3 -192,-0.1 0.554 97.5 31.1 -85.6 -2.5 37.7 36.9 21.3 226 226 A D S S- 0 0 75 -194,-0.3 2,-2.3 2,-0.0 -1,-0.2 -0.923 75.9-137.2-151.6 123.6 36.4 36.7 17.7 227 227 A L - 0 0 66 -2,-0.3 5,-0.1 -3,-0.1 20,-0.1 -0.384 42.9-164.0 -83.2 62.7 35.5 39.7 15.5 228 228 A S - 0 0 24 -2,-2.3 4,-0.5 2,-0.1 3,-0.5 0.198 25.2 -88.0 -43.3 162.4 32.4 37.9 14.3 229 229 A P S S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.894 113.0 8.5 -37.5 -84.4 30.3 38.8 11.2 230 230 A N S >> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.1 3,-0.8 0.161 94.8 111.1 -97.9 20.8 27.6 41.3 12.1 231 231 A L H 3> S+ 0 0 4 -3,-0.5 4,-1.8 1,-0.3 3,-0.2 0.932 74.2 56.5 -58.4 -50.3 28.9 41.9 15.7 232 232 A Q H 3> S+ 0 0 91 -4,-0.5 4,-0.8 -3,-0.3 -1,-0.3 0.744 111.0 43.9 -53.3 -30.3 29.9 45.4 14.8 233 233 A F H <> S+ 0 0 114 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.791 106.9 59.5 -85.9 -32.6 26.3 46.2 13.7 234 234 A L H X S+ 0 0 69 -4,-1.9 4,-1.5 -3,-0.2 -2,-0.2 0.851 104.0 53.1 -62.1 -34.7 24.7 44.4 16.8 235 235 A I H X>S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.5 0.899 105.3 51.7 -67.8 -45.5 26.6 46.9 19.0 236 236 A K H X5S+ 0 0 73 -4,-0.8 4,-0.6 1,-0.2 -1,-0.2 0.824 113.9 46.6 -62.0 -32.1 25.3 50.0 17.2 237 237 A L H <5S+ 0 0 106 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.773 117.3 39.2 -84.2 -26.6 21.8 48.6 17.7 238 238 A I H <5S+ 0 0 36 -4,-1.5 -2,-0.2 3,-0.1 -3,-0.2 0.910 124.9 34.2 -89.2 -43.8 22.0 47.6 21.4 239 239 A L H <5S- 0 0 37 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.1 0.667 106.9-120.7 -83.0 -21.5 24.1 50.5 22.8 240 240 A G S < -e 224 0A 82 -2,-0.3 3,-1.4 -24,-0.2 2,-0.4 -0.773 45.5-104.9 -83.4 131.2 40.1 41.6 19.7 248 248 A A T 3 S+ 0 0 12 -24,-3.1 -1,-0.1 -2,-0.5 -25,-0.0 -0.494 110.7 22.9 -64.5 115.1 40.9 40.1 23.2 249 249 A E T 3 S+ 0 0 137 -2,-0.4 -1,-0.3 -192,-0.1 -24,-0.0 0.665 93.3 116.3 96.6 32.6 44.6 39.9 23.2 250 250 A G S < S- 0 0 46 -3,-1.4 -2,-0.1 2,-0.1 -4,-0.0 0.588 100.2 -20.9 -89.0-113.0 45.4 42.5 20.6 251 251 A V 0 0 151 1,-0.2 -3,-0.1 -4,-0.1 -5,-0.0 0.889 360.0 360.0 -63.3 -34.7 47.3 45.5 21.9 252 252 A F 0 0 133 -5,-0.3 -1,-0.2 -191,-0.0 -2,-0.1 -0.671 360.0 360.0 78.4 360.0 46.0 44.3 25.3 253 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 254 538 A X 0 0 73 0, 0.0 -184,-0.1 0, 0.0 -185,-0.0 0.000 360.0 360.0 360.0 360.0 22.3 33.6 28.5