==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-FEB-07 2JFW . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR T.LUNDQVIST . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.6 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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 2 0 1 1 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 4 2 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 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 0 224 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-113.5 16.5 39.7 -17.0 2 2 A I - 0 0 126 1,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.561 360.0-170.6 -72.9 106.9 20.3 39.8 -17.3 3 3 A R - 0 0 135 -2,-0.8 2,-0.3 225,-0.0 221,-0.0 -0.870 10.9-147.1-100.1 124.7 21.7 36.5 -16.0 4 4 A L - 0 0 102 -2,-0.5 2,-0.7 223,-0.1 225,-0.1 -0.692 5.1-139.8 -94.0 144.7 25.4 36.4 -15.6 5 5 A T - 0 0 90 -2,-0.3 2,-0.6 223,-0.1 225,-0.2 -0.921 23.8-179.3-101.5 116.5 27.5 33.3 -16.2 6 6 A D + 0 0 27 223,-2.8 65,-0.1 -2,-0.7 -2,-0.0 -0.929 13.2 179.7-121.8 106.4 30.2 33.1 -13.5 7 7 A N + 0 0 90 -2,-0.6 230,-0.2 223,-0.1 27,-0.1 0.372 42.1 122.8 -88.0 7.0 32.5 30.1 -13.7 8 8 A R - 0 0 103 1,-0.1 26,-0.4 220,-0.1 62,-0.1 -0.352 69.0-102.8 -63.7 148.7 34.5 31.1 -10.7 9 9 A P - 0 0 12 0, 0.0 62,-2.0 0, 0.0 63,-0.6 -0.302 21.1-119.6 -75.0 159.9 34.6 28.3 -8.1 10 10 A I E -ab 35 72A 0 24,-3.0 26,-2.0 60,-0.2 2,-0.3 -0.843 34.9-134.0 -95.3 131.9 32.6 28.1 -4.8 11 11 A G E -ab 36 73A 0 61,-3.3 63,-3.0 -2,-0.5 2,-0.4 -0.707 20.3-171.4 -96.3 143.4 34.9 27.9 -1.9 12 12 A F E -ab 37 74A 1 24,-2.1 26,-2.4 -2,-0.3 2,-0.4 -0.995 4.3-172.1-131.3 124.8 34.7 25.5 1.1 13 13 A I E +ab 38 75A 1 61,-2.2 63,-2.0 -2,-0.4 2,-0.3 -0.908 10.3 166.3-118.2 148.1 36.9 25.8 4.2 14 14 A D E -a 39 0A 2 24,-1.9 26,-2.5 -2,-0.4 27,-0.1 -0.991 43.7-125.4-156.6 155.1 37.1 23.4 7.1 15 15 A S S S- 0 0 16 -2,-0.3 28,-0.3 24,-0.2 29,-0.2 0.887 93.6 -21.5 -70.2 -38.1 39.2 22.5 10.1 16 16 A G S S- 0 0 3 23,-0.1 25,-0.2 24,-0.1 -2,-0.1 -0.001 98.6 -51.2-136.4-120.5 39.6 18.9 8.9 17 17 A V S > S+ 0 0 8 2,-0.1 3,-2.6 1,-0.1 4,-0.3 0.545 101.8 90.1-110.9 -13.0 37.9 16.4 6.6 18 18 A G T > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.879 78.9 67.0 -51.8 -39.8 34.4 16.6 7.9 19 19 A G T >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.613 78.8 83.1 -58.7 -11.6 33.7 19.3 5.4 20 20 A L H <> S+ 0 0 0 -3,-2.6 4,-2.5 1,-0.3 -1,-0.3 0.822 84.3 58.0 -63.1 -29.3 34.2 16.7 2.6 21 21 A T H <> S+ 0 0 6 -3,-2.1 4,-1.4 168,-0.3 -1,-0.3 0.770 103.7 51.9 -71.8 -24.0 30.6 15.6 3.1 22 22 A V H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.4 -2,-0.2 0.899 110.9 47.7 -75.2 -41.3 29.4 19.2 2.3 23 23 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.902 108.3 55.0 -63.5 -41.3 31.5 19.1 -0.9 24 24 A K H X S+ 0 0 100 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.911 109.6 47.3 -59.3 -39.5 30.0 15.7 -1.7 25 25 A E H X S+ 0 0 26 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.871 110.7 51.4 -70.0 -35.8 26.6 17.3 -1.4 26 26 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 7,-0.2 0.899 105.5 55.2 -67.6 -40.5 27.6 20.2 -3.6 27 27 A L H < S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.5 40.3 -57.9 -40.0 28.9 17.9 -6.3 28 28 A K H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 122.9 35.7 -75.1 -52.1 25.5 16.3 -6.4 29 29 A Q H < S+ 0 0 74 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.772 125.7 39.0 -76.0 -27.7 23.2 19.3 -6.0 30 30 A L >< + 0 0 14 -4,-2.7 3,-1.9 -5,-0.3 -1,-0.2 -0.544 65.4 165.3-123.4 66.7 25.3 21.7 -8.1 31 31 A P T 3 S+ 0 0 69 0, 0.0 205,-0.9 0, 0.0 -1,-0.1 0.651 76.2 50.7 -56.5 -18.1 26.7 19.6 -11.0 32 32 A N T 3 S+ 0 0 54 203,-0.2 2,-0.4 -3,-0.1 205,-0.2 0.432 89.1 98.6-103.3 2.1 27.7 22.7 -12.9 33 33 A E < - 0 0 7 -3,-1.9 2,-0.2 -7,-0.2 203,-0.1 -0.713 68.0-129.1 -96.9 140.2 29.7 24.5 -10.2 34 34 A N - 0 0 3 -26,-0.4 -24,-3.0 -2,-0.4 2,-0.4 -0.576 27.6-146.7 -81.8 147.0 33.5 24.5 -9.8 35 35 A I E -ac 10 239A 0 203,-2.9 205,-2.4 -26,-0.3 2,-0.4 -0.934 21.3-179.2-125.0 140.3 34.8 23.7 -6.3 36 36 A L E -ac 11 240A 3 -26,-2.0 -24,-2.1 -2,-0.4 2,-0.4 -0.999 14.7-174.2-132.2 131.8 37.8 24.7 -4.2 37 37 A F E -ac 12 241A 0 203,-2.5 205,-3.0 -2,-0.4 2,-0.4 -0.990 10.2-170.0-132.9 138.7 38.3 23.1 -0.7 38 38 A V E -ac 13 242A 0 -26,-2.4 -24,-1.9 -2,-0.4 2,-0.5 -0.995 1.3-172.4-128.0 128.3 40.8 23.8 2.1 39 39 A G E -ac 14 243A 0 203,-2.6 205,-1.7 -2,-0.4 2,-1.1 -0.986 15.3-152.0-120.5 122.2 41.1 21.5 5.1 40 40 A D > + 0 0 1 -26,-2.5 3,-2.4 -2,-0.5 4,-0.5 -0.296 37.8 150.3 -90.0 53.4 43.4 22.8 7.9 41 41 A T G > + 0 0 41 -2,-1.1 3,-0.7 1,-0.3 -1,-0.2 0.761 63.6 69.4 -55.6 -27.8 44.4 19.4 9.2 42 42 A A G 3 S+ 0 0 63 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.672 114.2 28.1 -66.1 -15.8 47.8 20.7 10.3 43 43 A R G < S+ 0 0 42 -3,-2.4 -1,-0.2 -28,-0.3 -2,-0.2 0.246 98.1 158.1-126.8 8.8 45.9 22.7 13.0 44 44 A C < + 0 0 45 -3,-0.7 2,-0.1 -4,-0.5 -28,-0.0 -0.576 41.5 58.3 -76.4 141.7 42.9 20.4 13.5 45 45 A P + 0 0 78 0, 0.0 4,-0.0 0, 0.0 -4,-0.0 0.481 51.6 172.7 -83.9 159.0 41.1 20.2 15.9 46 46 A Y > + 0 0 1 2,-0.1 3,-1.3 -2,-0.1 8,-0.2 0.677 65.0 80.4 -97.0 -27.6 39.7 23.8 16.3 47 47 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.925 92.7 44.0 -46.2 -63.0 37.2 22.9 19.0 48 48 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.601 100.9 100.2 -62.2 -9.9 39.6 22.8 22.0 49 49 A R S < S- 0 0 76 -3,-1.3 -3,-0.1 1,-0.1 2,-0.0 -0.397 81.2-101.5 -82.2 156.1 41.1 26.1 20.7 50 50 A P > - 0 0 57 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.265 33.6-111.7 -67.6 158.5 40.4 29.7 21.8 51 51 A A H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.909 116.0 57.6 -60.0 -44.3 38.2 31.9 19.7 52 52 A E H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 108.3 46.8 -52.8 -48.4 41.0 34.1 18.6 53 53 A Q H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.957 111.8 49.3 -59.0 -53.9 42.9 31.1 17.2 54 54 A V H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.887 113.1 47.7 -54.1 -43.2 39.9 29.7 15.3 55 55 A I H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.903 112.4 48.7 -67.3 -41.6 39.1 33.1 13.8 56 56 A Q H X S+ 0 0 103 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.949 114.6 44.8 -63.6 -47.7 42.7 33.7 12.8 57 57 A Y H X S+ 0 0 31 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.844 112.3 51.9 -65.6 -34.5 43.0 30.3 11.2 58 58 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.862 108.6 51.4 -70.4 -34.6 39.6 30.6 9.5 59 59 A W H X S+ 0 0 51 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.835 106.3 55.2 -69.4 -32.9 40.7 34.0 8.0 60 60 A E H X S+ 0 0 45 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.888 110.7 43.8 -67.9 -38.3 43.8 32.4 6.7 61 61 A M H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.884 115.4 50.0 -71.4 -38.5 41.8 29.8 4.8 62 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.962 111.0 47.2 -62.2 -55.1 39.3 32.4 3.6 63 63 A D H X S+ 0 0 75 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 111.1 54.4 -53.8 -41.9 42.1 34.8 2.4 64 64 A Y H X S+ 0 0 50 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.914 111.7 41.4 -61.1 -46.9 43.7 31.8 0.6 65 65 A L H <>S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 4,-0.4 0.847 111.5 55.5 -72.1 -34.4 40.5 30.8 -1.3 66 66 A V H ><5S+ 0 0 58 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.919 107.9 49.7 -63.1 -41.5 39.6 34.4 -2.1 67 67 A E H 3<5S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.4 57.9 -69.3 -21.3 43.0 34.9 -3.7 68 68 A Q T 3<5S- 0 0 86 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.536 127.7-100.4 -82.4 -8.5 42.4 31.7 -5.6 69 69 A G T < 5 + 0 0 25 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.736 57.2 168.8 101.5 24.5 39.3 33.3 -7.1 70 70 A I < - 0 0 5 -5,-1.6 -60,-0.2 -62,-0.1 -1,-0.2 -0.369 23.5-163.0 -72.6 151.1 36.2 32.1 -5.3 71 71 A K S S+ 0 0 1 -62,-2.0 2,-0.3 1,-0.3 -61,-0.2 0.503 78.3 21.1-105.2 -11.8 32.8 33.9 -5.8 72 72 A M E S-b 10 0A 0 -63,-0.6 -61,-3.3 22,-0.2 2,-0.4 -0.978 70.8-141.3-156.7 144.6 31.1 32.5 -2.7 73 73 A L E -bd 11 96A 0 22,-3.0 24,-2.8 -2,-0.3 2,-0.5 -0.939 8.0-168.4-120.0 133.2 32.4 30.9 0.6 74 74 A V E -bd 12 97A 0 -63,-3.0 -61,-2.2 -2,-0.4 2,-1.1 -0.970 12.9-152.5-116.8 119.5 31.0 28.0 2.6 75 75 A I E -b 13 0A 0 22,-3.2 24,-0.4 -2,-0.5 -61,-0.1 -0.821 16.9-171.3 -92.1 100.0 32.3 27.5 6.1 76 76 A A + 0 0 0 -63,-2.0 2,-0.4 -2,-1.1 -62,-0.1 0.191 53.4 75.3 -81.7 13.9 31.8 23.7 6.3 77 77 A C S > S- 0 0 5 -64,-0.2 4,-2.5 1,-0.1 22,-0.2 -0.990 71.8-135.4-132.0 139.0 32.5 23.1 9.9 78 78 A N H > S+ 0 0 13 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.880 102.9 53.0 -53.4 -47.2 30.4 23.9 13.0 79 79 A T H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.943 113.8 40.8 -57.5 -53.1 33.3 25.3 15.1 80 80 A A H >>S+ 0 0 1 2,-0.2 4,-3.5 1,-0.2 5,-1.0 0.916 115.1 52.4 -63.1 -43.9 34.4 27.9 12.5 81 81 A T H X5S+ 0 0 11 -4,-2.5 4,-0.9 1,-0.2 5,-0.4 0.953 110.6 49.1 -55.6 -50.2 30.7 28.7 11.6 82 82 A A H <5S+ 0 0 62 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 125.1 25.6 -57.6 -43.5 30.0 29.3 15.3 83 83 A V H <5S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.2 4,-0.2 0.811 132.2 24.5 -96.0 -32.2 33.0 31.6 15.9 84 84 A A H X5S+ 0 0 0 -4,-3.5 4,-2.4 -5,-0.2 5,-0.3 0.706 90.4 89.6-110.7 -21.5 34.0 33.2 12.5 85 85 A L H X S+ 0 0 133 -5,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.885 114.7 48.4 -57.8 -41.4 29.5 36.7 11.1 87 87 A E H > S+ 0 0 92 -3,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.927 117.0 41.9 -65.3 -45.2 32.8 38.5 11.1 88 88 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.897 113.1 52.4 -70.3 -41.0 33.9 37.1 7.8 89 89 A K H < S+ 0 0 93 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.908 111.3 47.9 -61.6 -40.9 30.5 37.6 6.1 90 90 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.844 116.4 43.2 -68.5 -34.9 30.4 41.2 7.2 91 91 A A H < S+ 0 0 67 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.849 102.2 73.4 -81.6 -37.6 33.9 41.9 5.9 92 92 A L < - 0 0 36 -4,-2.7 4,-0.1 -5,-0.1 0, 0.0 -0.372 68.2-141.9 -79.7 159.8 33.9 40.1 2.6 93 93 A S S S+ 0 0 132 -2,-0.1 -1,-0.1 2,-0.1 -4,-0.1 0.452 81.7 77.6 -95.0 -5.8 32.1 41.2 -0.6 94 94 A I S S- 0 0 31 1,-0.1 -22,-0.2 -24,-0.0 -2,-0.1 -0.679 95.4 -91.0-103.5 159.7 31.1 37.7 -1.5 95 95 A P - 0 0 17 0, 0.0 -22,-3.0 0, 0.0 2,-0.4 -0.440 40.5-162.4 -68.2 142.5 28.3 35.6 0.0 96 96 A V E -d 73 0A 3 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.998 5.2-169.2-131.3 127.1 29.3 33.5 3.0 97 97 A I E -d 74 0A 5 -24,-2.8 -22,-3.2 -2,-0.4 2,-0.2 -0.905 3.7-158.4-119.2 147.2 27.3 30.5 4.3 98 98 A G - 0 0 4 -2,-0.3 -22,-0.1 -24,-0.2 -20,-0.1 -0.598 23.6-121.0-113.7 176.2 27.6 28.5 7.5 99 99 A V S S+ 0 0 0 -24,-0.4 -21,-0.1 -22,-0.2 116,-0.1 -0.080 92.9 64.0-112.4 35.4 26.4 25.0 8.5 100 100 A I S > S+ 0 0 18 -23,-0.1 4,-1.8 3,-0.1 5,-0.1 0.711 96.2 45.9-119.5 -50.4 24.1 25.6 11.5 101 101 A L H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 108.2 55.8 -65.7 -40.9 21.1 27.7 10.4 102 102 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.931 112.0 43.4 -58.6 -42.8 20.3 25.7 7.3 103 103 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.867 113.5 51.3 -68.6 -37.1 20.0 22.5 9.2 104 104 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.949 110.3 49.4 -62.9 -49.1 18.1 24.2 12.0 105 105 A R H X S+ 0 0 109 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.919 111.5 49.7 -55.6 -47.0 15.6 25.6 9.5 106 106 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.894 110.4 49.4 -62.0 -41.6 15.2 22.2 7.9 107 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.938 107.1 54.0 -63.7 -47.7 14.6 20.5 11.3 108 108 A V H < S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.0 45.6 -55.5 -32.4 11.9 23.0 12.3 109 109 A K H < S+ 0 0 186 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 114.9 45.6 -80.7 -37.0 10.2 22.3 9.0 110 110 A K H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.807 88.1 100.3 -77.0 -33.3 10.4 18.5 9.2 111 111 A T < + 0 0 18 -4,-2.7 5,-0.1 -5,-0.2 72,-0.0 -0.291 39.3 175.3 -62.2 136.5 9.4 17.9 12.8 112 112 A Q S S+ 0 0 159 3,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.776 82.6 32.6-105.6 -44.6 5.8 16.8 13.5 113 113 A N S S- 0 0 64 2,-0.2 3,-0.1 67,-0.1 -2,-0.1 0.353 103.8-118.8 -96.8 5.4 5.7 16.3 17.2 114 114 A K S S+ 0 0 86 1,-0.2 28,-3.3 27,-0.1 2,-0.9 0.698 72.6 132.2 66.0 19.1 8.2 19.0 18.1 115 115 A Q E +f 142 0B 50 65,-0.2 67,-1.7 26,-0.2 68,-1.1 -0.855 34.9 177.9-104.0 96.9 10.6 16.5 19.6 116 116 A V E -fg 143 183B 0 26,-1.8 28,-2.7 -2,-0.9 2,-0.3 -0.853 12.3-169.1-109.2 136.2 13.9 17.4 18.0 117 117 A G E -fg 144 184B 0 66,-3.1 68,-3.2 -2,-0.4 2,-0.4 -0.858 2.2-168.9-119.6 154.8 17.3 15.8 18.7 118 118 A I E -fg 145 185B 2 26,-2.2 28,-2.9 -2,-0.3 2,-0.4 -0.990 1.3-168.5-145.2 133.5 20.8 16.9 17.7 119 119 A I E +fg 146 186B 0 66,-2.2 68,-2.1 -2,-0.4 2,-0.3 -0.929 28.2 116.7-122.0 147.2 24.0 14.9 17.8 120 120 A G E -f 147 0B 0 26,-1.3 28,-2.1 -2,-0.4 68,-0.2 -0.945 64.1 -37.2 179.5-169.5 27.5 16.2 17.4 121 121 A T > - 0 0 42 66,-0.3 4,-2.9 -2,-0.3 5,-0.2 -0.268 58.5-109.2 -69.0 160.3 30.8 16.7 19.2 122 122 A I H > S+ 0 0 87 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.844 121.0 57.1 -60.7 -32.0 30.8 17.7 22.9 123 123 A G H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.950 109.8 42.6 -63.1 -49.0 32.1 21.1 21.8 124 124 A T H >>S+ 0 0 13 2,-0.2 4,-0.8 1,-0.2 5,-0.7 0.943 117.4 47.4 -62.0 -47.8 29.1 21.6 19.5 125 125 A V H ><5S+ 0 0 19 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.942 111.8 49.0 -59.7 -49.0 26.7 20.3 22.0 126 126 A K H 3<5S+ 0 0 153 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 101.6 63.2 -64.4 -26.2 28.0 22.3 24.9 127 127 A S H 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.767 93.8-147.1 -68.7 -23.3 27.9 25.5 22.8 128 128 A Q T < + 0 0 18 -5,-0.7 4,-2.5 1,-0.2 5,-0.2 0.890 70.0 42.3 -51.2 -49.2 24.2 26.6 19.2 130 130 A Y H > S+ 0 0 3 -6,-0.3 4,-3.2 2,-0.2 5,-0.2 0.921 113.9 50.9 -68.0 -43.4 21.6 24.2 17.8 131 131 A E H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 113.3 46.2 -60.0 -45.3 19.3 24.4 20.8 132 132 A K H X S+ 0 0 103 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.947 114.5 46.5 -62.4 -49.0 19.4 28.2 20.8 133 133 A A H X S+ 0 0 6 -4,-2.5 4,-0.7 -5,-0.3 -2,-0.2 0.909 113.9 49.0 -60.4 -43.0 18.8 28.4 17.0 134 134 A L H >X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 3,-1.0 0.957 115.4 42.3 -62.2 -49.9 16.0 25.8 17.2 135 135 A K H 3< S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.689 103.4 65.0 -72.9 -18.8 14.2 27.6 20.0 136 136 A E H 3< S+ 0 0 155 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.717 114.7 35.6 -73.1 -18.5 14.8 31.0 18.6 137 137 A K H << S+ 0 0 86 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.843 138.1 10.9 -98.5 -46.8 12.5 29.8 15.9 138 138 A V >< - 0 0 28 -4,-2.6 3,-2.0 -5,-0.1 -1,-0.2 -0.766 61.9-174.5-138.2 89.0 10.0 27.5 17.7 139 139 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.697 79.8 68.4 -57.4 -21.2 10.2 27.8 21.5 140 140 A E T 3 S+ 0 0 120 2,-0.1 -5,-0.1 -5,-0.0 2,-0.1 0.521 76.6 115.5 -78.1 -2.7 7.7 25.0 22.0 141 141 A L < - 0 0 8 -3,-2.0 2,-0.8 -7,-0.1 -26,-0.2 -0.364 63.2-140.8 -68.3 144.1 10.3 22.5 20.7 142 142 A T E -f 115 0B 69 -28,-3.3 -26,-1.8 -2,-0.1 2,-0.5 -0.914 26.2-165.3-105.8 104.9 11.6 19.8 23.0 143 143 A V E -f 116 0B 19 -2,-0.8 2,-0.6 -28,-0.2 -26,-0.2 -0.834 13.2-168.5-101.2 123.8 15.3 19.6 22.1 144 144 A T E -f 117 0B 24 -28,-2.7 -26,-2.2 -2,-0.5 2,-0.5 -0.940 8.8-165.7-109.8 114.5 17.5 16.8 23.2 145 145 A S E -f 118 0B 40 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.2 -0.895 7.3-176.4-104.7 124.7 21.2 17.4 22.5 146 146 A L E -f 119 0B 41 -28,-2.9 -26,-1.3 -2,-0.5 2,-0.3 -0.967 18.4-143.2-127.5 124.6 23.6 14.5 22.7 147 147 A A E -f 120 0B 17 -2,-0.4 -26,-0.2 -28,-0.2 -25,-0.1 -0.599 7.2-160.3 -80.8 141.0 27.4 14.5 22.3 148 148 A C >> - 0 0 1 -28,-2.1 3,-1.8 -2,-0.3 4,-0.5 -0.655 9.0-172.8-124.5 73.9 28.8 11.4 20.5 149 149 A P T 34 S+ 0 0 101 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.665 77.9 36.9 -35.4 -43.9 32.5 11.4 21.6 150 150 A K T 3> S+ 0 0 136 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.503 88.5 91.2 -99.7 -2.6 33.9 8.7 19.4 151 151 A F H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.932 88.1 50.1 -57.3 -48.3 31.9 9.2 16.1 152 152 A V H X S+ 0 0 31 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.916 109.3 53.2 -56.2 -43.5 34.5 11.5 14.6 153 153 A S H > S+ 0 0 70 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.924 108.5 48.9 -57.1 -48.8 37.2 9.0 15.4 154 154 A V H <>S+ 0 0 11 -4,-2.1 5,-2.4 1,-0.2 6,-0.2 0.923 115.2 43.8 -57.7 -48.8 35.4 6.1 13.7 155 155 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 5,-0.3 0.920 112.8 49.9 -65.0 -47.5 34.8 8.2 10.5 156 156 A E H 3<5S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 108.5 54.4 -65.5 -22.3 38.3 9.7 10.3 157 157 A S T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.314 115.1-120.1 -91.3 6.9 39.7 6.2 10.7 158 158 A N T < 5S+ 0 0 34 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.886 82.2 117.2 53.0 47.8 37.6 5.1 7.7 159 159 A E > < + 0 0 103 -5,-2.4 3,-1.6 -6,-0.1 6,-0.4 -0.046 22.9 126.3-128.8 27.5 35.7 2.5 9.8 160 160 A Y T 3 S+ 0 0 27 -5,-0.3 37,-0.2 1,-0.3 -5,-0.1 0.482 79.4 43.7 -67.8 -3.3 32.2 4.0 9.5 161 161 A H T 3 S+ 0 0 119 -7,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.313 95.1 106.1-120.9 4.3 30.9 0.7 8.2 162 162 A S S <> S- 0 0 27 -3,-1.6 4,-2.1 -8,-0.1 5,-0.2 -0.220 82.5-108.3 -83.0 172.7 32.7 -1.6 10.6 163 163 A S H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.857 120.8 57.2 -66.2 -37.6 31.4 -3.6 13.6 164 164 A V H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 107.2 50.9 -59.2 -40.9 33.2 -1.2 16.0 165 165 A A H > S+ 0 0 0 -6,-0.4 4,-2.9 1,-0.2 5,-0.3 0.955 108.9 47.8 -60.9 -55.0 31.2 1.5 14.3 166 166 A K H X S+ 0 0 118 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.817 114.2 48.7 -58.6 -32.0 27.8 -0.2 14.7 167 167 A K H X S+ 0 0 125 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.929 112.0 47.6 -73.5 -46.5 28.6 -0.9 18.4 168 168 A I H X S+ 0 0 24 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.918 116.4 43.3 -60.7 -45.3 29.7 2.7 19.1 169 169 A V H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.918 113.1 51.3 -69.0 -43.8 26.7 4.2 17.5 170 170 A A H X S+ 0 0 41 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.942 116.5 40.0 -58.7 -50.2 24.2 1.8 19.0 171 171 A E H >< S+ 0 0 118 -4,-2.4 3,-0.5 2,-0.2 -2,-0.2 0.936 116.2 49.9 -66.1 -47.7 25.5 2.4 22.5 172 172 A T H 3< S+ 0 0 34 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.912 116.8 40.0 -58.3 -45.6 26.0 6.1 22.2 173 173 A L H >X S+ 0 0 0 -4,-2.6 3,-2.0 -5,-0.2 4,-1.0 0.544 84.8 101.5 -83.7 -8.6 22.5 6.8 20.7 174 174 A A G X< S+ 0 0 45 -4,-1.0 3,-1.4 -3,-0.5 4,-0.2 0.889 79.7 52.1 -42.0 -57.3 20.6 4.3 23.0 175 175 A P G >4 S+ 0 0 64 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.717 105.2 58.2 -56.9 -20.3 19.2 7.1 25.3 176 176 A L G X4 S+ 0 0 1 -3,-2.0 3,-1.0 1,-0.2 5,-0.5 0.768 90.0 71.2 -80.1 -26.3 17.9 9.0 22.3 177 177 A T G << S+ 0 0 66 -3,-1.4 -1,-0.2 -4,-1.0 3,-0.2 0.454 93.9 56.3 -71.0 -0.2 15.7 6.2 21.1 178 178 A T G < S+ 0 0 113 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.022 85.4 76.6-123.0 32.2 13.3 6.6 24.0 179 179 A K S < S- 0 0 89 -3,-1.0 3,-0.1 2,-0.1 -1,-0.1 0.244 98.8-113.1-124.6 12.9 12.2 10.2 23.7 180 180 A K + 0 0 172 1,-0.2 2,-0.4 -3,-0.2 -65,-0.2 0.831 53.7 171.2 58.9 33.1 9.8 10.1 20.8 181 181 A I + 0 0 10 -5,-0.5 -1,-0.2 1,-0.1 -65,-0.2 -0.623 17.3 179.0 -75.9 127.0 12.2 12.2 18.7 182 182 A D + 0 0 23 -67,-1.7 25,-3.2 -2,-0.4 2,-0.4 0.460 68.4 44.9-107.5 -4.2 10.9 12.4 15.1 183 183 A T E -gh 116 207B 0 -68,-1.1 -66,-3.1 23,-0.2 2,-0.5 -0.976 61.9-174.6-143.7 125.0 13.8 14.6 13.8 184 184 A L E -gh 117 208B 0 23,-2.7 25,-2.8 -2,-0.4 2,-0.4 -0.973 15.2-145.9-125.4 121.6 17.5 14.2 14.4 185 185 A I E -gh 118 209B 0 -68,-3.2 -66,-2.2 -2,-0.5 2,-1.6 -0.691 12.3-138.5 -85.4 131.6 20.0 16.8 13.2 186 186 A L E -gh 119 210B 2 23,-2.9 25,-0.8 -2,-0.4 2,-0.4 -0.706 26.4-175.2 -87.8 85.3 23.4 15.4 12.3 187 187 A G + 0 0 0 -68,-2.1 -66,-0.3 -2,-1.6 2,-0.3 0.029 59.5 63.5 -76.1 27.8 25.3 18.3 13.9 188 188 A C S > S- 0 0 8 -2,-0.4 3,-1.3 -68,-0.2 23,-0.1 -0.957 76.4-137.3-149.5 128.2 28.8 17.3 12.8 189 189 A T T 3 S+ 0 0 10 -2,-0.3 -168,-0.3 1,-0.3 4,-0.1 0.580 102.6 63.8 -68.0 -6.5 29.8 17.1 9.1 190 190 A H T > S+ 0 0 18 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.794 86.7 77.8 -80.6 -28.8 31.6 13.8 9.8 191 191 A Y G X + 0 0 0 -3,-1.3 3,-2.0 1,-0.3 4,-0.5 0.678 69.4 75.2 -58.4 -27.3 28.3 12.1 10.6 192 192 A P G > S+ 0 0 25 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.831 89.4 63.9 -57.2 -27.1 26.8 11.5 7.2 193 193 A L G < S+ 0 0 19 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.756 106.4 43.7 -65.5 -22.8 29.3 8.7 6.8 194 194 A L G X> S+ 0 0 1 -3,-2.0 4,-2.6 -4,-0.3 3,-0.5 0.374 81.7 112.4-100.2 0.5 27.5 6.9 9.7 195 195 A R H <> S+ 0 0 90 -3,-1.1 4,-3.2 -4,-0.5 5,-0.3 0.838 71.3 53.8 -43.9 -50.8 24.0 7.7 8.4 196 196 A P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.935 114.4 42.1 -53.2 -48.2 23.0 4.1 7.6 197 197 A I H <> S+ 0 0 10 -3,-0.5 4,-2.6 -37,-0.2 5,-0.2 0.929 114.8 50.4 -64.6 -46.1 23.9 2.9 11.1 198 198 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.917 111.2 49.5 -58.7 -44.1 22.3 6.0 12.8 199 199 A Q H X S+ 0 0 48 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.934 111.1 48.8 -60.8 -48.1 19.1 5.5 10.8 200 200 A N H < S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.906 114.0 46.2 -59.3 -43.8 18.9 1.8 11.8 201 201 A V H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.1 43.0 -70.8 -32.0 19.5 2.6 15.4 202 202 A M H < S- 0 0 18 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.800 113.1-120.8 -83.7 -29.2 17.0 5.5 15.5 203 203 A G >< - 0 0 27 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.1 -0.053 25.6 -80.1 102.7 153.2 14.3 3.7 13.5 204 204 A E T 3 S+ 0 0 185 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.687 120.6 67.1 -62.3 -22.1 12.6 4.5 10.2 205 205 A N T 3 S+ 0 0 156 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.760 82.7 88.6 -71.6 -24.0 10.2 7.0 11.8 206 206 A V S < S- 0 0 9 -3,-1.3 2,-0.6 -7,-0.2 -23,-0.2 -0.633 72.7-141.0 -82.3 124.9 13.0 9.4 12.6 207 207 A Q E -h 183 0B 79 -25,-3.2 -23,-2.7 -2,-0.4 2,-0.5 -0.741 14.3-145.7 -86.6 121.4 13.9 12.0 10.0 208 208 A L E -h 184 0B 9 -2,-0.6 2,-0.6 -25,-0.2 -23,-0.2 -0.756 6.1-152.0 -90.9 128.0 17.6 12.7 9.7 209 209 A I E -h 185 0B 4 -25,-2.8 -23,-2.9 -2,-0.5 2,-0.9 -0.883 1.5-154.3-103.0 117.5 18.7 16.2 8.9 210 210 A D E > -h 186 0B 14 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 -0.819 4.8-161.0 -90.6 108.0 22.0 16.5 7.1 211 211 A S H > S+ 0 0 2 -2,-0.9 4,-2.0 -25,-0.8 -1,-0.2 0.876 89.2 49.1 -56.7 -42.2 23.3 20.0 8.0 212 212 A G H > S+ 0 0 1 -26,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 109.4 51.3 -65.1 -45.1 25.7 20.1 5.1 213 213 A A H > S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.877 111.5 48.2 -59.1 -39.0 23.1 19.0 2.6 214 214 A E H X S+ 0 0 77 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.870 108.4 54.4 -70.2 -35.6 20.8 21.7 3.8 215 215 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.903 106.2 51.6 -64.1 -39.9 23.6 24.2 3.6 216 216 A V H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.820 104.2 59.5 -66.3 -28.1 24.1 23.3 -0.0 217 217 A G H X S+ 0 0 15 -4,-1.2 4,-1.2 -5,-0.2 -1,-0.2 0.910 105.7 46.8 -65.2 -41.1 20.4 23.8 -0.5 218 218 A E H X S+ 0 0 39 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.894 107.1 58.1 -66.7 -39.7 20.8 27.4 0.6 219 219 A V H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.912 100.9 57.0 -56.1 -43.4 23.8 27.9 -1.7 220 220 A S H X S+ 0 0 51 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.910 110.7 43.0 -55.6 -44.4 21.6 26.9 -4.7 221 221 A M H X S+ 0 0 130 -4,-1.2 4,-2.8 1,-0.2 3,-0.5 0.908 111.4 53.8 -69.2 -42.7 19.2 29.7 -3.9 222 222 A L H X S+ 0 0 35 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.830 100.8 60.8 -63.2 -31.3 21.9 32.3 -3.1 223 223 A L H <>S+ 0 0 4 -4,-2.3 5,-2.6 -5,-0.2 6,-0.9 0.890 111.7 39.7 -63.0 -36.9 23.5 31.6 -6.5 224 224 A D H ><5S+ 0 0 94 -4,-1.0 3,-0.7 -3,-0.5 -2,-0.2 0.915 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