==== 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 25-DEC-06 2ODO . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR H.TSUGE,K.OHNISHI,K.YOKOIGAWA . 1424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 940 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 159 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 12 0.8 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 . 108 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 2 13 5 4 8 1 0 3 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 16 4 0 1 3 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 . 11 5 0 12 0 4 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 . 1 0 4 0 4 0 0 0 4 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 78 0, 0.0 442,-0.1 0, 0.0 441,-0.0 0.000 360.0 360.0 360.0 170.1 127.3 121.5 79.8 2 2 A R - 0 0 19 1,-0.1 414,-0.0 437,-0.1 436,-0.0 -0.530 360.0-139.6 -66.6 122.5 129.2 118.7 77.9 3 3 A P + 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.592 66.5 115.4 -65.1 -12.2 132.8 120.0 77.4 4 4 A A + 0 0 2 265,-0.1 2,-0.3 233,-0.1 233,-0.2 -0.399 39.0 159.4 -64.9 127.5 132.9 118.6 73.8 5 5 A R E -A 236 0A 88 231,-2.6 231,-2.3 -2,-0.2 2,-0.6 -0.991 35.3-141.8-152.1 141.1 133.3 121.4 71.2 6 6 A A E -Ab 235 352A 0 345,-2.3 347,-2.9 -2,-0.3 2,-0.5 -0.936 19.9-154.0-105.5 117.8 134.4 121.8 67.6 7 7 A L E -Ab 234 353A 38 227,-2.9 227,-2.7 -2,-0.6 2,-0.6 -0.796 4.3-157.7 -94.2 130.1 136.3 125.0 66.9 8 8 A I E -Ab 233 354A 0 345,-3.2 347,-2.0 -2,-0.5 2,-1.1 -0.918 5.7-152.6-114.3 110.2 136.2 126.3 63.3 9 9 A D E > + b 0 355A 36 223,-2.6 4,-1.3 -2,-0.6 347,-0.2 -0.696 14.9 179.6 -82.6 99.7 139.0 128.7 62.2 10 10 A L H > S+ 0 0 14 345,-2.7 4,-2.0 -2,-1.1 346,-0.2 0.786 79.0 59.0 -72.2 -30.1 137.4 130.7 59.5 11 11 A Q H > S+ 0 0 103 344,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.871 106.3 48.7 -66.7 -38.1 140.5 132.8 58.9 12 12 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 218,-0.3 0.852 107.9 55.4 -66.5 -37.4 142.4 129.6 58.0 13 13 A L H X S+ 0 0 1 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.902 108.5 47.4 -61.4 -43.9 139.5 128.6 55.7 14 14 A R H X S+ 0 0 84 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.847 111.2 52.7 -63.7 -37.1 139.9 131.9 53.8 15 15 A H H X S+ 0 0 51 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.874 108.5 48.5 -67.9 -41.2 143.7 131.3 53.7 16 16 A N H X S+ 0 0 0 -4,-2.2 4,-1.2 197,-0.3 -1,-0.2 0.801 110.3 51.6 -71.1 -32.1 143.4 127.8 52.2 17 17 A Y H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 3,-0.3 0.921 108.6 50.3 -68.7 -45.9 140.9 129.0 49.5 18 18 A Q H X S+ 0 0 82 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.845 105.0 59.5 -59.1 -36.2 143.3 131.8 48.4 19 19 A L H X S+ 0 0 2 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.882 101.5 53.3 -59.2 -42.2 146.1 129.3 48.2 20 20 A A H X S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.3 6,-0.3 0.887 114.3 41.7 -61.1 -41.5 144.1 127.3 45.6 21 21 A R H X S+ 0 0 80 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.890 115.0 51.2 -69.2 -43.8 143.7 130.5 43.5 22 22 A E H < S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.891 114.7 40.5 -63.4 -44.7 147.3 131.6 44.0 23 23 A V H < S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.787 126.4 33.3 -78.0 -29.4 148.9 128.3 43.0 24 24 A T H < S- 0 0 29 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.763 87.9-142.8-101.7 -30.1 146.7 127.5 40.1 25 25 A G < + 0 0 70 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.638 64.8 99.5 75.9 17.3 145.9 131.0 38.7 26 26 A A S S- 0 0 21 -6,-0.3 -1,-0.3 -5,-0.2 2,-0.2 -0.615 82.1 -73.2-124.8 178.9 142.3 130.1 37.9 27 27 A K E -f 206 0B 79 178,-1.8 180,-2.9 -2,-0.2 2,-0.4 -0.514 47.2-150.2 -73.5 146.3 138.7 130.4 39.2 28 28 A A E -f 207 0B 0 178,-0.2 25,-0.9 -2,-0.2 26,-0.7 -0.975 12.4-155.5-129.9 122.0 137.9 128.1 42.1 29 29 A L E -g 54 0B 0 178,-2.7 2,-0.7 -2,-0.4 26,-0.3 -0.864 25.5-133.3 -88.3 117.6 134.6 126.6 43.2 30 30 A A E -g 55 0B 0 24,-2.4 26,-2.0 -2,-0.7 2,-0.8 -0.640 18.2-140.0 -71.2 109.9 134.7 125.9 46.9 31 31 A V E +g 56 0B 0 178,-2.2 26,-0.2 -2,-0.7 182,-0.1 -0.656 35.8 161.1 -78.0 109.4 133.4 122.3 47.2 32 32 A I > + 0 0 1 24,-2.4 4,-2.0 -2,-0.8 3,-0.2 -0.098 17.0 143.1-124.9 34.0 131.2 122.4 50.3 33 33 A X H > + 0 0 9 23,-0.4 4,-2.3 2,-0.2 5,-0.1 -0.279 59.1 36.8 -68.5 162.3 129.1 119.2 49.8 34 34 A A H > S- 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 144.8 -50.3 55.4 51.8 128.1 117.1 52.9 35 35 A D H >>S- 0 0 45 1,-0.2 5,-2.6 2,-0.2 4,-0.5 0.911 107.6 -54.6 51.6 50.9 127.7 120.2 55.1 36 36 A A H ><5S- 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.906 105.6 -52.2 47.7 52.0 131.1 121.5 54.0 37 37 A Y H 3<5S- 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.891 108.5 -52.0 53.7 43.1 132.8 118.2 55.1 38 38 A G H 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 307,-0.1 -2,-0.2 0.497 122.6 104.2 76.4 5.4 131.1 118.5 58.5 39 39 A H T <<5S- 0 0 0 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.657 98.4 -89.1 -89.3 -19.2 132.4 122.1 59.0 40 40 A G >< - 0 0 3 -5,-2.6 4,-2.1 -6,-0.2 5,-0.2 0.648 29.3-147.1 106.0 97.0 129.1 123.7 58.3 41 41 A A H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 95.2 52.1 -57.9 -45.2 128.2 124.7 54.8 42 42 A V H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.944 114.7 39.2 -60.2 -54.0 126.1 127.8 55.7 43 43 A R H > S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.829 117.2 50.8 -68.0 -33.8 128.8 129.5 57.9 44 44 A C H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.865 110.1 49.4 -70.5 -38.3 131.6 128.5 55.6 45 45 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 3,-0.3 0.866 109.1 52.2 -69.2 -38.3 129.8 129.9 52.5 46 46 A Q H < S+ 0 0 78 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.840 108.3 52.6 -63.9 -34.7 129.1 133.2 54.3 47 47 A A H < S+ 0 0 3 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.739 120.0 32.3 -72.9 -25.2 132.8 133.5 55.1 48 48 A L H >X S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.3 4,-0.8 0.670 91.2 91.2-106.5 -22.4 133.9 133.0 51.5 49 49 A E G >< S+ 0 0 49 -4,-2.2 3,-0.5 1,-0.3 -2,-0.1 0.777 81.1 59.9 -50.5 -39.4 131.2 134.5 49.4 50 50 A A G 34 S+ 0 0 107 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.812 123.2 20.2 -60.3 -33.0 132.7 138.0 49.2 51 51 A E G <4 S+ 0 0 66 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.193 103.1 102.8-125.5 13.9 135.9 136.7 47.6 52 52 A A << - 0 0 16 -4,-0.8 3,-0.1 -3,-0.5 -23,-0.1 -0.755 60.9-144.1-105.4 149.6 134.9 133.4 46.1 53 53 A D S S- 0 0 37 -25,-0.9 2,-0.3 -2,-0.3 -24,-0.2 0.777 71.8 -62.9 -77.1 -29.4 134.0 132.5 42.5 54 54 A G E -g 29 0B 0 -26,-0.7 -24,-2.4 19,-0.1 2,-0.3 -0.976 49.5 -96.3 167.5-173.0 131.3 130.0 43.5 55 55 A F E -gh 30 75B 0 19,-2.7 21,-2.9 -2,-0.3 2,-0.4 -0.880 16.1-147.8-132.8 162.7 130.4 126.8 45.4 56 56 A A E +gh 31 76B 0 -26,-2.0 -24,-2.4 -2,-0.3 -23,-0.4 -0.996 18.8 174.0-136.4 130.4 129.8 123.1 44.7 57 57 A V E - h 0 77B 1 19,-2.7 21,-2.8 -2,-0.4 22,-0.3 -0.779 36.4-120.4-129.2 172.8 127.5 120.7 46.4 58 58 A A S S+ 0 0 0 -2,-0.2 21,-0.5 19,-0.2 2,-0.3 0.820 86.4 8.2 -84.7 -35.2 126.2 117.2 46.1 59 59 A C S >> S- 0 0 1 19,-0.1 4,-1.3 20,-0.1 3,-0.7 -0.924 74.3-101.8-147.1 167.3 122.4 117.7 45.7 60 60 A I H 3> S+ 0 0 0 -2,-0.3 4,-2.8 20,-0.2 5,-0.2 0.828 114.8 60.2 -62.1 -35.9 119.7 120.3 45.3 61 61 A E H 3> S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.806 105.1 49.5 -66.1 -29.7 118.6 120.3 48.9 62 62 A E H <> S+ 0 0 17 -3,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.854 112.8 47.9 -71.3 -37.6 122.1 121.4 50.0 63 63 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-0.4 0.866 108.7 52.9 -70.7 -39.3 122.0 124.2 47.4 64 64 A L H X S+ 0 0 47 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.838 102.8 59.9 -63.6 -34.9 118.5 125.3 48.6 65 65 A E H < S+ 0 0 91 -4,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.804 105.3 48.9 -62.4 -32.2 119.9 125.5 52.1 66 66 A L H ><>S+ 0 0 0 -4,-0.8 5,-2.3 -3,-0.4 3,-0.5 0.884 109.4 49.8 -76.5 -41.6 122.4 128.1 50.9 67 67 A R H ><5S+ 0 0 45 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.900 107.5 55.0 -62.1 -42.6 119.9 130.3 49.1 68 68 A A T 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.692 106.6 52.9 -63.2 -20.6 117.6 130.3 52.2 69 69 A A T < 5S- 0 0 35 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.255 126.5-102.1 -98.1 8.4 120.7 131.6 54.1 70 70 A G T < 5 + 0 0 46 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.736 69.0 149.3 80.5 25.1 121.2 134.4 51.6 71 71 A I < + 0 0 2 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.833 13.3 170.1 -89.1 115.9 124.0 133.0 49.5 72 72 A R + 0 0 209 -2,-0.7 -1,-0.1 2,-0.1 3,-0.1 0.223 36.9 115.4-112.7 13.1 123.7 134.4 46.0 73 73 A A S S- 0 0 11 1,-0.1 -19,-0.1 -19,-0.0 2,-0.1 -0.347 83.6 -75.5 -69.9 160.0 127.0 133.3 44.6 74 74 A P - 0 0 40 0, 0.0 -19,-2.7 0, 0.0 2,-0.4 -0.386 50.6-162.0 -59.5 134.2 127.1 130.7 41.8 75 75 A I E -h 55 0B 0 19,-0.5 21,-3.1 -21,-0.2 2,-0.5 -0.987 3.2-153.9-124.4 126.3 126.3 127.1 43.0 76 76 A L E -hi 56 96B 0 -21,-2.9 -19,-2.7 -2,-0.4 2,-1.0 -0.846 11.3-142.4-100.9 130.9 127.1 124.0 41.1 77 77 A L E > -hi 57 97B 0 19,-3.2 21,-1.1 -2,-0.5 3,-0.8 -0.815 14.6-161.0 -88.9 101.4 125.2 120.7 41.5 78 78 A L T 3 S+ 0 0 3 -21,-2.8 -20,-0.2 -2,-1.0 -1,-0.2 0.718 91.0 30.1 -59.9 -27.2 128.1 118.2 41.2 79 79 A E T 3 S- 0 0 0 -21,-0.5 -1,-0.3 -22,-0.3 21,-0.2 0.440 104.4-144.5-108.0 -5.7 125.7 115.3 40.5 80 80 A G < - 0 0 0 -3,-0.8 -1,-0.3 16,-0.2 -20,-0.2 -0.304 49.0 -18.3 72.6-159.6 123.0 117.4 38.8 81 81 A F - 0 0 0 17,-0.3 3,-0.1 1,-0.1 -22,-0.0 -0.538 44.2-165.6 -80.7 145.9 119.3 116.7 39.2 82 82 A F S S+ 0 0 19 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.757 80.7 37.3 -96.8 -35.2 118.1 113.3 40.3 83 83 A E S > S- 0 0 89 1,-0.1 3,-1.6 21,-0.0 4,-0.3 -0.935 80.9-127.1-119.3 144.9 114.4 113.8 39.3 84 84 A A G > S+ 0 0 56 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.776 105.3 63.5 -60.9 -31.5 113.3 115.7 36.1 85 85 A D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.234 82.9 79.3 -83.4 15.3 110.9 118.0 38.1 86 86 A E G X> S+ 0 0 2 -3,-1.6 4,-1.6 2,-0.1 3,-0.8 0.692 74.7 80.9 -82.1 -24.7 113.9 119.5 39.9 87 87 A L H <> S+ 0 0 3 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.858 83.4 55.1 -53.8 -48.8 114.6 121.6 36.8 88 88 A P H 3> S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.860 110.7 48.2 -53.9 -35.6 112.1 124.4 37.5 89 89 A L H <> S+ 0 0 65 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.825 108.0 54.8 -71.3 -34.1 113.7 124.9 40.9 90 90 A I H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.4 0.907 112.2 43.3 -63.5 -43.3 117.2 125.0 39.2 91 91 A V H ><5S+ 0 0 18 -4,-2.4 3,-0.8 3,-0.2 -2,-0.2 0.929 112.8 52.5 -66.8 -48.2 116.0 127.8 36.9 92 92 A E H 3<5S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 120.6 32.6 -53.6 -45.4 114.2 129.7 39.7 93 93 A H T 3<5S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.318 107.0-123.3-100.7 6.9 117.4 129.6 41.9 94 94 A D T < 5 + 0 0 88 -3,-0.8 -19,-0.5 -4,-0.4 2,-0.3 0.926 44.7 175.1 50.7 56.7 119.9 129.8 39.1 95 95 A F < - 0 0 0 -5,-2.2 2,-0.4 -21,-0.1 23,-0.3 -0.727 32.1-123.9 -90.7 141.5 121.8 126.7 39.9 96 96 A W E -i 76 0B 27 -21,-3.1 -19,-3.2 -2,-0.3 2,-0.4 -0.723 33.4-148.2 -83.4 134.9 124.6 125.4 37.7 97 97 A C E -ij 77 119B 0 21,-2.3 23,-3.1 -2,-0.4 2,-0.4 -0.864 9.2-144.6-118.5 137.1 123.9 121.8 36.7 98 98 A V E - j 0 120B 0 -21,-1.1 2,-0.6 -2,-0.4 -17,-0.3 -0.815 7.7-158.7 -96.5 134.3 126.1 118.8 35.9 99 99 A V E + j 0 121B 1 21,-1.3 23,-2.5 -2,-0.4 33,-0.2 -0.961 25.1 156.8-112.9 114.1 125.1 116.3 33.2 100 100 A H + 0 0 2 -2,-0.6 31,-1.0 -21,-0.2 2,-0.3 0.439 61.4 41.6-114.4 -7.0 126.8 112.9 33.7 101 101 A S S >> S- 0 0 14 29,-0.1 3,-1.1 31,-0.1 4,-1.1 -0.993 76.9-119.1-145.9 151.7 124.4 110.6 31.8 102 102 A L H 3> S+ 0 0 68 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.724 110.6 63.0 -61.1 -26.1 122.4 110.6 28.6 103 103 A W H 3> S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.830 101.4 51.3 -68.6 -32.8 119.1 110.3 30.5 104 104 A Q H <> S+ 0 0 0 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.805 107.7 53.7 -70.1 -32.5 119.8 113.7 32.1 105 105 A L H X S+ 0 0 4 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.887 106.3 52.1 -67.4 -41.3 120.4 115.1 28.6 106 106 A D H X S+ 0 0 66 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.870 106.4 54.0 -62.2 -39.8 117.0 113.8 27.4 107 107 A A H X S+ 0 0 17 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.870 112.1 42.9 -64.7 -40.3 115.2 115.5 30.4 108 108 A I H < S+ 0 0 1 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.897 112.3 53.8 -71.2 -42.5 116.6 118.9 29.6 109 109 A E H < S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.789 115.4 39.8 -63.1 -30.7 116.1 118.5 25.8 110 110 A Q H < S+ 0 0 147 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.812 100.1 82.8 -91.4 -35.2 112.4 117.7 26.3 111 111 A A S < S- 0 0 34 -4,-1.7 2,-0.6 -5,-0.2 -27,-0.0 -0.253 72.8-130.8 -71.5 157.4 111.4 120.1 29.1 112 112 A R - 0 0 202 37,-0.0 2,-0.3 -2,-0.0 -3,-0.1 -0.942 26.8-165.0-114.3 111.2 110.5 123.8 28.6 113 113 A L - 0 0 31 -2,-0.6 -26,-0.0 -5,-0.1 4,-0.0 -0.695 25.8-138.2-101.9 145.5 112.4 126.2 30.9 114 114 A A S S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.2 35,-0.0 0.857 93.5 15.3 -66.0 -38.2 111.6 129.8 31.7 115 115 A K S S- 0 0 148 34,-0.1 -1,-0.2 -3,-0.0 2,-0.1 -0.976 90.3-100.5-136.3 149.3 115.4 130.7 31.5 116 116 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 34,-0.3 -0.385 37.6-144.0 -70.0 148.9 118.4 128.9 30.0 117 117 A I E - k 0 150B 1 32,-2.5 34,-1.2 -2,-0.1 35,-0.5 -0.846 14.9-109.1-118.7 150.5 120.7 127.0 32.4 118 118 A H E - 0 0 43 -2,-0.3 -21,-2.3 -23,-0.3 2,-0.5 -0.589 32.1-157.1 -75.0 131.4 124.5 126.4 32.7 119 119 A V E -jk 97 153B 0 33,-2.8 35,-2.5 -2,-0.3 2,-0.9 -0.956 12.1-163.1-116.3 123.9 125.5 122.8 31.9 120 120 A W E -jk 98 154B 2 -23,-3.1 -21,-1.3 -2,-0.5 2,-0.6 -0.832 20.9-150.7-102.2 91.6 128.8 121.3 33.1 121 121 A L E -jk 99 155B 0 33,-1.2 35,-2.3 -2,-0.9 2,-0.4 -0.513 11.0-146.7 -72.6 112.5 129.0 118.2 30.9 122 122 A X E - 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0 0 16 -4,-1.3 3,-0.1 -3,-0.2 -23,-0.1 -0.663 59.8-144.5 -94.7 147.0 77.9 99.2 101.2 1124 53 D D S S- 0 0 43 -25,-0.8 2,-0.3 -2,-0.3 -24,-0.2 0.743 72.2 -59.1 -76.3 -25.9 76.8 100.6 104.6 1125 54 D G E -i 1100 0N 0 -26,-0.7 -24,-2.4 19,-0.1 2,-0.3 -0.974 50.8 -97.7 167.2-174.1 74.5 103.1 102.8 1126 55 D F E -ij11011146N 0 19,-2.8 21,-3.0 -2,-0.3 2,-0.4 -0.923 16.9-149.6-134.5 157.5 74.1 105.9 100.3 1127 56 D A E +ij11021147N 0 -26,-1.8 -24,-2.0 -2,-0.3 -23,-0.3 -0.997 18.0 173.9-132.8 131.8 73.8 109.7 100.4 1128 57 D V E - j 01148N 1 19,-2.4 21,-2.5 -2,-0.4 22,-0.3 -0.806 36.3-120.8-129.9 170.8 72.0 112.0 98.0 1129 58 D A S S+ 0 0 0 -2,-0.3 21,-0.8 19,-0.2 2,-0.2 0.916 86.3 7.2 -78.1 -47.2 71.1 115.7 97.6 1130 59 D C S >> S- 0 0 1 19,-0.1 4,-1.1 20,-0.1 3,-0.5 -0.794 74.5-101.3-136.7 172.9 67.3 115.6 97.5 1131 60 D I H 3> S+ 0 0 0 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.822 115.4 60.2 -67.5 -33.8 64.3 113.3 97.9 1132 61 D E H 3> S+ 0 0 65 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.762 105.5 49.3 -67.4 -25.8 63.7 112.9 94.1 1133 62 D E H <> S+ 0 0 16 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.804 114.0 46.3 -76.4 -33.2 67.2 111.4 93.8 1134 63 D A H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.843 108.0 54.0 -78.4 -37.9 66.4 109.0 96.7 1135 64 D L H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.810 102.9 59.9 -65.0 -31.5 63.0 108.0 95.4 1136 65 D E H X S+ 0 0 88 -4,-0.8 4,-0.6 -5,-0.2 -1,-0.2 0.869 105.0 48.4 -62.0 -39.6 64.7 107.0 92.1 1137 66 D L H <>S+ 0 0 0 -4,-0.8 5,-2.4 -3,-0.2 3,-0.2 0.855 108.8 52.8 -70.5 -37.6 66.9 104.5 94.0 1138 67 D R H ><5S+ 0 0 42 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.887 108.5 49.9 -64.6 -41.2 63.9 103.0 95.8 1139 68 D A H 3<5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.678 106.5 59.1 -68.6 -18.7 62.1 102.4 92.5 1140 69 D A T 3<5S- 0 0 29 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.253 124.6-100.9 -95.9 9.3 65.4 100.8 91.3 1141 70 D G T < 5S+ 0 0 49 -3,-1.4 2,-0.6 1,-0.3 -3,-0.2 0.507 73.2 144.0 87.4 6.0 65.3 98.1 94.1 1142 71 D I < + 0 0 2 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.687 14.4 165.5 -79.4 119.8 67.8 99.7 96.4 1143 72 D R + 0 0 206 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.120 36.2 116.5-122.9 21.0 66.8 99.1 100.1 1144 73 D A S S- 0 0 10 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.1 -0.506 84.3 -77.6 -73.0 155.4 70.1 100.1 101.7 1145 74 D P - 0 0 40 0, 0.0 -19,-2.8 0, 0.0 2,-0.5 -0.338 48.8-159.1 -61.1 134.7 69.9 103.1 104.0 1146 75 D I E -j 1126 0N 0 19,-0.5 21,-2.8 -21,-0.2 2,-0.4 -0.974 1.8-152.8-121.0 122.4 69.8 106.5 102.2 1147 76 D L E -jk11271167N 0 -21,-3.0 -19,-2.4 -2,-0.5 2,-0.9 -0.761 11.0-140.7 -92.2 135.8 70.7 109.8 103.8 1148 77 D L E > -jk11281168N 0 19,-3.2 3,-1.4 -2,-0.4 21,-1.2 -0.848 13.9-161.7 -94.1 101.5 69.2 113.1 102.6 1149 78 D L T 3 S+ 0 0 5 -21,-2.5 -20,-0.2 -2,-0.9 -1,-0.1 0.745 91.1 31.7 -58.8 -29.9 72.2 115.4 102.9 1150 79 D E T 3 S- 0 0 2 -21,-0.8 -1,-0.3 1,-0.3 21,-0.2 0.337 102.8-144.4-107.3 3.1 70.0 118.6 102.8 1151 80 D G < - 0 0 0 -3,-1.4 2,-0.3 16,-0.2 -1,-0.3 -0.426 51.9 -19.2 69.6-141.5 67.0 117.0 104.5 1152 81 D F - 0 0 1 17,-0.3 3,-0.1 -2,-0.1 -22,-0.0 -0.809 42.5-163.1-103.3 144.4 63.5 118.0 103.4 1153 82 D F S S+ 0 0 18 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.742 82.1 34.0 -92.2 -29.9 62.8 121.2 101.5 1154 83 D E S > S- 0 0 80 1,-0.1 3,-1.3 21,-0.0 -1,-0.2 -0.936 78.4-125.8-126.9 151.8 59.0 121.1 102.2 1155 84 D A G > S+ 0 0 59 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.816 105.2 65.5 -64.4 -34.1 57.1 119.9 105.3 1156 85 D D G 3 S+ 0 0 109 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.289 83.8 77.9 -76.3 11.5 54.9 117.6 103.3 1157 86 D E G <> S+ 0 0 1 -3,-1.3 4,-1.7 1,-0.1 3,-0.3 0.646 72.9 82.9 -87.0 -19.4 57.9 115.5 102.4 1158 87 D L H <> S+ 0 0 3 -3,-1.5 4,-2.0 1,-0.2 5,-0.2 0.850 85.3 51.7 -59.1 -45.5 58.0 113.8 105.9 1159 88 D P H > S+ 0 0 84 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.890 110.6 50.9 -58.9 -36.9 55.4 111.1 105.3 1160 89 D L H > S+ 0 0 62 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.838 107.1 53.9 -65.7 -35.4 57.3 110.1 102.1 1161 90 D I H <>S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 4,-0.5 0.897 112.7 43.4 -63.6 -42.3 60.5 109.9 104.3 1162 91 D V H ><5S+ 0 0 21 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.938 110.8 55.3 -66.9 -50.2 58.7 107.5 106.7 1163 92 D E H 3<5S+ 0 0 145 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 120.9 29.0 -48.4 -48.8 57.2 105.5 103.9 1164 93 D H T 3<5S- 0 0 58 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.341 108.7-121.0-100.5 4.6 60.6 104.7 102.3 1165 94 D D T < 5 + 0 0 85 -3,-0.8 -19,-0.5 -4,-0.5 2,-0.3 0.959 44.4 177.4 52.8 62.7 62.6 104.9 105.5 1166 95 D F < - 0 0 0 -5,-2.4 2,-0.5 -21,-0.1 23,-0.4 -0.741 30.9-124.1 -92.9 143.1 65.0 107.7 104.5 1167 96 D W E -k 1147 0N 26 -21,-2.8 -19,-3.2 -2,-0.3 2,-0.4 -0.766 33.7-148.9 -84.5 130.2 67.6 109.1 106.9 1168 97 D C E -kl11481190N 0 21,-2.6 23,-3.4 -2,-0.5 2,-0.5 -0.826 8.9-144.5-112.6 138.4 67.1 112.9 107.3 1169 98 D V E - l 01191N 0 -21,-1.2 2,-0.6 -2,-0.4 -17,-0.3 -0.857 7.7-158.7 -97.6 129.0 69.5 115.8 107.9 1170 99 D V E + l 01192N 0 21,-1.0 23,-2.9 -2,-0.5 33,-0.2 -0.950 25.3 157.0-104.0 117.6 68.4 118.7 110.0 1171 100 D H + 0 0 2 -2,-0.6 31,-0.7 -21,-0.2 2,-0.3 0.554 61.6 39.9-114.1 -17.5 70.5 121.8 109.3 1172 101 D S S >> S- 0 0 15 29,-0.1 4,-1.0 31,-0.1 3,-0.5 -0.905 77.8-118.5-132.7 162.3 68.2 124.6 110.4 1173 102 D L H 3> S+ 0 0 63 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.783 109.7 64.0 -69.9 -29.4 65.7 125.2 113.2 1174 103 D W H 3> S+ 0 0 69 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.808 101.9 51.3 -65.0 -30.4 62.7 125.6 110.8 1175 104 D Q H <> S+ 0 0 0 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.834 107.8 52.7 -71.1 -35.9 63.3 121.9 109.9 1176 105 D L H X S+ 0 0 2 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.872 107.0 52.1 -65.9 -39.6 63.3 121.0 113.6 1177 106 D D H X S+ 0 0 61 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.850 106.9 53.9 -64.2 -37.0 60.0 122.8 114.1 1178 107 D A H X S+ 0 0 18 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.885 111.6 43.7 -65.7 -41.6 58.4 120.8 111.2 1179 108 D I H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.3 53.6 -69.2 -41.5 59.4 117.4 112.7 1180 109 D E H < S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.0 39.2 -62.7 -38.4 58.3 118.5 116.2 1181 110 D Q H < S+ 0 0 143 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.796 100.1 84.9 -86.1 -32.3 54.8 119.5 115.1 1182 111 D A S < S- 0 0 33 -4,-1.6 2,-0.7 -5,-0.2 38,-0.0 -0.350 73.2-131.4 -73.9 151.5 54.1 116.7 112.6 1183 112 D R - 0 0 205 -2,-0.1 2,-0.3 37,-0.0 -3,-0.1 -0.911 26.5-164.5-106.9 108.9 52.7 113.3 113.5 1184 113 D L - 0 0 30 -2,-0.7 -26,-0.0 -5,-0.2 4,-0.0 -0.677 24.2-139.0 -97.3 144.7 54.7 110.5 111.9 1185 114 D A S S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.906 93.1 15.5 -64.4 -44.2 53.6 106.8 111.6 1186 115 D K S S- 0 0 152 34,-0.1 -1,-0.2 -3,-0.0 36,-0.1 -0.971 90.1-103.5-131.4 146.4 57.1 105.6 112.5 1187 116 D P - 0 0 62 0, 0.0 34,-0.3 0, 0.0 2,-0.2 -0.349 38.4-147.1 -67.0 150.3 60.1 107.5 114.0 1188 117 D I E - m 01221N 1 32,-2.5 34,-2.5 -2,-0.0 35,-0.8 -0.715 17.0-102.6-117.2 165.3 63.0 108.5 111.7 1189 118 D H E - m 01223N 44 -23,-0.4 -21,-2.6 -2,-0.2 2,-0.5 -0.769 33.5-158.7 -87.3 130.0 66.8 108.9 111.9 1190 119 D V E -lm11681224N 0 33,-2.7 35,-1.9 -2,-0.5 2,-1.0 -0.947 9.1-162.1-116.5 116.8 67.9 112.5 112.3 1191 120 D W E -lm11691225N 1 -23,-3.4 -21,-1.0 -2,-0.5 2,-0.4 -0.803 20.0-149.7 -96.6 93.8 71.5 113.5 111.3 1192 121 D L E -lm11701226N 0 33,-1.5 35,-3.1 -2,-1.0 2,-0.4 -0.504 9.6-146.8 -73.1 120.2 71.9 116.9 113.1 1193 122 D X E - m 01227N 7 -23,-2.9 10,-2.2 -2,-0.4 2,-0.5 -0.732 8.4-159.4 -95.4 133.3 74.2 119.2 111.2 1194 123 D L E -nm12031228N 0 33,-2.5 2,-1.1 -2,-0.4 35,-0.5 -0.924 17.7-136.8-109.1 131.2 76.5 121.7 112.9 1195 124 D D + 0 0 10 8,-2.4 7,-0.1 -2,-0.5 33,-0.1 -0.780 32.4 169.8 -81.1 99.1 78.0 124.7 111.1 1196 125 D S S S- 0 0 6 -2,-1.1 51,-0.2 33,-0.3 52,-0.1 0.152 73.2 -46.1-101.7 17.4 81.5 124.4 112.5 1197 126 D G S S+ 0 0 6 50,-0.1 -2,-0.1 33,-0.1 33,-0.1 0.302 117.6 88.4 142.0 -11.2 83.1 127.0 110.2 1198 127 D M S S- 0 0 2 31,-0.3 -232,-2.5 3,-0.1 -229,-0.1 0.828 71.1-150.2 -79.6 -33.6 82.0 126.5 106.6 1199 128 D H + 0 0 22 -234,-0.2 3,-0.1 2,-0.1 -242,-0.1 0.870 61.8 109.3 59.5 42.4 78.9 128.7 106.9 1200 129 D R S S- 0 0 14 1,-0.4 2,-0.3 -235,-0.1 -5,-0.1 0.633 88.4 -22.5 -98.4 -95.1 76.9 126.8 104.3 1201 130 D V S S+ 0 0 1 -7,-0.1 -1,-0.4 2,-0.0 2,-0.2 -0.884 92.6 86.3-116.7 155.3 74.1 124.9 106.1 1202 131 D G - 0 0 2 -31,-0.7 -8,-0.3 -2,-0.3 -31,-0.1 -0.543 69.3 -76.5 134.6 157.4 74.1 123.8 109.8 1203 132 D L B -n 1194 0N 8 -10,-2.2 -8,-2.4 -33,-0.2 -31,-0.1 -0.415 47.0 -99.7 -83.4 158.8 73.1 125.2 113.2 1204 133 D H >> - 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