==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-AUG-08 3E6E . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR K.Y.HWANG,A.PRIYADARSHI,E.H.LEE,M.W.SUNG . 1113 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 763 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 10.7 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 . 9 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 . 2 0.2 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 . 100 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 1 2 6 5 3 6 0 1 3 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 14 4 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 PARALLEL BRIDGES PER LADDER . 2 7 4 9 5 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 . 5 1 2 0 2 0 0 4 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 V 0 0 71 0, 0.0 2,-0.6 0, 0.0 810,-0.1 0.000 360.0 360.0 360.0 -9.3 36.5 -34.3 -3.3 2 3 A V - 0 0 39 808,-0.1 2,-2.0 363,-0.0 3,-0.3 -0.928 360.0-141.0-109.9 121.2 33.1 -36.0 -3.0 3 4 A G > + 0 0 0 361,-2.4 3,-1.3 -2,-0.6 5,-0.2 -0.391 41.3 150.5 -80.6 67.4 31.6 -36.2 0.5 4 5 A W T 3 S+ 0 0 121 -2,-2.0 -1,-0.2 1,-0.3 361,-0.0 0.721 70.2 65.4 -67.7 -17.4 30.0 -39.6 0.4 5 6 A H T 3 S+ 0 0 51 -3,-0.3 826,-0.4 2,-0.0 -1,-0.3 0.122 90.7 74.6 -92.9 23.9 30.6 -39.8 4.2 6 7 A R S < S- 0 0 10 -3,-1.3 824,-0.1 2,-0.2 802,-0.0 -0.998 82.3-131.5-134.7 126.0 28.2 -36.9 4.9 7 8 A P S S+ 0 0 21 0, 0.0 2,-0.9 0, 0.0 242,-0.1 0.516 73.9 114.3 -57.8 -1.7 24.5 -37.4 4.7 8 9 A T + 0 0 0 274,-0.2 2,-0.3 -5,-0.2 242,-0.3 -0.622 48.4 171.4 -76.2 110.7 24.1 -34.2 2.6 9 10 A R E -A 249 0A 44 240,-1.8 240,-2.8 -2,-0.9 2,-0.6 -0.884 37.1-144.7-125.6 154.9 22.9 -35.6 -0.8 10 11 A L E -Ab 248 367A 0 356,-2.5 358,-1.2 -2,-0.3 2,-0.5 -0.880 23.9-156.2-116.6 95.8 21.6 -34.3 -4.1 11 12 A H E - b 0 368A 64 236,-1.0 236,-0.4 -2,-0.6 2,-0.4 -0.626 6.6-162.9 -80.4 120.4 18.9 -36.8 -5.5 12 13 A I - 0 0 3 356,-3.1 2,-0.8 -2,-0.5 358,-0.3 -0.830 10.4-150.0-105.8 137.2 18.4 -36.7 -9.2 13 14 A D > + 0 0 45 232,-2.7 4,-1.1 -2,-0.4 3,-0.3 -0.845 15.8 177.7-106.9 94.9 15.3 -38.2 -10.9 14 15 A T H >> S+ 0 0 24 -2,-0.8 4,-2.2 1,-0.2 3,-0.5 0.909 78.0 63.2 -63.7 -42.2 16.4 -39.3 -14.4 15 16 A Q H 3> S+ 0 0 122 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.872 102.2 53.7 -48.9 -41.5 12.9 -40.7 -15.2 16 17 A A H 3> S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.885 104.5 51.8 -63.2 -42.1 11.6 -37.2 -14.9 17 18 A I H X S+ 0 0 70 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.958 112.2 41.5 -48.8 -57.2 6.4 -34.5 -23.6 24 25 A E H 3X S+ 0 0 3 -4,-1.6 4,-1.4 1,-0.2 3,-0.3 0.895 109.5 58.1 -58.7 -43.9 8.0 -31.9 -25.7 25 26 A C H 3< S+ 0 0 26 -4,-2.2 5,-0.3 1,-0.3 -1,-0.2 0.817 110.7 43.7 -57.3 -32.2 9.0 -34.3 -28.5 26 27 A Q H << S+ 0 0 141 -4,-2.0 -1,-0.3 -3,-0.6 -2,-0.2 0.730 112.4 51.7 -83.3 -25.4 5.3 -35.2 -28.9 27 28 A R H < S+ 0 0 145 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.631 96.9 98.8 -83.1 -16.7 4.3 -31.6 -28.7 28 29 A L S < S- 0 0 22 -4,-1.4 4,-0.1 -5,-0.2 6,-0.0 -0.396 94.6-104.2 -77.8 148.5 6.9 -30.9 -31.4 29 30 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.478 43.1-136.0 -48.0 -3.2 6.1 -30.6 -35.2 30 31 A E S S+ 0 0 151 -5,-0.3 -2,-0.0 1,-0.2 -5,-0.0 0.549 98.5 81.9 54.1 5.4 7.6 -34.1 -35.5 31 32 A G S S+ 0 0 62 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.170 87.3 82.7-121.2 29.4 9.4 -32.7 -38.5 32 33 A T S S- 0 0 32 -7,-0.1 2,-0.4 -4,-0.1 187,-0.3 -0.950 71.9-133.1-137.2 154.7 11.8 -31.4 -35.9 33 34 A A E -i 219 0B 21 185,-2.3 187,-2.4 -2,-0.3 2,-0.6 -0.843 12.7-139.8-110.8 146.5 14.7 -32.7 -33.8 34 35 A L E -i 220 0B 4 24,-0.4 26,-2.1 -2,-0.4 27,-0.5 -0.894 15.3-170.7-107.5 117.8 15.4 -32.3 -30.1 35 36 A F E -ij 221 61B 1 185,-2.7 187,-1.5 -2,-0.6 2,-0.6 -0.898 15.4-142.3-105.8 137.3 18.9 -31.6 -29.0 36 37 A A E -ij 222 62B 0 25,-2.4 27,-1.5 -2,-0.4 2,-0.6 -0.891 5.9-150.0-103.7 113.8 19.6 -31.8 -25.3 37 38 A V E + j 0 63B 0 185,-1.5 27,-0.2 -2,-0.6 25,-0.1 -0.745 23.2 168.9 -83.4 120.8 22.0 -29.2 -23.9 38 39 A V > + 0 0 2 25,-2.2 4,-1.9 -2,-0.6 26,-0.2 -0.146 21.8 139.2-125.8 37.0 23.7 -30.7 -20.9 39 40 A K H > + 0 0 2 24,-0.4 4,-2.3 2,-0.2 5,-0.2 -0.098 52.2 47.2 -72.9 179.7 26.6 -28.3 -20.2 40 41 A A H > S- 0 0 8 1,-0.2 4,-1.7 2,-0.2 6,-0.2 0.941 141.6 -56.3 47.9 52.5 27.7 -27.2 -16.7 41 42 A N H 4>S- 0 0 59 1,-0.3 5,-3.0 2,-0.2 3,-0.4 0.901 109.4 -43.0 45.5 55.2 27.6 -30.9 -15.8 42 43 A G H ><5S- 0 0 0 -4,-1.9 3,-2.0 4,-0.3 -1,-0.3 0.827 106.8 -61.6 66.1 31.4 24.0 -31.3 -16.8 43 44 A Y H 3<5S- 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.2 -48.6 64.6 30.8 23.0 -28.0 -15.1 44 45 A G T 3<5S+ 0 0 5 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.219 133.6 92.1 92.1 -14.8 24.2 -29.5 -11.9 45 46 A H T < 5S- 0 0 1 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.618 104.9 -85.0 -86.7 -13.8 22.2 -32.7 -12.5 46 47 A G >< - 0 0 0 -5,-3.0 4,-1.5 -6,-0.2 -4,-0.3 0.459 29.6-132.1 108.3 110.8 25.1 -34.6 -14.1 47 48 A A H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.946 99.6 40.8 -56.2 -60.9 26.0 -34.4 -17.8 48 49 A V H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 119.7 42.8 -61.7 -45.2 26.3 -38.0 -18.8 49 50 A E H > S+ 0 0 62 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.735 116.0 50.3 -74.7 -19.8 23.3 -39.4 -16.9 50 51 A S H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.2 5,-0.2 0.936 110.7 49.2 -76.7 -52.5 21.2 -36.4 -18.0 51 52 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.3 3,-0.4 0.935 110.5 49.1 -49.1 -56.2 22.1 -36.9 -21.6 52 53 A K H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.3 -1,-0.3 0.854 110.7 51.9 -55.1 -36.7 21.3 -40.6 -21.5 53 54 A A H < S+ 0 0 3 -4,-0.9 -1,-0.3 1,-0.2 4,-0.3 0.850 110.4 48.0 -69.1 -35.0 18.0 -39.8 -19.9 54 55 A A H X>S+ 0 0 0 -4,-2.1 5,-2.9 -3,-0.4 4,-0.6 0.790 108.5 56.4 -74.5 -29.3 17.3 -37.3 -22.7 55 56 A K H ><5S+ 0 0 86 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.988 107.4 44.3 -67.0 -57.5 18.3 -39.9 -25.3 56 57 A K T 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.624 110.3 61.8 -62.1 -8.7 15.8 -42.5 -24.2 57 58 A G T 345S- 0 0 5 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.647 134.0 -84.5 -89.8 -17.9 13.4 -39.6 -24.0 58 59 A G T <<5S+ 0 0 37 -3,-2.4 -24,-0.4 -4,-0.6 -3,-0.2 0.394 78.4 144.0 130.8 -1.0 13.8 -38.9 -27.7 59 60 A A < - 0 0 6 -5,-2.9 -1,-0.3 -8,-0.2 -24,-0.2 -0.345 23.2-178.8 -68.0 149.2 16.9 -36.7 -28.0 60 61 A T + 0 0 69 -26,-2.1 2,-0.3 1,-0.2 -25,-0.2 0.125 64.6 24.9-135.4 19.6 19.0 -37.3 -31.1 61 62 A G E -j 35 0B 0 -27,-0.5 -25,-2.4 19,-0.2 2,-0.4 -0.969 66.4-129.0-173.1 164.5 21.8 -34.8 -30.4 62 63 A F E -jk 36 82B 1 19,-2.4 21,-3.2 -2,-0.3 2,-0.4 -0.985 5.2-159.6-137.3 142.0 23.7 -32.8 -27.7 63 64 A C E +jk 37 83B 0 -27,-1.5 -25,-2.2 -2,-0.4 -24,-0.4 -0.948 20.3 161.3-117.3 132.1 24.7 -29.3 -26.9 64 65 A V E - k 0 84B 1 19,-1.9 21,-2.8 -2,-0.4 22,-0.3 -0.832 38.2-131.2-137.5 173.9 27.5 -28.3 -24.5 65 66 A A S S+ 0 0 5 -2,-0.3 21,-0.4 19,-0.2 2,-0.4 0.763 83.0 50.8-100.1 -31.3 29.6 -25.2 -23.9 66 67 A L > - 0 0 15 1,-0.1 4,-2.2 19,-0.1 5,-0.1 -0.877 69.3-133.7-119.8 144.9 33.1 -26.7 -23.8 67 68 A L H > S+ 0 0 3 -2,-0.4 4,-2.7 680,-0.3 5,-0.2 0.897 113.8 56.8 -52.2 -39.5 35.2 -29.0 -25.9 68 69 A D H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.932 104.2 49.5 -57.1 -49.7 36.0 -30.7 -22.7 69 70 A E H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.872 111.2 53.3 -57.9 -36.7 32.3 -31.3 -21.9 70 71 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.936 104.9 50.7 -64.3 -51.7 32.1 -32.7 -25.5 71 72 A I H X S+ 0 0 19 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.895 105.2 58.5 -57.7 -37.3 35.0 -35.2 -25.1 72 73 A E H X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.962 104.5 51.4 -56.6 -48.6 33.4 -36.5 -22.0 73 74 A L H <>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 4,-0.4 0.869 112.1 46.4 -55.9 -38.5 30.3 -37.3 -24.0 74 75 A R H ><5S+ 0 0 44 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.971 110.9 49.7 -68.8 -52.8 32.3 -39.2 -26.5 75 76 A E H 3<5S+ 0 0 150 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 106.1 61.0 -56.6 -23.5 34.3 -41.1 -24.0 76 77 A A T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.619 123.7-101.4 -80.3 -14.3 31.0 -42.0 -22.4 77 78 A G T < 5 + 0 0 48 -3,-2.3 2,-0.5 -4,-0.4 -3,-0.2 0.575 68.9 149.0 105.0 11.0 29.8 -43.8 -25.5 78 79 A V < + 0 0 14 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.707 17.3 176.8 -79.6 124.8 27.5 -41.1 -27.0 79 80 A Q + 0 0 178 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.390 46.0 100.5-108.7 -0.3 27.6 -41.6 -30.7 80 81 A D S S- 0 0 43 1,-0.2 -19,-0.2 -19,-0.0 2,-0.0 -0.277 90.1 -68.7 -80.7 170.1 25.1 -38.9 -31.7 81 82 A P - 0 0 30 0, 0.0 -19,-2.4 0, 0.0 2,-0.5 -0.361 46.9-160.5 -60.8 135.5 26.0 -35.4 -32.9 82 83 A I E -k 62 0B 0 18,-0.4 20,-2.4 -21,-0.2 2,-0.5 -0.942 5.1-164.3-123.0 107.0 27.6 -33.2 -30.3 83 84 A L E -kl 63 102B 1 -21,-3.2 -19,-1.9 -2,-0.5 2,-0.7 -0.796 12.5-145.8 -97.5 130.9 27.5 -29.5 -30.9 84 85 A I E -kl 64 103B 0 18,-2.5 20,-0.6 -2,-0.5 -19,-0.2 -0.848 10.9-155.2 -93.2 116.8 29.7 -27.1 -29.0 85 86 A L + 0 0 7 -21,-2.8 2,-0.2 -2,-0.7 -20,-0.2 0.610 68.6 50.7 -69.2 -20.2 27.7 -23.9 -28.6 86 87 A S S S- 0 0 8 -21,-0.4 18,-0.9 -22,-0.3 -2,-0.1 -0.612 100.0 -75.1-113.6 178.7 30.6 -21.4 -28.2 87 88 A V - 0 0 31 -2,-0.2 2,-0.4 16,-0.1 -1,-0.1 -0.353 43.5-147.7 -67.4 152.4 33.7 -20.7 -30.2 88 89 A V - 0 0 8 16,-0.4 660,-0.1 -22,-0.1 5,-0.1 -0.997 28.8 -99.6-126.6 127.1 36.5 -23.2 -29.7 89 90 A D > - 0 0 75 -2,-0.4 3,-3.2 658,-0.3 4,-0.1 -0.196 29.1-123.5 -50.5 122.9 40.1 -22.1 -29.8 90 91 A L G > S+ 0 0 51 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.689 105.0 75.2 -36.7 -31.9 41.6 -22.8 -33.2 91 92 A A G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.671 94.3 50.9 -62.3 -16.7 44.4 -24.9 -31.5 92 93 A Y G X> + 0 0 62 -3,-3.2 4,-2.0 1,-0.2 3,-0.7 0.193 69.5 111.4-109.3 17.8 41.9 -27.7 -31.0 93 94 A V H <> S+ 0 0 1 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 0.900 77.1 57.3 -55.9 -42.2 40.5 -28.2 -34.5 94 95 A P H 3> S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.832 105.3 49.9 -61.0 -30.9 42.3 -31.6 -34.7 95 96 A L H <> S+ 0 0 39 -3,-0.7 4,-3.1 2,-0.2 -2,-0.2 0.909 104.7 58.7 -72.4 -38.8 40.5 -32.8 -31.6 96 97 A L H <>S+ 0 0 1 -4,-2.0 5,-2.4 1,-0.2 -1,-0.2 0.922 110.6 42.4 -50.9 -46.7 37.2 -31.6 -33.2 97 98 A I H ><5S+ 0 0 37 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.900 111.1 57.5 -66.3 -42.3 38.0 -34.0 -36.1 98 99 A Q H 3<5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.927 118.3 29.6 -56.2 -49.1 39.1 -36.7 -33.6 99 100 A Y T 3<5S- 0 0 49 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.187 105.4-124.5 -98.5 17.8 35.8 -36.7 -31.8 100 101 A D T < 5 + 0 0 51 -3,-1.1 -18,-0.4 -5,-0.2 2,-0.3 0.900 51.5 168.4 37.0 60.3 33.7 -35.8 -34.8 101 102 A L < - 0 0 2 -5,-2.4 26,-0.4 -6,-0.2 2,-0.4 -0.732 36.3-125.0-102.4 150.0 32.2 -32.8 -33.0 102 103 A S E -l 83 0B 0 -20,-2.4 -18,-2.5 -2,-0.3 2,-0.3 -0.747 30.3-158.5 -90.8 140.5 30.2 -30.0 -34.4 103 104 A V E -lm 84 128B 0 24,-2.1 26,-2.7 -2,-0.4 2,-0.3 -0.883 14.5-123.9-122.4 153.8 31.6 -26.5 -33.7 104 105 A T E - m 0 129B 1 -18,-0.9 -16,-0.4 -20,-0.6 2,-0.4 -0.661 24.1-167.2 -91.2 148.2 30.1 -23.0 -33.6 105 106 A V E + m 0 130B 1 24,-1.8 26,-1.5 -2,-0.3 36,-0.2 -0.980 17.3 170.4-140.2 124.7 31.7 -20.4 -35.7 106 107 A A + 0 0 2 -2,-0.4 34,-0.3 24,-0.2 2,-0.3 0.181 61.6 48.9-120.7 16.8 31.0 -16.7 -35.4 107 108 A T > - 0 0 39 1,-0.1 4,-1.2 34,-0.1 34,-0.1 -0.997 64.0-135.7-154.8 154.5 33.6 -15.0 -37.6 108 109 A Q H > S+ 0 0 18 -2,-0.3 4,-2.1 2,-0.2 5,-0.3 0.911 104.5 62.8 -74.1 -44.4 35.2 -15.3 -41.1 109 110 A E H > S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.910 103.3 48.5 -45.2 -54.3 38.7 -14.9 -39.7 110 111 A W H >> S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 3,-1.0 0.938 109.1 52.4 -52.4 -57.7 38.4 -18.2 -37.7 111 112 A L H 3X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.3 -1,-0.2 0.903 109.8 46.1 -47.0 -55.2 37.0 -20.2 -40.7 112 113 A E H 3X S+ 0 0 99 -4,-2.1 4,-0.6 1,-0.2 -1,-0.3 0.713 115.2 51.3 -65.6 -17.5 39.8 -19.3 -43.1 113 114 A A H XX S+ 0 0 28 -4,-1.1 4,-0.9 -3,-1.0 3,-0.6 0.885 106.9 49.3 -84.8 -43.7 42.2 -20.0 -40.3 114 115 A A H 3< S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.856 102.4 65.7 -62.9 -33.4 40.8 -23.5 -39.4 115 116 A L H >< S+ 0 0 32 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 0.878 91.7 63.6 -55.2 -40.6 41.0 -24.3 -43.1 116 117 A Q H << S+ 0 0 162 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.956 106.8 40.5 -48.0 -61.2 44.8 -24.0 -42.9 117 118 A Q T 3< S+ 0 0 91 -4,-0.9 2,-0.4 -3,-0.1 -1,-0.3 0.335 98.5 98.5 -75.2 8.6 45.0 -27.0 -40.5 118 119 A L S < S- 0 0 14 -3,-1.7 41,-0.1 -4,-0.3 42,-0.1 -0.844 72.7-130.1-101.9 133.0 42.4 -29.0 -42.4 119 120 A T > - 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