==== 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 05-SEP-06 2DY3 . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR I.MIYAGUCHI,C.SASAKI,R.KATO,T.OIKAWA,S.SUGIO . 1365 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1005 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 10.3 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 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 0.1 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 . 130 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.3 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 6 9 4 4 6 2 0 3 1 0 4 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 8 8 7 1 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 PARALLEL BRIDGES PER LADDER . 0 8 0 12 8 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 . 1 0 4 0 4 1 0 3 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 84 0, 0.0 2,-0.4 0, 0.0 427,-0.2 0.000 360.0 360.0 360.0 144.1 -97.6 118.6 58.6 2 2 A N - 0 0 79 1,-0.1 3,-0.1 425,-0.1 333,-0.0 -0.868 360.0-151.9-108.7 136.4 -95.1 116.1 60.0 3 3 A L S S+ 0 0 13 -2,-0.4 231,-1.9 1,-0.2 2,-0.4 0.641 88.1 37.4 -77.0 -16.4 -91.6 117.0 60.9 4 4 A L E S+A 233 0A 5 330,-0.3 332,-2.5 229,-0.2 2,-0.3 -0.952 74.8 147.9-143.0 119.2 -90.4 113.4 60.2 5 5 A T E -Ab 232 336A 21 227,-2.4 227,-2.4 -2,-0.4 2,-0.4 -0.941 39.2-132.9-147.6 166.0 -91.5 111.2 57.4 6 6 A T E -Ab 231 337A 5 330,-1.7 332,-3.1 -2,-0.3 2,-0.6 -0.981 22.8-148.0-118.2 132.1 -90.7 108.4 55.0 7 7 A K E -Ab 230 338A 40 223,-2.7 223,-1.6 -2,-0.4 2,-0.6 -0.925 11.6-160.3-102.5 121.3 -91.8 109.0 51.4 8 8 A I E -Ab 229 339A 0 330,-3.1 332,-2.6 -2,-0.6 2,-1.1 -0.904 7.0-149.8-107.6 112.7 -92.7 105.7 49.7 9 9 A D > - 0 0 41 219,-2.9 4,-1.5 -2,-0.6 3,-0.3 -0.670 14.6-178.3 -83.6 98.8 -92.7 105.8 45.9 10 10 A L H > S+ 0 0 39 330,-1.8 4,-2.2 -2,-1.1 -1,-0.2 0.824 82.0 57.9 -66.2 -32.3 -95.3 103.2 44.8 11 11 A D H > S+ 0 0 126 329,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.851 103.8 53.4 -66.1 -33.8 -94.6 103.9 41.1 12 12 A A H > S+ 0 0 4 -3,-0.3 4,-2.9 2,-0.2 214,-0.3 0.910 108.8 49.2 -65.8 -41.5 -91.0 102.9 41.7 13 13 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.889 109.1 51.2 -66.0 -38.0 -92.2 99.7 43.3 14 14 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 112.5 48.8 -62.6 -42.0 -94.4 98.9 40.3 15 15 A H H X S+ 0 0 53 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.932 109.7 49.5 -61.9 -49.4 -91.4 99.6 38.2 16 16 A N H X S+ 0 0 0 -4,-2.9 4,-2.7 196,-0.2 -1,-0.2 0.867 109.8 53.4 -60.1 -36.0 -89.1 97.3 40.2 17 17 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.947 108.3 48.2 -64.2 -48.8 -91.8 94.6 40.0 18 18 A R H X S+ 0 0 112 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.910 112.8 49.8 -57.1 -44.5 -92.0 94.8 36.2 19 19 A V H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.961 114.3 43.0 -58.5 -55.0 -88.2 94.7 36.0 20 20 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.829 110.5 57.2 -61.8 -33.6 -87.9 91.7 38.3 21 21 A K H X S+ 0 0 67 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.877 108.6 47.0 -65.7 -37.4 -90.9 90.0 36.5 22 22 A Q H >< S+ 0 0 156 -4,-1.9 3,-1.2 -3,-0.3 -2,-0.2 0.944 111.0 49.6 -68.1 -50.2 -89.0 90.3 33.2 23 23 A M H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.712 104.0 62.9 -61.7 -22.4 -85.7 88.9 34.6 24 24 A A H >< S+ 0 0 2 -4,-1.2 3,-2.1 1,-0.2 -1,-0.3 0.732 77.7 174.9 -77.4 -22.4 -87.7 86.0 36.1 25 25 A G T << S- 0 0 46 -3,-1.2 -1,-0.2 -4,-0.6 4,-0.1 -0.304 70.4 -8.3 56.1-124.6 -88.8 84.7 32.7 26 26 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.637 114.3 101.8 -79.1 -14.8 -90.7 81.4 33.1 27 27 A A S < S- 0 0 8 -3,-2.1 178,-0.3 1,-0.1 177,-0.1 -0.457 82.4-107.3 -73.3 141.7 -89.8 81.2 36.8 28 28 A K E -f 205 0B 51 176,-3.1 178,-2.8 -2,-0.2 2,-0.7 -0.388 27.3-134.9 -67.8 143.4 -92.4 82.1 39.3 29 29 A L E -f 206 0B 0 24,-0.3 26,-2.6 176,-0.2 27,-1.8 -0.889 21.4-176.5-106.8 107.6 -91.9 85.5 41.1 30 30 A M E -g 56 0C 0 176,-2.5 2,-0.4 -2,-0.7 27,-0.3 -0.917 16.0-149.2-103.3 114.7 -92.5 85.3 44.9 31 31 A A E -g 57 0C 0 25,-2.5 27,-2.6 -2,-0.6 2,-0.7 -0.724 7.6-138.3 -87.0 129.8 -92.1 88.8 46.4 32 32 A V E +g 58 0C 6 176,-2.6 27,-0.2 -2,-0.4 180,-0.1 -0.791 32.9 162.0 -90.1 117.9 -90.8 88.9 50.0 33 33 A V > + 0 0 3 25,-2.0 4,-2.0 -2,-0.7 3,-0.2 -0.054 21.9 139.5-126.7 30.1 -92.8 91.5 51.9 34 34 A K H > + 0 0 21 24,-0.5 4,-2.6 2,-0.2 5,-0.2 -0.135 56.8 42.3 -66.4 169.9 -92.1 90.4 55.5 35 35 A A H > S- 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 143.7 -53.3 55.1 45.4 -91.4 93.1 58.2 36 36 A N H >>S- 0 0 53 -3,-0.2 5,-2.2 2,-0.2 4,-0.6 0.906 109.6 -49.2 57.2 44.6 -94.2 95.3 56.9 37 37 A A H ><5S- 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.962 109.8 -50.3 59.3 54.3 -92.7 95.1 53.4 38 38 A Y H 3<5S- 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.901 107.6 -55.8 50.1 44.1 -89.3 96.0 54.7 39 39 A N H 3<5S+ 0 0 25 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.632 117.7 112.2 67.0 15.7 -90.9 99.0 56.5 40 40 A H T <<5S- 0 0 0 -3,-1.9 -3,-0.2 -4,-0.6 -2,-0.1 0.520 93.5 -92.7 -94.7 -6.0 -92.4 100.3 53.3 41 41 A G >>< - 0 0 2 -5,-2.2 4,-2.8 -6,-0.2 3,-1.5 0.871 32.8-154.2 93.3 83.6 -96.0 99.6 54.3 42 42 A V H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 -5,-0.1 0.776 88.6 68.2 -59.8 -30.1 -97.3 96.2 53.1 43 43 A E H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.792 117.9 24.2 -63.4 -25.1 -100.9 97.3 53.0 44 44 A K H <> S+ 0 0 109 -3,-1.5 4,-1.1 2,-0.1 -2,-0.2 0.725 125.1 52.1-105.4 -34.6 -100.1 99.6 50.1 45 45 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -3,-0.2 0.923 103.4 52.9 -71.1 -47.8 -97.0 97.9 48.8 46 46 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.901 106.4 53.0 -58.6 -44.4 -98.3 94.3 48.4 47 47 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.905 109.5 49.7 -60.3 -37.4 -101.3 95.2 46.3 48 48 A V H X S+ 0 0 29 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.917 111.8 48.1 -65.6 -42.6 -99.0 97.2 43.8 49 49 A I H ><>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-0.9 0.911 112.4 48.5 -64.2 -43.0 -96.7 94.2 43.5 50 50 A A H ><5S+ 0 0 19 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.884 107.6 55.9 -64.5 -37.9 -99.5 91.8 42.9 51 51 A A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.626 109.0 49.7 -70.5 -12.6 -101.0 94.1 40.3 52 52 A H T <<5S- 0 0 67 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.135 130.8 -69.0-116.0 21.5 -97.7 94.0 38.4 53 53 A G T < 5S+ 0 0 22 -3,-1.2 -24,-0.3 1,-0.3 -3,-0.2 0.258 71.0 148.7 121.9 -19.6 -96.9 90.4 38.1 54 54 A A < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.2 -24,-0.2 -0.270 27.3-163.9 -54.8 132.0 -95.9 88.8 41.4 55 55 A D - 0 0 60 -26,-2.6 21,-1.0 1,-0.2 2,-0.3 0.684 69.5 -4.8 -89.2 -21.9 -97.0 85.1 41.4 56 56 A A E -gh 30 76C 0 -27,-1.8 -25,-2.5 19,-0.2 2,-0.3 -0.945 64.0-127.1-159.7 174.0 -96.7 84.7 45.1 57 57 A F E -gh 31 77C 0 19,-2.0 21,-2.5 -27,-0.3 2,-0.4 -0.989 13.1-154.5-134.6 142.2 -95.6 86.4 48.4 58 58 A G E +gh 32 78C 0 -27,-2.6 -25,-2.0 -2,-0.3 -24,-0.5 -0.970 19.5 164.6-121.3 132.1 -93.3 85.3 51.1 59 59 A V E - h 0 79C 1 19,-2.5 21,-1.3 -2,-0.4 22,-0.2 -0.879 36.3-127.5-136.0 168.4 -93.4 86.5 54.7 60 60 A A S S+ 0 0 0 -2,-0.3 21,-3.4 19,-0.2 20,-0.3 0.958 80.3 41.8 -84.1 -55.6 -91.9 85.4 58.0 61 61 A T S > S- 0 0 24 19,-0.2 4,-2.2 18,-0.1 21,-0.2 -0.512 72.8-120.8-102.9 163.9 -94.8 85.0 60.4 62 62 A L H > S+ 0 0 12 19,-0.5 4,-3.3 1,-0.2 5,-0.2 0.912 114.9 54.3 -59.9 -44.7 -98.4 83.7 60.5 63 63 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 108.7 47.7 -59.0 -42.3 -99.6 87.2 61.5 64 64 A E H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 113.3 49.3 -65.7 -39.3 -97.9 88.8 58.5 65 65 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.942 110.9 48.8 -64.1 -46.8 -99.4 86.0 56.3 66 66 A M H X S+ 0 0 47 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.822 106.5 58.3 -61.7 -33.1 -102.9 86.6 57.7 67 67 A Q H X S+ 0 0 59 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.861 102.2 53.7 -66.5 -35.7 -102.4 90.3 57.1 68 68 A L H <>S+ 0 0 1 -4,-1.5 5,-2.3 -3,-0.4 3,-0.4 0.936 109.6 47.2 -65.7 -42.1 -101.9 89.7 53.4 69 69 A R H ><5S+ 0 0 33 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.899 108.5 57.0 -63.7 -38.6 -105.2 87.8 53.3 70 70 A D H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 103.9 51.3 -63.3 -30.3 -106.9 90.6 55.2 71 71 A I T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.498 125.1-102.4 -86.6 -1.1 -105.9 93.2 52.6 72 72 A G T < 5 + 0 0 58 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.603 60.5 163.6 96.0 10.2 -107.3 91.0 49.9 73 73 A I < - 0 0 9 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.0 -0.490 13.3-176.4 -63.8 126.0 -104.1 89.5 48.4 74 74 A S + 0 0 101 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.568 46.1 102.9-100.7 -13.9 -105.3 86.5 46.4 75 75 A Q S S- 0 0 49 1,-0.2 -19,-0.2 -19,-0.1 -20,-0.1 -0.140 87.4 -75.9 -67.7 167.0 -101.9 85.1 45.3 76 76 A E E -h 56 0C 36 -21,-1.0 -19,-2.0 20,-0.1 2,-0.4 -0.331 51.9-158.8 -59.1 140.6 -100.1 82.1 46.8 77 77 A V E -h 57 0C 0 18,-0.5 20,-3.1 -21,-0.2 2,-0.4 -0.993 9.2-165.2-132.8 131.4 -98.6 83.0 50.2 78 78 A L E -hi 58 97C 1 -21,-2.5 -19,-2.5 -2,-0.4 2,-0.4 -0.939 1.2-169.5-117.6 138.4 -95.7 81.2 52.1 79 79 A C E +hi 59 98C 0 18,-1.9 20,-1.8 -2,-0.4 -19,-0.2 -0.990 7.9 175.3-125.6 129.0 -94.9 81.7 55.8 80 80 A W + 0 0 21 -21,-1.3 2,-0.5 -2,-0.4 -19,-0.2 0.441 59.3 67.6-119.7 1.8 -91.6 80.3 57.2 81 81 A I + 0 0 7 -21,-3.4 -19,-0.5 -22,-0.2 2,-0.3 -0.845 68.1 108.4-126.5 97.6 -91.3 81.3 60.9 82 82 A W - 0 0 0 -2,-0.5 19,-0.1 -21,-0.2 23,-0.0 -0.957 48.7-135.4-156.1 166.5 -93.9 79.7 63.1 83 83 A T > - 0 0 4 -2,-0.3 3,-2.1 1,-0.0 5,-0.3 -0.945 29.1-112.3-131.3 154.3 -94.2 77.1 65.9 84 84 A P T 3 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.658 113.2 66.1 -56.4 -17.8 -96.7 74.3 66.5 85 85 A E T 3 S+ 0 0 117 2,-0.1 2,-0.1 3,-0.0 558,-0.0 0.690 88.6 80.7 -80.0 -19.2 -97.9 76.2 69.6 86 86 A Q S < S- 0 0 21 -3,-2.1 2,-2.2 1,-0.1 3,-0.3 -0.399 100.3 -97.4 -83.0 165.5 -99.4 79.0 67.5 87 87 A D >> + 0 0 109 1,-0.2 3,-0.8 255,-0.1 4,-0.5 -0.412 61.4 151.6 -81.2 64.9 -102.7 78.9 65.8 88 88 A F H >> + 0 0 17 -2,-2.2 4,-1.9 -5,-0.3 3,-0.6 0.721 62.5 72.8 -68.4 -19.5 -101.2 77.8 62.4 89 89 A R H 3> S+ 0 0 85 -3,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.904 91.2 56.2 -61.2 -39.2 -104.5 76.1 61.7 90 90 A A H <4 S+ 0 0 27 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.780 107.3 49.9 -63.0 -26.0 -106.2 79.5 61.2 91 91 A A H X<>S+ 0 0 1 -3,-0.6 5,-1.5 -4,-0.5 3,-1.0 0.846 107.8 52.0 -80.3 -36.5 -103.5 80.2 58.6 92 92 A I H ><5S+ 0 0 19 -4,-1.9 3,-1.7 1,-0.3 -2,-0.2 0.879 104.3 57.9 -65.5 -37.6 -104.2 76.9 56.8 93 93 A D T 3<5S+ 0 0 105 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.597 105.5 51.3 -69.5 -9.1 -107.9 77.7 56.7 94 94 A R T < 5S- 0 0 94 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.057 121.9-104.4-114.5 24.0 -106.9 80.9 54.8 95 95 A N T < 5 + 0 0 100 -3,-1.7 2,-0.6 1,-0.2 -18,-0.5 0.917 65.8 154.9 56.0 51.1 -104.8 79.1 52.2 96 96 A I < - 0 0 5 -5,-1.5 -1,-0.2 -20,-0.1 -18,-0.2 -0.945 41.9-127.9-111.2 120.9 -101.4 80.1 53.6 97 97 A D E -i 78 0C 1 -20,-3.1 -18,-1.9 -2,-0.6 2,-0.4 -0.403 22.7-148.3 -65.2 140.1 -98.5 77.8 52.7 98 98 A L E -ij 79 119C 0 20,-2.0 22,-2.0 -20,-0.2 2,-0.4 -0.930 5.4-134.7-115.9 138.2 -96.5 76.6 55.7 99 99 A A E - j 0 120C 0 -20,-1.8 2,-0.9 -2,-0.4 22,-0.2 -0.723 12.8-136.3 -89.9 135.9 -92.8 75.8 55.7 100 100 A V E + j 0 121C 0 20,-3.0 22,-2.1 -2,-0.4 32,-0.5 -0.845 32.8 167.4 -91.1 106.8 -91.7 72.6 57.5 101 101 A I + 0 0 2 -2,-0.9 30,-1.4 30,-0.2 -1,-0.1 0.365 61.1 6.5-104.8 3.8 -88.6 73.9 59.4 102 102 A S S >> S- 0 0 14 28,-0.1 4,-1.6 30,-0.1 3,-0.5 -0.955 81.9 -95.7-170.9 164.4 -88.0 70.9 61.7 103 103 A P H 3> S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.874 121.8 57.7 -58.2 -37.1 -89.3 67.4 62.4 104 104 A A H 3> S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.848 104.3 51.1 -63.8 -34.5 -91.7 68.7 65.1 105 105 A H H <> S+ 0 0 2 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.876 109.7 50.2 -69.1 -38.2 -93.3 71.1 62.6 106 106 A A H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.905 110.6 50.8 -64.7 -41.2 -93.8 68.2 60.2 107 107 A K H X S+ 0 0 120 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.937 108.0 51.0 -61.6 -49.6 -95.4 66.2 63.0 108 108 A A H < S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.896 113.2 45.9 -56.4 -42.9 -97.8 69.0 64.0 109 109 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 5,-0.3 0.908 110.5 52.3 -68.4 -42.6 -99.0 69.3 60.4 110 110 A I H 3< S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 112.4 46.5 -62.1 -34.3 -99.3 65.5 59.9 111 111 A E T 3< S+ 0 0 129 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.423 88.0 112.1 -88.0 0.2 -101.5 65.4 63.1 112 112 A T S < S- 0 0 18 -3,-1.3 2,-2.5 -4,-0.2 -3,-0.0 -0.657 70.9-133.7 -80.8 124.6 -103.5 68.4 61.9 113 113 A D + 0 0 150 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.312 62.6 124.1 -74.6 56.9 -107.1 67.4 61.1 114 114 A A - 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