==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-13 4MUS . COMPND 2 MOLECULE: D,D-DIPEPTIDASE/D,D-CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS GALLINARUM; . AUTHOR P.J.STOGIOS,E.EVDOKIMOVA,D.MEZIANE-CHERIF,R.DI LEO,V.YIM,P.C . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 10.1 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 . 3 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 . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 2 0 0 2 1 2 0 0 1 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 0 144 0, 0.0 2,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 99.8 20.7 9.3 55.7 2 2 A N > - 0 0 92 1,-0.2 3,-1.3 2,-0.0 0, 0.0 -0.741 360.0-169.0 -88.2 110.2 19.1 6.5 57.8 3 3 A T T 3 S+ 0 0 34 -2,-0.8 -1,-0.2 1,-0.2 158,-0.0 0.642 89.7 55.5 -70.4 -13.0 21.7 4.0 58.9 4 4 A L T 3 S+ 0 0 21 2,-0.1 -1,-0.2 -3,-0.0 175,-0.1 0.465 75.1 142.3 -97.2 -0.1 18.8 1.8 60.0 5 5 A Q < - 0 0 42 -3,-1.3 2,-0.6 1,-0.1 170,-0.0 -0.103 48.1-135.8 -47.1 124.5 17.1 1.7 56.6 6 6 A L + 0 0 25 6,-0.1 2,-0.5 169,-0.1 -1,-0.1 -0.776 27.3 178.2 -87.5 119.3 15.7 -1.8 56.0 7 7 A I + 0 0 1 -2,-0.6 2,-0.3 85,-0.1 87,-0.2 -0.975 23.4 115.5-125.6 114.9 16.4 -2.9 52.4 8 8 A N B > S-A 11 0A 14 3,-1.2 3,-1.1 -2,-0.5 85,-0.1 -0.886 79.7 -66.7-158.1-171.5 15.3 -6.4 51.3 9 9 A K T 3 S+ 0 0 135 139,-0.3 140,-0.1 1,-0.3 84,-0.1 0.848 133.9 43.8 -57.8 -34.7 13.0 -8.0 48.8 10 10 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.3 82,-0.1 82,-0.0 0.600 121.4 40.9 -85.5 -13.2 9.9 -6.6 50.6 11 11 A H B < S+A 8 0A 98 -3,-1.1 -3,-1.2 81,-0.1 -1,-0.3 -0.650 79.7 176.4-133.5 75.3 11.4 -3.2 51.1 12 12 A P - 0 0 74 0, 0.0 80,-0.2 0, 0.0 2,-0.1 -0.295 37.6 -88.1 -78.2 167.8 13.3 -2.2 47.9 13 13 A L - 0 0 27 78,-3.2 2,-0.2 1,-0.1 -6,-0.0 -0.425 38.1-119.2 -68.9 146.7 15.0 1.1 47.3 14 14 A K > - 0 0 141 -2,-0.1 3,-0.9 1,-0.1 -1,-0.1 -0.579 16.4-129.7 -77.5 151.7 13.0 4.0 45.9 15 15 A K T 3 S+ 0 0 190 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.572 109.8 56.1 -82.0 -7.9 14.3 5.3 42.6 16 16 A N T 3 S+ 0 0 133 2,-0.1 -1,-0.2 3,-0.0 2,-0.2 0.390 78.3 123.6-100.8 0.8 14.3 8.8 44.0 17 17 A Q S < S- 0 0 65 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.461 72.9-109.2 -62.8 126.0 16.5 7.8 46.9 18 18 A E - 0 0 154 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.362 31.7-114.7 -57.0 126.2 19.6 10.0 47.0 19 19 A P - 0 0 83 0, 0.0 78,-0.1 0, 0.0 -1,-0.1 -0.447 44.3-102.3 -58.9 137.5 22.7 8.1 45.9 20 20 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 78,-0.1 -0.229 28.8-106.9 -63.8 150.7 25.0 7.9 49.0 21 21 A H - 0 0 130 76,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.504 48.0-155.4 -63.4 148.2 28.0 10.1 49.4 22 22 A L - 0 0 11 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.936 23.2-176.5-134.4 152.9 31.1 7.9 48.9 23 23 A V E -B 34 0B 48 11,-2.0 11,-2.3 -2,-0.3 2,-0.4 -0.958 40.7 -99.0-137.9 158.4 34.7 7.7 49.8 24 24 A L E -B 33 0B 9 234,-0.4 9,-0.2 -2,-0.3 7,-0.1 -0.640 44.6-136.1 -74.0 128.6 37.4 5.2 48.8 25 25 A A - 0 0 0 7,-3.4 7,-0.5 -2,-0.4 3,-0.2 -0.721 11.8-129.2 -95.1 142.8 37.7 2.7 51.6 26 26 A P S S+ 0 0 13 0, 0.0 31,-0.1 0, 0.0 3,-0.1 -0.187 78.2 52.1 -77.4 173.9 41.1 1.5 53.0 27 27 A F S S+ 0 0 48 1,-0.3 30,-2.5 29,-0.1 2,-0.3 0.861 83.5 108.4 65.0 43.3 42.3 -2.1 53.6 28 28 A S - 0 0 16 28,-0.2 274,-0.3 -3,-0.2 -1,-0.3 -0.940 67.2-137.5-137.0 163.5 41.5 -3.4 50.1 29 29 A D S S+ 0 0 13 28,-0.4 2,-0.3 -2,-0.3 29,-0.1 0.225 92.5 34.0-101.7 10.4 43.6 -4.5 47.2 30 30 A H S S- 0 0 3 27,-0.3 2,-0.7 275,-0.0 272,-0.2 -0.920 105.3 -70.7-149.5 176.3 41.2 -2.8 44.8 31 31 A D + 0 0 24 216,-0.3 2,-0.4 -2,-0.3 -2,-0.1 -0.636 53.5 170.9 -81.5 116.3 39.0 0.3 44.7 32 32 A V - 0 0 4 -2,-0.7 -7,-3.4 -7,-0.5 2,-0.4 -0.980 16.0-153.7-122.7 138.8 36.1 -0.1 47.0 33 33 A Y E +B 24 0B 5 -2,-0.4 28,-3.1 28,-0.3 2,-0.3 -0.890 17.2 166.9-120.6 144.4 33.7 2.7 47.9 34 34 A L E -B 23 0B 0 -11,-2.3 -11,-2.0 -2,-0.4 65,-0.2 -0.941 47.9 -79.6-145.2 160.5 31.5 3.2 51.0 35 35 A Q > - 0 0 14 63,-2.3 4,-2.3 -2,-0.3 3,-0.4 -0.442 55.2-112.3 -58.8 143.5 29.5 5.9 52.8 36 36 A P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.839 114.8 49.0 -54.3 -39.7 32.1 8.0 54.6 37 37 A E H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 111.0 51.7 -70.8 -32.9 31.0 7.0 58.1 38 38 A V H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.923 110.1 48.2 -66.3 -43.8 31.1 3.3 57.2 39 39 A A H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.903 111.2 51.1 -62.6 -41.7 34.6 3.6 55.8 40 40 A K H X S+ 0 0 114 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.892 113.9 43.0 -63.0 -41.1 35.8 5.5 58.9 41 41 A Q H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.858 111.0 54.7 -79.2 -34.3 34.4 2.8 61.2 42 42 A W H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.939 110.6 47.5 -56.5 -47.8 35.6 -0.0 59.1 43 43 A E H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 111.0 50.3 -63.2 -42.1 39.1 1.5 59.3 44 44 A R H X S+ 0 0 123 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.902 111.7 49.7 -61.1 -41.1 38.8 1.9 63.1 45 45 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.921 111.0 46.7 -64.3 -49.7 37.7 -1.7 63.4 46 46 A V H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.7 0.928 115.9 46.0 -60.7 -46.8 40.5 -3.2 61.3 47 47 A R H ><5S+ 0 0 132 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.910 112.6 49.4 -63.2 -42.6 43.1 -1.1 63.2 48 48 A A H 3<5S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 115.2 43.0 -71.1 -29.5 41.7 -1.8 66.6 49 49 A T H 3<5S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.534 104.5-131.5 -88.5 -7.7 41.6 -5.6 66.0 50 50 A G T <<5 + 0 0 44 -4,-0.7 3,-0.3 -3,-0.5 -3,-0.2 0.868 62.9 137.7 58.2 39.7 45.0 -5.4 64.4 51 51 A L >>< + 0 0 5 -5,-1.9 4,-2.0 -6,-0.2 3,-1.7 0.141 20.6 119.5-101.4 17.7 43.7 -7.5 61.5 52 52 A E T 34 S+ 0 0 65 -6,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.832 81.4 39.6 -52.5 -39.6 45.4 -5.4 58.7 53 53 A K T 34 S+ 0 0 159 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.482 118.3 48.5 -88.1 -2.3 47.3 -8.4 57.5 54 54 A D T <4 S+ 0 0 74 -3,-1.7 52,-2.0 1,-0.1 53,-0.4 0.701 108.0 35.8-116.4 -27.1 44.5 -10.9 57.8 55 55 A I E < -C 105 0C 2 -4,-2.0 2,-0.3 50,-0.3 50,-0.2 -0.857 56.8-167.5-131.0 164.7 41.4 -9.5 56.3 56 56 A R E -C 104 0C 13 48,-2.2 48,-2.5 -2,-0.3 2,-0.5 -0.993 30.7-107.0-150.7 151.4 40.4 -7.3 53.4 57 57 A L E +C 103 0C 0 -30,-2.5 -28,-0.4 -2,-0.3 -27,-0.3 -0.715 35.2 176.2 -81.1 123.4 37.5 -5.4 52.0 58 58 A V E + 0 0 2 44,-3.3 2,-0.3 -2,-0.5 162,-0.3 0.835 60.4 6.5 -98.4 -41.0 36.1 -7.3 49.1 59 59 A S E +C 102 0C 3 43,-1.3 43,-2.3 160,-0.1 -1,-0.3 -0.997 57.9 151.5-149.0 147.9 33.0 -5.4 48.0 60 60 A G + 0 0 3 1,-0.4 -26,-0.2 -2,-0.3 38,-0.2 -0.063 57.7 20.0-139.1-119.0 31.3 -2.1 49.0 61 61 A Y + 0 0 35 -28,-3.1 -1,-0.4 37,-0.2 2,-0.3 -0.382 57.8 178.3 -67.0 139.9 29.1 0.2 47.0 62 62 A R - 0 0 16 33,-1.4 36,-0.2 31,-0.1 2,-0.1 -0.993 25.0-127.7-135.8 138.0 27.3 -1.1 43.8 63 63 A T > - 0 0 26 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.378 32.2-108.1 -73.3 165.4 25.0 0.8 41.6 64 64 A E H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 123.3 54.4 -60.0 -40.6 21.6 -0.8 40.8 65 65 A K H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 109.5 46.9 -58.7 -45.3 23.0 -1.4 37.3 66 66 A E H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.919 109.2 53.0 -64.5 -43.3 25.9 -3.2 38.7 67 67 A Q H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.908 109.1 51.5 -58.4 -40.9 23.7 -5.2 41.1 68 68 A R H X S+ 0 0 83 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.914 109.0 48.9 -63.1 -41.3 21.7 -6.3 38.0 69 69 A R H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 144,-0.4 0.900 112.4 49.4 -63.4 -38.1 24.9 -7.4 36.2 70 70 A L H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.957 112.7 47.2 -62.0 -49.1 25.9 -9.4 39.3 71 71 A W H X S+ 0 0 38 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.934 113.7 47.2 -55.5 -51.1 22.5 -11.0 39.5 72 72 A E H X S+ 0 0 96 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.851 111.7 51.2 -64.5 -36.7 22.4 -11.8 35.8 73 73 A Y H X S+ 0 0 52 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.943 112.7 44.3 -63.8 -49.3 25.9 -13.3 35.9 74 74 A S H X>S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.8 0.891 111.6 54.0 -65.5 -37.7 25.2 -15.5 38.8 75 75 A L H X5S+ 0 0 70 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.941 115.2 40.8 -59.2 -43.8 21.9 -16.6 37.3 76 76 A K H <5S+ 0 0 183 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.917 126.5 31.8 -70.8 -45.0 23.7 -17.6 34.1 77 77 A E H <5S+ 0 0 124 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.845 134.5 22.8 -84.8 -37.3 26.7 -19.2 35.8 78 78 A N H X5S- 0 0 66 -4,-3.1 4,-0.6 -5,-0.3 -3,-0.2 0.497 104.5-117.7-114.5 -9.6 25.3 -20.6 39.0 79 79 A G H X< - 0 0 30 -4,-1.1 4,-2.0 -5,-0.8 -1,-0.2 0.029 33.4 -74.3 89.0 162.5 21.6 -21.0 38.3 80 80 A L H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 124.0 57.9 -62.7 -39.6 18.5 -19.4 39.8 81 81 A A H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.949 111.8 39.0 -59.2 -52.8 18.6 -21.5 43.0 82 82 A Y H X S+ 0 0 61 -4,-0.6 4,-1.8 1,-0.2 5,-0.2 0.907 116.4 52.9 -63.3 -42.9 22.0 -20.4 44.1 83 83 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.905 107.3 49.2 -65.1 -42.8 21.4 -16.8 42.9 84 84 A K H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.1 51.5 -63.3 -32.9 18.2 -16.4 44.9 85 85 A Q H < S+ 0 0 79 -4,-1.5 66,-2.7 -5,-0.2 -1,-0.2 0.833 126.6 16.6 -68.2 -39.1 20.0 -17.7 47.9 86 86 A F H < S+ 0 0 39 -4,-1.8 2,-0.5 64,-0.2 -2,-0.2 0.524 111.9 67.1-122.9 -10.0 23.0 -15.5 47.8 87 87 A V S < S- 0 0 5 -4,-2.7 2,-0.1 -5,-0.2 -1,-0.1 -0.969 70.2-133.2-121.8 130.2 22.4 -12.5 45.6 88 88 A A - 0 0 15 -2,-0.5 5,-0.2 1,-0.1 -17,-0.1 -0.472 31.5-103.6 -76.5 146.8 19.9 -9.7 46.3 89 89 A L > - 0 0 56 3,-0.2 3,-2.7 -2,-0.1 4,-0.2 -0.410 49.9 -87.6 -60.3 144.2 17.6 -8.6 43.6 90 90 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 -0.367 122.5 28.4 -53.1 131.6 18.5 -5.3 42.0 91 91 A G T 3 S+ 0 0 8 2,-0.1 -78,-3.2 -3,-0.1 -83,-0.1 0.158 113.2 71.8 97.7 -13.8 16.9 -2.6 44.1 92 92 A C < + 0 0 12 -3,-2.7 2,-0.5 -80,-0.2 -3,-0.2 0.205 69.7 106.9-119.5 11.3 17.1 -4.8 47.2 93 93 A S > - 0 0 4 -5,-0.2 3,-1.6 -4,-0.2 4,-0.2 -0.828 59.4-148.6 -98.1 131.5 20.8 -4.8 48.0 94 94 A E G > >S+ 0 0 0 -2,-0.5 3,-1.6 1,-0.3 5,-1.2 0.739 97.5 73.3 -60.2 -24.5 22.3 -3.0 50.9 95 95 A H G > 5S+ 0 0 3 1,-0.3 -33,-1.4 2,-0.2 3,-1.0 0.807 83.7 68.3 -62.0 -23.0 25.4 -2.6 48.7 96 96 A Q G < 5S+ 0 0 16 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.636 102.0 43.8 -75.1 -10.9 23.4 0.0 46.7 97 97 A I G < 5S- 0 0 5 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.345 111.2-116.9-113.5 5.3 23.4 2.5 49.6 98 98 A G T < 5S+ 0 0 0 -3,-1.0 -63,-2.3 -4,-0.4 -37,-0.2 0.697 87.0 108.6 75.0 19.0 27.0 2.0 50.6 99 99 A L < + 0 0 0 -5,-1.2 60,-3.1 -65,-0.2 2,-0.4 0.334 59.6 83.2-107.0 3.0 26.3 0.6 54.0 100 100 A A E - D 0 158C 0 -6,-0.5 2,-0.4 58,-0.2 58,-0.2 -0.884 53.8-170.5-111.3 140.5 27.3 -3.0 53.3 101 101 A I E - D 0 157C 0 56,-2.8 56,-3.0 -2,-0.4 2,-0.5 -0.986 12.7-152.7-123.5 138.4 30.8 -4.5 53.3 102 102 A D E -CD 59 156C 7 -43,-2.3 -44,-3.3 -2,-0.4 -43,-1.3 -0.965 22.1-162.3-101.4 128.4 31.9 -7.9 52.1 103 103 A V E +C 57 0C 0 52,-2.9 2,-0.3 -2,-0.5 -46,-0.2 -0.875 10.5 179.1-114.2 142.7 34.9 -9.0 54.0 104 104 A G E -C 56 0C 0 -48,-2.5 -48,-2.2 -2,-0.4 2,-0.3 -0.870 32.8 -98.7-134.7 167.7 37.4 -11.8 53.0 105 105 A L E -C 55 0C 14 12,-1.4 3,-0.3 -2,-0.3 -50,-0.3 -0.654 25.5-137.1 -85.4 146.7 40.6 -13.4 54.3 106 106 A K S S+ 0 0 37 -52,-2.0 2,-0.5 -2,-0.3 -51,-0.1 0.648 96.0 60.2 -82.0 -14.3 43.8 -12.2 52.7 107 107 A K S S+ 0 0 110 -53,-0.4 2,-0.5 191,-0.1 -1,-0.2 -0.505 79.8 135.0-110.5 62.8 45.4 -15.7 52.4 108 108 A Q + 0 0 73 -2,-0.5 2,-0.2 -3,-0.3 3,-0.1 -0.941 32.5 178.0-125.6 119.4 42.8 -17.3 50.1 109 109 A E S S+ 0 0 168 -2,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.539 81.6 43.4 -86.8 171.9 42.9 -19.5 47.1 110 110 A D S S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.034 78.6 168.5 86.8 -21.3 39.4 -20.5 45.9 111 111 A D - 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0 0 19 0, 0.0 3,-1.3 0, 0.0 7,-0.1 -0.177 33.9-105.9 -70.4 165.6 54.2 2.5 28.2 331 142 B E T 3 S+ 0 0 113 1,-0.3 3,-0.4 2,-0.1 10,-0.2 0.784 113.1 42.3 -69.1 -29.7 57.4 3.5 29.9 332 143 B D T 3 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.080 102.0 71.4-106.9 30.0 58.8 5.9 27.3 333 144 B K X> + 0 0 32 -3,-1.3 4,-2.8 6,-0.1 3,-1.1 0.172 50.7 116.9-130.1 16.1 55.6 7.7 26.5 334 145 B Q H 3> S+ 0 0 72 -3,-0.4 4,-1.9 1,-0.3 5,-0.1 0.818 77.7 54.8 -65.0 -29.2 54.8 9.9 29.5 335 146 B E H 34 S+ 0 0 187 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.760 115.0 41.5 -72.6 -23.0 55.1 13.2 27.6 336 147 B I H <4 S+ 0 0 75 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.2 0.892 124.6 32.6 -88.3 -45.7 52.6 11.8 25.1 337 148 B T H < S- 0 0 9 -4,-2.8 -139,-0.3 2,-0.2 -3,-0.2 0.711 93.1-135.2 -85.0 -21.1 50.1 10.2 27.4 338 149 B G S < S+ 0 0 56 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.1 0.589 76.2 98.5 72.0 11.2 50.5 12.6 30.3 339 150 B I S S- 0 0 19 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.962 75.8-115.5-130.5 144.4 50.5 9.5 32.5 340 151 B S - 0 0 10 -66,-2.6 2,-0.1 -2,-0.3 -8,-0.1 -0.208 55.0 -65.1 -72.4 169.0 53.5 7.6 34.0 341 152 B Y - 0 0 49 -10,-0.2 -1,-0.2 1,-0.1 -10,-0.1 -0.362 52.5-177.4 -56.0 125.3 54.4 4.1 33.1 342 153 B E > - 0 0 6 -13,-2.3 3,-1.6 3,-0.1 -13,-0.5 -0.803 11.7-178.0-129.7 91.3 51.7 1.6 34.2 343 154 B P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.675 83.4 54.1 -64.8 -12.5 52.5 -2.0 33.5 344 155 B W T 3 S+ 0 0 13 -39,-0.1 -52,-2.4 -53,-0.1 2,-0.6 0.500 87.1 92.3 -96.3 -10.0 49.2 -3.1 34.9 345 156 B H E < +J 291 0F 6 -3,-1.6 -17,-1.8 -54,-0.2 -16,-0.5 -0.808 49.2 177.5-103.3 118.8 46.8 -0.9 32.8 346 157 B F E -JK 290 327F 0 -56,-2.9 -56,-2.9 -2,-0.6 2,-0.4 -0.916 13.9-154.0-121.7 145.6 45.4 -2.3 29.6 347 158 B R E -JK 289 326F 0 -21,-2.5 -21,-2.4 -2,-0.4 2,-0.5 -0.955 14.6-133.5-119.5 130.9 43.0 -0.7 27.2 348 159 B Y E + K 0 325F 18 -60,-3.1 -23,-0.2 -2,-0.4 -24,-0.1 -0.721 38.9 151.0 -82.6 125.3 40.7 -2.6 24.9 349 160 B V - 0 0 0 -25,-3.0 4,-0.2 -2,-0.5 -24,-0.2 0.406 48.8-129.3-124.2 -10.8 40.7 -1.2 21.3 350 161 B G > - 0 0 6 -26,-1.9 4,-2.2 2,-0.1 5,-0.2 -0.063 44.3 -16.6 84.8 169.5 39.8 -4.4 19.5 351 162 B L T 4 S+ 0 0 87 1,-0.3 -29,-0.1 2,-0.2 -30,-0.0 -0.673 119.0 9.9 -89.7 150.3 41.5 -6.1 16.5 352 163 B P T >> S+ 0 0 71 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.984 120.3 66.9 -86.7 2.2 43.5 -5.3 14.4 353 164 B H H 3> S+ 0 0 48 1,-0.3 4,-3.0 -4,-0.2 5,-0.3 0.861 98.6 51.0 -52.7 -44.3 44.1 -2.1 16.2 354 165 B S H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.853 112.5 47.3 -67.5 -32.3 45.7 -3.6 19.3 355 166 B Q H <> S+ 0 0 79 -3,-0.8 4,-2.4 -34,-0.2 -1,-0.2 0.905 113.9 47.0 -72.6 -41.9 48.1 -5.5 17.1 356 167 B V H X S+ 0 0 50 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.953 115.9 45.3 -62.8 -48.3 48.9 -2.5 14.9 357 168 B I H <>S+ 0 0 1 -4,-3.0 5,-2.6 1,-0.2 4,-0.4 0.926 115.5 46.5 -61.9 -46.4 49.5 -0.3 18.0 358 169 B T H ><5S+ 0 0 45 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 0.917 109.5 52.0 -69.5 -40.4 51.6 -2.8 19.9 359 170 B A H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 114.1 44.6 -64.0 -30.4 53.8 -3.7 16.9 360 171 B Q T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.471 108.9-125.9 -87.9 -1.4 54.6 -0.0 16.4 361 172 B K T < 5 + 0 0 169 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.887 59.3 157.0 49.2 42.9 55.1 0.5 20.1 362 173 B W < - 0 0 48 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.478 42.3-130.8 -87.8 163.5 52.5 3.2 19.8 363 174 B T > - 0 0 0 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.668 33.6-107.7 -98.7 167.5 50.2 4.9 22.3 364 175 B L H > S+ 0 0 0 -36,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.887 123.1 57.7 -63.8 -35.5 46.5 5.4 21.5 365 176 B E H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 108.4 44.3 -54.2 -48.5 47.3 9.0 21.1 366 177 B E H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.849 110.4 55.9 -69.8 -33.5 49.9 8.2 18.4 367 178 B Y H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.909 107.0 49.3 -64.3 -43.7 47.4 5.8 16.8 368 179 B H H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 111.0 49.5 -62.3 -39.1 44.8 8.5 16.5 369 180 B D H X S+ 0 0 112 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.905 110.9 51.1 -67.7 -38.9 47.4 10.9 15.0 370 181 B Y H X S+ 0 0 91 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 111.0 46.2 -62.6 -46.5 48.4 8.2 12.5 371 182 B L H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.944 114.5 48.6 -64.8 -44.4 44.8 7.5 11.4 372 183 B A H X S+ 0 0 34 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.953 113.1 46.5 -56.2 -54.0 44.1 11.2 11.0 373 184 B Q H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.7 51.3 -56.2 -37.0 47.3 11.8 9.0 374 185 B T H >< S+ 0 0 60 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.888 101.8 58.7 -75.5 -38.5 46.5 8.8 6.8 375 186 B V H 3< S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 98.2 61.0 -54.6 -39.6 43.0 9.8 6.0 376 187 B R T 3< 0 0 176 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.430 360.0 360.0 -72.5 5.3 44.3 13.1 4.5 377 188 B Q < 0 0 190 -3,-2.0 -3,-0.1 0, 0.0 -4,-0.0 -0.180 360.0 360.0-102.6 360.0 46.3 10.9 2.0