==== 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 11-MAY-07 2PWD . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 1114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 730 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 52 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 6 7 3 2 1 0 2 4 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 0 PARALLEL BRIDGES PER LADDER . 10 4 0 6 2 2 0 2 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 . 6 2 0 2 0 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 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 K 0 0 118 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 151.5 -11.9 -27.2 10.0 2 2 A P - 0 0 142 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.470 360.0-146.4 -54.7 145.4 -9.4 -25.9 11.0 3 3 A G - 0 0 68 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.430 17.2 -99.3 -85.8 166.9 -11.2 -22.9 9.5 4 4 A A - 0 0 55 -2,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.620 44.3 -97.4 -86.8 148.3 -9.2 -20.0 7.9 5 5 A P >> - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.241 35.7-109.9 -59.1 153.7 -8.6 -16.8 10.0 6 6 A W H >> S+ 0 0 57 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.820 116.4 60.9 -55.2 -34.5 -11.1 -14.0 9.3 7 7 A W H 34 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.755 95.0 60.7 -69.9 -22.7 -8.3 -12.0 7.6 8 8 A K H <4 S+ 0 0 42 -3,-1.4 351,-0.2 1,-0.2 -1,-0.2 0.799 114.3 34.4 -74.7 -24.5 -7.7 -14.6 4.9 9 9 A S H << S+ 0 0 56 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.501 98.6 106.7-105.7 -2.4 -11.3 -14.3 3.6 10 10 A A < - 0 0 3 -4,-0.9 2,-0.5 37,-0.1 36,-0.1 -0.307 61.6-139.8 -76.7 156.6 -11.8 -10.6 4.3 11 11 A V - 0 0 0 34,-0.2 36,-2.4 349,-0.1 37,-1.4 -0.986 24.8-156.7-115.0 121.1 -11.9 -7.8 1.7 12 12 A F E -ab 48 362A 1 349,-2.6 351,-2.4 -2,-0.5 2,-0.4 -0.678 7.7-154.5 -99.6 154.5 -10.0 -4.8 3.0 13 13 A Y E -ab 49 363A 0 35,-2.1 37,-2.3 -2,-0.3 2,-0.6 -0.997 12.9-140.6-127.6 128.1 -10.5 -1.2 1.9 14 14 A Q E -ab 50 364A 3 349,-2.9 351,-2.1 -2,-0.4 2,-0.5 -0.812 15.6-165.2 -94.1 124.1 -7.6 1.3 2.3 15 15 A V E -a 51 0A 0 35,-2.8 37,-2.0 -2,-0.6 3,-0.1 -0.933 13.5-160.7-110.4 126.4 -8.6 4.8 3.4 16 16 A Y > - 0 0 1 -2,-0.5 3,-2.1 35,-0.2 4,-0.3 -0.875 17.1-159.3-101.5 91.8 -6.1 7.7 3.1 17 17 A P G >> S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.819 83.3 63.5 -41.7 -48.8 -7.9 9.9 5.6 18 18 A R G 34 S+ 0 0 25 1,-0.3 11,-2.9 10,-0.1 419,-0.2 0.782 117.0 29.9 -50.0 -31.7 -6.4 13.1 4.4 19 19 A S G <4 S+ 0 0 0 -3,-2.1 402,-2.5 9,-0.2 -1,-0.3 0.174 104.0 77.1-119.2 19.9 -8.2 12.6 1.1 20 20 A F T <4 S- 0 0 1 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.1 0.935 105.6 -19.4 -94.2 -64.0 -11.3 10.7 1.9 21 21 A K < - 0 0 45 -4,-0.7 9,-2.4 9,-0.2 12,-0.4 -0.899 52.3-156.7-154.6 120.0 -13.9 13.1 3.4 22 22 A D + 0 0 6 409,-2.2 7,-0.2 7,-0.3 54,-0.0 -0.767 10.9 177.7 -94.8 137.2 -13.5 16.5 5.0 23 23 A T S S+ 0 0 68 -2,-0.4 -1,-0.1 5,-0.4 6,-0.1 0.381 74.7 47.4-120.5 2.3 -16.2 17.7 7.4 24 24 A N S S- 0 0 106 4,-0.3 408,-0.1 0, 0.0 -1,-0.1 0.212 102.2-113.8-129.4 17.1 -15.0 21.1 8.6 25 25 A G S S+ 0 0 23 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.588 80.8 119.6 65.6 13.0 -14.0 22.8 5.3 26 26 A D S S- 0 0 70 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.487 85.5-114.2 -86.9 1.7 -10.3 23.0 6.0 27 27 A G S S+ 0 0 0 1,-0.2 410,-2.4 409,-0.1 2,-0.4 0.536 83.9 107.2 81.8 6.8 -9.8 20.9 2.8 28 28 A I S S- 0 0 24 408,-0.2 -5,-0.4 409,-0.1 -4,-0.3 -0.971 71.2-119.3-122.4 131.7 -8.3 17.9 4.7 29 29 A G - 0 0 0 -11,-2.9 -7,-0.3 -2,-0.4 2,-0.3 -0.207 38.5-175.5 -61.2 158.2 -10.2 14.7 5.3 30 30 A D > - 0 0 8 -9,-2.4 4,-2.0 1,-0.1 -9,-0.2 -0.878 40.0 -91.2-149.8 177.1 -10.8 13.7 8.8 31 31 A F H > S+ 0 0 1 45,-2.8 4,-2.8 -2,-0.3 5,-0.2 0.892 120.7 54.3 -62.6 -43.2 -12.2 11.1 11.2 32 32 A K H > S+ 0 0 104 44,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.906 108.2 52.2 -59.1 -37.9 -15.7 12.5 11.3 33 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.940 111.1 45.0 -63.2 -45.5 -15.7 12.3 7.5 34 34 A L H >< S+ 0 0 2 -4,-2.0 3,-0.8 -13,-0.3 -2,-0.2 0.917 112.7 51.9 -64.1 -41.4 -14.7 8.6 7.5 35 35 A T H >< S+ 0 0 21 -4,-2.8 3,-1.6 1,-0.3 4,-0.3 0.915 105.4 55.0 -60.9 -42.0 -17.2 7.8 10.2 36 36 A E H 3< S+ 0 0 70 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.713 109.1 50.6 -65.1 -18.4 -20.0 9.4 8.3 37 37 A K T S+ 0 0 0 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.856 78.9 56.6 -64.9 -34.1 -19.1 3.8 7.0 39 39 A D H > S+ 0 0 105 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.857 104.5 54.5 -64.3 -34.1 -22.5 2.8 5.6 40 40 A Y H > S+ 0 0 25 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.953 112.9 41.2 -61.8 -51.1 -21.0 3.5 2.2 41 41 A L H X>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 4,-1.2 0.897 114.2 51.9 -65.8 -41.1 -18.2 1.0 2.8 42 42 A K H ><5S+ 0 0 92 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.921 109.3 51.1 -61.4 -41.5 -20.4 -1.5 4.6 43 43 A G H 3<5S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.4 56.4 -64.2 -33.3 -22.8 -1.4 1.5 44 44 A L H 3<5S- 0 0 1 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.785 122.5-109.7 -68.4 -25.3 -19.8 -2.0 -0.8 45 45 A G T <<5 + 0 0 20 -4,-1.2 -34,-0.2 -3,-0.5 -3,-0.2 0.542 57.8 164.5 107.9 11.3 -19.2 -5.1 1.2 46 46 A I < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 -34,-0.2 -0.399 20.9-171.6 -66.9 133.1 -15.9 -4.1 3.0 47 47 A D + 0 0 41 -36,-2.4 48,-1.7 1,-0.3 2,-0.3 0.747 69.5 10.6 -93.9 -32.2 -15.0 -6.3 6.0 48 48 A A E -ac 12 95A 0 -37,-1.4 -35,-2.1 46,-0.2 2,-0.4 -0.998 62.1-142.9-152.1 150.0 -12.1 -4.2 7.3 49 49 A I E -ac 13 96A 0 46,-2.5 48,-3.6 -2,-0.3 2,-0.5 -0.926 4.4-158.4-116.4 137.2 -10.5 -0.8 6.7 50 50 A W E -ac 14 97A 3 -37,-2.3 -35,-2.8 -2,-0.4 2,-0.4 -0.973 17.0-162.1-111.9 124.2 -6.8 -0.0 6.8 51 51 A I E -ac 15 98A 0 46,-2.5 48,-0.7 -2,-0.5 -35,-0.2 -0.892 17.8-120.4-109.7 137.4 -6.2 3.6 7.5 52 52 A N - 0 0 2 -37,-2.0 47,-0.1 -2,-0.4 11,-0.1 -0.152 66.0 -42.6 -63.6 171.3 -3.0 5.4 6.8 53 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.047 54.9 175.7 -41.6 127.0 -1.1 7.1 9.7 54 54 A H + 0 0 0 45,-0.3 19,-2.6 -3,-0.2 2,-0.2 0.082 40.6 112.5-122.4 20.1 -3.5 8.9 12.0 55 55 A Y E S-H 72 0B 4 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.517 82.3 -70.4 -94.8 163.9 -1.0 10.0 14.8 56 56 A A E +H 68 0B 18 15,-2.1 11,-2.2 12,-0.9 12,-1.1 -0.243 69.9 159.4 -50.7 130.0 0.3 13.4 15.8 57 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.987 56.1-134.5-161.5 143.3 2.5 14.6 12.9 58 58 A P - 0 0 61 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.585 51.2-132.6 -71.9 -10.3 4.1 17.7 11.4 59 59 A N > + 0 0 27 6,-0.6 3,-0.9 2,-0.1 7,-0.1 0.795 61.1 141.7 62.0 34.3 3.0 16.1 8.1 60 60 A T T 3 S+ 0 0 34 1,-0.3 325,-0.3 5,-0.2 -1,-0.1 0.774 93.3 23.3 -71.4 -22.6 6.3 16.5 6.1 61 61 A D T > S- 0 0 8 4,-0.1 3,-1.9 106,-0.1 -1,-0.3 -0.229 123.3 -98.8-134.0 43.1 5.3 13.0 4.8 62 62 A N T < S- 0 0 7 -3,-0.9 -44,-0.1 1,-0.3 -2,-0.1 0.854 93.8 -27.1 40.3 58.9 1.6 13.1 5.4 63 63 A G T 3 S+ 0 0 0 2,-0.2 -8,-0.3 -11,-0.1 -1,-0.3 0.122 116.7 97.6 100.4 -22.0 1.4 11.2 8.6 64 64 A Y S < S+ 0 0 4 -3,-1.9 2,-0.6 1,-0.2 -2,-0.1 0.368 72.7 69.5 -83.9 6.0 4.5 9.0 8.2 65 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 -12,-0.1 2,-0.5 -0.882 78.5-164.7-121.2 92.1 6.6 11.4 10.3 66 66 A I + 0 0 0 -2,-0.6 40,-2.9 38,-0.3 -9,-0.3 -0.709 24.4 177.9 -90.6 125.8 5.1 10.9 13.8 67 67 A S S S+ 0 0 29 -11,-2.2 43,-0.7 -2,-0.5 2,-0.2 0.541 81.0 19.0 -99.1 -10.1 5.8 13.2 16.7 68 68 A D E > -H 56 0B 62 -12,-1.1 3,-1.2 3,-0.2 -12,-0.9 -0.750 59.7-163.2-161.9 110.1 3.6 11.5 19.3 69 69 A Y E 3 S+ 0 0 7 1,-0.2 -1,-0.0 -2,-0.2 -12,-0.0 0.602 90.2 52.2 -72.0 -13.2 2.5 7.9 18.9 70 70 A R E 3 S+ 0 0 96 2,-0.1 2,-0.4 -15,-0.0 -1,-0.2 0.216 98.0 73.4-109.7 16.0 -0.2 8.1 21.5 71 71 A E E < S- 0 0 105 -3,-1.2 -15,-2.1 -15,-0.1 -3,-0.2 -0.953 78.6-119.1-127.0 148.6 -2.0 11.2 20.2 72 72 A V E -H 55 0B 14 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.2 -0.508 42.8 -89.8 -83.0 153.8 -4.3 11.5 17.1 73 73 A M >> - 0 0 0 -19,-2.6 4,-1.2 -17,-0.2 3,-0.9 -0.459 31.4-133.3 -65.7 131.6 -3.3 13.8 14.3 74 74 A K G >4 S+ 0 0 82 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.890 104.6 56.2 -51.4 -45.6 -4.8 17.3 14.9 75 75 A E G 34 S+ 0 0 68 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.821 107.8 47.7 -58.2 -34.9 -6.1 17.5 11.3 76 76 A Y G <4 S- 0 0 3 -3,-0.9 -45,-2.8 1,-0.2 -44,-0.5 0.705 117.6-103.3 -83.6 -18.2 -8.1 14.2 11.7 77 77 A G << - 0 0 20 -4,-1.2 -1,-0.2 -3,-0.7 2,-0.2 -0.983 46.4 -49.3 137.9-148.8 -9.8 15.0 15.0 78 78 A T > - 0 0 78 -2,-0.3 4,-1.9 -3,-0.1 3,-0.2 -0.665 54.2 -95.9-120.5 176.0 -9.3 14.0 18.6 79 79 A M H > S+ 0 0 45 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 0.876 126.0 61.0 -61.1 -34.2 -9.0 10.7 20.4 80 80 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 104.0 47.9 -58.0 -43.4 -12.7 11.0 21.0 81 81 A D H > S+ 0 0 10 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.887 111.6 49.8 -64.1 -39.7 -13.2 11.0 17.2 82 82 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 110.8 50.2 -64.3 -45.7 -10.9 8.0 16.8 83 83 A D H X S+ 0 0 68 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.889 110.7 49.6 -58.8 -39.7 -12.9 6.2 19.6 84 84 A R H X S+ 0 0 85 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.898 107.4 53.2 -67.4 -40.6 -16.1 6.9 17.8 85 85 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.949 110.7 49.2 -57.5 -46.2 -14.8 5.7 14.5 86 86 A M H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 111.7 47.5 -57.2 -47.9 -13.9 2.4 16.3 87 87 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 111.7 49.7 -64.1 -41.8 -17.3 2.1 17.9 88 88 A E H X S+ 0 0 40 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.840 110.1 51.0 -67.5 -34.6 -19.1 2.8 14.6 89 89 A L H ><>S+ 0 0 3 -4,-2.1 5,-3.0 -5,-0.2 3,-0.7 0.924 110.8 49.2 -67.0 -43.6 -17.0 0.2 12.8 90 90 A K H ><5S+ 0 0 174 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.911 103.0 59.2 -63.9 -40.4 -17.8 -2.4 15.5 91 91 A K H 3<5S+ 0 0 157 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.789 111.0 45.0 -57.9 -25.0 -21.5 -1.7 15.4 92 92 A R T <<5S- 0 0 51 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.352 117.2-113.3-101.4 5.6 -21.2 -2.7 11.7 93 93 A G T < 5S+ 0 0 52 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.754 71.9 139.1 69.5 24.4 -19.1 -5.8 12.4 94 94 A M < - 0 0 9 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.3 -0.634 43.6-138.7 -99.2 158.2 -16.2 -4.1 10.6 95 95 A R E -c 48 0A 87 -48,-1.7 -46,-2.5 -2,-0.2 2,-0.5 -0.860 8.0-137.0-116.2 154.3 -12.5 -4.3 11.7 96 96 A L E -c 49 0A 7 -2,-0.3 99,-1.7 97,-0.3 100,-1.1 -0.934 11.0-168.2-114.9 131.7 -9.9 -1.5 11.7 97 97 A M E -cd 50 196A 1 -48,-3.6 -46,-2.5 -2,-0.5 2,-0.3 -0.963 13.9-160.1-113.8 128.7 -6.3 -1.9 10.6 98 98 A V E -cd 51 197A 0 98,-2.4 100,-2.7 -2,-0.5 2,-0.4 -0.731 20.9-110.4-107.6 160.0 -3.9 0.9 11.5 99 99 A D E - d 0 198A 0 -48,-0.7 2,-0.6 -2,-0.3 -45,-0.3 -0.707 25.5-156.3 -88.0 134.1 -0.6 1.9 10.1 100 100 A V E - d 0 199A 2 98,-3.3 100,-2.4 -2,-0.4 2,-0.7 -0.952 8.9-174.0-116.1 116.9 2.4 1.4 12.4 101 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 98,-0.1 -0.817 29.7 136.7-113.7 88.6 5.4 3.6 11.5 102 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.178 49.4 84.2-123.3 18.8 8.3 2.5 13.7 103 103 A N S S- 0 0 0 1,-0.3 68,-2.4 97,-0.1 2,-0.3 0.770 112.3 -3.2 -81.6 -30.1 11.2 2.5 11.3 104 104 A H B -I 170 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.959 64.3-149.2-154.3 164.9 11.5 6.2 12.0 105 105 A S - 0 0 0 64,-1.8 -38,-0.2 -2,-0.3 2,-0.1 -0.707 40.2 -81.5-127.0 179.5 9.8 9.0 13.9 106 106 A S > - 0 0 0 -40,-2.9 3,-1.3 -2,-0.2 6,-0.3 -0.485 35.1-122.2 -78.4 158.5 9.4 12.7 13.3 107 107 A D T 3 S+ 0 0 27 60,-1.4 -1,-0.1 1,-0.3 61,-0.1 0.498 114.5 63.9 -78.6 -0.6 12.4 14.9 14.3 108 108 A Q T 3 S+ 0 0 83 59,-0.3 -1,-0.3 4,-0.1 -41,-0.1 0.406 74.8 115.7 -98.2 -0.3 9.8 16.7 16.4 109 109 A H S X> S- 0 0 13 -3,-1.3 4,-2.0 -43,-0.2 3,-0.6 -0.436 77.8-122.2 -65.7 145.7 9.2 13.5 18.5 110 110 A E H 3> S+ 0 0 118 -43,-0.7 4,-1.9 1,-0.2 5,-0.2 0.839 111.6 60.8 -59.4 -32.2 10.3 14.2 22.1 111 111 A W H 3> S+ 0 0 28 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 107.7 44.0 -61.4 -40.6 12.7 11.2 21.9 112 112 A F H <> S+ 0 0 4 -3,-0.6 4,-2.7 -6,-0.3 -2,-0.2 0.890 108.5 55.0 -71.6 -41.5 14.6 13.0 19.0 113 113 A K H < S+ 0 0 92 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.894 116.6 40.6 -57.6 -36.8 14.6 16.4 20.7 114 114 A S H >X S+ 0 0 35 -4,-1.9 3,-1.5 -5,-0.2 4,-0.6 0.938 111.5 55.5 -73.4 -51.7 16.3 14.6 23.6 115 115 A S H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.3 6,-0.2 0.882 106.7 51.2 -49.5 -44.4 18.5 12.4 21.5 116 116 A R T 3< S+ 0 0 97 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.633 89.5 81.9 -74.1 -13.2 20.1 15.3 19.7 117 117 A A T <4 S- 0 0 40 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.848 107.1 -23.4 -60.5 -41.2 21.0 17.3 22.9 118 118 A S X< - 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0 0 9 -3,-0.5 -1,-0.3 1,-0.1 22,-0.2 -0.428 66.7-105.0 -72.8 140.6 41.6 44.5 39.9 817 259 B P > - 0 0 23 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.401 30.7-121.5 -61.9 140.7 40.7 48.0 40.9 818 260 B L G > S+ 0 0 25 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.853 108.3 65.1 -53.7 -37.9 43.7 49.6 42.5 819 261 B N G 3 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.606 99.7 53.7 -64.1 -10.8 41.9 50.2 45.8 820 262 B Q G X> S+ 0 0 41 -3,-2.1 3,-1.5 1,-0.1 4,-0.6 0.554 81.7 89.8 -98.8 -9.2 41.6 46.5 46.4 821 263 B V H X> S+ 0 0 1 -3,-1.7 3,-1.7 -4,-0.5 4,-1.5 0.862 75.8 65.7 -57.8 -35.3 45.3 45.7 45.9 822 264 B P H 3> S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.810 92.1 63.6 -58.1 -26.8 46.1 46.1 49.6 823 265 B L H <4 S+ 0 0 64 -3,-1.5 -2,-0.2 1,-0.2 9,-0.1 0.801 107.5 43.7 -67.4 -25.2 43.9 43.1 50.4 824 266 B F H << S+ 0 0 1 -3,-1.7 8,-2.8 -4,-0.6 -1,-0.2 0.831 125.8 26.5 -86.1 -36.1 46.4 41.0 48.4 825 267 B I H < S+ 0 0 1 -4,-1.5 2,-0.3 6,-0.2 -2,-0.2 0.551 76.2 119.5-110.6 -10.4 49.7 42.4 49.7 826 268 B D >< - 0 0 28 -4,-2.3 3,-1.9 -5,-0.2 4,-0.4 -0.443 60.9-141.2 -57.7 120.3 49.2 43.7 53.2 827 269 B S G > S+ 0 0 67 47,-2.7 3,-1.1 -2,-0.3 -1,-0.2 0.800 96.7 63.3 -57.3 -29.3 51.6 41.5 55.1 828 270 B R G 3 S+ 0 0 159 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.707 94.8 60.0 -70.0 -18.9 49.2 41.2 58.0 829 271 B R G < S- 0 0 77 -3,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.570 98.9-136.4 -85.0 -10.6 46.6 39.5 55.9 830 272 B K < + 0 0 141 -3,-1.1 -32,-0.2 -4,-0.4 -31,-0.2 0.953 68.2 110.1 52.5 56.2 48.9 36.6 55.1 831 273 B E S S- 0 0 4 1,-0.5 2,-0.2 -5,-0.4 -6,-0.2 0.418 77.7 -11.0-118.3 -97.0 48.0 36.4 51.4 832 274 B L - 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