==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-FEB-13 4JBC . COMPND 2 MOLECULE: DESIGNED SERINE HYDROLASE 3MMJ_2; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR A.KUZIN,S.LEW,S.RAJAGOPALAN,J.SEETHARAMAN,M.MAGLAQUI,R.XIAO, . 627 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 3 0 0 2 1 1 2 3 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 3 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 Q 0 0 219 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-111.1 -48.3 38.4 -48.9 2 3 A T + 0 0 95 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.981 360.0 22.3-161.4 160.6 -45.5 39.0 -46.4 3 4 A V - 0 0 103 -2,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.548 44.6-173.5 -78.4 157.3 -43.6 38.6 -44.2 4 5 A T S S+ 0 0 117 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.895 89.8 6.5 -72.1 -45.2 -43.3 34.8 -44.5 5 6 A E S S- 0 0 48 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.957 83.5-145.4-140.8 119.1 -41.2 35.1 -41.4 6 7 A P > - 0 0 53 0, 0.0 3,-2.2 0, 0.0 307,-0.1 -0.314 38.3 -79.3 -78.4 161.7 -40.7 38.3 -39.4 7 8 A V T 3 S+ 0 0 24 305,-0.4 305,-0.4 1,-0.3 307,-0.0 -0.402 122.6 40.1 -57.5 135.5 -37.6 39.5 -37.6 8 9 A G T 3 S+ 0 0 4 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.163 111.9 63.2 103.9 -12.6 -37.5 37.7 -34.3 9 10 A S X + 0 0 19 -3,-2.2 3,-1.0 1,-0.1 4,-0.3 -0.030 56.0 126.1-133.2 30.3 -38.7 34.5 -36.0 10 11 A Y G > + 0 0 56 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.813 66.9 66.0 -59.9 -35.8 -35.9 33.6 -38.5 11 12 A A G > S+ 0 0 15 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.774 82.5 75.3 -62.3 -27.3 -35.4 30.1 -37.1 12 13 A R G < S+ 0 0 165 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.751 89.2 61.2 -56.1 -22.9 -38.9 29.1 -38.3 13 14 A A G < S+ 0 0 71 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.612 86.0 95.3 -79.9 -12.4 -37.5 29.0 -41.8 14 15 A E S < S- 0 0 48 -3,-2.3 -3,-0.0 -4,-0.2 0, 0.0 -0.445 81.4-116.5 -77.7 154.8 -34.9 26.2 -40.9 15 16 A R > - 0 0 135 1,-0.1 3,-1.4 -2,-0.1 4,-0.1 -0.840 16.9-156.5-100.5 114.8 -35.8 22.6 -41.5 16 17 A P G > S+ 0 0 56 0, 0.0 3,-3.0 0, 0.0 109,-0.2 0.859 88.5 62.4 -55.7 -45.7 -36.1 20.5 -38.4 17 18 A Q G > S+ 0 0 67 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.689 95.1 64.9 -61.6 -14.4 -35.4 17.1 -40.0 18 19 A D G < S+ 0 0 75 -3,-1.4 -1,-0.3 1,-0.2 101,-0.1 0.585 107.6 40.5 -81.3 -4.2 -32.0 18.4 -40.9 19 20 A F G < S+ 0 0 13 -3,-3.0 103,-0.3 103,-0.2 -1,-0.2 0.153 78.2 152.1-130.5 20.7 -31.1 18.6 -37.2 20 21 A E < - 0 0 65 -3,-0.5 99,-0.5 -4,-0.2 103,-0.1 -0.057 50.6 -94.8 -59.8 153.0 -32.5 15.5 -35.5 21 22 A G E +A 118 0A 11 102,-0.4 97,-0.3 97,-0.2 440,-0.2 -0.352 44.1 163.9 -73.8 149.0 -30.9 14.1 -32.3 22 23 A F E + 0 0 18 95,-3.6 2,-0.3 1,-0.3 441,-0.2 0.449 57.5 30.8-142.0 -10.3 -28.4 11.3 -32.5 23 24 A V E -A 117 0A 4 94,-1.2 94,-3.0 92,-0.1 2,-0.8 -0.995 69.3-116.1-153.0 147.2 -26.5 11.1 -29.2 24 25 A W E -Ab 116 150A 17 125,-0.9 127,-2.0 -2,-0.3 2,-0.5 -0.795 39.9-155.0 -78.3 112.0 -26.8 11.7 -25.5 25 26 A R E -Ab 115 151A 35 90,-3.3 90,-1.8 -2,-0.8 2,-0.2 -0.777 15.6-118.5 -96.6 132.9 -24.4 14.4 -24.8 26 27 A L E -A 114 0A 48 125,-2.2 88,-0.2 -2,-0.5 127,-0.2 -0.477 22.1-166.7 -64.1 129.1 -22.9 14.8 -21.3 27 28 A L S S+ 0 0 32 86,-2.5 2,-0.3 1,-0.3 48,-0.2 0.731 70.7 0.2 -92.9 -25.5 -23.8 18.3 -19.9 28 29 A N - 0 0 19 85,-0.6 -1,-0.3 48,-0.1 48,-0.1 -0.916 52.2-144.2-163.0 137.0 -21.4 18.3 -17.0 29 30 A D - 0 0 104 -2,-0.3 -1,-0.1 -3,-0.1 47,-0.0 0.637 41.2-131.6 -79.8 -13.6 -18.7 15.9 -15.7 30 31 A G + 0 0 28 4,-0.1 -1,-0.0 -3,-0.0 46,-0.0 0.615 69.7 123.4 78.4 13.5 -19.6 16.9 -12.1 31 32 A K + 0 0 167 3,-0.0 -1,-0.0 2,-0.0 -3,-0.0 0.976 59.4 68.1 -69.2 -55.9 -16.0 17.5 -11.0 32 33 A E S S- 0 0 105 2,-0.1 4,-0.1 1,-0.1 48,-0.0 -0.137 84.6-124.9 -59.8 158.1 -16.6 21.1 -9.9 33 34 A A S S+ 0 0 64 2,-0.1 50,-0.2 50,-0.1 51,-0.1 0.774 93.9 31.6 -73.0 -29.5 -18.7 22.1 -6.9 34 35 A L S S- 0 0 34 49,-0.1 -2,-0.1 1,-0.1 47,-0.1 -0.838 91.1 -97.4-126.3 160.5 -20.9 24.4 -9.0 35 36 A P > - 0 0 2 0, 0.0 3,-0.8 0, 0.0 41,-0.1 -0.319 55.3 -86.7 -68.2 165.6 -22.1 24.6 -12.6 36 37 A R T 3 S+ 0 0 122 39,-0.4 38,-2.7 1,-0.2 0, 0.0 -0.323 107.6 20.2 -72.7 157.9 -20.1 26.8 -15.1 37 38 A N T 3 S+ 0 0 74 36,-0.2 -1,-0.2 1,-0.2 35,-0.1 0.701 79.0 172.6 58.1 25.8 -20.9 30.5 -15.4 38 39 A F < + 0 0 38 -3,-0.8 2,-0.3 35,-0.1 35,-0.2 -0.441 9.8 154.6 -63.9 138.2 -22.7 30.6 -12.1 39 40 A R E -F 72 0B 3 33,-1.5 33,-2.0 -2,-0.1 2,-0.3 -0.973 27.8-152.8-169.1 154.9 -23.5 34.3 -11.3 40 41 A T E > -F 71 0B 0 -2,-0.3 3,-2.0 31,-0.2 31,-0.2 -0.931 29.5-120.5-140.4 147.2 -26.0 36.3 -9.3 41 42 A S T 3 S+ 0 0 2 29,-2.6 27,-0.1 -2,-0.3 30,-0.1 0.552 114.1 61.3 -71.4 -4.5 -27.4 39.8 -9.5 42 43 A A T 3 S+ 0 0 45 28,-0.3 -1,-0.3 24,-0.1 24,-0.1 0.486 84.2 109.2 -91.4 -6.6 -25.9 40.5 -6.1 43 44 A D S < S- 0 0 50 -3,-2.0 2,-0.2 1,-0.1 3,-0.1 -0.307 77.5-105.9 -72.1 153.4 -22.4 39.9 -7.4 44 45 A A - 0 0 79 1,-0.1 -1,-0.1 210,-0.1 -4,-0.1 -0.547 42.1-102.3 -75.6 143.6 -19.9 42.7 -7.9 45 46 A L - 0 0 46 -2,-0.2 2,-0.2 1,-0.0 209,-0.2 -0.308 36.8-158.9 -65.7 145.5 -19.3 43.7 -11.5 46 47 A R - 0 0 175 207,-3.2 209,-0.1 204,-0.2 -1,-0.0 -0.712 36.1 -71.2-115.8 173.8 -16.1 42.5 -13.2 47 48 A A - 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.386 56.8-109.6 -65.2 140.1 -14.2 43.9 -16.2 48 49 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.235 40.6 -91.7 -63.6 160.0 -16.0 43.3 -19.5 49 50 A E > - 0 0 98 1,-0.1 3,-1.8 203,-0.1 5,-0.4 -0.556 29.9-126.8 -74.7 140.4 -14.6 40.8 -22.0 50 51 A K G > S+ 0 0 185 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 0.829 102.9 70.8 -52.1 -40.0 -12.1 42.3 -24.5 51 52 A K G 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.733 94.0 57.5 -53.1 -23.5 -14.0 40.8 -27.5 52 53 A F G < S- 0 0 3 -3,-1.8 -1,-0.3 210,-0.1 -2,-0.2 0.596 96.8-137.0 -90.5 -10.1 -16.9 43.2 -26.9 53 54 A H < + 0 0 143 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.1 0.902 47.8 150.9 54.5 49.2 -14.9 46.5 -27.1 54 55 A L - 0 0 29 -5,-0.4 2,-0.7 -4,-0.0 -1,-0.2 -0.702 57.2 -98.6-103.7 160.3 -16.4 48.2 -24.2 55 56 A D > - 0 0 105 -2,-0.3 3,-1.7 1,-0.2 -1,-0.0 -0.707 28.3-155.1 -76.1 112.4 -14.9 50.8 -21.8 56 57 A A T 3 S+ 0 0 67 -2,-0.7 -1,-0.2 1,-0.3 -6,-0.0 0.708 92.3 58.0 -62.4 -18.6 -13.8 48.8 -18.8 57 58 A A T 3 S+ 0 0 77 -10,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.503 76.8 108.9 -92.2 -4.1 -14.1 51.9 -16.7 58 59 A Y < - 0 0 72 -3,-1.7 -4,-0.0 1,-0.0 0, 0.0 -0.606 55.1-158.8 -71.1 128.6 -17.8 52.6 -17.5 59 60 A V - 0 0 113 -2,-0.4 3,-0.1 -14,-0.0 187,-0.1 -0.905 6.8-150.1-111.6 102.8 -19.8 51.9 -14.3 60 61 A P - 0 0 2 0, 0.0 186,-0.0 0, 0.0 2,-0.0 -0.324 34.5 -87.4 -64.3 153.2 -23.5 51.2 -15.1 61 62 A S - 0 0 48 1,-0.1 189,-0.1 2,-0.0 181,-0.0 -0.352 27.6-153.7 -55.7 137.6 -26.1 52.1 -12.5 62 63 A R > + 0 0 92 -3,-0.1 3,-2.1 2,-0.1 4,-0.4 0.223 44.6 144.6 -94.6 10.8 -26.7 49.4 -10.0 63 64 A E T 3 S+ 0 0 116 1,-0.3 179,-0.1 2,-0.1 -2,-0.0 -0.261 72.0 8.3 -54.8 127.8 -30.2 50.7 -9.4 64 65 A G T 3> S+ 0 0 16 177,-0.0 4,-0.7 1,-0.0 3,-0.5 0.212 95.9 112.4 90.9 -16.5 -32.5 47.7 -8.8 65 66 A X H X> S+ 0 0 1 -3,-2.1 3,-1.3 1,-0.2 4,-0.8 0.912 72.1 51.4 -60.7 -52.8 -29.8 45.1 -8.6 66 67 A D H 34 S+ 0 0 110 -4,-0.4 -1,-0.2 1,-0.3 -24,-0.1 0.770 117.0 41.9 -59.1 -26.8 -30.1 44.1 -4.9 67 68 A A H 34 S+ 0 0 57 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.521 94.5 84.2 -94.0 -6.7 -33.8 43.6 -5.3 68 69 A L H << - 0 0 1 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.912 68.5-168.3 -64.6 -50.3 -33.6 41.8 -8.7 69 70 A H < + 0 0 47 -4,-0.8 147,-1.9 1,-0.2 2,-0.3 0.954 32.0 131.5 61.8 59.0 -32.9 38.4 -7.2 70 71 A I E + g 0 216B 1 145,-0.2 -29,-2.6 147,-0.0 2,-0.3 -0.960 28.3 178.6-135.5 160.3 -31.8 36.4 -10.2 71 72 A S E -Fg 40 217B 0 145,-2.4 147,-3.0 -2,-0.3 2,-0.3 -0.945 7.8-158.5-150.6 165.7 -29.0 34.1 -11.1 72 73 A G E +Fg 39 218B 0 -33,-2.0 -33,-1.5 -2,-0.3 2,-0.3 -0.967 15.0 156.9-143.6 159.6 -27.8 32.0 -14.1 73 74 A S E - g 0 219B 0 145,-1.5 147,-1.3 -2,-0.3 150,-0.3 -0.969 38.4 -96.8-165.8 171.0 -25.6 29.0 -14.8 74 75 A S - 0 0 9 -38,-2.7 148,-0.2 148,-0.3 147,-0.2 -0.162 67.9 -57.1 -76.2-173.7 -24.9 26.2 -17.2 75 76 A A - 0 0 4 146,-1.5 -39,-0.4 145,-0.2 2,-0.3 -0.119 60.8-160.4 -67.6 166.4 -26.2 22.7 -16.7 76 77 A F - 0 0 2 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.976 23.0-115.5-150.5 153.6 -25.5 20.7 -13.5 77 78 A T > - 0 0 20 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.438 48.1-104.3 -76.9 163.8 -25.4 17.4 -11.8 78 79 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.868 123.4 51.9 -62.3 -36.6 -27.9 17.0 -8.9 79 80 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 107.7 52.9 -65.3 -39.1 -25.2 17.5 -6.3 80 81 A Q H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 106.6 52.5 -65.4 -32.7 -24.1 20.7 -8.1 81 82 A L H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.893 105.6 54.2 -70.7 -39.0 -27.7 22.0 -7.9 82 83 A K H X S+ 0 0 118 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.921 108.3 49.9 -57.7 -43.3 -27.8 21.3 -4.2 83 84 A N H X S+ 0 0 73 -4,-2.0 4,-1.5 -50,-0.2 -1,-0.2 0.875 111.7 49.2 -58.5 -41.4 -24.6 23.5 -3.9 84 85 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.936 110.1 49.8 -62.1 -49.6 -26.4 26.1 -6.0 85 86 A A H X S+ 0 0 9 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.876 108.1 53.1 -59.4 -41.5 -29.5 26.1 -3.9 86 87 A A H X S+ 0 0 60 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.883 110.8 48.2 -63.4 -36.6 -27.4 26.4 -0.7 87 88 A K H < S+ 0 0 93 -4,-1.5 4,-0.4 2,-0.2 3,-0.4 0.924 112.2 47.1 -69.6 -45.2 -25.7 29.5 -2.1 88 89 A L H >X S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-1.0 0.865 105.2 61.9 -63.5 -35.8 -29.0 31.1 -3.2 89 90 A R H 3< S+ 0 0 110 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.843 94.4 61.3 -60.4 -34.7 -30.5 30.4 0.2 90 91 A E T 3< S+ 0 0 170 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.753 109.8 43.6 -60.6 -20.5 -27.8 32.6 1.8 91 92 A K T <4 S+ 0 0 83 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.595 119.2 24.6-104.1 -15.6 -29.3 35.5 -0.2 92 93 A T < - 0 0 17 -4,-1.0 -1,-0.2 -3,-0.4 4,-0.1 -0.998 42.4-155.5-152.6 152.5 -33.0 35.0 0.2 93 94 A A S S+ 0 0 97 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.182 74.1 98.2-104.5 10.9 -35.8 33.6 2.3 94 95 A G S S- 0 0 2 119,-0.3 120,-0.2 1,-0.1 2,-0.1 -0.362 90.1 -71.2 -94.1 174.2 -38.1 33.3 -0.7 95 96 A P - 0 0 24 0, 0.0 120,-2.5 0, 0.0 2,-0.6 -0.448 48.8-143.7 -60.4 132.2 -39.1 30.5 -3.1 96 97 A I E -h 215 0B 5 85,-0.4 87,-2.7 118,-0.2 2,-0.4 -0.915 14.9-158.0-106.2 123.9 -36.1 29.6 -5.3 97 98 A Y E -hi 216 183B 22 118,-3.2 120,-3.2 -2,-0.6 2,-0.8 -0.843 16.8-148.7-101.4 132.1 -36.9 28.6 -8.9 98 99 A D E -hi 217 184B 1 85,-3.0 87,-2.3 -2,-0.4 2,-0.8 -0.877 20.5-161.5 -82.7 111.1 -34.9 26.6 -11.4 99 100 A V E -hi 218 185B 0 118,-3.7 120,-2.5 -2,-0.8 2,-0.6 -0.856 5.4-157.1 -98.9 105.1 -36.0 28.2 -14.6 100 101 A D E -hi 219 186B 0 85,-2.5 87,-3.5 -2,-0.8 120,-0.2 -0.733 14.0-179.1 -90.6 114.2 -35.0 25.6 -17.3 101 102 A L E + 0 0 1 118,-2.6 88,-1.3 -2,-0.6 2,-0.4 0.419 38.6 114.7 -98.3 0.2 -34.6 27.3 -20.7 102 103 A S E - i 0 189B 13 117,-0.3 88,-0.2 86,-0.2 4,-0.1 -0.589 43.7-166.3 -86.7 127.5 -33.7 24.3 -23.1 103 104 A Q + 0 0 15 86,-1.8 87,-0.2 -2,-0.4 -1,-0.1 0.728 65.7 94.3 -75.4 -21.9 -36.0 23.2 -25.9 104 105 A N S S- 0 0 7 85,-0.3 2,-0.6 17,-0.1 13,-0.1 -0.244 90.8 -94.9 -75.6 163.6 -34.0 20.0 -26.3 105 106 A S + 0 0 2 11,-0.4 11,-3.1 30,-0.0 2,-0.3 -0.664 61.9 155.6 -76.3 117.7 -34.9 16.7 -24.6 106 107 A H E +C 115 0A 5 -2,-0.6 67,-0.4 9,-0.2 2,-0.3 -0.971 7.9 118.7-149.4 157.3 -32.9 16.4 -21.4 107 108 A G E -C 114 0A 1 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.897 54.9 -56.5 178.2-147.9 -32.7 14.9 -17.9 108 109 A Y E -CD 113 171A 4 63,-2.4 63,-2.3 -2,-0.3 2,-0.5 -0.979 27.7-169.5-134.4 125.4 -30.6 12.6 -15.8 109 110 A L E > S-CD 112 170A 1 3,-2.3 3,-2.4 -2,-0.4 61,-0.2 -0.964 88.6 -15.8-112.6 122.4 -29.3 9.1 -16.3 110 111 A D T 3 S- 0 0 39 59,-2.6 -1,-0.2 -2,-0.5 60,-0.1 0.903 131.9 -55.4 46.5 40.8 -27.8 7.4 -13.2 111 112 A G T 3 S+ 0 0 20 58,-0.2 -1,-0.3 1,-0.2 -32,-0.2 0.505 110.8 132.5 74.2 4.8 -27.7 11.1 -12.0 112 113 A I E < - 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0 0 47 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.365 20.3-116.7 -80.5 155.1 -3.9 -34.5 -41.7 558 245 B L H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 116.7 52.9 -48.0 -52.3 -4.9 -32.0 -39.0 559 246 B K H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.5 49.0 -54.7 -44.4 -1.5 -30.4 -39.1 560 247 B D H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 111.3 47.5 -63.5 -45.6 -1.8 -29.9 -42.9 561 248 B I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 115.1 46.5 -62.7 -45.4 -5.2 -28.3 -42.8 562 249 B L H X S+ 0 0 7 -4,-2.6 4,-1.5 -5,-0.2 11,-0.2 0.916 116.1 43.5 -61.2 -50.4 -4.3 -26.0 -40.0 563 250 B Y H X S+ 0 0 15 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.924 114.6 51.8 -60.0 -50.0 -1.0 -24.9 -41.6 564 251 B R H X S+ 0 0 0 -4,-2.8 4,-0.7 -5,-0.2 -2,-0.2 0.925 110.9 44.8 -47.9 -62.0 -2.7 -24.6 -45.1 565 252 B Q H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 -1,-0.2 0.800 117.5 46.1 -63.4 -30.7 -5.5 -22.4 -44.0 566 253 B H H ><5S+ 0 0 4 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 0.856 107.7 56.3 -77.4 -35.7 -3.2 -20.2 -42.0 567 254 B E H 3<5S+ 0 0 10 -4,-2.7 -207,-3.0 1,-0.3 -2,-0.2 0.511 101.5 57.6 -80.1 -2.2 -0.5 -19.9 -44.7 568 255 B I T 3<5S- 0 0 3 -4,-0.7 -1,-0.3 -209,-0.2 -214,-0.2 0.377 135.6 -79.2-102.2 1.6 -3.1 -18.5 -47.2 569 256 B G T < 5S+ 0 0 15 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.2 0.379 94.3 109.3 126.7 -1.6 -3.9 -15.7 -44.8 570 257 B G S - 0 0 134 -2,-0.3 3,-1.4 1,-0.1 -1,-0.0 -0.479 35.5-111.3 -73.1 156.2 -3.2 -7.8 -23.0 582 269 B D G > S+ 0 0 143 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.846 123.0 62.9 -57.8 -33.0 -4.9 -7.5 -19.6 583 270 B K G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.808 112.3 34.6 -55.4 -34.8 -7.5 -5.5 -21.6 584 271 B D G X S+ 0 0 44 -3,-1.4 3,-1.9 1,-0.1 4,-0.4 0.059 78.0 120.9-112.2 23.8 -8.2 -8.7 -23.6 585 272 B S T X + 0 0 73 -3,-1.3 3,-0.8 1,-0.3 4,-0.4 0.736 67.7 67.5 -62.7 -21.0 -7.7 -11.3 -20.8 586 273 B W T 3> S+ 0 0 60 1,-0.2 4,-0.5 -3,-0.2 3,-0.3 0.751 90.3 64.0 -68.5 -22.1 -11.2 -12.5 -21.4 587 274 B K H X> S+ 0 0 66 -3,-1.9 4,-2.2 1,-0.2 3,-0.5 0.777 81.7 84.0 -71.2 -24.5 -10.2 -13.8 -24.8 588 275 B T H <> S+ 0 0 34 -3,-0.8 4,-1.9 -4,-0.4 -1,-0.2 0.868 90.6 41.7 -54.7 -51.8 -7.8 -16.4 -23.3 589 276 B K H 3> S+ 0 0 103 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.3 0.830 112.8 55.6 -69.1 -27.3 -10.2 -19.3 -22.6 590 277 B Y H < S+ 0 0 101 -4,-1.0 3,-0.5 -3,-0.2 -2,-0.1 0.808 84.7 52.0 -68.4 -31.1 -17.2 -39.7 -42.9 610 297 B A T 3 S+ 0 0 94 -4,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.977 102.8 50.2 -74.2 -60.3 -18.0 -43.3 -43.8 611 298 B D T > S- 0 0 78 -4,-0.2 3,-1.2 1,-0.1 2,-0.5 -0.086 116.9-102.7 -77.1 42.3 -21.7 -43.8 -43.1 612 299 B G T < - 0 0 36 -2,-1.7 -1,-0.1 -3,-0.5 3,-0.0 -0.693 63.2 -68.5 72.6-121.0 -22.5 -40.6 -45.1 613 300 B Y T 3 S+ 0 0 49 -2,-0.5 -1,-0.2 -3,-0.1 -4,-0.1 -0.212 75.8 152.5-156.5 51.9 -23.2 -38.3 -42.2 614 301 B Q < + 0 0 149 -3,-1.2 -2,-0.1 -6,-0.1 -6,-0.0 0.801 60.4 69.2 -55.3 -32.8 -26.4 -39.7 -40.8 615 302 B T S S- 0 0 47 -7,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.813 84.0-132.1 -97.4 117.7 -25.5 -38.3 -37.3 616 303 B P > - 0 0 59 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.267 20.7-117.3 -59.0 151.5 -25.6 -34.5 -36.9 617 304 B W H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.872 113.5 56.3 -57.2 -43.6 -22.6 -32.8 -35.2 618 305 B S H > S+ 0 0 23 -107,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.863 111.6 44.1 -62.8 -35.4 -24.7 -31.6 -32.3 619 306 B V H > S+ 0 0 71 -3,-0.2 4,-1.2 2,-0.2 3,-0.3 0.951 114.7 46.3 -71.5 -54.8 -25.8 -35.1 -31.6 620 307 B W H >X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 3,-0.6 0.913 110.2 57.4 -54.0 -42.0 -22.4 -36.7 -32.0 621 308 B L H 3< S+ 0 0 19 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 101.7 53.4 -58.4 -44.6 -20.9 -33.9 -29.8 622 309 B K H 3< S+ 0 0 170 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.818 117.0 38.0 -62.2 -29.5 -23.2 -34.7 -26.8 623 310 B S H << S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.629 123.8 40.2-101.1 -14.0 -22.1 -38.3 -26.8 624 311 B H S < S- 0 0 80 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.621 89.4-168.7-124.7 71.3 -18.5 -37.7 -27.7 625 312 B P - 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -303,-0.1 -0.242 19.4-116.8 -67.1 150.5 -17.8 -34.6 -25.5 626 313 B A - 0 0 13 -305,-0.4 -305,-0.3 -5,-0.1 2,-0.3 -0.201 43.5 -92.8 -69.3 172.0 -14.7 -32.5 -25.9 627 314 B K 0 0 172 1,-0.2 -27,-0.0 -31,-0.1 -1,-0.0 -0.986 360.0 360.0-156.3 148.3 -12.3 -32.2 -23.0 628 315 B A 0 0 114 -2,-0.3 -1,-0.2 -32,-0.0 -2,-0.0 0.199 360.0 360.0-143.0 360.0 -11.5 -30.7 -20.7