==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 18-JUL-07 2QNC . COMPND 2 MOLECULE: RECOMBINATION ENDONUCLEASE VII; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR C.BIERTUMPFEL,W.YANG,D.SUCK . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 0 0 0 2 2 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 119 0, 0.0 261,-1.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -42.7 -8.3 -28.0 33.8 2 2 A L B -a 262 0A 10 312,-0.4 2,-1.6 259,-0.2 261,-0.1 -0.742 360.0-131.1 -82.5 116.1 -5.0 -26.1 33.7 3 3 A L + 0 0 2 259,-2.3 2,-0.4 -2,-0.7 -1,-0.1 -0.439 46.1 159.5 -67.7 89.1 -2.3 -28.7 33.0 4 4 A T > - 0 0 88 -2,-1.6 3,-1.8 259,-0.1 -2,-0.0 -0.870 45.4 -31.4-120.9 147.6 0.2 -28.0 35.7 5 5 A G T >> S+ 0 0 55 -2,-0.4 3,-1.9 1,-0.3 4,-0.8 -0.207 131.4 8.4 58.3-132.2 3.0 -30.0 37.3 6 6 A K H 3> S+ 0 0 171 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.822 126.7 69.2 -49.8 -27.3 2.6 -33.8 37.5 7 7 A L H <> S+ 0 0 66 -3,-1.8 4,-3.5 2,-0.2 -1,-0.3 0.820 90.9 56.9 -62.4 -37.5 -0.5 -33.1 35.3 8 8 A Y H <> S+ 0 0 62 -3,-1.9 4,-1.8 2,-0.2 5,-0.2 0.996 113.0 36.7 -60.1 -68.1 1.5 -32.1 32.3 9 9 A K H X S+ 0 0 142 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.849 119.5 55.7 -50.3 -34.1 3.5 -35.3 31.9 10 10 A E H X S+ 0 0 72 -4,-2.0 4,-2.2 -5,-0.3 3,-0.5 0.963 102.5 50.9 -63.7 -56.9 0.3 -37.0 33.1 11 11 A E H X S+ 0 0 12 -4,-3.5 4,-3.0 1,-0.3 -1,-0.2 0.871 106.2 56.5 -49.6 -46.3 -2.0 -35.7 30.4 12 12 A K H X S+ 0 0 16 -4,-1.8 4,-3.5 -5,-0.2 -1,-0.3 0.917 106.8 50.1 -53.5 -43.1 0.4 -36.7 27.7 13 13 A Q H X S+ 0 0 75 -4,-1.4 4,-1.6 -3,-0.5 -2,-0.2 0.985 109.5 49.8 -59.4 -54.7 0.1 -40.2 29.0 14 14 A K H X S+ 0 0 128 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.874 117.1 42.9 -49.5 -42.3 -3.7 -40.1 29.0 15 15 A F H X S+ 0 0 34 -4,-3.0 4,-1.9 -5,-0.2 5,-0.3 0.960 103.1 62.7 -69.5 -54.2 -3.5 -38.9 25.4 16 16 A Y H X>S+ 0 0 52 -4,-3.5 5,-2.9 1,-0.2 4,-0.7 0.778 110.4 44.4 -38.4 -37.1 -0.8 -41.2 24.2 17 17 A D H ><5S+ 0 0 76 -4,-1.6 3,-0.7 2,-0.2 -1,-0.2 0.939 103.9 56.5 -81.4 -53.5 -3.2 -44.0 24.9 18 18 A A H 3<5S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.808 119.0 39.5 -51.0 -23.4 -6.5 -42.7 23.5 19 19 A Q H 3<5S- 0 0 16 -4,-1.9 -1,-0.3 3,-0.0 -2,-0.2 0.678 104.7-133.8 -98.1 -20.1 -4.4 -42.4 20.3 20 20 A N T <<5S- 0 0 117 -3,-0.7 -3,-0.2 -4,-0.7 3,-0.1 0.930 71.6 -51.5 66.6 49.0 -2.5 -45.7 20.8 21 21 A G S - 0 0 0 5,-2.4 4,-1.3 -2,-0.5 34,-0.2 -0.661 18.9-137.4 -73.4 117.4 0.4 -39.4 15.6 24 24 A L T 4 S+ 0 0 70 32,-1.0 228,-0.2 -2,-0.7 -1,-0.2 0.562 94.5 29.1 -56.0 -5.7 -3.0 -37.7 15.0 25 25 A I T 4 S+ 0 0 0 3,-0.1 223,-0.1 226,-0.1 -1,-0.1 0.721 131.4 25.0-118.9 -67.8 -1.6 -36.2 11.8 26 26 A C T 4 S- 0 0 13 1,-0.1 -2,-0.1 32,-0.1 215,-0.1 0.805 89.8-148.3 -69.0 -25.6 1.2 -38.2 10.1 27 27 A Q < + 0 0 116 -4,-1.3 -3,-0.1 1,-0.2 -1,-0.1 0.473 46.9 140.3 72.1 1.8 -0.3 -41.2 11.8 28 28 A R S S- 0 0 73 1,-0.1 -5,-2.4 -6,-0.1 2,-0.5 -0.174 70.9 -78.2 -62.6 170.7 3.1 -42.9 12.0 29 29 A E B -C 22 0B 168 -7,-0.2 -7,-0.3 -3,-0.1 -1,-0.1 -0.648 54.0-117.7 -77.6 123.0 3.6 -44.7 15.3 30 30 A L - 0 0 6 -9,-6.4 4,-0.1 -2,-0.5 -1,-0.1 -0.027 44.7 -76.8 -49.6 159.3 4.4 -42.1 18.0 31 31 A N - 0 0 80 2,-0.2 6,-0.2 1,-0.1 -1,-0.2 -0.419 39.0-124.4 -61.7 137.1 7.8 -42.4 19.6 32 32 A P S S+ 0 0 116 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.670 99.9 81.0 -55.8 -23.4 7.8 -45.3 22.2 33 33 A D S >> S- 0 0 92 1,-0.2 4,-1.1 2,-0.0 3,-1.0 -0.812 73.6-160.8 -86.7 102.9 8.9 -42.7 24.8 34 34 A V G >4 S+ 0 0 19 -2,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.963 87.5 48.9 -51.0 -57.5 5.6 -41.2 25.6 35 35 A Q G 34 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.663 98.2 70.0 -58.8 -19.8 7.1 -38.0 27.1 36 36 A A G <4 S+ 0 0 45 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.921 85.2 86.4 -63.5 -40.7 9.3 -37.6 24.0 37 37 A N S << S- 0 0 5 -3,-1.4 2,-0.4 -4,-1.1 21,-0.2 -0.129 86.7-107.7 -60.7 153.5 6.3 -36.7 21.9 38 38 A H E -D 57 0C 64 19,-2.1 19,-3.3 -26,-0.0 2,-1.0 -0.717 15.2-147.8 -90.5 128.8 4.9 -33.2 21.7 39 39 A L E -D 56 0C 8 -2,-0.4 17,-0.2 17,-0.2 2,-0.1 -0.810 28.7-150.6 -92.8 101.4 1.7 -32.2 23.4 40 40 A D E +D 55 0C 7 15,-1.7 14,-1.3 -2,-1.0 15,-0.9 -0.321 18.8 179.8 -78.1 153.9 0.4 -29.6 21.0 41 41 A H E -D 53 0C 8 12,-0.3 2,-0.3 13,-0.2 12,-0.2 -0.993 37.9 -98.4-149.5 145.4 -1.8 -26.6 21.9 42 42 A D - 0 0 21 10,-2.4 9,-1.0 -2,-0.3 221,-0.2 -0.491 26.5-146.5 -64.3 126.8 -3.4 -23.8 20.0 43 43 A H + 0 0 108 -2,-0.3 -1,-0.2 7,-0.1 7,-0.1 0.382 57.7 130.2 -76.9 7.8 -1.2 -20.7 20.4 44 44 A E - 0 0 80 1,-0.1 7,-1.3 8,-0.1 3,-0.1 -0.203 41.0-170.5 -59.5 152.9 -4.3 -18.7 20.3 45 45 A L + 0 0 31 1,-0.2 2,-0.4 5,-0.2 -1,-0.1 0.706 67.0 54.5-113.3 -38.1 -4.7 -16.1 23.0 46 46 A N S S+ 0 0 97 3,-0.0 -1,-0.2 2,-0.0 3,-0.2 -0.848 92.0 24.3-105.7 132.3 -8.3 -14.9 22.5 47 47 A G S S- 0 0 54 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.676 96.5 -56.7 122.0-175.8 -11.3 -17.2 22.3 48 48 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.520 130.7 50.6 -82.8 -12.9 -12.7 -20.6 23.4 49 49 A K S > S+ 0 0 75 -3,-0.2 3,-2.2 210,-0.1 -7,-0.3 0.725 80.5 121.1 -97.8 -30.2 -9.8 -22.3 21.7 50 50 A A T 3 S- 0 0 6 1,-0.3 -5,-0.2 -4,-0.1 -7,-0.1 0.033 88.2 -3.9 -41.1 138.1 -7.0 -20.3 23.2 51 51 A G T 3 S+ 0 0 0 -7,-1.3 212,-2.2 -9,-1.0 -1,-0.3 0.336 97.0 144.3 58.9 -7.8 -4.4 -22.3 25.2 52 52 A K B < -B 262 0A 31 -3,-2.2 -10,-2.4 210,-0.2 2,-0.4 -0.378 54.6-117.3 -67.1 137.6 -6.5 -25.4 24.6 53 53 A V E -D 41 0C 0 208,-2.6 -12,-0.3 -12,-0.2 208,-0.1 -0.608 22.7-166.9 -75.6 123.7 -4.6 -28.7 24.1 54 54 A R E - 0 0 20 -14,-1.3 -13,-0.2 -2,-0.4 2,-0.2 0.486 50.2 -80.0 -92.8 -5.1 -5.2 -30.1 20.6 55 55 A G E -D 40 0C 1 -15,-0.9 -15,-1.7 202,-0.1 2,-0.5 -0.548 54.6 -57.5 128.1 165.4 -3.7 -33.6 21.1 56 56 A L E +D 39 0C 0 -17,-0.2 -32,-1.0 -2,-0.2 2,-0.3 -0.720 55.2 179.2 -88.4 128.5 -0.4 -35.6 21.2 57 57 A L E -D 38 0C 0 -19,-3.3 -19,-2.1 -2,-0.5 2,-0.2 -0.875 32.1-101.5-128.2 157.5 1.8 -35.3 18.1 58 58 A C > - 0 0 6 -2,-0.3 4,-2.3 -21,-0.2 5,-0.3 -0.480 44.2-105.1 -73.8 146.5 5.1 -36.6 16.9 59 59 A N H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.776 117.1 49.6 -40.8 -39.5 7.9 -34.1 17.1 60 60 A L H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 3,-0.2 0.988 110.3 44.4 -70.3 -58.4 7.8 -33.6 13.3 61 61 A C H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.911 111.2 55.2 -55.0 -44.0 4.2 -33.0 12.7 62 62 A D H X S+ 0 0 34 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.924 114.6 39.2 -55.4 -46.6 3.9 -30.6 15.6 63 63 A A H X S+ 0 0 55 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.3 0.776 112.5 59.1 -73.2 -26.5 6.7 -28.5 14.3 64 64 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 99.6 55.1 -69.9 -40.9 5.4 -28.9 10.8 65 65 A E H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.835 103.7 57.3 -61.6 -32.4 2.1 -27.4 11.6 66 66 A G H X S+ 0 0 29 -4,-0.9 4,-3.3 -5,-0.3 -1,-0.2 0.906 106.5 47.9 -65.7 -39.6 3.9 -24.4 12.8 67 67 A Q H X S+ 0 0 73 -4,-1.3 4,-3.6 2,-0.2 5,-0.3 0.957 110.6 50.6 -65.3 -49.4 5.6 -23.9 9.5 68 68 A M H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.973 116.4 41.0 -50.5 -60.6 2.4 -24.3 7.6 69 69 A K H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.965 114.4 52.8 -50.1 -60.0 0.6 -21.7 9.8 70 70 A H H X S+ 0 0 86 -4,-3.3 4,-2.6 1,-0.3 5,-0.3 0.885 107.6 51.1 -43.9 -53.3 3.6 -19.5 9.9 71 71 A K H X S+ 0 0 27 -4,-3.6 4,-1.0 1,-0.3 -1,-0.3 0.906 106.7 53.2 -56.2 -44.5 3.9 -19.4 6.1 72 72 A F H X S+ 0 0 0 -4,-2.2 4,-0.6 -3,-0.4 6,-0.4 0.904 110.1 49.9 -57.6 -39.8 0.3 -18.5 5.6 73 73 A N H >< S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.3 5,-0.4 0.997 116.2 39.2 -59.9 -59.9 0.9 -15.6 8.0 74 74 A R H 3< S+ 0 0 177 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.570 100.5 86.2 -64.8 -6.5 3.9 -14.5 6.1 75 75 A S H 3< S- 0 0 22 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.780 95.1-126.3 -68.6 -31.0 2.0 -15.4 2.9 76 76 A G S X< S+ 0 0 28 -3,-1.4 3,-0.6 -4,-0.6 4,-0.3 0.030 89.5 100.7 106.7 -29.4 0.1 -12.1 2.5 77 77 A L T 3 >S+ 0 0 0 -5,-0.3 5,-2.3 1,-0.2 3,-0.4 0.621 74.1 73.3 -63.5 -7.7 -3.4 -13.5 2.4 78 78 A K T > 5S+ 0 0 118 -5,-0.4 3,-1.7 -6,-0.4 -1,-0.2 0.957 90.1 51.4 -68.8 -54.7 -3.4 -12.4 6.0 79 79 A G T < 5S+ 0 0 63 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.483 107.2 58.5 -63.8 -1.4 -3.6 -8.7 5.2 80 80 A Q T 3 5S- 0 0 114 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.044 114.2-111.2-118.7 25.4 -6.6 -9.6 3.0 81 81 A G T < 5 + 0 0 76 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.776 60.2 157.7 54.4 31.1 -8.8 -11.2 5.6 82 82 A V < - 0 0 27 -5,-2.3 2,-0.4 -4,-0.1 -1,-0.2 -0.767 41.5-125.4 -88.6 129.0 -8.4 -14.7 4.2 83 83 A D > - 0 0 79 -2,-0.5 4,-4.4 1,-0.1 5,-0.4 -0.577 8.2-144.0 -77.5 126.9 -9.1 -17.3 6.9 84 84 A Y H > S+ 0 0 27 -2,-0.4 4,-4.2 1,-0.2 5,-0.4 0.966 100.3 41.7 -50.3 -66.7 -6.4 -19.9 7.4 85 85 A L H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 119.3 46.9 -52.2 -41.6 -8.7 -22.9 8.1 86 86 A E H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.964 118.0 40.9 -64.7 -50.4 -11.0 -21.8 5.3 87 87 A W H X S+ 0 0 1 -4,-4.4 4,-2.7 2,-0.2 -2,-0.2 0.915 111.4 55.4 -63.2 -47.8 -8.2 -21.2 2.8 88 88 A L H X S+ 0 0 1 -4,-4.2 4,-2.5 -5,-0.4 5,-0.2 0.942 106.5 53.8 -50.8 -46.4 -6.3 -24.2 3.8 89 89 A E H X S+ 0 0 80 -4,-2.0 4,-1.8 -5,-0.4 -1,-0.2 0.903 107.4 48.9 -54.6 -48.0 -9.5 -26.2 3.1 90 90 A N H X S+ 0 0 34 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.907 110.4 52.9 -61.2 -40.2 -9.7 -24.7 -0.4 91 91 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.964 105.3 51.5 -59.0 -55.5 -6.1 -25.6 -1.0 92 92 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.883 112.4 48.9 -49.4 -39.9 -6.5 -29.3 -0.0 93 93 A T H X S+ 0 0 95 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.934 109.5 51.3 -64.1 -48.0 -9.3 -29.4 -2.5 94 94 A Y H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.4 43.7 -54.0 -49.4 -7.3 -27.8 -5.2 95 95 A L H < S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.9 50.6 -69.2 -41.2 -4.5 -30.3 -4.7 96 96 A K H < S+ 0 0 105 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.765 88.8 111.0 -69.2 -21.9 -6.7 -33.4 -4.5 97 97 A S S < S- 0 0 48 -4,-1.8 2,-0.7 -5,-0.2 -3,-0.0 0.014 79.4-108.6 -49.0 158.8 -8.4 -32.3 -7.6 98 98 A D + 0 0 138 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.846 56.5 144.4 -96.6 110.2 -7.8 -34.4 -10.7 99 99 A Y > + 0 0 12 -2,-0.7 3,-2.6 -4,-0.2 -1,-0.1 0.287 31.1 116.1-127.4 7.5 -5.7 -32.6 -13.2 100 100 A T T 3 S+ 0 0 23 1,-0.3 -1,-0.1 110,-0.1 111,-0.1 0.800 76.7 54.1 -47.8 -36.0 -3.7 -35.5 -14.6 101 101 A Q T 3 S+ 0 0 174 109,-0.1 -1,-0.3 -3,-0.0 106,-0.1 0.185 89.3 104.6 -89.8 18.9 -5.2 -34.9 -18.0 102 102 A N S < S- 0 0 54 -3,-2.6 110,-0.1 1,-0.2 -3,-0.0 -0.164 78.3 -77.8 -88.1-172.9 -4.3 -31.3 -18.3 103 103 A N - 0 0 23 1,-0.1 108,-1.0 107,-0.1 2,-0.4 0.034 48.2-102.0 -72.8-171.2 -1.6 -29.7 -20.4 104 104 A I B -eF 160 210D 9 55,-2.5 57,-2.5 106,-0.2 106,-0.2 -0.959 25.3-125.1-119.6 132.0 2.1 -29.6 -19.6 105 105 A H > - 0 0 16 104,-2.7 3,-0.9 -2,-0.4 4,-0.3 -0.450 22.9-121.9 -73.1 148.9 3.9 -26.7 -18.1 106 106 A P T >> S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.747 106.9 64.3 -58.7 -31.4 7.0 -25.5 -20.1 107 107 A N H 3> S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.815 80.1 79.4 -67.6 -30.2 9.4 -26.0 -17.1 108 108 A F H <> S+ 0 0 17 -3,-0.9 4,-2.3 101,-0.2 5,-0.3 0.834 90.0 58.1 -47.4 -35.9 8.8 -29.8 -17.0 109 109 A V H <> S+ 0 0 2 -3,-0.9 4,-1.8 -4,-0.3 3,-0.3 0.992 111.4 36.2 -58.0 -65.8 11.3 -30.0 -19.9 110 110 A G H X S+ 0 0 22 -4,-0.6 4,-3.0 1,-0.2 -2,-0.2 0.863 118.8 52.5 -57.8 -36.4 14.2 -28.3 -18.2 111 111 A D H X S+ 0 0 56 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.815 106.8 49.0 -73.6 -33.5 13.3 -29.9 -14.8 112 112 A K H X S+ 0 0 13 -4,-2.3 4,-1.0 -3,-0.3 -1,-0.2 0.865 115.7 47.9 -71.2 -30.7 13.1 -33.5 -16.0 113 113 A S H >X S+ 0 0 1 -4,-1.8 4,-2.8 -5,-0.3 3,-0.5 0.926 104.0 57.1 -70.7 -48.2 16.5 -32.8 -17.6 114 114 A K H 3X S+ 0 0 146 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.857 110.1 47.6 -50.1 -36.0 18.0 -31.2 -14.5 115 115 A E H 3< S+ 0 0 75 -4,-1.3 -1,-0.3 2,-0.2 3,-0.3 0.779 108.3 55.6 -74.8 -29.6 17.1 -34.6 -12.9 116 116 A F H X< S+ 0 0 3 -4,-1.0 3,-1.5 -3,-0.5 -2,-0.2 0.937 99.1 59.2 -68.6 -45.8 18.6 -36.4 -15.9 117 117 A S H 3< S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.740 94.5 66.5 -55.7 -25.9 22.0 -34.6 -15.5 118 118 A R T 3< S+ 0 0 233 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.3 0.137 88.7 95.1 -84.7 21.5 22.2 -36.1 -11.9 119 119 A L S < S- 0 0 49 -3,-1.5 2,-0.1 1,-0.0 -3,-0.0 -0.771 82.3-101.0-112.9 157.7 22.5 -39.6 -13.3 120 120 A G > - 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0 0 23 -14,-2.7 2,-0.3 1,-0.4 -13,-0.2 0.639 50.1 -79.0-103.0 -19.0 -3.1 -27.3 -11.9 213 55 B G E -H 198 0F 0 -15,-1.4 -15,-2.0 2,-0.0 2,-0.5 -0.962 53.1 -53.5 152.4-169.0 -4.8 -24.0 -12.6 214 56 B L E -H 197 0F 0 -2,-0.3 -32,-0.9 -17,-0.2 2,-0.3 -0.948 53.6-178.3-111.0 120.2 -4.7 -20.2 -12.5 215 57 B L E -H 196 0F 0 -19,-4.1 -19,-3.0 -2,-0.5 2,-0.1 -0.880 35.1-101.8-124.9 151.6 -3.9 -18.6 -9.1 216 58 B C > - 0 0 3 -2,-0.3 4,-2.3 -21,-0.2 5,-0.2 -0.439 46.5-109.8 -62.2 138.1 -3.6 -15.2 -7.6 217 59 B N H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.755 119.2 53.2 -43.8 -23.9 0.1 -14.5 -7.3 218 60 B L H > S+ 0 0 38 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.964 106.6 44.8 -78.6 -57.0 -0.5 -14.9 -3.5 219 61 B C H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 113.6 55.0 -56.1 -37.9 -2.2 -18.2 -3.3 220 62 B D H X S+ 0 0 36 -4,-2.3 4,-1.5 1,-0.2 3,-0.3 0.965 110.4 39.5 -62.5 -56.8 0.3 -19.6 -5.7 221 63 B A H X S+ 0 0 51 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.832 111.1 61.5 -62.1 -31.7 3.6 -18.8 -3.8 222 64 B A H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.945 100.0 54.4 -57.3 -47.3 1.8 -19.6 -0.6 223 65 B E H X S+ 0 0 10 -4,-2.0 4,-3.0 -3,-0.3 -1,-0.2 0.922 106.6 52.5 -51.6 -50.3 1.4 -23.2 -1.9 224 66 B G H X S+ 0 0 29 -4,-1.5 4,-3.9 1,-0.2 5,-0.3 0.953 107.0 48.1 -52.4 -62.3 5.1 -23.4 -2.5 225 67 B Q H X S+ 0 0 88 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.893 112.6 53.5 -47.6 -42.8 6.3 -22.4 0.9 226 68 B M H X S+ 0 0 1 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.975 115.5 37.3 -52.3 -62.5 3.7 -24.9 2.2 227 69 B K H >X S+ 0 0 49 -4,-3.0 4,-2.4 1,-0.2 3,-1.0 0.969 115.4 54.4 -54.8 -59.1 5.2 -27.7 0.1 228 70 B H H 3X S+ 0 0 82 -4,-3.9 4,-1.9 1,-0.3 -1,-0.2 0.863 108.3 49.4 -46.7 -44.0 8.8 -26.6 0.5 229 71 B K H 3< S+ 0 0 33 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.848 108.2 53.1 -70.2 -28.1 8.4 -26.6 4.3 230 72 B F H XX>S+ 0 0 2 -4,-1.5 3,-1.7 -3,-1.0 6,-0.7 0.945 106.8 54.4 -67.4 -44.1 6.9 -30.1 4.3 231 73 B N H ><5S+ 0 0 47 -4,-2.4 3,-1.0 1,-0.3 5,-0.3 0.946 114.8 36.3 -53.3 -58.1 9.8 -31.4 2.3 232 74 B R T 3<5S+ 0 0 171 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.212 97.6 88.3 -85.0 21.3 12.5 -30.2 4.6 233 75 B S T <45S- 0 0 28 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.727 100.9-116.3 -86.8 -25.9 10.4 -30.9 7.6 234 76 B G T 4XS+ 0 0 0 -5,-0.6 5,-1.2 2,-0.2 3,-0.6 0.919 74.8 61.7 -71.7 -40.5 8.3 -36.2 7.1 236 78 B K G >45S+ 0 0 128 -6,-0.7 3,-1.6 -5,-0.3 -1,-0.2 0.900 101.1 56.4 -49.7 -42.4 9.3 -36.9 3.5 237 79 B G G 345S+ 0 0 64 1,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 0.880 101.7 52.2 -57.6 -45.2 12.1 -38.9 4.9 238 80 B Q G <<5S- 0 0 111 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.108 124.9-109.4 -80.4 25.6 9.8 -41.1 6.9 239 81 B G T < 5 + 0 0 66 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.887 62.0 159.6 50.3 53.6 8.1 -41.6 3.6 240 82 B V < - 0 0 24 -5,-1.2 2,-0.5 4,-0.0 -1,-0.2 -0.852 40.1-119.9-104.7 142.0 4.9 -39.6 4.3 241 83 B D > - 0 0 79 -2,-0.4 4,-3.6 1,-0.1 5,-0.2 -0.685 9.9-142.9 -86.7 128.7 2.7 -38.2 1.5 242 84 B Y H > S+ 0 0 23 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.952 100.4 46.3 -48.1 -62.2 2.3 -34.5 1.4 243 85 B L H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 115.2 46.6 -47.6 -57.1 -1.3 -34.7 0.2 244 86 B E H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.947 114.5 46.4 -54.0 -51.0 -2.2 -37.3 2.7 245 87 B W H X S+ 0 0 1 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.970 110.3 53.1 -53.7 -59.1 -0.5 -35.5 5.6 246 88 B L H X S+ 0 0 2 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.826 109.3 49.9 -45.6 -44.0 -2.1 -32.1 4.6 247 89 B E H X S+ 0 0 69 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.984 110.2 46.9 -63.1 -57.6 -5.5 -33.6 4.7 248 90 B N H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.725 110.4 59.7 -56.4 -20.3 -5.2 -35.3 8.0 249 91 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.992 103.6 45.0 -68.3 -62.4 -3.8 -32.0 9.1 250 92 B L H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.820 112.1 56.1 -49.0 -36.0 -6.9 -29.9 8.2 251 93 B T H X S+ 0 0 86 -4,-2.2 4,-1.5 2,-0.2 -1,-0.3 0.978 109.7 44.2 -58.9 -56.2 -8.9 -32.7 9.9 252 94 B Y H < S+ 0 0 10 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.912 115.8 47.0 -53.6 -51.3 -6.9 -32.2 13.1 253 95 B L H < S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.2 4,-0.2 0.862 113.5 47.7 -63.0 -39.5 -7.1 -28.4 13.0 254 96 B K H < S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.706 89.7 107.8 -75.8 -20.2 -10.8 -28.4 12.3 255 97 B S S < S- 0 0 53 -4,-1.5 2,-1.5 -3,-0.4 -3,-0.0 -0.165 84.0-103.7 -57.8 154.4 -11.5 -30.9 15.1 256 98 B D > + 0 0 122 1,-0.1 3,-0.5 2,-0.0 2,-0.2 -0.592 49.4 160.6 -86.3 83.7 -13.3 -29.5 18.2 257 99 B Y T 3 + 0 0 9 -2,-1.5 3,-0.5 -4,-0.2 -1,-0.1 -0.182 41.9 113.1 -92.6 42.9 -10.6 -29.3 20.8 258 100 B T T 3 + 0 0 32 -2,-0.2 -1,-0.2 1,-0.2 -205,-0.0 0.825 69.0 50.3 -83.1 -36.6 -12.8 -26.8 22.7 259 101 B Q S < S+ 0 0 164 -3,-0.5 -1,-0.2 -207,-0.0 2,-0.1 -0.121 93.1 99.2 -97.2 38.4 -13.6 -28.9 25.8 260 102 B N S S- 0 0 51 -3,-0.5 2,-0.1 1,-0.1 -206,-0.1 -0.365 75.1 -78.1-108.6-168.3 -10.0 -29.8 26.6 261 103 B N - 0 0 33 -2,-0.1 -208,-2.6 -208,-0.1 2,-0.3 -0.423 40.0-103.9 -93.3 168.6 -7.4 -28.5 29.0 262 104 B I B -aB 2 52A 14 -261,-1.9 -259,-2.3 -210,-0.2 -210,-0.2 -0.646 29.9-123.5 -90.0 143.1 -5.2 -25.4 29.0 263 105 B H > - 0 0 12 -212,-2.2 3,-1.4 -2,-0.3 4,-0.5 -0.718 21.1-124.1 -85.1 132.3 -1.5 -25.7 28.2 264 106 B P T >> S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.846 108.3 67.7 -46.2 -32.9 0.7 -24.3 31.0 265 107 B N H 3> S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.919 80.4 76.0 -53.0 -46.8 2.3 -22.1 28.4 266 108 B F H <> S+ 0 0 21 -3,-1.4 4,-2.7 1,-0.2 5,-0.3 0.751 90.3 57.5 -36.6 -39.7 -0.9 -20.0 28.0 267 109 B V H <> S+ 0 0 3 -3,-1.3 4,-3.1 -4,-0.5 3,-0.4 0.995 112.9 35.5 -60.1 -65.3 -0.3 -18.2 31.2 268 110 B G H X S+ 0 0 31 -4,-0.6 4,-0.9 -3,-0.3 -2,-0.2 0.899 119.8 51.7 -54.3 -42.0 3.1 -16.8 30.4 269 111 B D H X S+ 0 0 60 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.834 112.8 44.9 -65.4 -34.0 2.0 -16.3 26.8 270 112 B K H X S+ 0 0 5 -4,-2.7 4,-2.1 -3,-0.4 5,-0.2 0.890 109.9 54.0 -75.6 -40.7 -1.1 -14.5 27.8 271 113 B S H X S+ 0 0 3 -4,-3.1 4,-1.0 -5,-0.3 -2,-0.2 0.717 105.5 58.7 -63.8 -18.0 0.8 -12.4 30.3 272 114 B K H X S+ 0 0 120 -4,-0.9 4,-0.8 -5,-0.3 -1,-0.2 0.923 103.4 46.9 -77.6 -48.0 3.0 -11.6 27.4 273 115 B E H >< S+ 0 0 57 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.967 116.4 46.5 -53.8 -53.7 0.3 -10.0 25.2 274 116 B F H >< S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.805 103.7 64.4 -59.0 -32.2 -0.8 -8.1 28.3 275 117 B S H 3< S+ 0 0 42 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.717 93.2 61.4 -68.2 -20.5 2.8 -7.2 28.9 276 118 B R T << S+ 0 0 167 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.1 0.044 94.8 93.6 -94.4 29.9 3.0 -5.2 25.7 277 119 B L S < S- 0 0 71 -3,-1.2 2,-0.3 1,-0.0 -3,-0.0 -0.395 78.2 -92.3-110.5-173.3 0.3 -2.9 26.9 278 120 B G > - 0 0 14 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.790 34.5-113.1-104.3 146.9 -0.2 0.5 28.7 279 121 B K H > S+ 0 0 85 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.850 118.0 44.5 -43.4 -44.8 -0.6 1.0 32.4 280 122 B E H > S+ 0 0 134 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.989 112.8 46.5 -64.7 -63.7 -4.1 2.2 31.9 281 123 B E H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.769 111.9 58.0 -51.1 -27.8 -5.3 -0.5 29.4 282 124 B M H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 3,-0.4 0.996 108.2 41.1 -64.9 -65.4 -3.7 -2.9 31.8 283 125 B M H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.895 111.0 59.7 -48.8 -47.1 -5.8 -1.8 34.8 284 126 B A H X S+ 0 0 48 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.923 109.2 42.0 -48.7 -53.0 -8.8 -1.7 32.5 285 127 B E H X S+ 0 0 59 -4,-1.8 4,-2.5 -3,-0.4 5,-0.3 0.952 112.2 53.6 -61.1 -49.2 -8.5 -5.3 31.6 286 128 B M H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.830 109.6 50.7 -56.9 -28.5 -7.7 -6.3 35.2 287 129 B L H ><5S+ 0 0 102 -4,-2.6 3,-2.5 -5,-0.3 -2,-0.2 0.984 107.3 52.2 -67.2 -57.7 -10.9 -4.5 36.0 288 130 B Q H 3<5S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.816 114.8 42.2 -45.2 -40.9 -12.9 -6.4 33.4 289 131 B R T 3<5S- 0 0 91 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.487 112.5-120.8 -90.2 -3.5 -11.6 -9.7 34.8 290 132 B G T < 5 + 0 0 57 -3,-2.5 -3,-0.2 -4,-0.4 -2,-0.1 0.670 57.5 151.4 76.8 16.3 -12.1 -8.6 38.4 291 133 B F < - 0 0 20 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.357 40.3-124.7 -73.5 163.8 -8.5 -9.0 39.5 292 134 B E + 0 0 148 13,-0.1 2,-0.2 -2,-0.0 17,-0.1 -0.805 42.7 133.1-112.1 154.2 -7.2 -6.8 42.3 293 135 B Y - 0 0 46 -2,-0.3 2,-0.3 12,-0.0 3,-0.0 -0.833 43.5 -99.7-165.1-155.8 -4.2 -4.4 42.3 294 136 B N > - 0 0 98 -2,-0.2 3,-1.9 1,-0.1 -11,-0.0 -0.970 16.6-131.2-155.2 134.8 -3.1 -0.8 43.2 295 137 B E T 3 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.3 -12,-0.0 0.770 106.3 63.1 -55.2 -31.4 -2.5 2.4 41.2 296 138 B S T 3 S+ 0 0 105 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.725 80.3 111.1 -67.2 -24.3 0.9 2.9 42.8 297 139 B D < - 0 0 28 -3,-1.9 5,-0.0 1,-0.1 -3,-0.0 -0.298 69.7-124.8 -64.0 130.2 2.2 -0.4 41.2 298 140 B T >> - 0 0 73 1,-0.1 4,-1.7 -2,-0.1 3,-0.7 -0.268 31.5-107.1 -63.7 156.3 4.9 -0.2 38.5 299 141 B K H 3> S+ 0 0 91 1,-0.2 4,-3.8 2,-0.2 3,-0.5 0.935 119.4 61.6 -56.8 -44.6 3.9 -2.1 35.3 300 142 B T H 3> S+ 0 0 98 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.873 106.9 45.3 -46.9 -43.2 6.3 -4.9 36.1 301 143 B Q H <> S+ 0 0 99 -3,-0.7 4,-2.8 2,-0.2 -1,-0.3 0.825 112.1 52.4 -70.3 -33.2 4.3 -5.6 39.3 302 144 B L H X S+ 0 0 2 -4,-1.7 4,-3.5 -3,-0.5 5,-0.3 0.958 111.1 46.5 -65.3 -49.0 1.1 -5.3 37.3 303 145 B I H X S+ 0 0 22 -4,-3.8 4,-2.8 1,-0.2 -2,-0.2 0.984 114.3 47.8 -52.6 -61.0 2.5 -7.8 34.8 304 146 B A H X S+ 0 0 55 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.832 114.5 46.3 -49.1 -43.0 3.6 -10.0 37.6 305 147 B S H X S+ 0 0 36 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.954 109.6 52.4 -68.5 -49.1 0.3 -9.8 39.4 306 148 B F H X S+ 0 0 1 -4,-3.5 4,-3.2 1,-0.2 5,-0.3 0.919 110.7 51.2 -50.6 -44.8 -1.8 -10.3 36.3 307 149 B K H X S+ 0 0 82 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.965 112.3 43.2 -57.9 -56.7 0.2 -13.4 35.8 308 150 B K H X S+ 0 0 153 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.850 118.4 44.5 -61.6 -37.2 -0.2 -14.8 39.2 309 151 B Q H X S+ 0 0 45 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.927 111.9 50.5 -76.4 -42.1 -3.9 -14.0 39.4 310 152 B L H < S+ 0 0 8 -4,-3.2 4,-0.3 -5,-0.3 -2,-0.2 0.938 109.2 54.6 -57.0 -45.7 -4.7 -15.3 35.9 311 153 B R H >< S+ 0 0 122 -4,-2.6 3,-2.0 -5,-0.3 4,-0.2 0.960 111.1 42.5 -50.6 -59.8 -2.9 -18.5 36.8 312 154 B K H >< S+ 0 0 157 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.880 108.1 61.3 -56.0 -40.7 -5.1 -19.1 39.9 313 155 B S T 3< S+ 0 0 61 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.455 104.9 49.1 -69.3 0.3 -8.2 -18.1 38.0 314 156 B L T < 0 0 46 -3,-2.0 -312,-0.4 -4,-0.3 -1,-0.3 0.279 360.0 360.0-120.2 7.0 -7.6 -21.0 35.6 315 157 B K < 0 0 202 -3,-1.9 -312,-0.1 -4,-0.2 -3,-0.1 0.171 360.0 360.0 -35.6 360.0 -7.1 -23.7 38.2