==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-12 4AQX . COMPND 2 MOLECULE: DNA ENDONUCLEASE I-CREI; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR J.VALTON,F.DABOUSSI,S.LEDUC,P.REDONDO,R.MACMASTER,R.MOLINA,G . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.1 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 . 2 0.7 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 1 1 0 0 4 0 0 2 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 142 0, 0.0 80,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.6 -36.9 34.5 -34.5 2 3 A T - 0 0 80 59,-0.1 2,-0.5 1,-0.1 60,-0.0 -0.145 360.0-142.5 -62.1 133.2 -35.8 31.0 -33.7 3 4 A K - 0 0 168 86,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.824 19.5-149.7 -88.1 125.0 -36.3 29.3 -30.2 4 5 A Y - 0 0 10 -2,-0.5 2,-0.1 82,-0.0 57,-0.0 -0.816 19.3-111.1 -99.1 138.2 -33.3 27.2 -29.3 5 6 A N > - 0 0 115 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.399 22.4-128.0 -63.4 141.2 -33.7 24.1 -27.1 6 7 A K H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.793 107.5 58.7 -63.6 -31.2 -32.2 24.5 -23.6 7 8 A E H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 107.4 48.1 -65.8 -39.6 -30.2 21.3 -23.9 8 9 A F H > S+ 0 0 24 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.933 112.8 47.9 -61.5 -47.7 -28.5 22.8 -27.0 9 10 A L H X S+ 0 0 7 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.858 108.4 53.7 -66.2 -38.3 -27.8 26.1 -25.2 10 11 A L H X S+ 0 0 11 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.968 115.4 39.3 -61.0 -54.8 -26.3 24.5 -22.1 11 12 A Y H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 3,-0.5 0.960 117.6 49.1 -57.4 -55.2 -23.8 22.5 -24.0 12 13 A L H X S+ 0 0 3 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.908 107.1 56.3 -54.3 -41.6 -23.0 25.3 -26.5 13 14 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 82,-0.3 0.878 109.5 46.0 -61.5 -37.0 -22.6 27.8 -23.6 14 15 A G H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.5 -1,-0.2 0.916 114.8 46.3 -70.5 -43.3 -19.9 25.5 -22.1 15 16 A F H X>S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.6 0.930 112.6 50.3 -63.7 -46.5 -18.1 24.9 -25.4 16 17 A V H X5S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.3 -2,-0.2 0.930 105.9 56.3 -56.9 -47.3 -18.3 28.7 -26.3 17 18 A D H <5S+ 0 0 1 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.793 117.3 37.3 -54.3 -34.6 -16.8 29.5 -22.9 18 19 A G H <5S+ 0 0 11 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.950 139.3 3.0 -79.7 -60.1 -13.9 27.2 -23.8 19 20 A D H <5S+ 0 0 48 -4,-2.9 26,-1.7 -5,-0.1 -3,-0.2 0.278 107.0 95.4-110.2 1.6 -13.1 27.7 -27.5 20 21 A G E << -A 44 0A 4 -4,-2.3 2,-0.4 -5,-0.6 24,-0.3 -0.509 55.5-150.5 -97.6 165.3 -15.5 30.4 -28.6 21 22 A S E -A 43 0A 30 22,-3.1 22,-2.4 -2,-0.2 2,-0.6 -0.996 9.0-155.5-142.2 136.3 -15.0 34.1 -28.8 22 23 A I E -A 42 0A 1 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.929 28.6-168.7-111.9 111.3 -17.3 37.1 -28.5 23 24 A I E -A 41 0A 33 18,-3.2 18,-3.0 -2,-0.6 2,-0.4 -0.868 22.6-177.4-121.7 125.6 -15.8 40.0 -30.4 24 25 A A E -A 40 0A 7 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.976 21.3-179.3-115.7 129.9 -16.5 43.7 -30.7 25 26 A Q E -A 39 0A 77 14,-3.2 14,-3.7 -2,-0.4 2,-0.6 -0.968 29.1-153.1-137.5 143.8 -14.4 45.7 -33.1 26 27 A I E -A 38 0A 7 116,-0.5 12,-0.2 -2,-0.4 116,-0.2 -0.955 24.2-168.3-113.2 110.3 -13.9 49.2 -34.5 27 28 A K E -A 37 0A 83 10,-3.2 10,-3.4 -2,-0.6 2,-0.2 -0.884 20.4-128.1-106.4 118.6 -12.5 49.0 -38.0 28 29 A P E +A 36 0A 83 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.454 40.1 159.7 -63.2 126.7 -11.2 52.2 -39.7 29 30 A N > - 0 0 75 6,-1.0 3,-1.4 -2,-0.2 6,-0.1 -0.918 35.6-148.5-146.1 128.8 -12.9 52.6 -43.0 30 31 A Q T 3 S+ 0 0 146 -2,-0.3 5,-0.1 1,-0.3 6,-0.1 0.654 93.6 69.0 -73.1 -14.8 -12.9 56.0 -44.9 31 32 A S T 3 S+ 0 0 99 4,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.597 85.8 91.9 -76.8 -10.3 -16.3 55.3 -46.5 32 33 A Y S X S- 0 0 87 -3,-1.4 3,-1.2 1,-0.1 -3,-0.1 -0.639 82.4-126.1 -92.7 144.9 -17.9 55.5 -43.1 33 34 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.3 82,-0.0 0.936 116.7 32.2 -47.1 -60.3 -19.4 58.7 -41.6 34 35 A F T 3 S- 0 0 19 2,-0.3 -1,-0.3 1,-0.0 3,-0.1 0.345 116.6-116.3 -83.5 6.2 -17.3 58.4 -38.4 35 36 A K S < S+ 0 0 91 -3,-1.2 -6,-1.0 1,-0.1 2,-0.3 0.695 87.5 80.0 68.3 22.0 -14.6 56.8 -40.5 36 37 A H E -A 28 0A 8 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.982 69.7-134.4-151.8 146.7 -14.8 53.5 -38.6 37 38 A Q E -A 27 0A 64 -10,-3.4 -10,-3.2 -2,-0.3 2,-0.7 -0.864 14.4-137.9-100.2 137.7 -17.1 50.5 -38.7 38 39 A L E -A 26 0A 23 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.869 30.0-171.2 -87.3 120.2 -18.5 48.9 -35.5 39 40 A S E -A 25 0A 13 -14,-3.7 -14,-3.2 -2,-0.7 2,-0.4 -0.926 10.8-169.0-116.3 141.0 -18.2 45.2 -36.1 40 41 A L E +A 24 0A 9 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.993 9.2 178.4-131.8 127.5 -19.6 42.4 -33.9 41 42 A T E -A 23 0A 18 -18,-3.0 -18,-3.2 -2,-0.4 2,-0.5 -0.991 20.7-164.5-133.2 136.3 -18.8 38.7 -34.2 42 43 A F E +AB 22 77A 0 35,-2.6 35,-3.0 -2,-0.4 2,-0.3 -0.982 30.2 171.8-105.1 126.7 -19.7 35.5 -32.4 43 44 A Q E -AB 21 76A 32 -22,-2.4 -22,-3.1 -2,-0.5 2,-0.4 -0.979 30.1-160.4-137.6 151.1 -17.3 32.7 -33.3 44 45 A V E -AB 20 75A 0 31,-1.8 31,-3.2 -2,-0.3 2,-0.4 -0.995 21.2-154.0-124.9 122.7 -16.4 29.1 -32.4 45 46 A T E + B 0 74A 31 -26,-1.7 2,-0.3 -2,-0.4 29,-0.2 -0.763 20.8 162.6-100.0 139.9 -13.0 28.0 -33.5 46 47 A Q E - B 0 73A 10 27,-2.7 27,-2.8 -2,-0.4 -2,-0.0 -0.970 44.8 -91.0-155.0 146.3 -12.1 24.4 -34.1 47 48 A K E > - B 0 72A 75 -2,-0.3 3,-1.8 25,-0.2 25,-0.3 -0.186 42.0-120.2 -50.3 140.2 -9.4 22.3 -35.8 48 49 A T G > S+ 0 0 36 23,-2.1 3,-2.1 1,-0.3 4,-0.2 0.796 111.1 66.1 -65.8 -27.1 -10.4 21.6 -39.4 49 50 A Q G 3 S+ 0 0 122 22,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.793 106.6 46.2 -61.5 -25.0 -10.3 17.8 -39.0 50 51 A R G X> S+ 0 0 45 -3,-1.8 3,-1.8 1,-0.2 4,-0.7 0.116 75.9 122.4 -97.6 12.7 -13.3 18.5 -36.6 51 52 A R H X> + 0 0 81 -3,-2.1 4,-2.5 1,-0.3 3,-0.8 0.791 59.0 71.9 -49.1 -33.8 -15.0 20.9 -39.0 52 53 A W H 3> S+ 0 0 123 -3,-0.3 4,-2.9 1,-0.3 -1,-0.3 0.854 92.3 58.0 -51.5 -37.9 -18.2 18.7 -39.0 53 54 A F H <> S+ 0 0 15 -3,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.908 109.1 44.5 -60.0 -40.6 -18.9 20.0 -35.5 54 55 A L H -C 72 0A 115 3,-3.0 3,-2.0 -2,-0.5 -21,-0.1 -0.735 60.7 -82.5-129.3 99.7 -8.0 28.9 -42.5 70 71 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -2,-0.2 -22,-0.0 -0.298 112.6 2.7 50.5-126.7 -5.7 26.0 -43.1 71 72 A S T 3 S+ 0 0 95 -3,-0.1 -23,-2.1 -24,-0.1 -22,-0.4 0.441 130.6 60.6 -70.4 -3.5 -5.5 23.6 -40.2 72 73 A V E < -BC 47 69A 39 -3,-2.0 -3,-3.0 -25,-0.3 2,-0.3 -0.957 60.4-172.3-130.4 147.9 -8.2 25.6 -38.4 73 74 A S E -BC 46 68A 0 -27,-2.8 -27,-2.7 -2,-0.3 2,-0.4 -0.869 7.2-152.9-129.4 167.9 -11.8 26.6 -39.0 74 75 A D E -BC 45 67A 0 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.5 -0.998 17.0-135.7-141.7 138.2 -14.4 28.9 -37.4 75 76 A Y E -BC 44 66A 0 -31,-3.2 -31,-1.8 -2,-0.4 2,-0.4 -0.807 34.5-162.1 -79.3 134.1 -18.1 29.1 -37.1 76 77 A I E -BC 43 65A 13 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.4 -0.982 18.3-178.8-125.3 126.4 -18.9 32.8 -37.7 77 78 A L E +B 42 0A 1 -35,-3.0 -35,-2.6 -2,-0.4 -2,-0.0 -0.970 22.1 143.5-127.2 120.4 -22.1 34.7 -36.8 78 79 A S + 0 0 45 -2,-0.4 -38,-0.2 -37,-0.2 -1,-0.1 0.716 29.5 107.6-123.1 -49.7 -22.2 38.3 -37.7 79 80 A E > - 0 0 135 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.228 65.4-136.5 -47.3 129.8 -25.7 39.5 -38.9 80 81 A I H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.843 93.6 50.6 -67.8 -42.4 -27.0 41.6 -36.0 81 82 A K H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.969 116.9 39.0 -62.2 -55.7 -30.6 40.4 -35.8 82 83 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 115.3 55.7 -60.9 -37.8 -29.8 36.6 -35.6 83 84 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.936 109.1 45.9 -60.8 -46.5 -26.8 37.5 -33.4 84 85 A H H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.935 113.1 49.0 -59.5 -49.9 -29.0 39.3 -30.9 85 86 A N H X S+ 0 0 23 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.878 116.8 43.4 -56.2 -41.9 -31.7 36.5 -30.8 86 87 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.914 114.6 45.5 -74.0 -47.4 -28.9 33.9 -30.3 87 88 A L H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.865 107.4 59.7 -67.1 -36.0 -26.8 35.7 -27.7 88 89 A T H < S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.934 111.9 40.6 -53.1 -46.0 -29.9 36.7 -25.7 89 90 A Q H < S+ 0 0 33 -4,-1.1 4,-0.2 -5,-0.2 -2,-0.2 0.797 119.5 43.5 -74.9 -33.6 -30.7 33.0 -25.4 90 91 A L H >X S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.1 4,-0.8 0.805 95.6 80.2 -82.0 -32.6 -27.1 31.8 -24.7 91 92 A Q G >< S+ 0 0 46 -4,-3.0 3,-1.3 1,-0.3 -2,-0.1 0.843 85.7 55.1 -45.0 -51.1 -26.2 34.6 -22.3 92 93 A P G 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.771 109.2 48.7 -63.0 -22.3 -27.9 33.2 -19.2 93 94 A F G <4 S+ 0 0 44 -3,-1.6 -2,-0.2 -4,-0.2 2,-0.1 0.598 90.7 100.3 -92.7 -10.2 -25.9 29.9 -19.5 94 95 A L << + 0 0 4 -3,-1.3 -80,-0.1 -4,-0.8 -81,-0.1 -0.400 38.7 172.7 -76.9 152.3 -22.5 31.5 -20.0 95 96 A K S S+ 0 0 87 -82,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.667 78.6 27.3-122.4 -58.2 -20.0 31.8 -17.1 96 97 A L S S+ 0 0 24 1,-0.1 3,-0.3 2,-0.1 4,-0.2 0.884 133.1 31.6 -77.7 -45.3 -16.7 33.0 -18.5 97 98 A K S > S+ 0 0 38 -84,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.248 87.0 103.5 -98.7 8.2 -17.9 35.0 -21.6 98 99 A Q H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.857 79.9 52.2 -62.7 -38.1 -21.3 36.2 -20.2 99 100 A K H > S+ 0 0 145 -3,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.948 110.0 49.9 -62.6 -47.3 -20.2 39.8 -19.5 100 101 A Q H > S+ 0 0 8 -4,-0.2 4,-2.2 1,-0.2 3,-0.4 0.929 110.6 50.9 -53.5 -47.5 -18.9 40.0 -23.1 101 102 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 108.0 50.1 -60.2 -48.6 -22.2 38.7 -24.4 102 103 A N H X S+ 0 0 70 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.768 109.5 52.8 -64.1 -25.8 -24.4 41.1 -22.5 103 104 A L H X S+ 0 0 23 -4,-1.5 4,-3.1 -3,-0.4 5,-0.2 0.926 105.8 53.1 -74.1 -46.7 -22.3 44.1 -23.7 104 105 A V H X S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.925 107.7 51.3 -50.4 -49.7 -22.7 43.0 -27.3 105 106 A L H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.930 111.2 49.2 -55.0 -44.6 -26.5 43.0 -26.9 106 107 A K H X S+ 0 0 116 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.950 111.2 47.8 -59.0 -51.7 -26.2 46.5 -25.4 107 108 A I H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.896 112.7 50.8 -55.6 -43.6 -24.0 47.7 -28.3 108 109 A I H >< S+ 0 0 15 -4,-3.1 3,-1.2 -5,-0.2 -2,-0.2 0.949 109.6 48.1 -58.6 -51.9 -26.5 46.2 -30.8 109 110 A E H 3< S+ 0 0 118 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.792 117.5 42.5 -63.5 -28.1 -29.6 47.8 -29.2 110 111 A Q H 3X S+ 0 0 63 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.3 0.467 86.1 101.1 -94.8 -2.4 -27.8 51.2 -29.2 111 112 A L H 4 S+ 0 0 85 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.959 112.5 49.6 -57.7 -46.9 -28.9 53.0 -34.5 113 114 A S H >> S+ 0 0 38 -4,-0.3 3,-0.8 1,-0.3 4,-0.8 0.709 103.2 62.6 -65.9 -20.4 -28.6 55.8 -31.9 114 115 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 7,-0.2 0.625 89.8 66.8 -82.4 -13.8 -24.8 55.7 -32.1 115 116 A K T << S+ 0 0 122 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.476 97.7 57.5 -84.4 -0.2 -24.8 56.8 -35.8 116 117 A E T <4 S+ 0 0 125 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.926 104.1 38.8 -85.3 -69.8 -26.2 60.2 -34.8 117 118 A S X - 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0 0 119 1,-0.2 4,-3.2 2,-0.0 5,-0.2 -0.558 57.8-148.0 -76.4 118.7 -8.9 9.0 -8.4 233 81 B I H > S+ 0 0 64 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.848 88.3 45.4 -64.3 -44.6 -10.2 6.0 -10.2 234 82 B K H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.963 119.5 40.5 -63.7 -54.2 -13.5 5.3 -8.3 235 83 B P H > S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.922 115.5 54.9 -57.2 -41.9 -14.7 9.0 -8.3 236 84 B L H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.878 107.2 48.4 -58.4 -42.0 -13.4 9.2 -11.9 237 85 B H H X S+ 0 0 49 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.959 113.4 47.2 -65.5 -49.2 -15.4 6.3 -13.0 238 86 B N H X S+ 0 0 20 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.887 115.2 45.9 -57.8 -43.2 -18.6 7.6 -11.4 239 87 B F H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 3,-0.4 0.963 115.1 44.1 -67.3 -52.5 -18.1 11.1 -12.8 240 88 B L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.820 106.5 61.1 -63.9 -34.9 -17.3 10.1 -16.4 241 89 B T H < S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.915 112.1 40.0 -56.5 -41.5 -20.1 7.6 -16.5 242 90 B Q H < S+ 0 0 34 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.762 120.2 43.4 -79.6 -27.3 -22.4 10.5 -15.9 243 91 B L H >X S+ 0 0 0 -4,-1.7 3,-2.7 1,-0.1 4,-0.6 0.899 95.0 78.7 -82.1 -41.5 -20.6 13.0 -18.2 244 92 B Q G >< S+ 0 0 38 -4,-3.0 3,-1.3 1,-0.3 -1,-0.1 0.744 85.2 56.7 -43.5 -46.8 -20.0 10.6 -21.2 245 93 B P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.705 108.8 49.7 -66.5 -15.5 -23.5 10.6 -22.8 246 94 B F G <4 S+ 0 0 44 -3,-2.7 2,-0.3 -4,-0.1 -2,-0.2 0.537 87.5 104.2 -94.1 -9.1 -23.3 14.5 -23.1 247 95 B L << + 0 0 4 -3,-1.3 -80,-0.1 -4,-0.6 -81,-0.0 -0.578 40.7 177.6 -78.2 128.6 -19.8 14.6 -24.7 248 96 B K S S+ 0 0 90 -2,-0.3 -1,-0.1 -82,-0.2 4,-0.1 0.736 81.9 22.8 -91.1 -42.6 -19.7 15.3 -28.5 249 97 B L S S+ 0 0 28 2,-0.1 3,-0.2 1,-0.1 4,-0.2 0.770 132.0 34.7 -91.0 -41.2 -16.0 15.3 -29.2 250 98 B K S > S+ 0 0 35 -84,-0.1 4,-2.4 1,-0.1 5,-0.2 0.150 80.6 109.3-102.1 10.0 -14.5 13.3 -26.3 251 99 B Q H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.871 80.0 49.0 -61.1 -39.0 -17.2 10.7 -25.7 252 100 B K H > S+ 0 0 145 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.905 110.3 51.4 -69.5 -40.1 -15.1 7.8 -27.1 253 101 B Q H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.961 108.8 51.6 -56.6 -49.7 -12.1 8.7 -25.0 254 102 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.910 110.1 49.0 -57.1 -44.9 -14.3 8.8 -21.9 255 103 B N H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.885 108.6 52.5 -62.4 -40.5 -15.7 5.3 -22.7 256 104 B L H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.956 109.7 49.5 -60.2 -47.3 -12.2 3.9 -23.2 257 105 B V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.922 109.8 51.1 -52.9 -48.2 -11.2 5.3 -19.8 258 106 B L H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 111.8 47.9 -58.4 -42.0 -14.3 3.7 -18.2 259 107 B K H X S+ 0 0 78 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.887 111.0 50.4 -66.6 -40.3 -13.3 0.4 -19.9 260 108 B I H X S+ 0 0 2 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.942 109.6 50.8 -61.3 -47.0 -9.7 0.6 -18.7 261 109 B I H >< S+ 0 0 17 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.881 110.8 48.2 -59.8 -41.4 -10.7 1.3 -15.1 262 110 B E H 3< S+ 0 0 101 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.858 116.3 43.8 -67.2 -33.9 -13.1 -1.6 -15.0 263 111 B Q H 3X S+ 0 0 63 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.429 86.0 98.1 -94.0 1.2 -10.4 -3.9 -16.4 264 112 B L H > S+ 0 0 79 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.946 114.1 47.6 -57.5 -43.7 -7.6 -5.4 -11.6 266 114 B S H >> S+ 0 0 40 -4,-0.3 4,-1.3 1,-0.2 3,-0.8 0.843 106.8 58.5 -61.1 -36.2 -7.7 -8.0 -14.4 267 115 B A H 3< S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.794 98.8 58.8 -63.6 -29.9 -4.8 -6.1 -16.1 268 116 B K H << S+ 0 0 135 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.646 106.4 47.6 -81.0 -16.5 -2.5 -6.5 -13.1 269 117 B E H << S+ 0 0 143 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.891 109.3 47.9 -82.7 -46.8 -2.7 -10.3 -13.2 270 118 B S X - 0 0 46 -4,-1.3 4,-3.7 1,-0.1 5,-0.2 -0.885 57.6-156.8-114.0 119.4 -2.1 -11.1 -16.8 271 119 B P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.846 104.1 51.3 -56.2 -36.0 0.8 -9.7 -18.9 272 120 B D H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -5,-0.1 0.873 113.7 42.0 -68.1 -40.7 -1.4 -10.5 -21.9 273 121 B K H > S+ 0 0 39 2,-0.2 4,-2.2 -7,-0.2 5,-0.2 0.845 112.6 55.4 -73.7 -34.5 -4.4 -8.7 -20.4 274 122 B F H X S+ 0 0 8 -4,-3.7 4,-1.8 -7,-0.3 -2,-0.2 0.913 109.3 46.3 -63.7 -41.9 -2.1 -5.9 -19.3 275 123 B L H X S+ 0 0 28 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.875 108.6 57.2 -67.1 -35.9 -0.9 -5.5 -22.8 276 124 B E H X S+ 0 0 90 -4,-1.5 4,-0.9 1,-0.2 3,-0.4 0.920 107.4 46.8 -60.6 -44.7 -4.5 -5.6 -24.0 277 125 B V H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.6 0.872 105.6 60.4 -67.6 -34.1 -5.4 -2.7 -21.8 278 126 B C H 3X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 19,-0.3 0.848 99.4 56.7 -60.1 -32.5 -2.3 -0.8 -23.0 279 127 B T H 3X S+ 0 0 43 -4,-1.5 4,-1.6 -3,-0.4 -1,-0.2 0.793 102.0 56.3 -70.0 -27.7 -3.7 -1.0 -26.5 280 128 B W H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 3,-0.8 0.947 109.2 48.2 -67.0 -48.2 -7.3 7.2 -26.5 285 133 B A H 3<>S+ 0 0 13 -4,-2.3 5,-0.5 1,-0.3 -2,-0.2 0.895 107.0 57.8 -58.4 -38.9 -4.1 8.9 -27.6 286 134 B A H 3<5S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.793 109.7 44.6 -60.8 -31.2 -5.1 8.3 -31.2 287 135 B L H <<5S+ 0 0 62 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.799 104.8 71.4 -81.6 -34.9 -8.4 10.2 -30.6 288 136 B N T <5S- 0 0 31 -4,-2.0 2,-1.8 1,-0.1 -114,-0.0 -0.340 103.0 -98.6 -75.3 164.1 -6.7 13.1 -28.7 289 137 B D T 5 - 0 0 62 -2,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.583 61.0-176.1 -86.6 92.5 -4.6 15.6 -30.6 290 138 B S < + 0 0 60 -2,-1.8 -5,-0.0 -5,-0.5 0, 0.0 -0.613 27.0 144.7-106.7 137.0 -1.5 13.9 -29.5 291 139 B K + 0 0 179 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.654 69.4 44.7-130.6 -56.6 2.1 15.0 -30.2 292 140 B T S S+ 0 0 141 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 0.184 74.9 142.4 -88.1 10.6 4.7 14.3 -27.5 293 141 B R + 0 0 92 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.330 13.3 159.2 -61.2 138.3 3.5 10.7 -26.8 294 142 B K + 0 0 185 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.718 49.6 61.4-127.4 -58.9 6.4 8.3 -26.0 295 143 B T + 0 0 26 -116,-0.2 -116,-0.5 4,-0.1 -1,-0.3 -0.769 63.5 166.0 -89.6 121.5 5.4 5.2 -24.2 296 144 B T > - 0 0 35 -2,-0.6 4,-2.0 -3,-0.1 3,-0.3 -0.666 52.8 -88.7-126.9 178.0 3.0 2.9 -26.0 297 145 B S H > S+ 0 0 8 -19,-0.3 4,-2.3 1,-0.2 -18,-0.1 0.885 128.0 49.4 -57.0 -39.8 1.6 -0.6 -25.9 298 146 B E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.792 104.5 57.7 -74.0 -28.0 4.4 -1.9 -28.1 299 147 B T H > S+ 0 0 59 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.912 109.8 46.5 -62.3 -42.0 7.0 -0.1 -25.9 300 148 B V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 106.1 58.6 -62.7 -46.8 5.6 -2.2 -23.0 301 149 B R H < S+ 0 0 126 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.890 105.0 51.2 -53.1 -45.7 5.6 -5.4 -25.2 302 150 B A H >< S+ 0 0 65 -4,-1.9 3,-3.4 1,-0.2 -1,-0.2 0.985 108.9 48.3 -51.7 -64.3 9.4 -5.0 -25.6 303 151 B V H 3< S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.0 60.1 -52.5 -29.8 10.2 -4.6 -21.9 304 152 B L T 3< 0 0 57 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.633 360.0 360.0 -72.5 -11.8 8.0 -7.6 -21.3 305 153 B D < 0 0 161 -3,-3.4 -3,-0.0 -4,-0.4 0, 0.0 -0.469 360.0 360.0-121.9 360.0 10.3 -9.7 -23.5