==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 06-NOV-98 1B0C . COMPND 2 MOLECULE: PROTEIN (PANCREATIC TRYPSIN INHIBITOR); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.HAMIAUX,T.PRANGE,M.RIES-KAUTT,A.DUCRUIX,S.LAFONT, . 280 5 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 47.1 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 . 50 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 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 . 5 0 0 0 0 0 5 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 5 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 R 0 0 165 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 117.2 -7.6 22.3 55.2 2 2 A P > - 0 0 51 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.131 360.0-118.5 -56.4 149.1 -6.0 25.4 53.5 3 3 A D G > S+ 0 0 85 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.874 108.9 65.7 -59.9 -37.2 -3.1 24.9 51.1 4 4 A F G > S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.692 82.7 76.0 -61.8 -19.2 -0.7 27.0 53.2 5 5 A a G < S+ 0 0 0 -3,-1.3 20,-0.3 1,-0.3 -1,-0.3 0.578 90.1 58.9 -67.4 -10.6 -0.9 24.4 56.0 6 6 A L G < S+ 0 0 114 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.464 82.7 108.6 -97.0 -4.0 1.4 22.2 54.0 7 7 A E S < S- 0 0 75 -3,-1.7 18,-0.2 -4,-0.2 16,-0.1 -0.355 75.4-111.9 -71.9 150.2 4.2 24.8 53.8 8 8 A P - 0 0 106 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.526 46.9 -83.9 -79.8 154.4 7.4 24.3 55.8 9 9 A P - 0 0 55 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.339 41.8-149.5 -61.2 135.2 8.0 26.6 58.8 10 10 A Y - 0 0 110 33,-0.4 31,-0.4 1,-0.2 26,-0.2 -0.890 17.4-178.4-114.8 107.1 9.6 29.9 57.9 11 11 A T - 0 0 65 -2,-0.6 25,-2.6 24,-0.2 27,-0.4 0.898 32.1-153.4 -68.0 -43.9 11.9 31.6 60.5 12 12 A G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.112 30.7 -69.3 91.6 169.0 12.7 34.7 58.5 13 13 A P S S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.514 92.7 107.9 -77.3 -9.3 15.7 37.1 58.5 14 14 A b - 0 0 41 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.349 68.7-128.3 -79.0 156.0 15.0 38.7 61.9 15 15 A K S S+ 0 0 83 -2,-0.1 22,-0.1 22,-0.1 -1,-0.1 0.616 70.1 104.0 -73.9 -20.4 17.0 38.3 65.1 16 16 A A - 0 0 5 20,-1.6 2,-0.2 1,-0.1 22,-0.1 -0.120 58.4-146.6 -64.0 162.6 14.2 37.4 67.7 17 17 A R + 0 0 53 57,-0.3 228,-0.3 20,-0.1 2,-0.3 -0.603 33.9 160.8-133.4 71.8 13.7 33.8 68.9 18 18 A I E -A 35 0A 48 17,-2.1 17,-3.3 -2,-0.2 2,-0.5 -0.709 39.8-120.8 -94.5 141.8 9.9 33.6 69.5 19 19 A I E +A 34 0A 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.717 39.9 166.7 -85.4 127.5 8.0 30.3 69.7 20 20 A R E -A 33 0A 20 13,-2.4 13,-2.0 -2,-0.5 2,-0.3 -0.874 29.6-121.0-133.0 163.9 5.3 29.9 67.1 21 21 A Y E -AB 32 45A 28 24,-2.8 24,-2.8 -2,-0.3 2,-0.3 -0.856 24.8-178.2-111.1 148.1 3.3 26.9 66.0 22 22 A F E -A 31 0A 20 9,-2.2 9,-2.6 -2,-0.3 2,-0.5 -0.970 32.6-107.1-139.5 152.0 3.1 25.4 62.5 23 23 A Y E -A 30 0A 17 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.717 23.8-154.2 -85.4 125.1 1.1 22.5 61.1 24 24 A N E >> -A 29 0A 39 5,-2.3 4,-2.1 -2,-0.5 5,-1.0 -0.883 6.0-168.4 -99.3 101.9 3.3 19.5 60.3 25 25 A A T 45S+ 0 0 50 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.904 86.0 52.2 -56.7 -43.8 1.3 17.6 57.6 26 26 A K T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.892 116.5 38.4 -61.4 -41.8 3.5 14.5 58.0 27 27 A A T 45S- 0 0 53 2,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.688 103.5-130.2 -84.1 -21.1 3.0 14.3 61.7 28 28 A G T <5S+ 0 0 36 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.623 74.1 70.2 81.9 13.6 -0.7 15.3 61.6 29 29 A L E - 0 0 40 1,-0.1 4,-1.8 -26,-0.1 -1,-0.1 -0.830 69.5-151.6-104.7 133.6 -1.8 30.3 69.4 48 48 A A H > S+ 0 0 40 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.875 99.8 58.5 -68.0 -35.8 -1.7 26.5 69.3 49 49 A E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 106.2 48.3 -57.4 -49.5 -5.5 26.4 69.5 50 50 A D H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.889 109.2 53.7 -57.7 -44.1 -5.7 28.5 66.3 51 51 A c H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.942 110.7 44.5 -58.9 -49.1 -3.2 26.3 64.5 52 52 A M H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.757 115.6 47.7 -69.7 -22.3 -5.2 23.0 65.2 53 53 A R H < S+ 0 0 162 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.863 116.0 42.7 -85.6 -39.4 -8.5 24.5 64.3 54 54 A T H < S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.926 129.5 25.8 -72.5 -48.2 -7.4 26.1 61.1 55 55 A a < 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.120 360.0 360.0-104.8 21.1 -5.3 23.2 59.8 56 56 A G 0 0 64 -4,-0.2 -27,-0.1 -3,-0.1 -3,-0.1 -0.519 360.0 360.0 -81.0 360.0 -7.1 20.4 61.7 57 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 1 B R 0 0 169 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 118.0 -6.5 56.8 59.5 59 2 B P > - 0 0 51 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.154 360.0-116.1 -57.8 150.9 -3.7 58.8 61.3 60 3 B D G > S+ 0 0 90 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.818 110.3 62.1 -57.3 -36.7 -0.7 60.2 59.5 61 4 B F G > S+ 0 0 31 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.639 82.8 77.8 -69.7 -16.7 1.7 58.1 61.5 62 5 B d G < S+ 0 0 0 -3,-1.5 20,-0.3 1,-0.3 -1,-0.3 0.600 90.1 58.6 -67.8 -11.4 0.3 54.8 60.3 63 6 B L G < S+ 0 0 110 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.466 82.5 108.1 -96.2 -4.6 2.2 55.4 57.0 64 7 B E S < S- 0 0 64 -3,-1.5 18,-0.2 -4,-0.1 16,-0.1 -0.322 75.8-111.7 -71.2 153.2 5.6 55.5 58.8 65 8 B P - 0 0 103 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.565 46.4 -84.3 -82.7 154.3 8.0 52.6 58.3 66 9 B P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.345 42.2-150.6 -61.8 135.5 8.7 50.4 61.4 67 10 B Y - 0 0 90 33,-0.4 31,-0.3 1,-0.1 26,-0.1 -0.944 17.1-176.9-115.7 118.3 11.4 51.7 63.7 68 11 B T - 0 0 66 -2,-0.5 25,-2.7 24,-0.2 27,-0.4 0.873 32.3-152.6 -77.7 -40.9 13.5 49.3 65.7 69 12 B G - 0 0 19 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.077 31.0 -69.3 88.9 168.2 15.5 51.9 67.6 70 13 B P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.531 93.6 106.5 -75.9 -9.1 19.0 51.8 69.2 71 14 B e - 0 0 40 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.360 68.5-131.1 -79.5 154.8 18.3 49.3 72.0 72 15 B K + 0 0 68 -2,-0.1 22,-0.1 22,-0.1 -1,-0.1 0.401 67.1 108.9 -84.5 -1.4 19.3 45.7 72.2 73 16 B A - 0 0 4 20,-2.2 2,-0.3 1,-0.1 22,-0.1 -0.299 58.6-143.4 -71.2 163.2 16.1 43.9 73.1 74 17 B R + 0 0 53 57,-0.3 2,-0.4 -59,-0.1 -57,-0.3 -0.693 35.5 159.4-130.5 77.1 14.2 41.7 70.6 75 18 B I E -C 92 0B 46 17,-2.2 17,-3.4 -2,-0.3 2,-0.5 -0.820 39.7-123.5-103.1 139.7 10.5 42.3 71.2 76 19 B I E +C 91 0B 23 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.701 38.9 166.7 -84.1 126.6 7.7 41.6 68.7 77 20 B R E -C 90 0B 20 13,-2.4 13,-2.0 -2,-0.5 2,-0.3 -0.865 29.4-121.2-131.8 164.7 5.6 44.6 68.0 78 21 B Y E -CD 89 102B 25 24,-2.7 24,-2.5 -2,-0.3 2,-0.3 -0.861 24.9-178.3-112.4 146.4 3.0 45.3 65.3 79 22 B F E -C 88 0B 17 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -0.961 32.5-106.9-138.2 154.4 3.1 48.1 62.7 80 23 B Y E -C 87 0B 16 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.753 23.7-154.8 -87.0 123.6 0.7 49.1 60.0 81 24 B N E >> -C 86 0B 39 5,-2.3 4,-2.0 -2,-0.5 5,-1.0 -0.873 5.8-168.4 -97.8 101.6 1.9 48.2 56.5 82 25 B A T 45S+ 0 0 52 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.898 86.0 52.4 -56.4 -43.5 0.1 50.7 54.2 83 26 B K T 45S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.886 116.4 38.3 -61.9 -40.9 1.1 48.9 51.1 84 27 B A T 45S- 0 0 55 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.683 103.5-130.1 -85.2 -20.5 -0.2 45.5 52.3 85 28 B G T <5S+ 0 0 39 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.613 74.2 70.8 81.6 13.1 -3.3 46.9 54.0 86 29 B L E - 0 0 39 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.825 69.3-151.7-104.7 133.5 -1.4 44.6 70.7 105 48 B A H > S+ 0 0 42 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.880 100.1 58.3 -67.4 -37.2 -2.4 43.5 67.2 106 49 B E H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 106.2 48.5 -56.2 -49.3 -6.0 44.4 67.9 107 50 B D H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.881 108.4 55.1 -58.1 -43.2 -5.0 48.0 68.7 108 51 B f H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.944 110.6 43.2 -58.4 -50.6 -3.0 48.3 65.5 109 52 B M H < S+ 0 0 76 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.836 115.3 48.9 -65.7 -34.9 -5.9 47.3 63.2 110 53 B R H < S+ 0 0 162 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.884 116.1 41.9 -73.6 -39.6 -8.4 49.4 65.0 111 54 B T H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.926 129.9 26.0 -73.6 -47.1 -6.3 52.5 65.0 112 55 B d < 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.106 360.0 360.0-105.2 20.7 -4.9 52.2 61.4 113 56 B G 0 0 67 -4,-0.5 -27,-0.1 -3,-0.1 -3,-0.0 -0.531 360.0 360.0 -82.6 360.0 -7.8 50.2 59.9 114 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 1 C R 0 0 164 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 116.6 3.7 63.4 91.5 116 2 C P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.155 360.0-119.6 -57.0 147.2 6.5 61.7 93.5 117 3 C D G > S+ 0 0 87 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.856 108.6 66.7 -59.6 -35.6 10.1 62.9 93.3 118 4 C F G > S+ 0 0 40 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.690 82.7 75.5 -61.4 -18.6 11.3 59.6 91.9 119 5 C g G < S+ 0 0 0 -3,-1.4 20,-0.3 1,-0.3 -1,-0.3 0.596 90.8 58.0 -68.0 -11.6 9.3 60.1 88.7 120 6 C L G < S+ 0 0 113 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.470 82.6 107.2 -96.3 -6.0 12.0 62.6 87.7 121 7 C E S < S- 0 0 57 -3,-1.5 18,-0.2 -4,-0.2 16,-0.1 -0.342 76.7-110.7 -70.1 152.7 14.9 60.1 87.9 122 8 C P - 0 0 103 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.541 46.5 -83.8 -82.0 154.4 16.4 58.8 84.6 123 9 C P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.347 42.3-150.4 -61.0 136.5 15.8 55.2 83.7 124 10 C Y - 0 0 96 33,-0.4 31,-0.3 1,-0.2 26,-0.2 -0.909 16.9-177.1-117.8 109.5 18.2 52.7 85.3 125 11 C T - 0 0 68 -2,-0.6 25,-2.6 24,-0.2 27,-0.4 0.885 32.1-153.2 -69.7 -42.5 19.0 49.5 83.4 126 12 C G - 0 0 23 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.109 30.9 -68.7 90.3 169.9 21.2 48.0 86.1 127 13 C P S S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.481 93.5 106.4 -77.9 -8.0 24.2 45.5 86.0 128 14 C h - 0 0 42 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.386 68.6-129.5 -80.8 157.0 22.2 42.4 85.0 129 15 C K + 0 0 96 -2,-0.1 22,-0.2 22,-0.1 -1,-0.1 0.630 68.1 107.0 -78.4 -18.5 22.1 40.7 81.6 130 16 C A - 0 0 4 20,-1.5 2,-0.3 1,-0.1 22,-0.1 -0.092 58.6-144.6 -61.3 161.3 18.3 40.3 80.9 131 17 C R + 0 0 129 57,-0.3 2,-0.4 20,-0.1 -57,-0.3 -0.678 35.0 160.6-129.6 73.2 16.6 42.5 78.3 132 18 C I E -E 149 0C 46 17,-2.2 17,-3.2 -2,-0.3 2,-0.5 -0.779 39.2-123.6 -99.1 141.2 13.1 43.2 79.7 133 19 C I E +E 148 0C 26 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.720 39.1 166.3 -85.7 127.7 10.9 46.0 78.7 134 20 C R E -E 147 0C 21 13,-2.4 13,-2.0 -2,-0.5 2,-0.3 -0.885 29.8-120.7-133.7 163.8 9.8 48.3 81.5 135 21 C Y E -EF 146 159C 26 24,-2.7 24,-2.6 -2,-0.3 2,-0.3 -0.850 24.9-178.4-111.1 147.8 8.2 51.7 81.6 136 22 C F E -E 145 0C 19 9,-2.3 9,-2.6 -2,-0.3 2,-0.5 -0.969 32.4-107.0-139.6 153.1 9.6 54.9 83.1 137 23 C Y E -E 144 0C 18 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.720 23.6-154.8 -86.7 125.4 8.2 58.4 83.4 138 24 C N E >> -E 143 0C 42 5,-2.3 4,-2.0 -2,-0.5 5,-1.0 -0.878 5.6-168.5-100.2 100.9 9.8 60.9 81.1 139 25 C A T 45S+ 0 0 49 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.906 85.8 52.6 -55.8 -44.5 9.3 64.3 82.8 140 26 C K T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.888 116.2 38.4 -60.6 -41.9 10.4 66.2 79.7 141 27 C A T 45S- 0 0 56 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.682 103.9-129.6 -84.4 -20.2 8.0 64.3 77.3 142 28 C G T <5S+ 0 0 39 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.617 74.3 70.1 81.4 13.7 5.1 64.2 79.8 143 29 C L E - 0 0 38 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.815 69.2-151.8-104.3 133.7 2.7 48.0 83.8 162 48 C A H > S+ 0 0 41 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.870 100.2 58.3 -68.4 -35.7 2.2 51.1 81.7 163 49 C E H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.946 106.6 48.0 -56.9 -50.0 -1.1 51.7 83.5 164 50 C D H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.894 109.4 53.6 -57.3 -45.3 0.7 51.9 86.8 165 51 C i H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.946 111.2 44.7 -58.1 -48.6 3.3 54.2 85.5 166 52 C M H < S+ 0 0 80 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.830 114.8 47.6 -68.5 -29.5 0.8 56.7 84.2 167 53 C R H < S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.869 116.1 43.1 -79.1 -39.2 -1.3 56.7 87.3 168 54 C T H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.930 128.7 26.8 -72.2 -48.3 1.6 57.0 89.7 169 55 C g < 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.145 360.0 360.0-104.0 20.4 3.5 59.7 87.8 170 56 C G 0 0 66 -4,-0.4 -27,-0.1 -3,-0.1 -3,-0.0 -0.506 360.0 360.0 -80.6 360.0 0.5 61.3 85.9 171 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 172 1 D R 0 0 153 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 116.0 8.8 33.2 107.8 173 2 D P > - 0 0 53 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.151 360.0-121.0 -56.5 149.5 10.5 30.1 106.4 174 3 D D G > S+ 0 0 135 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.816 106.8 69.7 -70.3 -24.6 14.2 29.9 106.7 175 4 D F G > S+ 0 0 32 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.733 82.9 75.5 -63.4 -18.5 14.8 29.6 102.9 176 5 D j G < S+ 0 0 0 -3,-1.3 20,-0.3 1,-0.3 -1,-0.3 0.588 89.6 58.7 -66.4 -11.0 13.6 33.2 102.6 177 6 D L G < S+ 0 0 100 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.462 82.4 109.4 -97.2 -4.1 17.0 34.2 104.0 178 7 D E S < S- 0 0 64 -3,-1.8 18,-0.2 -4,-0.2 16,-0.1 -0.301 74.9-113.3 -69.3 151.2 18.9 32.5 101.2 179 8 D P - 0 0 105 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.588 46.0 -84.9 -82.9 155.2 20.7 34.6 98.6 180 9 D P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.347 41.9-151.9 -62.6 134.4 19.3 34.6 95.0 181 10 D Y - 0 0 92 33,-0.4 31,-0.4 1,-0.1 26,-0.2 -0.927 15.7-175.7-115.8 114.1 20.6 31.7 92.9 182 11 D T - 0 0 56 -2,-0.6 25,-2.8 24,-0.2 27,-0.4 0.879 32.7-150.9 -71.3 -41.4 20.8 32.1 89.1 183 12 D G - 0 0 16 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.088 30.1 -70.4 90.4 167.9 22.0 28.6 88.3 184 13 D P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.543 93.4 107.3 -76.0 -10.8 24.1 27.2 85.5 185 14 D k - 0 0 35 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.312 68.8-128.5 -76.6 159.3 21.5 27.6 82.7 186 15 D K + 0 0 62 22,-0.1 22,-0.2 -2,-0.1 -1,-0.1 0.574 66.2 109.3 -82.7 -12.6 21.5 30.1 79.9 187 16 D A - 0 0 1 20,-1.8 2,-0.2 1,-0.1 22,-0.1 -0.111 58.6-141.3 -66.0 161.2 18.1 31.7 80.0 188 17 D R + 0 0 84 57,-0.3 2,-0.3 -59,-0.1 -57,-0.3 -0.596 38.7 158.0-124.0 67.7 17.4 35.3 81.2 189 18 D I E -G 206 0D 47 17,-2.0 17,-3.3 -2,-0.2 2,-0.5 -0.736 39.6-127.1 -99.2 139.1 14.2 35.1 83.2 190 19 D I E +G 205 0D 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.727 37.2 166.9 -86.1 126.4 13.0 37.6 85.8 191 20 D R E -G 204 0D 22 13,-2.5 13,-2.1 -2,-0.5 2,-0.4 -0.868 29.3-121.2-131.8 163.7 12.2 35.9 89.1 192 21 D Y E -GH 203 216D 25 24,-2.7 24,-2.6 -2,-0.3 2,-0.3 -0.861 24.9-178.4-112.3 146.5 11.6 37.4 92.6 193 22 D F E -G 202 0D 17 9,-2.3 9,-2.7 -2,-0.4 2,-0.5 -0.968 32.4-107.2-138.7 152.7 13.5 36.6 95.8 194 23 D Y E -G 201 0D 16 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.724 23.7-154.6 -85.9 124.7 13.1 37.9 99.4 195 24 D N E >> -G 200 0D 41 5,-2.3 4,-2.0 -2,-0.5 5,-1.0 -0.881 5.8-168.6 -99.2 102.1 15.7 40.3 100.5 196 25 D A T 45S+ 0 0 50 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.904 86.0 52.6 -57.0 -43.7 15.8 40.0 104.2 197 26 D K T 45S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.881 116.2 38.2 -61.8 -40.4 18.0 43.1 104.6 198 27 D A T 45S- 0 0 55 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.664 103.5-129.5 -86.0 -19.9 15.6 45.3 102.6 199 28 D G T <5S+ 0 0 39 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.624 74.5 70.5 81.4 13.8 12.5 43.7 103.9 200 29 D L E - 0 0 40 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.823 69.2-151.4-103.6 133.7 4.9 35.7 91.1 219 48 D A H > S+ 0 0 42 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.868 100.3 57.9 -67.3 -36.1 5.7 38.7 93.2 220 49 D E H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.944 106.4 48.5 -57.4 -49.9 2.5 38.2 95.1 221 50 D D H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.881 108.9 53.8 -57.7 -44.2 3.6 34.7 96.1 222 51 D l H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.942 110.9 44.3 -59.0 -49.1 7.0 36.0 97.3 223 52 D M H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.728 115.3 48.0 -68.5 -27.4 5.5 38.7 99.6 224 53 D R H < S+ 0 0 160 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.849 116.1 42.6 -80.9 -39.7 2.9 36.4 101.1 225 54 D T H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.931 129.7 25.9 -72.7 -47.7 5.3 33.5 101.7 226 55 D j < 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.112 360.0 360.0-105.6 21.8 8.2 35.5 103.1 227 56 D G 0 0 67 -4,-0.1 -27,-0.1 -3,-0.1 -3,-0.1 -0.527 360.0 360.0 -82.0 360.0 6.2 38.5 104.4 228 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 229 1 E R 0 0 163 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 117.4 1.7 7.9 85.3 230 2 E P > - 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.161 360.0-119.6 -56.9 147.3 2.7 7.7 81.6 231 3 E D G > S+ 0 0 84 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.739 108.5 66.4 -63.8 -25.2 6.1 6.2 80.6 232 4 E F G > S+ 0 0 71 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.712 82.9 75.5 -70.2 -19.4 7.3 9.4 79.0 233 5 E m G < S+ 0 0 0 -3,-1.4 20,-0.3 1,-0.3 -1,-0.3 0.602 91.8 56.8 -65.6 -12.0 7.3 11.1 82.4 234 6 E L G < S+ 0 0 109 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.501 82.8 106.2 -96.8 -8.0 10.5 9.2 83.1 235 7 E E S < S- 0 0 39 -3,-1.6 18,-0.1 -4,-0.2 16,-0.1 -0.375 77.7-109.6 -71.3 149.3 12.3 10.5 80.1 236 8 E P - 0 0 105 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.481 46.3 -83.5 -76.7 154.0 15.1 13.2 80.8 237 9 E P - 0 0 55 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.353 42.4-150.1 -61.6 135.0 14.5 16.8 79.7 238 10 E Y - 0 0 107 33,-0.4 31,-0.3 1,-0.1 26,-0.2 -0.928 17.2-177.5-113.9 112.6 15.3 17.5 76.0 239 11 E T - 0 0 67 -2,-0.6 25,-2.8 24,-0.2 26,-0.4 0.891 32.4-153.1 -72.1 -42.6 16.4 21.0 75.0 240 12 E G - 0 0 18 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.095 30.6 -69.4 90.9 169.5 16.7 20.3 71.3 241 13 E P S S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.515 92.5 108.5 -77.3 -9.3 18.8 21.8 68.5 242 14 E C - 0 0 42 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.342 68.8-128.6 -78.7 155.9 17.1 25.2 68.4 243 15 E K + 0 0 80 -2,-0.1 22,-0.1 22,-0.1 -1,-0.1 0.472 69.7 104.8 -79.0 -7.7 18.5 28.6 69.6 244 16 E A - 0 0 6 20,-2.1 2,-0.3 -226,-0.1 22,-0.1 -0.259 58.2-145.5 -72.7 165.7 15.6 29.9 71.8 245 17 E R + 0 0 118 -228,-0.3 2,-0.3 20,-0.1 -57,-0.3 -0.688 33.9 160.0-135.7 75.7 15.8 29.8 75.6 246 18 E I E -I 263 0E 47 17,-2.2 17,-3.3 -2,-0.3 2,-0.5 -0.791 39.8-122.1-100.6 141.7 12.3 29.2 76.8 247 19 E I E +I 262 0E 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.727 39.4 166.8 -85.6 127.0 11.4 27.9 80.3 248 20 E R E -I 261 0E 21 13,-2.5 13,-2.0 -2,-0.5 2,-0.3 -0.877 29.6-121.0-132.0 163.7 9.4 24.6 80.2 249 21 E Y E -IJ 260 273E 27 24,-2.8 24,-2.7 -2,-0.3 2,-0.3 -0.842 24.9-178.2-110.7 147.9 8.6 22.1 82.9 250 22 E F E -I 259 0E 18 9,-2.4 9,-2.7 -2,-0.3 2,-0.5 -0.963 32.5-107.1-138.8 153.9 9.5 18.4 83.0 251 23 E Y E -I 258 0E 17 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.744 23.6-154.3 -87.1 125.0 8.8 15.7 85.5 252 24 E N E >> -I 257 0E 41 5,-2.3 4,-2.1 -2,-0.5 5,-1.0 -0.883 6.0-168.4 -99.2 101.5 11.8 14.6 87.6 253 25 E A T 45S+ 0 0 50 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.903 86.2 52.3 -55.8 -44.3 11.0 11.1 88.7 254 26 E K T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.895 116.3 38.5 -61.2 -42.3 13.8 11.0 91.2 255 27 E A T 45S- 0 0 55 2,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.688 103.6-130.0 -83.6 -20.5 12.7 14.2 92.9 256 28 E G T <5S+ 0 0 38 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.610 74.3 70.3 81.5 12.8 9.0 13.4 92.6 257 29 E L E - 0 0 39 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.832 69.5-151.3-105.0 135.1 2.2 24.9 82.1 276 48 E A H > S+ 0 0 43 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.883 100.1 58.4 -68.2 -38.0 3.4 23.6 85.5 277 49 E E H > S+ 0 0 116 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.938 106.5 48.0 -55.3 -49.1 -0.2 22.7 86.5 278 50 E D H >> S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.891 109.5 53.7 -58.8 -44.3 -0.4 20.4 83.4 279 51 E n H 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.950 111.0 43.3 -59.3 -50.8 2.9 18.8 84.3 280 52 E M H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.557 116.0 48.7 -72.2 -16.4 2.0 17.8 87.9 281 53 E R H << S+ 0 0 160 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.791 115.9 42.1 -88.7 -37.9 -1.5 16.6 86.9 282 54 E T H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.924 129.9 26.5 -73.9 -48.7 -0.3 14.4 84.0 283 55 E m < 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.137 360.0 360.0-103.4 19.9 2.8 13.0 85.8 284 56 E G 0 0 58 -3,-0.1 -27,-0.1 -5,-0.1 -3,-0.1 -0.505 360.0 360.0 -79.3 360.0 1.5 13.3 89.3