==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 13-JAN-10 3LDI . COMPND 2 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.S.YANG,T.G.KIM,B.S.PARK,K.H.KIM . 286 5 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 46.9 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 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.7 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 5 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 0 147 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 121.2 9.6 33.2 -63.7 2 2 A P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.295 360.0-123.0 -56.6 146.3 10.0 35.0 -67.1 3 3 A D G > S+ 0 0 126 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.796 107.8 70.5 -64.7 -29.9 11.0 32.7 -70.0 4 4 A F G > S+ 0 0 35 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.745 85.1 71.4 -59.4 -22.3 14.1 34.9 -70.7 5 5 A a G < S+ 0 0 0 -3,-1.4 20,-0.4 1,-0.2 -1,-0.3 0.564 91.2 59.3 -64.4 -12.5 15.5 33.5 -67.4 6 6 A L G < S+ 0 0 100 -3,-2.3 -1,-0.2 18,-0.1 -2,-0.2 0.463 82.9 102.8-100.5 -4.7 16.0 30.2 -69.2 7 7 A E S < S- 0 0 104 -3,-1.3 18,-0.1 -4,-0.2 16,-0.1 -0.503 79.6-107.5 -76.2 148.7 18.3 31.6 -71.9 8 8 A P - 0 0 95 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.354 49.5 -85.8 -66.6 154.3 22.1 30.9 -71.7 9 9 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.322 40.4-145.8 -62.6 148.3 24.2 34.0 -70.8 10 10 A Y - 0 0 92 33,-0.3 31,-0.3 1,-0.1 26,-0.1 -0.922 19.8-179.0-127.5 107.5 25.2 36.3 -73.7 11 11 A T - 0 0 67 -2,-0.5 25,-2.7 24,-0.2 27,-0.4 0.870 34.7-156.1 -68.2 -40.3 28.6 38.0 -73.6 12 12 A G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.166 31.2 -66.2 83.6 178.5 28.0 39.8 -76.9 13 13 A P S S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.589 95.5 100.7 -80.8 -17.3 30.5 41.2 -79.5 14 14 A b - 0 0 40 24,-0.4 23,-0.1 -3,-0.2 24,-0.1 -0.297 69.7-129.8 -79.1 164.3 32.0 44.0 -77.5 15 15 A K + 0 0 137 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.258 64.7 111.7-106.4 8.3 35.4 43.8 -75.7 16 16 A A - 0 0 4 20,-2.7 2,-0.3 1,-0.1 22,-0.1 -0.365 59.2-140.0 -71.3 163.1 34.8 45.0 -72.2 17 17 A R + 0 0 117 58,-0.3 2,-0.4 20,-0.1 233,-0.3 -0.692 37.1 162.7-127.9 78.4 35.1 42.3 -69.4 18 18 A I E -A 35 0A 50 17,-2.5 17,-3.3 -2,-0.3 2,-0.3 -0.851 38.7-122.9-111.0 128.0 32.3 43.2 -67.0 19 19 A I E +A 34 0A 26 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.523 40.6 165.0 -65.5 123.7 30.8 41.0 -64.3 20 20 A R E -A 33 0A 19 13,-2.5 13,-2.0 -2,-0.3 2,-0.4 -0.876 30.2-119.4-130.0 169.5 27.1 40.5 -64.7 21 21 A Y E +AB 32 45A 24 24,-3.1 24,-2.4 -2,-0.3 2,-0.3 -0.884 25.4 177.7-112.2 145.2 24.5 38.0 -63.3 22 22 A F E -A 31 0A 21 9,-2.4 9,-2.9 -2,-0.4 2,-0.5 -0.977 33.9-109.1-137.0 150.4 22.3 35.5 -65.1 23 23 A Y E -A 30 0A 15 -2,-0.3 2,-0.9 7,-0.3 7,-0.3 -0.697 22.0-154.0 -79.8 125.0 19.8 33.0 -63.8 24 24 A N E >> -A 29 0A 38 5,-2.8 4,-2.1 -2,-0.5 5,-1.3 -0.864 8.6-170.4 -98.7 98.6 21.0 29.4 -64.2 25 25 A A T 45S+ 0 0 45 -2,-0.9 -1,-0.2 -20,-0.4 3,-0.1 0.917 84.0 54.4 -57.5 -48.7 17.7 27.4 -64.3 26 26 A K T 45S+ 0 0 198 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.855 117.6 36.9 -49.7 -41.8 19.4 24.0 -64.1 27 27 A A T 45S- 0 0 47 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.675 105.0-131.2 -89.3 -20.3 21.1 25.2 -60.9 28 28 A G T <5S+ 0 0 43 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.778 73.1 73.8 72.8 28.6 18.2 27.2 -59.6 29 29 A L E S- 0 0 38 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.907 70.6-150.7-109.5 132.8 22.7 43.6 -59.5 48 48 A A H > S+ 0 0 36 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.814 100.1 60.0 -67.7 -33.0 22.4 40.1 -58.0 49 49 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 105.6 48.4 -55.0 -49.9 19.4 41.2 -56.0 50 50 A D H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.891 109.7 52.9 -58.8 -43.3 17.6 42.0 -59.2 51 51 A c H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.907 111.0 45.1 -58.7 -47.0 18.5 38.7 -60.8 52 52 A M H X S+ 0 0 122 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 117.0 43.3 -65.6 -48.8 17.1 36.6 -57.9 53 53 A R H < S+ 0 0 163 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.915 118.8 43.4 -66.6 -44.1 13.9 38.5 -57.5 54 54 A T H < S+ 0 0 58 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 131.5 21.3 -66.6 -45.9 13.2 38.7 -61.3 55 55 A a H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.507 110.9 79.8-106.9 -8.3 14.2 35.1 -62.1 56 56 A G < 0 0 24 -4,-2.3 -27,-0.1 -5,-0.3 -3,-0.1 -0.049 360.0 360.0 -92.1-165.4 13.8 33.2 -58.8 57 57 A G 0 0 124 -29,-0.2 -1,-0.1 -56,-0.0 -4,-0.1 0.560 360.0 360.0 124.0 360.0 11.0 31.8 -56.8 58 !* 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 59 1 B R 0 0 96 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 149.7 13.8 64.8 -75.1 60 2 B P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.340 360.0-120.4 -56.5 143.0 17.0 66.7 -76.1 61 3 B D G > S+ 0 0 136 1,-0.3 3,-2.4 2,-0.2 4,-0.1 0.786 109.4 71.9 -57.3 -29.5 18.1 66.1 -79.7 62 4 B F G > S+ 0 0 34 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.784 82.4 72.1 -62.0 -22.9 21.4 64.8 -78.5 63 5 B d G < S+ 0 0 0 -3,-1.7 20,-0.3 1,-0.3 -1,-0.3 0.584 89.8 61.6 -61.9 -13.9 19.5 61.7 -77.3 64 6 B L G < S+ 0 0 104 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.373 81.0 112.2 -94.1 0.7 19.2 60.8 -81.0 65 7 B E S < S- 0 0 47 -3,-1.9 18,-0.1 -4,-0.1 16,-0.1 -0.484 73.5-116.1 -73.0 142.6 23.0 60.5 -81.4 66 8 B P - 0 0 106 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.490 49.1 -84.8 -69.1 151.8 24.6 57.1 -82.1 67 9 B P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.231 41.5-148.1 -57.9 148.0 26.9 56.0 -79.2 68 10 B Y - 0 0 89 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.916 18.2-177.6-130.1 104.8 30.5 57.3 -79.4 69 11 B T - 0 0 70 -2,-0.5 25,-2.7 24,-0.2 27,-0.4 0.893 34.7-153.5 -65.1 -42.7 33.4 55.2 -78.0 70 12 B G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.100 30.2 -69.7 85.2 170.7 36.0 57.8 -78.7 71 13 B P S S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.610 95.6 100.7 -77.5 -15.4 39.7 57.5 -79.4 72 14 B e S S- 0 0 38 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.256 70.2-128.9 -78.2 164.7 40.9 56.4 -75.9 73 15 B K + 0 0 144 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.335 65.3 110.9-104.0 4.2 41.7 52.9 -74.8 74 16 B A - 0 0 4 20,-2.5 2,-0.2 1,-0.1 22,-0.1 -0.266 59.9-139.7 -68.0 165.0 39.7 52.3 -71.6 75 17 B R + 0 0 129 59,-0.4 2,-0.4 20,-0.1 -58,-0.3 -0.546 37.4 164.3-128.3 68.1 36.8 49.8 -71.8 76 18 B I E -C 93 0B 44 17,-2.7 17,-3.9 -2,-0.2 2,-0.4 -0.694 37.9-123.5 -97.5 133.0 34.1 51.5 -69.6 77 19 B I E +C 92 0B 28 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.630 40.5 165.7 -73.9 123.7 30.4 50.7 -69.5 78 20 B R E -C 91 0B 18 13,-2.5 13,-2.4 -2,-0.4 2,-0.3 -0.868 29.6-121.0-130.9 166.3 28.3 53.7 -70.3 79 21 B Y E -CD 90 103B 29 24,-2.5 24,-2.4 -2,-0.3 2,-0.3 -0.857 23.2-177.8-112.2 144.6 24.6 54.2 -71.2 80 22 B F E -C 89 0B 21 9,-2.2 9,-2.5 -2,-0.3 2,-0.5 -0.979 32.0-110.9-135.4 149.5 23.1 55.8 -74.4 81 23 B Y E -C 88 0B 10 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.729 22.7-156.5 -81.7 122.2 19.5 56.4 -75.3 82 24 B N E >> -C 87 0B 37 5,-2.6 4,-2.5 -2,-0.5 5,-1.0 -0.867 4.3-166.6 -99.2 99.9 18.3 54.2 -78.2 83 25 B A T 45S+ 0 0 47 -2,-0.9 -1,-0.1 -20,-0.3 -19,-0.1 0.702 86.2 53.4 -63.7 -23.0 15.5 56.2 -79.7 84 26 B K T 45S+ 0 0 194 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.924 115.2 38.4 -74.1 -47.6 14.3 53.2 -81.8 85 27 B A T 45S- 0 0 50 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.730 102.8-133.5 -75.5 -23.8 14.2 50.8 -78.7 86 28 B G T <5S+ 0 0 38 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.682 75.0 74.1 77.7 18.3 12.8 53.6 -76.5 87 29 B L E S- 0 0 40 1,-0.1 4,-1.3 -26,-0.1 3,-0.2 -0.892 70.1-150.6-108.0 131.6 24.1 56.4 -64.5 106 48 B A H > S+ 0 0 39 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.776 100.1 61.4 -67.5 -29.6 21.2 54.6 -66.2 107 49 B E H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 104.6 48.1 -56.0 -48.2 18.8 56.6 -64.1 108 50 B D H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.797 109.7 52.7 -64.7 -33.8 20.2 59.8 -65.7 109 51 B f H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.937 111.0 45.9 -67.4 -49.7 19.8 58.4 -69.2 110 52 B M H X S+ 0 0 94 -4,-2.1 4,-1.9 3,-0.2 5,-0.2 0.883 118.0 42.6 -58.0 -46.0 16.1 57.4 -68.6 111 53 B R H < S+ 0 0 167 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.923 118.6 42.7 -72.2 -46.4 15.2 60.8 -67.1 112 54 B T H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.888 133.3 18.4 -66.4 -39.9 17.2 63.0 -69.5 113 55 B d H < S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.524 99.8 88.8-114.1 -11.0 16.2 61.1 -72.7 114 56 B G S < S+ 0 0 26 -4,-1.9 2,-0.4 -5,-0.3 -3,-0.1 0.841 82.1 51.6 -63.8 -39.2 13.1 59.0 -71.9 115 57 B G 0 0 52 -4,-0.4 -1,-0.0 -5,-0.2 0, 0.0 -0.813 360.0 360.0-115.6 142.4 10.3 61.4 -72.7 116 58 B A 0 0 133 -2,-0.4 -1,-0.1 -57,-0.1 -2,-0.1 0.262 360.0 360.0-146.0 360.0 9.1 63.7 -75.5 117 !* 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 0.0 118 1 C R 0 0 157 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 116.2 40.6 78.7 -59.6 119 2 C P > - 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.305 360.0-120.5 -55.1 143.5 43.8 77.0 -58.5 120 3 C D G > S+ 0 0 129 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.774 109.3 68.3 -62.3 -27.7 46.6 77.2 -61.1 121 4 C F G > S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.703 84.6 74.2 -65.0 -17.7 46.8 73.4 -61.3 122 5 C g G < S+ 0 0 0 -3,-1.8 20,-0.3 1,-0.2 -1,-0.3 0.636 90.5 57.2 -66.6 -15.4 43.4 73.5 -62.9 123 6 C L G < S+ 0 0 97 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.483 84.2 104.1 -97.1 -5.2 45.0 74.9 -66.1 124 7 C E S < S- 0 0 103 -3,-1.2 16,-0.1 -4,-0.2 18,-0.1 -0.516 78.6-107.1 -77.1 143.9 47.4 71.9 -66.6 125 8 C P - 0 0 94 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.318 49.0 -83.5 -64.5 153.7 46.6 69.3 -69.3 126 9 C P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.299 42.3-145.7 -60.6 142.4 45.4 65.8 -68.1 127 10 C Y + 0 0 87 33,-0.4 31,-0.3 1,-0.2 26,-0.1 -0.923 21.2 178.7-120.0 108.5 48.2 63.5 -67.0 128 11 C T - 0 0 68 -2,-0.6 25,-2.9 24,-0.2 27,-0.5 0.908 33.1-158.6 -69.5 -44.5 47.8 59.7 -67.7 129 12 C G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.128 31.8 -66.8 82.7 176.1 51.2 58.8 -66.3 130 13 C P S S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.594 93.6 103.6 -79.2 -16.2 53.5 55.7 -66.8 131 14 C h - 0 0 40 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.231 69.4-128.1 -78.1 165.1 51.3 53.0 -65.2 132 15 C K + 0 0 140 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.350 66.8 109.2-102.9 2.6 49.2 50.5 -67.0 133 16 C A - 0 0 3 20,-2.3 2,-0.4 59,-0.1 22,-0.1 -0.337 58.4-142.4 -70.7 161.2 45.7 50.7 -65.5 134 17 C R + 0 0 122 57,-0.3 2,-0.4 20,-0.1 -59,-0.4 -0.749 37.3 158.2-130.6 84.9 42.9 52.2 -67.6 135 18 C I E -E 152 0C 49 17,-1.8 17,-3.0 -2,-0.4 2,-0.3 -0.914 41.7-119.1-122.4 129.5 40.8 54.2 -65.2 136 19 C I E +E 151 0C 25 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.508 40.0 167.0 -68.4 123.7 38.4 57.1 -65.7 137 20 C R E -E 150 0C 20 13,-2.4 13,-2.2 -2,-0.3 2,-0.4 -0.863 29.9-117.8-127.5 167.7 39.4 60.3 -64.0 138 21 C Y E -EF 149 162C 27 24,-2.9 24,-2.1 -2,-0.3 2,-0.3 -0.871 25.9-178.7-110.7 142.6 38.2 63.9 -64.3 139 22 C F E -E 148 0C 22 9,-2.6 9,-2.6 -2,-0.4 2,-0.6 -0.978 30.5-115.0-135.0 147.5 40.2 66.9 -65.3 140 23 C Y E -E 147 0C 16 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.760 21.7-152.9 -84.3 122.4 39.3 70.6 -65.7 141 24 C N E >> -E 146 0C 44 5,-2.7 4,-1.8 -2,-0.6 5,-1.3 -0.859 5.1-165.2 -95.0 101.0 39.5 71.8 -69.3 142 25 C A T 45S+ 0 0 48 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.870 87.0 50.1 -55.4 -42.5 40.2 75.5 -68.9 143 26 C K T 45S+ 0 0 208 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.966 115.6 40.0 -59.7 -56.7 39.3 76.2 -72.6 144 27 C A T 45S- 0 0 54 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.661 104.5-130.8 -69.4 -18.4 35.9 74.3 -72.5 145 28 C G T <5S+ 0 0 44 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.785 73.1 75.2 69.5 29.0 35.2 75.8 -69.0 146 29 C L E - 0 0 39 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.924 69.0-154.0-113.3 128.4 34.8 62.6 -58.3 165 48 C A H > S+ 0 0 32 -2,-0.5 4,-2.5 2,-0.2 5,-0.2 0.800 99.2 61.3 -67.8 -30.7 33.4 65.0 -60.9 166 49 C E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.941 106.3 46.1 -55.0 -48.0 31.7 66.9 -58.0 167 50 C D H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.884 111.0 52.9 -65.7 -39.5 35.2 67.6 -56.6 168 51 C i H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.958 113.1 41.9 -60.5 -52.6 36.5 68.6 -60.0 169 52 C M H X S+ 0 0 115 -4,-2.5 4,-2.5 3,-0.2 -2,-0.2 0.932 119.3 43.7 -62.0 -50.5 33.7 71.2 -60.6 170 53 C R H < S+ 0 0 165 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 120.8 40.6 -59.8 -48.4 33.8 72.6 -57.1 171 54 C T H < S+ 0 0 58 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.888 133.6 19.6 -68.1 -43.2 37.6 72.7 -56.9 172 55 C g H < 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.589 360.0 360.0-108.8 -13.6 38.3 73.9 -60.4 173 56 C G < 0 0 69 -4,-2.5 -27,-0.1 -5,-0.4 -4,-0.0 -0.069 360.0 360.0 -86.7 360.0 35.0 75.5 -61.6 174 !* 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 0.0 175 1 D R 0 0 100 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 147.8 52.4 55.2 -37.5 176 2 D P > - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.322 360.0-122.7 -56.8 144.7 52.8 51.5 -38.1 177 3 D D G > S+ 0 0 133 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.705 107.4 72.7 -64.3 -22.6 56.2 50.5 -39.7 178 4 D F G > S+ 0 0 30 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.715 82.6 71.9 -66.9 -17.1 54.4 48.8 -42.6 179 5 D j G < S+ 0 0 1 -3,-1.7 20,-0.3 1,-0.2 -1,-0.3 0.582 90.2 62.0 -68.3 -10.4 53.7 52.4 -43.7 180 6 D L G < S+ 0 0 109 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.561 81.9 100.2 -94.5 -12.7 57.4 52.7 -44.6 181 7 D E S < S- 0 0 51 -3,-1.1 16,-0.1 -4,-0.3 18,-0.1 -0.454 78.5-110.2 -75.0 145.6 57.4 49.9 -47.2 182 8 D P - 0 0 102 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.332 49.5 -82.5 -63.8 157.7 57.3 50.7 -51.0 183 9 D P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.372 43.7-147.1 -67.0 144.6 54.0 49.8 -52.8 184 10 D Y - 0 0 89 33,-0.3 31,-0.3 1,-0.2 26,-0.2 -0.924 20.2-178.6-123.9 107.8 53.8 46.2 -53.9 185 11 D T - 0 0 70 -2,-0.5 25,-2.5 24,-0.2 27,-0.4 0.906 34.2-155.8 -66.4 -45.3 51.9 45.2 -57.1 186 12 D G - 0 0 17 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.165 32.2 -68.7 86.7 176.4 52.5 41.5 -56.6 187 13 D P S S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.618 95.8 101.6 -83.8 -12.8 52.6 38.7 -59.2 188 14 D k - 0 0 43 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.256 69.9-128.4 -77.9 164.8 48.9 38.6 -60.2 189 15 D K + 0 0 139 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.306 64.0 112.8-104.2 5.6 47.6 40.2 -63.4 190 16 D A - 0 0 5 20,-2.4 2,-0.3 1,-0.1 22,-0.1 -0.317 58.7-139.4 -71.5 162.9 44.7 42.5 -62.4 191 17 D R + 0 0 124 59,-0.4 2,-0.4 19,-0.1 -57,-0.3 -0.588 39.1 161.4-122.8 70.0 45.0 46.3 -62.8 192 18 D I E -G 209 0D 40 17,-2.6 17,-3.5 -2,-0.3 2,-0.5 -0.744 38.8-123.8-103.0 135.2 43.4 47.6 -59.6 193 19 D I E +G 208 0D 27 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.637 39.8 163.9 -77.9 119.5 43.8 51.0 -58.0 194 20 D R E -G 207 0D 18 13,-2.7 13,-2.6 -2,-0.5 2,-0.4 -0.874 31.0-121.3-126.8 166.3 45.0 50.9 -54.4 195 21 D Y E -GH 206 219D 24 24,-2.8 24,-2.3 -2,-0.3 2,-0.3 -0.868 22.9-175.5-109.1 141.8 46.5 53.5 -52.1 196 22 D F E -G 205 0D 24 9,-2.5 9,-2.6 -2,-0.4 2,-0.5 -0.954 30.9-111.3-127.4 153.0 49.9 53.4 -50.4 197 23 D Y E -G 204 0D 9 -2,-0.3 2,-0.8 7,-0.2 7,-0.3 -0.740 20.6-153.7 -83.1 124.7 51.4 55.8 -47.9 198 24 D N E >> -G 203 0D 43 5,-2.8 4,-2.0 -2,-0.5 5,-1.3 -0.889 8.8-168.1 -97.5 101.5 54.3 57.7 -49.2 199 25 D A T 45S+ 0 0 42 -2,-0.8 -1,-0.2 -20,-0.3 -19,-0.1 0.853 84.8 50.7 -65.6 -38.5 56.2 58.5 -46.0 200 26 D K T 45S+ 0 0 197 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.940 116.1 41.7 -60.0 -50.0 58.6 61.0 -47.7 201 27 D A T 45S- 0 0 50 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.732 104.7-132.0 -69.7 -25.0 55.6 62.9 -49.2 202 28 D G T <5S+ 0 0 34 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.657 73.6 76.4 77.9 17.1 53.6 62.6 -46.0 203 29 D L E S- 0 0 39 1,-0.1 4,-1.7 -26,-0.1 -1,-0.1 -0.877 70.8-148.5-107.4 134.4 40.0 53.4 -49.4 222 48 D A H > S+ 0 0 43 -2,-0.4 4,-2.0 2,-0.2 5,-0.2 0.760 100.6 59.9 -64.0 -30.8 42.1 56.6 -49.3 223 49 D E H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 106.8 46.6 -63.4 -47.2 40.5 57.6 -46.0 224 50 D D H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.887 110.3 52.9 -60.9 -45.0 41.8 54.4 -44.4 225 51 D l H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.954 113.0 42.6 -56.1 -54.1 45.3 54.8 -45.8 226 52 D M H X S+ 0 0 74 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.837 116.6 47.4 -66.8 -35.8 45.7 58.4 -44.4 227 53 D R H < S+ 0 0 163 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.919 116.1 43.6 -71.1 -42.4 44.2 57.5 -41.0 228 54 D T H < S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.910 129.7 26.1 -69.2 -44.4 46.3 54.3 -40.5 229 55 D j H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.332 95.4 120.3-102.6 4.6 49.6 55.8 -41.7 230 56 D G < - 0 0 23 -4,-0.5 2,-0.2 -5,-0.2 -1,-0.1 0.814 66.4 -19.2 -30.7 -77.2 48.5 59.4 -40.7 231 57 D G 0 0 46 -4,-0.3 -29,-0.0 -3,-0.1 -1,-0.0 -0.651 360.0 360.0-137.8-175.9 51.0 60.8 -38.2 232 58 D A 0 0 147 -2,-0.2 -1,-0.1 -57,-0.0 -2,-0.1 -0.030 360.0 360.0-169.6 360.0 53.7 60.6 -35.5 233 !* 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 0.0 234 1 E R 0 0 134 0, 0.0 54,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.4 32.9 27.3 -40.1 235 2 E P > - 0 0 47 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.414 360.0-126.3 -58.6 138.8 31.4 26.1 -43.4 236 3 E D G > S+ 0 0 132 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.785 105.9 70.4 -58.9 -31.0 33.7 23.4 -45.0 237 4 E F G > S+ 0 0 33 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.698 82.5 73.5 -62.8 -17.1 33.8 25.4 -48.2 238 5 E m G < S+ 0 0 0 -3,-1.6 20,-0.3 1,-0.2 -1,-0.3 0.636 89.9 61.3 -67.1 -13.9 35.9 28.0 -46.3 239 6 E L G < S+ 0 0 106 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.432 80.6 107.4 -94.5 -3.7 38.7 25.3 -46.6 240 7 E E S < S- 0 0 52 -3,-1.4 18,-0.1 -4,-0.2 16,-0.1 -0.529 76.8-112.3 -73.8 140.9 38.8 25.3 -50.4 241 8 E P - 0 0 105 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.379 49.4 -87.1 -60.6 151.6 41.8 26.9 -52.2 242 9 E P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.351 42.5-147.6 -65.2 147.3 40.7 30.1 -54.1 243 10 E Y - 0 0 91 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.925 20.1-177.1-129.6 107.7 39.5 29.4 -57.7 244 11 E T - 0 0 67 -2,-0.5 25,-3.0 24,-0.2 27,-0.4 0.862 35.4-152.5 -65.9 -39.2 40.0 31.9 -60.5 245 12 E G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.122 30.1 -71.4 81.0 174.7 38.0 29.9 -63.1 246 13 E P S S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.526 94.6 102.8 -84.8 -8.6 38.4 29.7 -66.9 247 14 E n S S- 0 0 40 24,-0.3 23,-0.1 -3,-0.2 24,-0.1 -0.326 70.7-127.2 -82.4 165.3 37.0 33.1 -67.8 248 15 E K + 0 0 146 22,-0.1 22,-0.2 -2,-0.1 -1,-0.1 0.309 67.6 108.9-105.1 3.1 39.1 36.2 -68.7 249 16 E A - 0 0 3 20,-2.2 2,-0.3 1,-0.0 22,-0.1 -0.344 57.6-145.2 -68.8 161.2 37.9 39.0 -66.4 250 17 E R + 0 0 133 -233,-0.3 2,-0.4 20,-0.1 -59,-0.4 -0.679 34.8 162.5-133.1 78.1 40.4 40.1 -63.6 251 18 E I E -I 268 0E 42 17,-2.4 17,-3.6 -2,-0.3 2,-0.4 -0.811 40.5-117.3-108.4 133.8 38.1 40.9 -60.7 252 19 E I E +I 267 0E 22 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.565 42.8 165.5 -67.9 124.3 39.1 41.3 -57.1 253 20 E R E -I 266 0E 17 13,-2.4 13,-2.2 -2,-0.4 2,-0.4 -0.908 29.7-120.5-131.9 166.1 37.4 38.8 -54.9 254 21 E Y E -IJ 265 278E 28 24,-2.8 24,-2.2 -2,-0.3 2,-0.3 -0.851 24.9-180.0-110.5 143.6 37.9 37.6 -51.3 255 22 E F E -I 264 0E 23 9,-2.6 9,-2.7 -2,-0.4 2,-0.5 -0.980 30.6-113.2-136.1 149.6 38.7 34.1 -50.0 256 23 E Y E -I 263 0E 21 -2,-0.3 2,-0.9 7,-0.2 7,-0.3 -0.749 19.4-153.5 -82.8 124.6 39.3 32.6 -46.6 257 24 E N E >> -I 262 0E 44 5,-2.9 4,-1.9 -2,-0.5 5,-1.6 -0.870 8.3-169.0 -96.0 99.4 42.8 31.3 -46.0 258 25 E A T 45S+ 0 0 45 -2,-0.9 -1,-0.2 -20,-0.3 -19,-0.1 0.863 84.1 52.8 -62.5 -37.8 42.3 28.7 -43.3 259 26 E K T 45S+ 0 0 198 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.965 118.1 35.5 -58.6 -55.6 46.0 28.3 -42.6 260 27 E A T 45S- 0 0 50 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.686 105.2-132.3 -71.5 -19.9 46.5 32.1 -42.1 261 28 E G T <5S+ 0 0 41 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.851 70.3 92.8 67.6 35.4 43.1 32.3 -40.4 262 29 E L E S- 0 0 37 1,-0.1 4,-1.6 -26,-0.1 -1,-0.1 -0.854 70.4-151.0-106.4 135.6 32.5 41.7 -49.9 281 48 E A H > S+ 0 0 36 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.833 100.3 57.8 -71.5 -32.0 35.3 41.3 -47.4 282 49 E E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 106.4 49.0 -59.7 -46.3 32.9 41.7 -44.5 283 50 E D H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.881 110.4 51.6 -61.0 -42.0 30.9 38.7 -45.8 284 51 E o H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.952 112.9 43.5 -58.9 -53.9 34.1 36.6 -46.1 285 52 E M H X S+ 0 0 115 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.889 119.5 42.6 -59.4 -44.9 35.3 37.3 -42.5 286 53 E R H < S+ 0 0 160 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.899 117.5 43.9 -74.8 -42.5 31.8 36.7 -41.0 287 54 E T H < S+ 0 0 56 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.896 123.8 36.0 -67.4 -40.3 30.8 33.6 -43.1 288 55 E m H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.273 101.0 95.4-104.6 11.6 34.2 32.0 -42.7 289 56 E G < 0 0 29 -4,-0.5 -3,-0.1 -3,-0.4 -51,-0.0 -0.254 360.0 360.0 -93.1-177.4 35.1 33.0 -39.1 290 57 E G 0 0 116 -2,-0.1 -2,-0.0 -56,-0.1 -3,-0.0 -0.876 360.0 360.0 125.5 360.0 34.8 31.4 -35.7