==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 08-AUG-08 3E43 . COMPND 2 MOLECULE: TYPE-2 RESTRICTION ENZYME HINDII; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR N.C.HORTON,A.C.BABIC,E.J.LITTLE,V.M.MANOHAR . 488 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.1 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 . 5 1.0 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 . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 3 3 2 1 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 4 0 2 1 0 0 0 1 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 3 0 1 1 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 S 0 0 43 0, 0.0 180,-0.0 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 130.7 19.5 -97.5 79.2 2 3 A F + 0 0 53 1,-0.2 4,-0.3 2,-0.1 108,-0.0 0.725 360.0 55.8 -81.6 -22.9 20.7 -93.9 79.4 3 4 A I S > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.737 89.3 74.8 -84.5 -23.6 18.2 -92.9 76.7 4 5 A K G >> S+ 0 0 34 1,-0.2 3,-2.9 2,-0.2 4,-0.5 0.919 83.5 62.5 -56.7 -52.9 15.0 -94.2 78.5 5 6 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.798 119.1 30.2 -46.6 -30.1 14.6 -91.4 81.1 6 7 A I G <> S+ 0 0 38 -3,-0.9 4,-1.9 -4,-0.3 -2,-0.2 0.119 85.3 109.0-117.2 18.5 14.2 -89.0 78.2 7 8 A Y H X> S+ 0 0 32 -3,-2.9 4,-2.8 2,-0.2 3,-0.5 0.967 82.1 51.9 -56.7 -52.4 12.6 -91.3 75.6 8 9 A Q H 3X S+ 0 0 132 -4,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.898 105.7 56.8 -48.4 -44.3 9.3 -89.4 76.0 9 10 A D H 3> S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.918 111.5 42.3 -52.5 -45.6 11.3 -86.3 75.5 10 11 A I H XX S+ 0 0 1 -4,-1.9 4,-2.8 -3,-0.5 3,-0.7 0.976 106.1 59.3 -69.5 -56.5 12.5 -87.7 72.1 11 12 A N H 3X S+ 0 0 44 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.863 109.6 46.6 -37.1 -49.3 9.2 -89.1 71.0 12 13 A S H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.888 114.1 47.5 -62.6 -41.6 7.7 -85.6 71.2 13 14 A I H 0 0 113 0, 0.0 3,-0.8 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 178.0 18.2 -96.6 54.4 25 33 A A T 3 + 0 0 63 1,-0.2 98,-0.0 97,-0.1 0, 0.0 0.942 360.0 37.8 -65.6 -48.1 15.3 -94.4 53.2 26 34 A G T >> S+ 0 0 0 1,-0.2 3,-1.4 2,-0.1 4,-0.6 -0.020 71.7 134.2 -97.2 31.4 15.0 -92.4 56.4 27 35 A E H X> + 0 0 55 -3,-0.8 4,-1.1 1,-0.3 3,-0.8 0.796 64.3 68.5 -48.7 -35.2 18.7 -92.1 57.3 28 36 A P H >> S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.915 89.8 62.2 -49.5 -46.8 18.1 -88.4 58.0 29 37 A F H <> S+ 0 0 0 -3,-1.4 4,-2.4 1,-0.3 -2,-0.2 0.818 97.1 57.6 -53.4 -35.7 16.0 -89.2 61.1 30 38 A E H X S+ 0 0 19 -4,-3.3 3,-1.6 -5,-0.3 4,-1.1 0.931 111.1 47.3 -53.8 -54.8 19.3 -84.5 69.9 37 45 A L H >X S+ 0 0 0 -4,-2.2 4,-3.7 1,-0.3 3,-0.8 0.904 106.3 57.6 -56.3 -45.8 21.3 -86.8 72.1 38 46 A K H 3< S+ 0 0 36 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.648 108.0 51.1 -60.6 -13.3 24.5 -84.8 71.6 39 47 A E H << S+ 0 0 147 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.707 124.6 22.0 -97.1 -26.0 22.5 -81.9 73.1 40 48 A N H << S+ 0 0 98 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.2 0.675 140.2 26.7-113.1 -30.2 21.1 -83.5 76.2 41 49 A L S >X S+ 0 0 35 -4,-3.7 3,-1.5 -5,-0.3 4,-1.1 -0.370 77.9 143.6-124.4 52.3 23.6 -86.3 76.7 42 50 A S G >4 + 0 0 64 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.885 68.3 54.2 -60.3 -45.2 26.6 -84.7 75.0 43 51 A D G 34 S+ 0 0 139 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.376 116.5 41.2 -74.4 8.6 29.3 -86.1 77.3 44 52 A L G <4 S+ 0 0 38 -3,-1.5 66,-2.0 -7,-0.2 2,-0.4 0.515 91.9 99.0-124.9 -19.8 27.9 -89.6 76.6 45 53 A T E << +B 109 0A 5 -4,-1.1 2,-0.3 -3,-0.6 64,-0.2 -0.627 38.2 157.5 -91.7 129.5 27.2 -89.6 72.9 46 54 A F E -B 108 0A 31 62,-2.2 62,-2.9 -2,-0.4 2,-0.1 -0.980 39.7-130.1-143.4 131.2 29.5 -91.1 70.3 47 55 A K E > -B 107 0A 8 -2,-0.3 4,-0.9 60,-0.2 3,-0.2 -0.475 48.7-103.1 -63.3 156.1 29.0 -92.3 66.8 48 56 A Q H >> S+ 0 0 3 58,-0.6 3,-1.7 1,-0.3 4,-1.2 0.950 121.7 42.8 -54.5 -54.6 30.7 -95.7 66.9 49 57 A Y H 3> S+ 0 0 74 1,-0.3 4,-2.8 2,-0.2 48,-0.3 0.803 105.6 64.2 -59.6 -32.1 33.8 -94.6 65.1 50 58 A E H 3> S+ 0 0 46 1,-0.2 4,-1.3 -3,-0.2 -1,-0.3 0.698 101.2 52.0 -67.9 -17.6 34.0 -91.4 67.1 51 59 A Y H + 0 0 60 -3,-0.4 3,-1.2 -4,-0.2 -1,-0.3 -0.633 64.7 165.2-145.5 82.6 46.8 -92.5 74.4 60 68 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.735 75.0 66.4 -73.3 -23.1 49.0 -91.5 71.4 61 69 A A T 3 S+ 0 0 92 1,-0.1 2,-0.7 2,-0.0 -2,-0.0 0.328 84.7 87.1 -79.1 8.0 52.0 -93.3 72.8 62 70 A I < + 0 0 56 -3,-1.2 2,-0.2 -6,-0.2 -3,-0.1 -0.901 61.1 164.3-113.0 104.3 50.1 -96.6 72.1 63 71 A I + 0 0 119 -2,-0.7 4,-0.5 4,-0.0 5,-0.2 -0.653 30.1 43.1-118.9 168.6 50.6 -97.7 68.6 64 72 A G S > S- 0 0 20 25,-0.4 4,-1.6 -2,-0.2 5,-0.1 0.149 87.6 -86.8 75.9 159.3 50.1 -100.8 66.5 65 73 A H H > S+ 0 0 47 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.992 119.7 54.3 -66.6 -61.9 47.0 -103.0 66.7 66 74 A E H > S+ 0 0 78 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.837 114.0 41.8 -39.7 -53.3 47.9 -105.3 69.7 67 75 A A H >> S+ 0 0 40 -4,-0.5 3,-0.5 1,-0.2 4,-0.5 0.934 115.3 50.6 -63.8 -46.5 48.6 -102.5 72.0 68 76 A R H >< S+ 0 0 16 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.863 106.9 55.1 -58.8 -38.2 45.6 -100.5 70.8 69 77 A Y H >< S+ 0 0 37 -4,-3.2 3,-1.4 1,-0.3 4,-0.3 0.810 98.2 62.7 -65.5 -30.0 43.4 -103.6 71.3 70 78 A K H X< S+ 0 0 117 -4,-1.3 3,-0.9 -3,-0.5 -1,-0.3 0.701 87.0 76.5 -67.0 -17.0 44.6 -103.8 75.0 71 79 A L T << S+ 0 0 35 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.454 81.6 68.0 -74.9 -0.5 43.0 -100.4 75.4 72 80 A F T < S- 0 0 13 -3,-1.4 -1,-0.2 -4,-0.0 -2,-0.1 0.729 76.9-156.4 -92.6 -24.4 39.5 -101.9 75.5 73 81 A N S < S+ 0 0 153 -3,-0.9 -3,-0.1 -4,-0.3 -2,-0.1 0.680 70.4 82.1 56.3 16.7 39.7 -103.8 78.8 74 82 A S > - 0 0 8 1,-0.1 4,-3.2 2,-0.1 5,-0.2 -0.833 58.9-164.4-159.7 113.0 36.9 -106.0 77.4 75 83 A P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.868 99.8 51.0 -60.7 -39.1 36.9 -108.9 75.0 76 84 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.976 115.3 40.6 -62.7 -54.0 33.2 -108.5 74.5 77 85 A L H >>S+ 0 0 3 1,-0.3 4,-3.4 2,-0.2 5,-0.7 0.903 111.0 56.2 -62.1 -45.5 33.5 -104.8 73.6 78 86 A L H X5S+ 0 0 47 -4,-3.2 4,-0.9 1,-0.2 -1,-0.3 0.855 111.6 47.2 -51.8 -35.0 36.6 -105.3 71.6 79 87 A F H <5S+ 0 0 60 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.852 117.9 38.2 -78.4 -37.3 34.5 -107.8 69.6 80 88 A L H <5S+ 0 0 4 -4,-2.0 24,-0.5 -5,-0.1 25,-0.2 0.820 130.9 23.6 -81.0 -32.4 31.4 -105.6 69.2 81 89 A L H <5S+ 0 0 2 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.825 93.0 95.1-108.7 -37.9 33.2 -102.2 68.6 82 90 A S << - 0 0 21 -4,-0.9 3,-0.1 -5,-0.7 2,-0.1 -0.242 58.9-136.0 -68.6 146.6 36.8 -102.5 67.3 83 91 A R - 0 0 22 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.194 45.2 -53.7 -85.4-176.3 37.8 -102.3 63.7 84 92 A G > - 0 0 39 1,-0.1 4,-2.1 3,-0.1 -1,-0.2 0.071 43.8-115.7 -58.0 166.4 40.3 -104.5 61.8 85 93 A K H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -20,-0.1 0.896 120.8 43.8 -69.4 -40.7 43.9 -105.2 62.9 86 94 A A H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.795 114.5 51.3 -71.9 -29.3 45.2 -103.5 59.8 87 95 A A H 4 S+ 0 0 41 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 111.7 45.5 -76.2 -35.7 42.7 -100.7 60.3 88 96 A T H >< S+ 0 0 1 -4,-2.1 3,-0.8 2,-0.2 -24,-0.2 0.822 111.9 53.9 -75.1 -34.8 43.7 -100.2 63.9 89 97 A E H 3< S+ 0 0 88 -4,-1.8 -25,-0.4 1,-0.2 -2,-0.2 0.970 109.3 46.7 -58.4 -55.2 47.4 -100.3 62.9 90 98 A N T 3< S+ 0 0 104 -4,-1.9 2,-0.2 -5,-0.1 -1,-0.2 0.258 85.8 121.6 -81.2 13.3 46.9 -97.6 60.3 91 99 A W < + 0 0 15 -3,-0.8 2,-0.3 3,-0.0 -27,-0.2 -0.547 30.7 149.8 -74.9 140.5 45.0 -95.3 62.6 92 100 A S B > -F 95 0B 32 3,-0.6 3,-2.2 -2,-0.2 -35,-0.1 -0.968 61.2 -99.4-159.1 164.9 46.5 -91.9 63.2 93 101 A I T > S+ 0 0 97 1,-0.3 3,-0.6 -2,-0.3 -1,-0.1 0.901 129.8 46.0 -52.8 -41.0 45.3 -88.4 64.0 94 102 A E T 3 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.500 119.3 44.9 -78.0 -3.2 45.8 -87.6 60.3 95 103 A N B < S+F 92 0B 91 -3,-2.2 -3,-0.6 3,-0.0 -1,-0.2 -0.309 79.6 169.3-139.9 53.9 44.0 -90.9 59.5 96 104 A L < - 0 0 58 -3,-0.6 2,-0.2 -5,-0.2 -46,-0.1 -0.126 41.9 -89.2 -68.9 161.5 40.9 -91.2 61.7 97 105 A F - 0 0 15 -48,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.480 41.0-167.9 -69.6 136.8 38.1 -93.8 61.4 98 106 A E - 0 0 143 1,-0.2 2,-0.1 -2,-0.2 -49,-0.1 -0.207 45.3 -53.2 -98.9-160.4 35.2 -92.8 59.2 99 107 A E - 0 0 113 -2,-0.1 2,-0.4 -51,-0.1 -1,-0.2 -0.479 49.4-154.2 -73.0 149.5 31.9 -94.6 59.0 100 108 A K > - 0 0 78 1,-0.1 3,-1.8 -2,-0.1 -51,-0.1 -0.992 9.8-146.9-127.3 124.4 31.9 -98.4 58.4 101 109 A Q T 3 S+ 0 0 175 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.923 99.0 48.1 -52.6 -51.3 28.9 -100.0 56.8 102 110 A N T 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.328 84.8 134.6 -77.0 9.0 29.2 -103.3 58.6 103 111 A D < - 0 0 22 -3,-1.8 -22,-0.1 1,-0.1 -21,-0.0 -0.271 58.1-127.7 -65.4 147.0 29.7 -101.6 62.0 104 112 A T S S+ 0 0 33 -24,-0.5 2,-0.2 -23,-0.1 -23,-0.1 0.952 80.2 30.3 -58.5 -63.6 27.8 -102.9 65.0 105 113 A A - 0 0 6 -25,-0.2 -57,-0.2 1,-0.1 14,-0.2 -0.541 52.5-151.9-101.9 164.4 26.0 -99.8 66.5 106 114 A D S S+ 0 0 61 12,-1.1 -58,-0.6 1,-0.4 2,-0.3 0.813 88.8 12.1 -92.2 -47.5 24.5 -96.6 65.1 107 115 A I E -BC 47 118A 7 11,-2.7 11,-2.2 -60,-0.2 2,-0.4 -0.969 68.4-148.4-134.9 147.2 25.0 -94.6 68.3 108 116 A L E -BC 46 117A 0 -62,-2.9 -62,-2.2 -2,-0.3 2,-0.6 -0.957 5.3-167.3-122.1 130.4 27.0 -95.2 71.5 109 117 A L E +BC 45 116A 0 7,-2.7 7,-3.2 -2,-0.4 2,-0.4 -0.944 16.3 175.6-118.0 110.9 26.1 -94.0 75.0 110 118 A V E + C 0 115A 16 -66,-2.0 2,-0.3 -2,-0.6 5,-0.2 -0.880 9.7 159.0-116.8 145.8 28.8 -94.4 77.5 111 119 A K E > S- C 0 114A 20 3,-1.9 3,-2.0 -2,-0.4 -67,-0.1 -0.847 71.3 -9.9-164.2 127.9 29.0 -93.3 81.2 112 120 A D T 3 S- 0 0 160 1,-0.3 2,-0.3 -2,-0.3 3,-0.1 0.949 125.9 -54.3 41.1 72.3 31.2 -94.6 84.0 113 121 A Q T 3 S+ 0 0 73 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.411 112.5 119.1 49.9 -1.1 32.5 -97.5 82.0 114 122 A F E < -C 111 0A 51 -3,-2.0 -3,-1.9 -2,-0.3 2,-0.5 -0.799 50.9-151.1 -95.0 141.5 28.9 -98.8 81.3 115 123 A Y E -Cd 110 156A 26 40,-3.0 42,-2.5 -2,-0.4 2,-0.6 -0.924 17.5-170.8-122.5 124.1 27.9 -99.0 77.6 116 124 A E E -Cd 109 157A 0 -7,-3.2 -7,-2.7 -2,-0.5 2,-0.9 -0.940 14.1-157.8-106.0 119.1 24.5 -98.7 75.9 117 125 A L E -Cd 108 158A 4 40,-3.5 42,-1.7 -2,-0.6 2,-0.6 -0.824 13.9-166.8 -99.0 103.4 24.7 -99.6 72.2 118 126 A L E -Cd 107 159A 0 -11,-2.2 -11,-2.7 -2,-0.9 -12,-1.1 -0.809 10.7-166.0-102.0 120.1 21.8 -98.0 70.4 119 127 A D E - d 0 160A 20 40,-2.5 42,-2.5 -2,-0.6 2,-0.7 -0.840 12.0-149.8 -94.7 135.1 20.7 -98.9 66.9 120 128 A V E - d 0 161A 7 -2,-0.4 2,-0.3 40,-0.2 42,-0.2 -0.851 17.4-171.8-108.1 99.1 18.4 -96.5 65.3 121 129 A K E - d 0 162A 41 40,-2.6 42,-2.5 -2,-0.7 2,-0.3 -0.687 6.0-153.3 -94.1 142.2 16.1 -98.3 62.8 122 130 A T E - d 0 163A 34 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.807 7.0-161.2-113.8 154.9 13.7 -96.5 60.4 123 131 A R E - d 0 164A 42 40,-2.5 42,-2.8 -2,-0.3 2,-0.9 -0.973 20.7-144.6-145.0 129.2 10.4 -97.6 58.9 124 132 A N E - d 0 165A 63 -2,-0.4 3,-0.2 40,-0.2 42,-0.2 -0.785 19.0-174.0 -82.1 106.2 8.2 -96.6 56.0 125 133 A I S S+ 0 0 47 40,-2.6 41,-0.2 -2,-0.9 -1,-0.2 0.678 72.9 74.5 -80.4 -16.8 4.7 -97.3 57.4 126 134 A S S S+ 0 0 75 39,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.958 94.6 57.2 -55.8 -52.3 3.0 -96.6 54.1 127 135 A K S S- 0 0 59 -3,-0.2 2,-0.2 1,-0.2 3,-0.1 -0.031 107.2 -68.8 -76.4 178.7 4.2 -100.0 52.7 128 136 A S - 0 0 91 1,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.477 61.4 -93.4 -73.6 135.6 3.6 -103.5 54.0 129 137 A A + 0 0 66 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.183 46.2 177.0 -47.5 129.4 5.3 -104.4 57.3 130 138 A F - 0 0 177 -3,-0.1 72,-0.1 72,-0.0 -1,-0.1 -0.822 29.0-130.5-139.1 100.4 8.6 -106.1 56.7 131 139 A A - 0 0 28 -2,-0.3 72,-0.1 70,-0.1 2,-0.1 -0.250 30.1-141.1 -49.3 120.2 10.7 -107.0 59.8 132 140 A P - 0 0 45 0, 0.0 70,-1.1 0, 0.0 2,-0.3 -0.349 26.0 -84.6 -83.8 164.0 14.2 -105.7 59.2 133 141 A N E -G 201 0C 63 68,-0.2 68,-0.2 1,-0.2 3,-0.1 -0.519 42.7-179.6 -63.2 128.5 17.5 -107.3 60.1 134 142 A I E - 0 0 7 66,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.874 59.2 -32.2 -92.4 -60.2 18.3 -106.4 63.7 135 143 A I E S-G 200 0C 16 65,-0.6 65,-2.6 63,-0.0 -1,-0.4 -0.983 72.2 -79.2-159.4 157.1 21.6 -108.1 64.3 136 144 A S E > -G 199 0C 17 -2,-0.3 4,-2.6 63,-0.2 63,-0.2 -0.465 29.3-148.9 -63.6 126.3 23.5 -111.2 63.2 137 145 A A H > S+ 0 0 0 61,-3.0 4,-1.7 -2,-0.2 -1,-0.2 0.861 102.0 49.9 -60.0 -36.5 22.3 -114.2 65.1 138 146 A Y H > S+ 0 0 75 60,-0.5 4,-2.1 2,-0.2 5,-0.2 0.939 109.5 47.6 -69.3 -48.9 25.8 -115.5 64.8 139 147 A K H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 111.7 51.5 -58.3 -45.1 27.5 -112.3 66.0 140 148 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.890 106.1 57.7 -57.2 -39.8 25.1 -112.2 68.9 141 149 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.941 108.2 42.7 -57.7 -53.4 26.1 -115.8 69.6 142 150 A Q H X S+ 0 0 48 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.943 110.9 58.6 -58.5 -44.1 29.8 -115.1 70.0 143 151 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.942 108.7 43.7 -49.0 -55.6 28.8 -112.0 72.0 144 152 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.919 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172.0 34.4 -90.3 33.0 268 19 B K 0 0 117 147,-0.2 147,-0.2 -3,-0.1 -1,-0.0 -0.959 360.0 360.0-150.1 360.0 33.5 -89.2 36.5 269 ! 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 0.0 270 36 B P 0 0 136 0, 0.0 2,-0.5 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 -69.9 28.2 -96.8 46.2 271 37 B F - 0 0 36 2,-0.0 2,-0.6 0, 0.0 94,-0.1 -0.926 360.0-147.3-113.4 120.0 28.3 -94.8 43.0 272 38 B E - 0 0 106 -2,-0.5 2,-0.4 92,-0.1 91,-0.0 -0.744 10.4-156.0 -87.8 118.2 26.0 -95.6 40.0 273 39 B K - 0 0 34 -2,-0.6 3,-0.1 1,-0.1 132,-0.0 -0.819 20.1-122.5 -95.3 131.3 27.5 -94.9 36.6 274 40 B L + 0 0 115 -2,-0.4 2,-0.9 1,-0.2 -1,-0.1 0.842 51.2 145.8 -34.5 -97.0 25.0 -94.3 33.7 275 41 B V > + 0 0 4 1,-0.2 4,-2.0 -15,-0.1 -1,-0.2 -0.065 66.0 79.4 74.7 -34.6 25.7 -96.8 30.9 276 42 B Y H > S+ 0 0 90 -2,-0.9 4,-2.4 2,-0.2 5,-0.2 0.940 85.8 58.2 -63.6 -46.9 21.9 -96.8 30.3 277 43 B K H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 108.5 44.5 -46.1 -55.3 22.2 -93.5 28.5 278 44 B F H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.941 110.5 52.1 -57.9 -54.3 24.6 -95.0 25.9 279 45 B L H < S+ 0 0 6 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.857 107.5 56.4 -53.1 -36.5 22.6 -98.2 25.4 280 46 B K H < S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.934 108.3 45.8 -59.4 -49.9 19.6 -96.0 24.7 281 47 B E H >< S+ 0 0 158 -4,-1.7 3,-0.7 -3,-0.3 -2,-0.2 0.960 119.2 34.1 -61.8 -58.3 21.3 -94.0 21.9 282 48 B N T 3< S+ 0 0 85 -4,-1.9 2,-1.9 1,-0.3 3,-0.2 0.990 132.9 21.1 -66.4 -83.8 22.9 -96.8 19.9 283 49 B L T > S+ 0 0 41 -4,-0.3 3,-0.7 1,-0.2 -1,-0.3 -0.506 85.6 164.3 -82.6 67.5 20.6 -99.9 20.0 284 50 B S G X + 0 0 73 -2,-1.9 3,-1.2 -3,-0.7 -1,-0.2 0.897 63.7 47.8 -56.3 -54.6 17.8 -97.6 20.9 285 51 B D G 3 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.2 67,-0.1 0.746 107.9 58.7 -62.1 -23.5 14.8 -99.8 20.3 286 52 B L G < S+ 0 0 42 -3,-0.7 66,-1.1 -7,-0.2 2,-0.4 0.257 88.7 83.8 -98.7 13.1 16.3 -102.7 22.2 287 53 B T E < +I 351 0D 8 -3,-1.2 2,-0.3 64,-0.2 64,-0.2 -0.919 43.0 171.3-125.1 144.5 16.9 -101.3 25.7 288 54 B F E -I 350 0D 38 62,-2.0 62,-3.1 -2,-0.4 2,-0.9 -0.996 39.8-128.4-148.2 140.9 14.7 -100.9 28.8 289 55 B K - 0 0 69 -2,-0.3 2,-1.7 60,-0.2 3,-0.3 -0.083 60.5-108.4 -78.5 37.6 15.4 -99.9 32.4 290 56 B Q S >> S+ 0 0 2 -2,-0.9 3,-1.5 1,-0.3 4,-1.3 -0.514 114.9 47.2 77.2 -84.1 13.5 -103.0 33.4 291 57 B Y H 3> S+ 0 0 65 -2,-1.7 4,-2.8 1,-0.3 5,-0.3 0.865 102.6 67.2 -59.5 -33.2 10.2 -101.7 34.7 292 58 B E H 3> S+ 0 0 26 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.860 100.2 51.3 -52.3 -34.2 10.1 -99.5 31.7 293 59 B Y H <> S+ 0 0 21 -3,-1.5 4,-4.3 2,-0.2 -1,-0.2 0.928 108.6 48.9 -69.2 -45.7 9.7 -102.8 29.9 294 60 B L H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.979 113.0 46.1 -57.4 -59.3 6.8 -103.8 32.1 295 61 B N H X S+ 0 0 15 -4,-2.8 4,-3.9 2,-0.2 3,-0.2 0.943 116.2 48.4 -44.4 -53.7 5.0 -100.5 31.7 296 62 B D H X S+ 0 0 74 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.968 108.8 51.6 -49.8 -62.7 5.7 -100.9 28.0 297 63 B L H < S+ 0 0 21 -4,-4.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.4 38.8 -45.1 -38.3 4.5 -104.4 27.9 298 64 B F H >< S+ 0 0 4 -4,-2.6 3,-2.0 -3,-0.2 -1,-0.2 0.872 109.3 59.3 -83.8 -39.8 1.2 -103.3 29.6 299 65 B M H 3< S+ 0 0 102 -4,-3.9 -2,-0.2 -5,-0.3 -3,-0.2 0.767 103.9 53.4 -59.2 -26.9 0.9 -100.0 27.7 300 66 B K T 3< S+ 0 0 74 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.444 113.4 45.0 -88.8 -1.0 0.8 -102.0 24.4 301 67 B N X + 0 0 57 -3,-2.0 3,-2.2 -5,-0.2 -1,-0.2 -0.280 57.4 147.5-135.9 52.1 -2.0 -104.0 25.8 302 68 B P T 3 + 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.664 65.8 80.9 -60.8 -12.1 -4.5 -101.7 27.5 303 69 B A T 3 S+ 0 0 97 -5,-0.1 2,-0.4 -3,-0.1 -2,-0.0 0.717 89.7 57.7 -65.6 -22.7 -7.1 -104.2 26.3 304 70 B I < + 0 0 35 -3,-2.2 2,-0.2 -6,-0.2 -3,-0.1 -0.903 57.2 169.2-120.7 142.1 -6.3 -106.4 29.3 305 71 B I + 0 0 124 -2,-0.4 4,-0.3 29,-0.0 26,-0.1 -0.740 39.7 65.2-132.4-177.8 -6.4 -106.0 33.1 306 72 B G S > S- 0 0 15 25,-0.4 4,-1.3 -2,-0.2 5,-0.1 0.202 81.4 -98.1 74.7 154.7 -6.1 -108.2 36.1 307 73 B H H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.899 117.3 51.3 -80.3 -43.3 -3.0 -110.1 37.0 308 74 B E H > S+ 0 0 150 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.912 113.7 47.6 -59.9 -41.8 -3.7 -113.6 35.6 309 75 B A H >4 S+ 0 0 45 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.900 115.0 45.8 -62.4 -41.0 -4.6 -112.0 32.3 310 76 B R H >< S+ 0 0 9 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.703 103.2 62.2 -79.3 -21.6 -1.4 -109.8 32.3 311 77 B Y H >< S+ 0 0 45 -4,-2.2 3,-0.8 1,-0.2 5,-0.4 0.692 96.9 61.0 -74.6 -19.1 0.9 -112.7 33.3 312 78 B K T << S+ 0 0 72 -4,-0.7 3,-0.5 -3,-0.5 -1,-0.2 0.570 84.9 76.6 -82.5 -10.2 -0.1 -114.4 30.0 313 79 B L T < S+ 0 0 39 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.570 88.6 60.6 -73.0 -9.4 1.4 -111.4 28.2 314 80 B F S < S- 0 0 15 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.2 0.759 81.4-164.1 -84.9 -27.5 4.8 -112.9 29.0 315 81 B N + 0 0 147 -3,-0.5 -3,-0.1 -4,-0.3 -2,-0.1 0.815 63.6 93.7 44.2 33.2 4.0 -116.1 27.0 316 82 B S > - 0 0 9 -5,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.793 60.6-163.2-159.6 105.4 6.9 -117.4 29.0 317 83 B P H > S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.923 99.8 45.2 -48.9 -48.3 6.9 -119.3 32.4 318 84 B T H > S+ 0 0 0 2,-0.2 4,-1.0 70,-0.2 71,-0.1 0.896 115.2 43.4 -70.8 -43.9 10.6 -118.6 32.7 319 85 B L H >>>S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.6 0.909 107.9 61.5 -68.0 -42.1 10.5 -114.9 31.8 320 86 B L H 3X5S+ 0 0 50 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.893 102.8 53.4 -43.1 -44.6 7.4 -114.4 33.9 321 87 B F H 3<5S+ 0 0 63 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.827 114.8 34.7 -68.0 -35.7 9.5 -115.5 36.9 322 88 B L H <<5S+ 0 0 6 -4,-1.0 24,-0.6 -3,-0.6 -1,-0.2 0.878 127.3 28.9 -89.9 -41.0 12.4 -113.0 36.5 323 89 B L H <5S+ 0 0 2 -4,-2.3 -3,-0.2 22,-0.1 -2,-0.1 0.840 95.4 95.5 -94.2 -35.8 10.8 -109.8 35.2 324 90 B S << - 0 0 25 -4,-1.2 2,-0.2 -5,-0.6 3,-0.1 -0.144 63.6-131.2 -68.1 150.1 7.2 -109.8 36.4 325 91 B R - 0 0 41 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 -0.613 41.0 -76.1 -94.0 158.5 5.9 -108.1 39.5 326 92 B G > - 0 0 51 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.105 48.8-100.6 -53.7 150.3 3.7 -109.7 42.2 327 93 B K H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.774 118.1 52.2 -39.2 -45.4 -0.0 -110.3 41.5 328 94 B A H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.988 109.3 44.1 -60.8 -65.1 -1.1 -107.2 43.5 329 95 B A H 4 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.827 115.1 52.6 -53.5 -35.9 1.1 -104.5 41.9 330 96 B T H >< S+ 0 0 0 -4,-2.1 3,-3.0 2,-0.2 -1,-0.2 0.991 109.5 46.9 -58.6 -62.8 0.2 -106.0 38.5 331 97 B E H 3< S+ 0 0 92 -4,-2.6 -25,-0.4 1,-0.3 -2,-0.2 0.872 112.6 51.4 -45.1 -45.7 -3.6 -105.8 39.2 332 98 B N T 3< S+ 0 0 110 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.3 0.245 85.4 118.3 -82.1 13.4 -3.1 -102.3 40.4 333 99 B W < + 0 0 6 -3,-3.0 2,-0.3 -5,-0.2 -27,-0.2 -0.731 32.3 155.4 -86.5 126.0 -1.3 -101.3 37.2 334 100 B S > - 0 0 52 -2,-0.5 3,-1.8 3,-0.3 -35,-0.1 -0.918 59.5-100.4-139.0 164.0 -2.9 -98.6 35.1 335 101 B I T 3 S+ 0 0 112 -2,-0.3 3,-0.2 1,-0.3 -2,-0.0 0.513 128.3 45.8 -65.9 -1.3 -1.5 -96.1 32.6 336 102 B E T 3 S+ 0 0 166 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.436 114.3 47.3-115.2 -9.3 -1.7 -93.6 35.4 337 103 B N S < S+ 0 0 98 -3,-1.8 -3,-0.3 3,-0.0 -2,-0.1 -0.390 80.1 164.6-130.5 55.0 -0.2 -95.9 38.1 338 104 B L - 0 0 76 -3,-0.2 2,-0.3 -5,-0.2 -46,-0.1 0.114 43.6 -75.0 -68.0-177.5 2.9 -97.3 36.4 339 105 B F - 0 0 18 -48,-0.2 2,-0.2 -6,-0.0 -1,-0.1 -0.643 40.4-159.0 -86.7 133.7 5.9 -99.1 38.1 340 106 B E - 0 0 74 -2,-0.3 2,-0.0 1,-0.1 -3,-0.0 -0.582 44.7 -66.1 -98.9 170.1 8.5 -97.1 40.0 341 107 B E - 0 0 78 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.323 51.3-167.8 -59.4 131.4 12.0 -98.4 40.7 342 108 B K > - 0 0 38 1,-0.1 3,-1.3 -3,-0.1 -51,-0.1 -0.988 19.6-144.8-121.8 134.2 12.1 -101.5 43.0 343 109 B Q T 3 S+ 0 0 186 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.907 95.4 65.1 -63.8 -41.8 15.3 -102.7 44.5 344 110 B N T 3 S+ 0 0 127 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.481 73.2 125.1 -62.4 -3.4 14.4 -106.4 44.3 345 111 B D < - 0 0 33 -3,-1.3 -22,-0.1 1,-0.1 -23,-0.0 -0.370 58.6-140.8 -63.5 134.9 14.4 -106.2 40.5 346 112 B T S S+ 0 0 22 -24,-0.6 -1,-0.1 -2,-0.1 2,-0.1 0.993 78.8 47.2 -56.5 -72.8 16.6 -108.9 39.0 347 113 B A - 0 0 6 -25,-0.2 14,-0.2 1,-0.1 3,-0.1 -0.383 57.8-156.9 -78.3 147.2 18.1 -107.0 36.0 348 114 B D S S+ 0 0 65 12,-1.0 2,-0.3 1,-0.4 13,-0.2 0.784 89.9 9.3 -83.2 -32.0 19.7 -103.5 36.2 349 115 B I E S- J 0 360D 5 11,-2.7 11,-1.7 -60,-0.1 2,-0.5 -0.994 70.7-150.8-150.2 143.1 19.0 -103.2 32.4 350 116 B L E -IJ 288 359D 0 -62,-3.1 -62,-2.0 -2,-0.3 2,-0.5 -0.963 7.7-173.2-126.7 122.5 17.1 -105.3 29.9 351 117 B L E +IJ 287 358D 6 7,-2.6 7,-3.8 -2,-0.5 2,-0.4 -0.959 12.1 179.9-113.2 123.2 17.8 -105.6 26.2 352 118 B V E + J 0 357D 20 -66,-1.1 2,-0.3 -2,-0.5 5,-0.2 -0.941 7.9 159.4-124.5 147.1 15.3 -107.6 24.1 353 119 B K E > + J 0 356D 12 3,-2.8 3,-0.6 -2,-0.4 -2,-0.0 -0.929 65.8 2.1-162.5 139.4 15.2 -108.4 20.4 354 120 B D T 3 S- 0 0 170 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.837 130.9 -55.2 55.1 35.8 13.5 -111.0 18.1 355 121 B Q T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.928 115.5 122.7 56.8 44.8 11.7 -112.4 21.2 356 122 B F E < -J 353 0D 46 -3,-0.6 -3,-2.8 2,-0.0 2,-0.5 -0.998 48.5-150.9-134.9 136.9 15.1 -112.8 22.8 357 123 B Y E -Jk 352 398D 31 40,-3.4 42,-2.5 -2,-0.4 2,-0.6 -0.902 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