==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 24-OCT-08 3F02 . COMPND 2 MOLECULE: NEUROSERPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.RICAGNO,G.SORRENTINO,S.CACCIA,M.BOLOGNESI . 721 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 70 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 1 0 1 2 1 0 2 4 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 10 0 2 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 24 A E > 0 0 175 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.9 21.7 24.0 66.5 2 25 A A H > + 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 360.0 53.8 -41.2 -60.0 23.4 21.3 68.4 3 26 A I H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.734 103.7 60.9 -51.4 -25.7 21.5 18.9 66.1 4 27 A A H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.963 108.9 37.0 -69.8 -54.4 23.1 20.9 63.3 5 28 A D H X S+ 0 0 81 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.849 117.8 55.3 -64.4 -35.3 26.7 20.1 64.3 6 29 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.920 106.7 48.4 -65.4 -48.5 25.5 16.6 65.2 7 30 A S H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 114.3 45.9 -59.2 -42.3 24.0 16.0 61.9 8 31 A V H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.873 112.6 50.2 -74.5 -35.7 27.1 17.2 60.1 9 32 A N H X S+ 0 0 84 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.938 113.2 45.5 -67.6 -41.7 29.5 15.2 62.3 10 33 A M H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.891 111.8 52.8 -72.5 -35.3 27.5 12.0 61.8 11 34 A Y H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.870 105.6 54.1 -65.4 -39.6 27.3 12.6 58.1 12 35 A N H X S+ 0 0 51 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.893 106.9 51.1 -65.7 -39.7 31.0 13.0 57.8 13 36 A R H X S+ 0 0 85 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.914 109.6 50.9 -59.9 -40.9 31.6 9.7 59.6 14 37 A L H X S+ 0 0 5 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.792 108.1 51.8 -72.1 -27.1 29.2 8.1 57.1 15 38 A R H < S+ 0 0 64 -4,-1.6 3,-0.3 2,-0.2 -1,-0.2 0.866 109.3 52.1 -72.0 -35.3 31.1 9.6 54.1 16 39 A A H < S+ 0 0 72 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.866 120.3 31.4 -69.6 -36.9 34.2 8.2 55.6 17 40 A T H < S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.374 109.3 72.3-104.5 1.9 32.9 4.7 55.9 18 41 A G S >< S- 0 0 2 -4,-0.5 3,-2.8 -3,-0.3 -1,-0.2 -0.119 70.6-162.2-117.8 33.4 30.6 4.9 52.9 19 42 A E T 3 S- 0 0 152 -3,-0.3 3,-0.1 1,-0.3 -3,-0.1 0.220 73.1 -31.6 -13.8 100.8 32.8 4.8 49.8 20 43 A D T 3 S+ 0 0 114 -5,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.652 106.7 126.7 57.9 16.7 30.7 6.1 46.9 21 44 A E < - 0 0 95 -3,-2.8 -1,-0.2 1,-0.1 -3,-0.1 -0.652 67.9 -91.7-100.3 163.6 27.4 4.7 48.2 22 45 A N - 0 0 35 -2,-0.2 2,-0.4 334,-0.1 334,-0.2 -0.309 41.5-153.1 -60.4 153.2 24.1 6.4 48.8 23 46 A I E +A 355 0A 0 332,-1.9 332,-1.9 239,-0.0 2,-0.3 -0.999 21.3 162.6-131.7 138.9 23.6 7.8 52.3 24 47 A L E +A 354 0A 0 -2,-0.4 2,-0.3 330,-0.2 330,-0.2 -0.892 11.4 138.0-153.0 128.1 20.4 8.4 54.3 25 48 A F E -A 353 0A 0 328,-2.2 328,-2.4 -2,-0.3 3,-0.1 -0.977 44.1-118.9-155.1 172.1 19.8 9.0 58.0 26 49 A S > - 0 0 0 -2,-0.3 4,-1.8 326,-0.2 326,-0.2 -0.917 14.9-173.9-118.5 104.0 17.8 11.0 60.5 27 50 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.841 88.9 58.1 -63.7 -31.1 19.9 13.1 62.9 28 51 A L H > S+ 0 0 7 322,-0.6 4,-2.0 323,-0.4 5,-0.2 0.917 105.8 46.6 -61.3 -50.5 16.7 13.9 64.8 29 52 A S H > S+ 0 0 0 322,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.884 112.3 51.3 -59.2 -41.5 15.8 10.3 65.5 30 53 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.889 109.4 50.2 -67.8 -39.0 19.4 9.6 66.6 31 54 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.866 110.2 49.6 -64.9 -40.0 19.3 12.6 69.0 32 55 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 112.2 48.5 -67.0 -40.3 15.9 11.5 70.5 33 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 113.5 45.5 -64.6 -42.8 17.3 8.0 71.1 34 57 A M H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.714 108.0 59.7 -75.9 -21.8 20.5 9.3 72.7 35 58 A G H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.929 106.7 45.8 -67.9 -47.9 18.3 11.6 74.7 36 59 A M H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.919 113.1 49.5 -63.1 -42.6 16.5 8.6 76.2 37 60 A M H >X S+ 0 0 5 -4,-2.1 3,-1.8 1,-0.2 4,-1.1 0.915 105.5 58.2 -61.0 -39.2 19.8 6.8 76.8 38 61 A E H 3< S+ 0 0 1 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.831 95.7 62.7 -65.4 -31.1 21.2 9.9 78.5 39 62 A L H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.768 107.4 45.4 -62.3 -24.8 18.4 9.8 81.0 40 63 A G H << S+ 0 0 0 -3,-1.8 247,-2.1 -4,-0.6 248,-0.9 0.716 99.6 88.3 -91.1 -23.6 19.8 6.5 82.1 41 64 A A < + 0 0 0 -4,-1.1 2,-0.3 -3,-0.3 244,-0.2 -0.315 51.3 178.8 -81.2 156.0 23.4 7.5 82.2 42 65 A Q >> - 0 0 53 242,-2.1 3,-1.7 -2,-0.1 4,-1.3 -0.925 44.3 -4.3-145.2 178.2 25.4 9.0 85.1 43 66 A G H 3> S- 0 0 48 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 -0.092 126.8 -1.3 39.6-122.5 28.8 10.2 86.1 44 67 A S H 3> S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.785 134.8 54.4 -66.5 -29.7 31.4 9.6 83.5 45 68 A T H <> S+ 0 0 1 -3,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.883 111.2 44.0 -79.2 -36.4 29.1 7.9 81.1 46 69 A Q H X S+ 0 0 54 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.839 110.5 54.8 -73.6 -35.7 26.6 10.8 81.0 47 70 A K H X S+ 0 0 159 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.834 106.8 51.9 -70.2 -30.2 29.3 13.5 80.8 48 71 A E H X S+ 0 0 45 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.872 111.1 46.3 -79.6 -36.8 30.7 11.8 77.7 49 72 A I H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 5,-0.2 0.934 111.1 52.0 -64.8 -50.8 27.4 11.7 76.0 50 73 A R H X>S+ 0 0 49 -4,-2.6 5,-3.5 1,-0.2 4,-0.7 0.911 113.8 44.0 -55.8 -42.5 26.6 15.3 76.9 51 74 A H H ><5S+ 0 0 119 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.923 112.6 50.4 -69.7 -43.0 29.9 16.5 75.5 52 75 A S H 3<5S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.769 112.6 47.1 -69.9 -24.8 29.7 14.4 72.3 53 76 A M H 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.582 118.0-113.6 -93.6 -11.9 26.3 15.6 71.6 54 77 A G T <<5S+ 0 0 39 -3,-0.7 3,-0.3 -4,-0.7 -3,-0.2 0.737 77.3 128.3 87.0 30.3 27.4 19.2 72.3 55 78 A Y < + 0 0 23 -5,-3.5 -4,-0.2 -6,-0.2 -5,-0.1 0.459 37.7 98.5 -96.8 -2.8 25.2 19.8 75.4 56 79 A D 0 0 83 -6,-0.6 -1,-0.2 -5,-0.1 -5,-0.1 0.903 360.0 360.0 -49.9 -48.8 28.0 21.0 77.6 57 80 A S 0 0 140 -3,-0.3 -2,-0.1 -6,-0.1 -3,-0.0 0.822 360.0 360.0 -69.4 360.0 26.9 24.6 76.9 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 85 A E >> 0 0 107 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -97.7 18.2 20.7 79.8 60 86 A E H 3> + 0 0 17 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.563 360.0 71.9 -62.4 -16.6 18.9 19.5 76.3 61 87 A F H 3> S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.789 90.6 54.2 -72.9 -28.4 15.8 17.5 77.4 62 88 A S H <> S+ 0 0 53 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.881 109.9 45.6 -74.2 -37.9 13.7 20.6 77.2 63 89 A F H < S+ 0 0 72 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 112.6 51.8 -70.5 -34.4 14.8 21.2 73.6 64 90 A L H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 106.3 53.7 -74.8 -30.3 14.2 17.5 72.8 65 91 A K H < S+ 0 0 105 -4,-1.5 2,-5.8 1,-0.2 -1,-0.2 0.845 81.7 91.2 -70.2 -31.7 10.7 17.7 74.2 66 92 A E < 0 0 136 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.033 360.0 360.0 -64.3 41.3 9.9 20.6 72.0 67 93 A F 0 0 95 -2,-5.8 -1,-0.2 -3,-0.1 6,-0.1 -0.506 360.0 360.0-142.3 360.0 8.7 18.0 69.5 68 ! 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 69 104 A Y 0 0 113 0, 0.0 2,-0.4 0, 0.0 84,-0.2 0.000 360.0 360.0 360.0 163.9 1.3 16.9 55.7 70 105 A V E +I 152 0B 58 82,-3.5 82,-2.4 2,-0.0 2,-0.3 -0.964 360.0 171.2-116.1 132.9 2.0 14.2 58.2 71 106 A M E +I 151 0B 55 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.899 9.3 173.7-142.6 112.6 4.8 14.4 60.8 72 107 A K E -I 150 0B 135 78,-2.8 78,-2.3 -2,-0.3 2,-0.4 -0.972 13.4-175.8-128.5 135.2 5.0 11.8 63.6 73 108 A I E +I 149 0B 56 -2,-0.4 2,-0.4 76,-0.2 76,-0.2 -0.989 14.2 175.2-129.3 121.8 7.5 11.1 66.3 74 109 A A E -I 148 0B 22 74,-2.4 74,-2.6 -2,-0.4 2,-0.3 -0.983 12.3-168.0-134.3 140.7 7.1 8.2 68.6 75 110 A N E -I 147 0B 15 23,-0.4 25,-2.6 -2,-0.4 2,-0.3 -0.941 8.4-178.7-122.6 144.7 9.1 6.6 71.4 76 111 A S E -Ij 146 100B 0 70,-2.4 70,-2.7 -2,-0.3 2,-0.4 -0.999 14.5-152.3-145.8 150.8 8.7 3.2 73.2 77 112 A L E -Ij 145 101B 0 23,-3.3 25,-3.0 -2,-0.3 2,-0.5 -0.976 3.6-163.7-123.9 127.7 10.4 1.3 75.9 78 113 A F E -Ij 144 102B 1 66,-3.2 66,-2.4 -2,-0.4 2,-0.4 -0.975 16.5-172.8-115.4 118.2 10.4 -2.5 76.2 79 114 A V E -Ij 143 103B 1 23,-2.9 25,-2.3 -2,-0.5 64,-0.2 -0.923 28.2-108.0-120.2 132.7 11.4 -3.7 79.6 80 115 A Q E > - j 0 104B 36 62,-2.6 3,-2.3 -2,-0.4 25,-0.2 -0.292 48.5 -95.6 -58.6 135.3 12.1 -7.2 80.8 81 116 A N T 3 S+ 0 0 86 23,-2.3 -1,-0.1 1,-0.3 3,-0.1 -0.297 110.3 12.6 -53.7 131.0 9.3 -8.6 83.1 82 117 A G T 3 S+ 0 0 62 1,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.511 90.6 136.4 78.4 4.3 10.1 -8.1 86.7 83 118 A F < - 0 0 22 -3,-2.3 2,-1.0 59,-0.1 -1,-0.3 -0.787 52.3-137.0 -84.4 121.4 13.0 -5.7 85.9 84 119 A H - 0 0 155 -2,-0.6 2,-0.4 -3,-0.1 206,-0.4 -0.688 20.8-167.3 -91.5 101.8 12.8 -2.8 88.3 85 120 A V - 0 0 16 -2,-1.0 204,-0.2 204,-0.1 5,-0.1 -0.742 34.9 -93.5 -92.2 129.8 13.4 0.5 86.5 86 121 A N > - 0 0 34 202,-1.8 4,-2.1 -2,-0.4 3,-0.5 -0.111 26.6-137.0 -39.9 124.2 14.0 3.6 88.4 87 122 A E H > S+ 0 0 140 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.825 105.4 55.1 -54.9 -33.7 10.8 5.5 89.0 88 123 A E H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.878 105.2 50.8 -71.3 -39.1 12.6 8.7 88.2 89 124 A F H > S+ 0 0 4 -3,-0.5 4,-2.4 198,-0.2 -2,-0.2 0.935 111.2 49.4 -62.7 -43.6 13.8 7.4 84.8 90 125 A L H X S+ 0 0 63 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.902 110.6 50.0 -66.7 -38.9 10.3 6.4 84.0 91 126 A Q H X S+ 0 0 113 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.931 113.8 42.9 -66.5 -49.6 8.9 9.8 85.0 92 127 A M H X>S+ 0 0 52 -4,-2.5 4,-3.1 1,-0.2 5,-0.5 0.865 109.6 59.1 -61.3 -38.6 11.4 11.8 82.9 93 128 A M H X5S+ 0 0 1 -4,-2.4 6,-1.4 -5,-0.3 4,-1.3 0.884 111.7 40.9 -64.1 -34.3 10.9 9.3 80.0 94 129 A K H X5S+ 0 0 147 -4,-1.7 4,-1.2 4,-0.2 -2,-0.2 0.913 116.4 49.6 -78.7 -40.0 7.2 10.2 80.0 95 130 A K H <5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.925 125.0 24.2 -64.5 -47.6 7.8 13.9 80.5 96 131 A Y H <5S+ 0 0 33 -4,-3.1 -1,-0.2 -5,-0.1 -3,-0.2 0.726 139.4 20.6 -97.0 -24.7 10.3 14.4 77.8 97 132 A F H < - 0 0 47 -2,-0.3 3,-1.6 -25,-0.2 7,-0.2 -0.920 22.4-168.8-105.2 100.9 10.0 -11.5 78.1 106 141 A F T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 35,-0.3 34,-0.1 0.671 82.4 69.5 -66.2 -16.5 13.1 -11.1 76.0 107 142 A S T 3 S+ 0 0 60 1,-0.2 2,-2.1 32,-0.1 -1,-0.3 0.783 84.7 71.0 -72.2 -27.4 13.8 -14.9 76.4 108 143 A Q S <> S+ 0 0 114 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 -0.543 75.0 172.0 -83.8 70.2 10.8 -15.4 74.1 109 144 A N H > + 0 0 58 -2,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.772 64.9 47.2 -66.3 -30.1 13.0 -14.0 71.4 110 145 A V H > S+ 0 0 80 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 114.9 48.2 -71.5 -47.5 10.8 -14.7 68.3 111 146 A A H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.889 113.2 46.8 -58.4 -45.0 7.8 -13.2 70.0 112 147 A V H X S+ 0 0 5 -4,-2.4 4,-2.7 -7,-0.2 5,-0.3 0.889 110.8 51.2 -72.9 -40.1 9.6 -10.1 71.2 113 148 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.932 112.2 47.9 -58.4 -45.1 11.2 -9.4 67.9 114 149 A N H X S+ 0 0 97 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.897 112.9 49.0 -62.2 -38.4 7.8 -9.7 66.2 115 150 A Y H X S+ 0 0 111 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.923 114.1 43.5 -71.4 -46.4 6.2 -7.4 68.8 116 151 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.929 114.0 51.2 -67.4 -43.7 8.9 -4.7 68.5 117 152 A N H X S+ 0 0 16 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.872 107.4 53.8 -61.6 -35.8 8.9 -4.9 64.7 118 153 A K H X S+ 0 0 111 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.921 107.6 50.6 -64.3 -42.5 5.1 -4.5 64.7 119 154 A W H X S+ 0 0 39 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.937 110.7 49.7 -60.2 -41.6 5.5 -1.4 66.8 120 155 A V H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.940 112.0 47.1 -63.7 -44.6 8.1 -0.1 64.3 121 156 A E H ><>S+ 0 0 54 -4,-2.5 5,-2.3 1,-0.3 3,-1.4 0.909 108.0 56.6 -61.4 -42.8 5.8 -0.8 61.3 122 157 A N H 3<5S+ 0 0 95 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.612 113.5 40.6 -65.3 -15.4 2.9 0.8 63.1 123 158 A N T <<5S+ 0 0 50 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.208 117.4 44.8-123.9 10.9 4.9 4.1 63.4 124 159 A T T X 5S- 0 0 0 -3,-1.4 3,-1.7 -4,-0.3 -2,-0.2 0.174 109.0-108.1-137.7 16.8 6.6 4.2 60.0 125 160 A N T 3 5S- 0 0 82 -4,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.870 76.7 -64.4 51.5 34.5 3.6 3.3 57.7 126 161 A N T 3 - 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