==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE 23-JUL-96 1WPO . COMPND 2 MOLECULE: HUMAN CYTOMEGALOVIRUS PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 5; . AUTHOR L.TONG . 419 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 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 . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 1 0 4 1 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 4 0 3 3 0 0 0 4 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 0 0 0 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 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 9 A Q 0 0 200 0, 0.0 98,-0.2 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 -53.8 36.8 -8.6 2.6 2 10 A A + 0 0 0 96,-0.1 2,-0.1 97,-0.1 72,-0.1 -0.158 360.0 72.1 166.6 -51.6 38.3 -7.8 6.0 3 11 A V S S+ 0 0 70 70,-0.1 71,-0.1 71,-0.1 70,-0.0 0.100 75.5 103.1 -75.8 24.9 41.3 -10.0 6.4 4 12 A A S S- 0 0 43 -2,-0.1 63,-0.0 1,-0.1 0, 0.0 -0.840 93.6 -91.1 -97.5 143.0 43.0 -7.8 3.8 5 13 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 63,-0.2 -0.232 36.2-144.9 -59.2 150.2 45.3 -5.5 5.8 6 14 A V E -A 67 0A 0 61,-1.8 61,-3.1 93,-0.0 2,-0.3 -0.953 12.1-142.6-114.3 130.9 44.0 -2.2 6.9 7 15 A Y E -AB 66 137A 67 130,-2.7 130,-1.9 -2,-0.5 2,-0.4 -0.748 13.7-166.2 -94.8 150.2 46.4 0.8 6.9 8 16 A V E +AB 65 136A 2 57,-2.6 57,-3.7 -2,-0.3 2,-0.3 -0.999 10.5 170.4-136.2 134.1 46.3 3.4 9.6 9 17 A G E +AB 64 135A 0 126,-1.9 126,-2.7 -2,-0.4 2,-0.3 -0.991 14.0 123.1-145.1 149.1 48.0 6.8 9.6 10 18 A G E -A 63 0A 0 53,-1.8 53,-2.8 -2,-0.3 2,-0.3 -0.959 60.3 -67.7 175.8 174.9 47.9 9.9 11.8 11 19 A F E -A 62 0A 0 120,-0.6 51,-0.2 122,-0.4 99,-0.2 -0.713 28.1-166.0 -86.5 136.4 50.0 12.2 13.9 12 20 A L E S+ 0 0 1 49,-3.4 100,-0.5 1,-0.4 2,-0.3 0.544 80.9 3.4 -92.1 -15.7 51.5 10.7 17.0 13 21 A A E -A 61 0A 3 48,-0.6 48,-2.8 118,-0.2 2,-0.5 -0.915 66.3-142.1-166.7 144.3 52.3 14.2 18.3 14 22 A R E > -A 60 0A 18 -2,-0.3 3,-2.2 116,-0.3 46,-0.3 -0.958 8.8-149.0-118.1 116.7 51.7 17.7 17.1 15 23 A Y T 3 S+ 0 0 48 44,-0.8 45,-0.1 -2,-0.5 8,-0.1 0.341 97.8 52.0 -66.3 7.0 54.5 20.3 17.7 16 24 A D T 3 S+ 0 0 81 43,-0.4 2,-0.9 2,-0.0 -1,-0.3 0.416 81.1 107.5-117.9 -6.9 52.0 23.1 18.0 17 25 A Q < 0 0 43 -3,-2.2 -3,-0.1 113,-0.1 113,-0.0 -0.681 360.0 360.0 -83.5 104.6 49.9 21.5 20.6 18 26 A S 0 0 161 -2,-0.9 -1,-0.1 -3,-0.0 -2,-0.0 -0.434 360.0 360.0 -57.3 360.0 50.5 23.2 23.9 19 ! 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 20 33 A L 0 0 184 0, 0.0 -7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.1 56.6 16.1 25.6 21 34 A L - 0 0 25 -7,-0.1 2,-0.3 4,-0.0 40,-0.0 -0.844 360.0-146.9 -98.7 105.7 58.0 15.0 22.2 22 35 A P >> - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.624 14.3-132.2 -78.7 133.8 60.5 17.6 20.9 23 36 A R H 3> S+ 0 0 116 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.862 107.2 53.4 -42.8 -48.3 60.9 18.3 17.2 24 37 A D H 3> S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.843 112.1 40.8 -62.8 -38.4 64.7 18.0 17.5 25 38 A V H X> S+ 0 0 77 -3,-0.9 4,-1.7 2,-0.2 3,-0.6 0.945 112.7 49.0 -80.8 -48.1 64.8 14.6 19.2 26 39 A V H 3X>S+ 0 0 2 -4,-2.1 5,-1.3 1,-0.3 4,-1.2 0.877 111.1 58.0 -57.9 -32.1 62.1 12.7 17.3 27 40 A E H 3<>S+ 0 0 66 -4,-1.4 5,-1.9 -5,-0.4 -1,-0.3 0.834 109.3 40.0 -67.6 -38.3 63.9 14.0 14.3 28 41 A H H <<5S+ 0 0 131 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.736 116.6 41.6 -92.6 -19.5 67.3 12.5 15.1 29 42 A W H <5S+ 0 0 128 -4,-1.7 -2,-0.1 2,-0.0 -3,-0.1 0.800 139.9 14.1 -85.0 -33.1 66.7 9.0 16.4 30 43 A L T <5S+ 0 0 44 -4,-1.2 -3,-0.2 -5,-0.5 -2,-0.2 0.871 129.9 39.2-102.5 -66.7 64.1 8.6 13.7 31 44 A H T < 0 0 79 -5,-1.3 -3,-0.2 1,-0.2 -4,-0.2 0.739 360.0 360.0 -67.3 -27.9 64.1 11.2 10.9 32 45 A A < 0 0 82 -5,-1.9 -1,-0.2 0, 0.0 -2,-0.1 -0.598 360.0 360.0-129.0 360.0 67.9 11.6 10.5 33 ! 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 34 55 A V 0 0 207 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.5 62.7 -4.4 13.9 35 56 A A - 0 0 47 1,-0.1 17,-0.1 15,-0.0 18,-0.0 -0.636 360.0 -95.6 -93.0 144.4 59.6 -2.2 13.7 36 57 A L - 0 0 29 -2,-0.3 15,-2.9 14,-0.1 84,-0.2 -0.200 43.8-119.4 -51.9 130.0 57.4 -1.0 16.6 37 58 A P E -C 50 0A 51 0, 0.0 84,-1.7 0, 0.0 2,-0.6 -0.373 16.9-135.2 -72.4 155.8 54.4 -3.3 17.0 38 59 A L E +Cd 49 121A 1 11,-3.0 10,-3.1 82,-0.2 11,-1.3 -0.972 36.7 169.7-111.6 119.6 50.9 -1.7 16.6 39 60 A N E -Cd 47 122A 3 82,-2.1 84,-2.8 -2,-0.6 2,-0.6 -0.794 37.8 -92.2-128.4 174.5 48.6 -2.9 19.4 40 61 A I E > S- d 0 123A 0 6,-2.3 3,-2.2 3,-0.5 84,-0.2 -0.798 94.2 -29.8 -94.4 115.8 45.2 -2.2 21.0 41 62 A N T 3 S- 0 0 47 82,-3.3 -1,-0.2 -2,-0.6 83,-0.1 0.752 115.3 -59.6 49.6 39.9 45.2 0.3 23.8 42 63 A H T 3 S+ 0 0 56 1,-0.2 2,-1.0 -3,-0.2 -1,-0.3 0.499 93.8 145.0 72.9 6.8 48.7 -0.5 25.0 43 64 A D X - 0 0 48 -3,-2.2 3,-2.5 3,-0.2 -3,-0.5 -0.656 40.4-156.3 -81.8 108.5 47.9 -4.1 25.7 44 65 A D T 3 S+ 0 0 131 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.575 93.7 56.9 -58.1 -13.3 51.1 -6.0 24.8 45 66 A T T 3 S+ 0 0 53 1,-0.2 125,-1.2 -5,-0.1 -1,-0.3 0.177 98.7 67.1-101.1 12.7 49.1 -9.2 24.2 46 67 A A B < +H 169 0B 2 -3,-2.5 -6,-2.3 123,-0.2 2,-0.5 -0.330 60.6 152.5-129.0 48.5 47.1 -7.3 21.6 47 68 A V E +C 39 0A 24 121,-0.8 -8,-0.3 -3,-0.3 124,-0.1 -0.727 14.2 176.1 -83.2 121.5 49.5 -6.5 18.8 48 69 A V E - 0 0 0 -10,-3.1 21,-1.7 -2,-0.5 20,-1.7 0.309 61.9 -48.4-107.7 2.0 47.5 -6.2 15.6 49 70 A G E -CE 38 67A 6 -11,-1.3 -11,-3.0 18,-0.3 2,-0.3 -0.972 66.6 -84.4 163.0-147.1 50.4 -5.3 13.3 50 71 A H E -CE 37 66A 74 16,-1.4 16,-2.4 -13,-0.3 2,-0.3 -0.988 34.6 -94.4-155.0 160.6 53.3 -2.9 13.2 51 72 A V E - E 0 65A 7 -15,-2.9 14,-0.3 -2,-0.3 3,-0.1 -0.583 31.1-172.4 -77.9 133.4 54.3 0.7 12.3 52 73 A A E + 0 0 29 12,-2.8 2,-0.3 1,-0.3 13,-0.2 0.690 64.8 5.4 -99.9 -23.1 55.6 0.7 8.7 53 74 A A E - E 0 64A 3 11,-2.1 11,-2.7 2,-0.0 2,-0.4 -0.985 49.6-168.2-164.1 145.8 56.8 4.3 8.7 54 75 A X E - E 0 63A 10 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 12.5-176.0-139.0 125.1 57.3 7.4 10.8 55 76 A Q E - E 0 62A 14 7,-2.7 7,-2.3 -2,-0.4 2,-0.5 -0.996 20.5-142.2-129.3 125.8 58.1 10.8 9.3 56 77 A S E + E 0 61A 5 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.805 39.6 168.1 -83.9 124.2 58.8 14.0 11.2 57 78 A V E > - E 0 60A 9 3,-2.6 3,-0.7 -2,-0.5 93,-0.1 -0.778 48.9 -70.5-132.0-176.6 57.2 16.8 9.3 58 79 A R T 3 S+ 0 0 195 1,-0.2 92,-0.1 -2,-0.2 3,-0.1 0.827 125.7 26.7 -42.1 -52.6 56.2 20.4 9.4 59 80 A D T 3 S- 0 0 35 1,-0.1 -44,-0.8 90,-0.1 -43,-0.4 0.510 124.0 -48.2 -96.1 -12.8 53.3 20.0 12.0 60 81 A G E < S-AE 14 57A 0 -3,-0.7 -3,-2.6 -46,-0.3 2,-0.8 -0.985 75.6 -43.5 172.8-162.0 54.2 16.9 14.0 61 82 A L E -AE 13 56A 0 -48,-2.8 -49,-3.4 -2,-0.3 -48,-0.6 -0.853 55.1-161.4-102.6 99.0 55.3 13.3 14.1 62 83 A F E -AE 11 55A 0 -7,-2.3 -7,-2.7 -2,-0.8 2,-0.3 -0.618 8.1-171.4 -86.0 142.7 53.3 11.4 11.4 63 84 A C E -AE 10 54A 3 -53,-2.8 -53,-1.8 -2,-0.3 2,-0.4 -0.941 14.9-164.8-133.8 153.1 53.0 7.7 11.4 64 85 A L E +AE 9 53A 1 -11,-2.7 -12,-2.8 -2,-0.3 -11,-2.1 -0.990 19.6 170.1-139.1 120.6 51.7 5.0 9.1 65 86 A G E -AE 8 51A 0 -57,-3.7 -57,-2.6 -2,-0.4 2,-0.4 -0.809 24.2-131.9-127.4 172.2 51.0 1.5 10.4 66 87 A C E -AE 7 50A 9 -16,-2.4 -16,-1.4 -2,-0.3 2,-0.9 -0.978 5.8-146.1-134.8 123.9 49.4 -1.7 9.1 67 88 A V E +AE 6 49A 0 -61,-3.1 -61,-1.8 -2,-0.4 -18,-0.3 -0.782 36.2 155.1 -84.5 110.5 46.8 -3.9 10.9 68 89 A T + 0 0 56 -20,-1.7 -19,-0.2 -2,-0.9 -1,-0.2 0.704 21.2 119.2-110.8 -29.7 47.8 -7.3 9.6 69 90 A S > - 0 0 1 -21,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.197 46.9-158.0 -48.4 114.6 46.6 -9.9 12.2 70 91 A P H > S+ 0 0 65 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.799 94.3 53.2 -64.5 -28.2 44.0 -12.2 10.5 71 92 A R H > S+ 0 0 102 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.916 110.4 43.6 -72.1 -47.0 42.7 -13.0 14.0 72 93 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 115.1 49.8 -62.9 -50.1 42.1 -9.4 15.0 73 94 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.831 109.8 52.4 -57.2 -36.2 40.6 -8.6 11.6 74 95 A E H X S+ 0 0 72 -4,-1.5 4,-2.5 -5,-0.2 5,-0.2 0.940 109.4 47.6 -66.8 -47.5 38.3 -11.6 11.9 75 96 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.905 114.4 48.8 -57.0 -45.4 37.1 -10.5 15.4 76 97 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.862 108.8 51.4 -63.9 -39.7 36.5 -7.0 13.9 77 98 A R H X S+ 0 0 55 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.929 113.0 45.8 -65.0 -44.3 34.7 -8.3 10.8 78 99 A R H < S+ 0 0 78 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.887 115.6 46.3 -67.6 -32.1 32.3 -10.3 13.0 79 100 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.859 104.8 62.9 -75.0 -37.6 31.9 -7.4 15.4 80 101 A S H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.767 96.8 56.3 -61.4 -28.2 31.3 -5.0 12.5 81 102 A E T 3< S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.520 103.4 54.4 -84.3 -2.2 28.1 -6.7 11.3 82 103 A K T < S+ 0 0 71 -3,-1.4 2,-0.4 -4,-0.2 -1,-0.2 0.210 89.9 100.3-109.1 10.2 26.4 -6.4 14.7 83 104 A S <> - 0 0 2 -3,-0.9 4,-1.5 1,-0.1 312,-0.1 -0.847 55.8-162.3-102.6 131.6 27.0 -2.6 14.7 84 105 A E H > S+ 0 0 118 -2,-0.4 4,-0.9 310,-0.3 -1,-0.1 0.809 94.1 57.0 -78.2 -30.9 24.2 -0.2 13.8 85 106 A L H >4 S+ 0 0 20 309,-0.3 3,-0.6 2,-0.2 4,-0.5 0.919 108.2 47.0 -63.7 -47.3 26.7 2.6 13.2 86 107 A V H >4 S+ 0 0 2 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.916 108.3 55.6 -62.0 -42.4 28.6 0.5 10.6 87 108 A S H 3< S+ 0 0 77 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.714 97.0 64.9 -62.3 -23.0 25.2 -0.4 9.0 88 109 A R T << S- 0 0 147 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.673 102.6-149.7 -72.3 -18.4 24.6 3.3 8.6 89 110 A G < - 0 0 22 -3,-1.7 -1,-0.1 -4,-0.5 3,-0.1 0.133 14.3 -67.0 73.6 170.2 27.6 3.4 6.2 90 111 A P S S- 0 0 29 0, 0.0 2,-0.3 0, 0.0 118,-0.1 -0.089 73.4 -57.9 -83.2-175.9 30.2 6.0 5.4 91 112 A V S > S- 0 0 82 116,-0.5 3,-1.8 4,-0.1 -2,-0.0 -0.548 71.8 -89.6 -75.6 131.0 29.6 9.3 3.6 92 113 A S T 3 S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.447 116.7 43.4 1.6 -79.7 28.1 8.8 0.1 93 114 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.839 98.7 87.0 -51.8 -39.5 30.9 8.4 -2.5 94 115 A L S < S- 0 0 27 -3,-1.8 3,-0.0 1,-0.1 113,-0.0 -0.299 83.5-120.2 -63.2 144.7 32.8 6.1 -0.2 95 116 A Q - 0 0 153 1,-0.1 -1,-0.1 -6,-0.1 2,-0.1 -0.597 33.6 -94.5 -89.0 147.9 32.0 2.4 -0.4 96 117 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.437 45.1 174.8 -60.9 127.7 30.8 0.6 2.7 97 118 A D > - 0 0 30 -11,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.801 10.2-170.7-135.1 87.4 33.8 -1.0 4.3 98 119 A K H > S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.867 83.7 47.2 -49.7 -43.7 32.5 -2.6 7.5 99 120 A V H > S+ 0 0 3 -98,-0.2 4,-2.7 2,-0.2 5,-0.3 0.962 114.3 45.8 -66.1 -50.1 36.0 -3.4 8.9 100 121 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.898 115.2 48.2 -60.3 -40.3 37.5 -0.0 8.2 101 122 A E H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.906 110.2 50.6 -68.0 -41.5 34.4 1.7 9.6 102 123 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.948 111.9 47.9 -60.3 -48.1 34.4 -0.4 12.8 103 124 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.890 110.2 53.5 -58.9 -38.3 38.1 0.3 13.4 104 125 A S H < S+ 0 0 4 -4,-2.0 106,-0.4 -5,-0.3 -1,-0.2 0.870 111.6 45.8 -63.5 -40.4 37.3 4.0 12.8 105 126 A G H >< S+ 0 0 2 -4,-2.1 3,-0.5 1,-0.1 -2,-0.2 0.969 121.9 31.1 -68.6 -56.4 34.6 3.9 15.4 106 127 A S H 3< S+ 0 0 4 -4,-2.5 2,-0.2 1,-0.2 -2,-0.2 0.784 127.1 35.4 -75.6 -34.9 36.4 2.1 18.2 107 128 A Y T 3< + 0 0 8 -4,-2.2 18,-0.3 -5,-0.3 -1,-0.2 -0.434 65.8 147.7-122.9 61.8 40.0 3.1 17.8 108 129 A A < + 0 0 3 -3,-0.5 26,-3.3 17,-0.4 2,-0.3 0.609 58.5 62.1 -71.8 -7.9 39.7 6.6 16.6 109 130 A G E -FG 124 133A 0 15,-2.6 15,-2.6 24,-0.3 2,-0.3 -0.789 64.8-145.2-124.5 160.4 43.0 7.6 18.3 110 131 A L E -F 123 0A 3 22,-1.9 2,-0.3 -2,-0.3 19,-0.3 -0.884 13.4-167.6-116.3 149.0 46.7 6.8 18.2 111 132 A S E -F 122 0A 20 11,-1.7 11,-2.4 -2,-0.3 2,-0.5 -0.886 11.4-152.5-148.1 111.4 49.1 6.8 21.2 112 133 A L E -F 121 0A 19 -100,-0.5 2,-0.6 -2,-0.3 9,-0.2 -0.701 26.0-129.3 -79.8 120.8 52.9 6.6 21.1 113 134 A S 0 0 9 7,-2.4 6,-1.1 -2,-0.5 7,-0.3 -0.673 360.0 360.0 -80.2 117.5 54.1 5.0 24.3 114 135 A S 0 0 121 -2,-0.6 4,-0.1 4,-0.2 -93,-0.0 -0.955 360.0 360.0-160.1 360.0 56.8 7.1 26.0 115 ! 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 0.0 116 153 A T 0 0 154 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.0 63.9 1.8 22.0 117 154 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 -88,-0.0 0.627 360.0 36.2 -73.4 -11.3 62.6 5.3 23.0 118 155 A F - 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0 0 4 -3,-1.4 3,-1.2 -4,-0.4 54,-0.1 -0.843 61.3-166.8-103.8 105.7 46.0 14.9 5.7 148 185 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 53,-0.1 0.851 86.4 67.8 -52.3 -43.8 46.3 18.4 4.0 149 186 A D T 3 S+ 0 0 28 51,-0.3 -91,-0.1 2,-0.0 -90,-0.1 0.825 80.0 92.6 -46.0 -43.6 49.4 19.1 6.2 150 187 A L < - 0 0 9 -3,-1.2 2,-0.2 -6,-0.2 -93,-0.0 -0.318 67.1-147.7 -62.6 137.0 51.5 16.4 4.5 151 188 A T > - 0 0 54 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.657 28.4-107.9-102.4 160.7 53.6 17.6 1.6 152 189 A A H > S+ 0 0 54 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.908 124.5 52.9 -51.6 -40.9 54.6 15.7 -1.5 153 190 A A H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 107.9 49.0 -60.6 -46.2 58.1 15.6 0.0 154 191 A D H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 109.4 53.7 -59.2 -46.4 56.8 14.2 3.3 155 192 A R H X S+ 0 0 55 -4,-2.9 4,-2.9 1,-0.3 -2,-0.2 0.871 107.6 48.3 -59.0 -41.4 54.8 11.5 1.3 156 193 A D H X S+ 0 0 101 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.3 0.883 109.9 56.3 -67.1 -32.2 57.9 10.3 -0.5 157 194 A G H X S+ 0 0 21 -4,-1.7 4,-0.7 -5,-0.2 -2,-0.2 0.935 113.5 37.0 -62.4 -47.9 59.6 10.3 2.9 158 195 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.922 114.8 56.6 -68.5 -45.6 57.0 7.9 4.4 159 196 A R H >X S+ 0 0 49 -4,-2.9 4,-1.7 1,-0.3 3,-1.2 0.797 98.6 58.8 -55.9 -40.7 56.6 5.9 1.2 160 197 A A H 3< S+ 0 0 21 -4,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.862 98.8 64.6 -59.9 -31.7 60.3 5.1 1.0 161 198 A Q T << S+ 0 0 71 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.649 110.6 30.9 -69.2 -21.5 59.8 3.5 4.4 162 199 A W T <4 S+ 0 0 62 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.833 130.8 32.8 -96.6 -59.4 57.4 0.7 3.2 163 200 A Q < 0 0 155 -4,-1.7 -3,-0.2 1,-0.0 -2,-0.1 0.993 360.0 360.0 -56.8 -79.0 58.6 0.1 -0.3 164 201 A R 0 0 236 -5,-0.3 -1,-0.0 -4,-0.2 0, 0.0 -0.280 360.0 360.0 -54.4 360.0 62.4 0.8 -0.1 165 ! 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 0.0 166 211 A G 0 0 125 0, 0.0 -97,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 53.0 -15.7 13.3 167 212 A D - 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0 0 4 -3,-1.3 4,-1.4 1,-0.1 -122,-0.1 -0.957 51.1-163.9-116.3 129.0 38.3 -3.2 32.0 302 105 B E H > S+ 0 0 120 -2,-0.5 4,-1.5 -124,-0.2 -1,-0.1 0.834 93.9 60.1 -74.7 -33.2 40.3 -0.5 33.7 303 106 B L H > S+ 0 0 19 -125,-0.2 4,-0.8 1,-0.2 3,-0.5 0.938 107.5 45.1 -59.3 -46.9 37.0 1.2 34.7 304 107 B V H >4 S+ 0 0 7 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.889 109.2 55.2 -65.7 -39.0 36.1 -1.9 36.6 305 108 B S H 3< S+ 0 0 73 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.751 97.0 66.2 -67.3 -20.9 39.5 -2.2 38.2 306 109 B R H 3< S- 0 0 171 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.842 103.2-143.9 -67.1 -31.4 39.1 1.3 39.5 307 110 B G << - 0 0 22 -3,-1.0 -1,-0.1 -4,-0.8 3,-0.1 -0.044 13.7 -68.6 90.8 164.2 36.3 0.0 41.7 308 111 B P S S- 0 0 28 0, 0.0 2,-0.5 0, 0.0 116,-0.1 0.156 74.5 -54.8 -72.9-162.6 32.9 1.4 43.0 309 112 B V S > S- 0 0 80 114,-0.5 3,-2.6 4,-0.1 -2,-0.0 -0.727 74.0 -89.0 -84.8 123.1 32.4 4.3 45.4 310 113 B S T 3 S+ 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.353 118.5 44.3 8.4 -73.9 34.3 3.7 48.7 311 114 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.726 94.4 93.1 -68.0 -16.5 31.9 1.8 50.9 312 115 B L S < S- 0 0 20 -3,-2.6 3,-0.1 111,-0.1 111,-0.0 -0.476 80.0-115.8 -79.9 145.6 30.7 -0.7 48.3 313 116 B Q - 0 0 137 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 -0.605 38.8-104.3 -76.4 128.5 32.4 -4.1 47.8 314 117 B P + 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.218 42.6 175.8 -52.9 141.4 34.0 -4.5 44.3 315 118 B D > - 0 0 21 -11,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.683 14.4-164.5-153.2 90.6 31.9 -6.6 42.1 316 119 B K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.839 86.7 45.3 -48.1 -46.1 33.3 -6.8 38.6 317 120 B V H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.954 115.8 44.7 -67.6 -49.3 30.2 -8.2 36.8 318 121 B V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.932 117.7 47.4 -61.4 -42.1 27.7 -5.8 38.5 319 122 B E H X S+ 0 0 1 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.876 110.7 49.7 -68.6 -37.8 30.1 -3.0 37.8 320 123 B F H >X S+ 0 0 3 -4,-2.5 4,-2.6 -5,-0.3 3,-0.6 0.968 113.9 46.9 -64.7 -46.6 30.7 -4.0 34.2 321 124 B L H 3X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.852 106.7 58.0 -60.7 -37.4 27.0 -4.2 33.7 322 125 B S H 3< S+ 0 0 3 -4,-2.4 104,-0.5 -5,-0.2 -1,-0.2 0.827 114.2 38.2 -63.4 -34.7 26.5 -0.8 35.4 323 126 B G H << S+ 0 0 0 -4,-1.4 3,-0.5 -3,-0.6 -2,-0.2 0.847 121.7 41.5 -83.2 -38.7 28.7 0.8 32.9 324 127 B S H < S+ 0 0 5 -4,-2.6 2,-0.2 1,-0.2 -3,-0.2 0.918 126.9 27.2 -74.9 -48.4 27.7 -1.1 29.8 325 128 B Y < + 0 0 9 -4,-2.5 16,-0.2 -5,-0.2 -1,-0.2 -0.488 67.5 147.7-118.7 64.6 24.0 -1.2 30.2 326 129 B A + 0 0 2 -3,-0.5 24,-2.6 15,-0.4 2,-0.3 0.532 59.3 70.1 -74.7 -4.5 23.2 1.9 32.3 327 130 B G E -NO 340 349C 0 13,-3.0 13,-2.2 22,-0.3 2,-0.3 -0.791 63.0-151.1-119.7 159.7 19.8 2.3 30.6 328 131 B L E -N 339 0C 4 20,-2.1 2,-0.3 -2,-0.3 11,-0.2 -0.932 12.5-174.3-123.8 148.0 16.4 0.5 30.5 329 132 B S E -N 338 0C 20 9,-1.9 9,-3.1 -2,-0.3 2,-0.8 -0.845 16.4-166.6-154.4 113.0 13.9 0.4 27.7 330 133 B L E +N 337 0C 22 -107,-0.3 2,-0.3 -2,-0.3 7,-0.2 -0.850 57.0 82.0 -92.8 106.8 10.4 -1.1 27.4 331 134 B S 0 0 49 5,-0.9 5,-0.2 -2,-0.8 -2,-0.1 -0.995 360.0 360.0 178.3-177.0 9.8 -1.1 23.7 332 135 B S 0 0 115 -2,-0.3 0, 0.0 3,-0.1 0, 0.0 -0.173 360.0 360.0 -66.0 360.0 9.9 -2.4 20.2 333 ! 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 0.0 334 155 B F 0 0 102 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0-161.2 4.6 -5.9 26.5 335 156 B K - 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0 0 3 -24,-2.6 2,-0.5 -2,-0.2 -129,-0.2 -0.860 16.0-164.7 -98.0 125.0 19.3 0.8 35.3 351 172 B V E -J 220 0C 1 -131,-2.1 -131,-2.1 -2,-0.5 2,-0.3 -0.953 8.7-163.6-112.6 116.7 20.5 -0.0 38.8 352 173 B Y E +J 219 0C 2 -2,-0.5 72,-0.4 -133,-0.2 2,-0.3 -0.724 19.8 144.8-102.9 155.4 22.2 -3.4 39.3 353 174 B G E -J 218 0C 1 -135,-1.8 -135,-3.0 -2,-0.3 6,-0.0 -0.941 52.6-111.7-175.3 162.2 22.9 -5.4 42.5 354 175 B R S S+ 0 0 63 -2,-0.3 -135,-0.1 -137,-0.2 -1,-0.1 0.740 101.7 53.5 -77.6 -27.7 23.1 -8.9 43.9 355 176 B D S > S- 0 0 88 1,-0.1 4,-1.9 -137,-0.1 3,-0.2 -0.945 70.9-147.8-112.2 130.0 20.1 -8.5 46.2 356 177 B P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.814 99.8 57.8 -63.6 -27.5 16.7 -7.3 44.9 357 178 B E H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.912 104.7 49.5 -70.2 -40.4 16.0 -5.7 48.2 358 179 B W H 4 S+ 0 0 60 -3,-0.2 3,-0.3 2,-0.2 4,-0.3 0.945 110.4 51.5 -64.0 -44.5 19.1 -3.5 48.0 359 180 B V H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 4,-0.5 0.933 108.2 49.2 -63.1 -41.7 18.3 -2.4 44.5 360 181 B X H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.822 105.6 60.3 -65.3 -27.1 14.7 -1.3 45.3 361 182 B Q T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.470 89.0 72.6 -76.9 -4.4 16.2 0.6 48.2 362 183 B R T < S+ 0 0 14 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.758 85.9 73.5 -77.2 -28.2 18.3 2.6 45.7 363 184 B F X - 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0 0 6 -2,-0.5 -114,-0.5 2,-0.2 -111,-0.1 -0.916 61.1-107.1-154.6 179.7 25.2 2.4 44.1 424 253 B Y + 0 0 15 -72,-0.4 -102,-0.1 -2,-0.3 -109,-0.0 0.302 65.3 140.4 -96.5 5.0 27.5 0.9 41.4 425 254 B V - 0 0 16 1,-0.2 -2,-0.2 -7,-0.1 -102,-0.1 -0.309 41.4-157.7 -52.4 124.3 26.2 3.4 38.8 426 255 B K 0 0 36 -104,-0.5 -1,-0.2 1,-0.2 -103,-0.1 0.694 360.0 360.0 -79.0 -26.2 29.2 4.4 36.7 427 256 B A 0 0 33 -105,-0.2 -1,-0.2 -18,-0.0 -2,-0.1 0.562 360.0 360.0 -77.7 360.0 27.7 7.7 35.6