==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-04 1S4B . COMPND 2 MOLECULE: THIMET OLIGOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.RAY,C.S.HINES,J.COLL-RODRIGUEZ,D.W.RODGERS . 654 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 25 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.1 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 1 3 1 0 2 2 2 1 1 0 1 2 0 1 2 0 1 1 1 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 P L 0 0 60 0, 0.0 2,-0.4 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 141.8 16.8 38.1 47.0 2 25 P R + 0 0 91 1,-0.1 3,-0.1 3,-0.0 364,-0.0 -0.989 360.0 172.0-128.3 135.0 17.9 34.8 48.7 3 26 P W + 0 0 34 -2,-0.4 -1,-0.1 1,-0.1 363,-0.1 0.335 68.1 72.2-124.8 5.6 21.4 34.0 49.8 4 27 P D + 0 0 125 361,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.084 63.9 133.5-108.6 22.5 21.0 30.7 51.7 5 28 P L - 0 0 13 -3,-0.1 2,-0.0 1,-0.1 -3,-0.0 -0.561 48.4-137.7 -76.6 134.3 20.5 28.6 48.6 6 29 P S > - 0 0 48 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.243 29.6 -99.1 -80.9 175.1 22.5 25.3 48.6 7 30 P A H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.858 125.1 51.0 -64.5 -33.4 24.3 24.0 45.5 8 31 P Q H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 107.5 50.5 -72.8 -37.9 21.3 21.6 44.9 9 32 P Q H > S+ 0 0 66 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.859 107.8 54.3 -68.1 -34.6 18.7 24.3 45.2 10 33 P I H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.921 109.7 47.8 -63.5 -42.7 20.6 26.4 42.6 11 34 P E H X S+ 0 0 104 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.938 117.2 41.8 -62.3 -48.1 20.5 23.5 40.3 12 35 P E H X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 112.6 53.4 -65.3 -47.3 16.8 22.9 40.8 13 36 P R H X S+ 0 0 64 -4,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.850 106.0 55.4 -56.7 -37.7 15.9 26.6 40.7 14 37 P T H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.937 108.1 45.8 -64.1 -48.0 17.7 26.9 37.4 15 38 P R H X S+ 0 0 115 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.910 115.3 48.3 -61.5 -42.9 15.6 24.2 35.7 16 39 P E H X S+ 0 0 84 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.930 110.3 50.2 -62.8 -48.8 12.4 25.6 37.1 17 40 P L H X S+ 0 0 14 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.928 111.9 48.3 -56.5 -47.6 13.2 29.2 36.1 18 41 P I H X S+ 0 0 34 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.928 113.6 46.4 -60.9 -45.5 13.9 28.1 32.5 19 42 P E H X S+ 0 0 129 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.920 115.2 45.9 -64.0 -44.7 10.8 26.0 32.3 20 43 P Q H X S+ 0 0 120 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.908 117.3 43.9 -65.3 -41.5 8.6 28.8 33.7 21 44 P T H >X S+ 0 0 6 -4,-2.8 4,-1.7 -5,-0.3 3,-0.6 0.929 110.6 53.2 -70.0 -44.8 10.1 31.5 31.6 22 45 P K H 3X S+ 0 0 68 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.864 101.8 63.6 -57.1 -35.3 10.1 29.4 28.4 23 46 P R H 3X S+ 0 0 164 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.891 101.7 48.1 -56.4 -44.4 6.4 28.9 29.1 24 47 P V H < S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.910 112.7 55.7 -68.4 -39.6 3.6 34.6 23.1 29 52 P G H 3< S+ 0 0 2 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.638 109.4 45.2 -68.3 -16.0 5.1 32.6 20.3 30 53 P T T 3< S+ 0 0 102 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.240 80.5 126.9-113.1 13.9 1.9 30.7 19.5 31 54 P Q < - 0 0 25 -3,-1.2 2,-0.2 -4,-0.2 5,-0.1 -0.428 60.6-122.1 -69.6 144.9 -0.6 33.6 19.6 32 55 P E >> - 0 0 138 1,-0.1 3,-1.3 -2,-0.1 4,-0.6 -0.567 29.1-107.5 -83.1 152.7 -2.8 34.0 16.5 33 56 P F G >4 S+ 0 0 80 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.895 118.7 56.1 -44.6 -50.9 -2.6 37.4 14.8 34 57 P E G 34 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.792 105.4 51.1 -55.0 -33.4 -6.0 38.4 16.1 35 58 P D G <4 S+ 0 0 92 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.465 81.1 116.1 -87.1 -2.0 -5.1 37.7 19.8 36 59 P V << + 0 0 6 -3,-1.8 2,-0.3 -4,-0.6 3,-0.1 -0.529 39.5 152.3 -70.9 127.4 -1.9 39.9 19.6 37 60 P S >> - 0 0 39 -2,-0.3 4,-1.7 1,-0.1 5,-0.7 -0.952 58.9-103.0-150.0 166.7 -2.2 42.9 21.9 38 61 P Y T 4>S+ 0 0 74 -2,-0.3 5,-3.0 3,-0.2 6,-0.4 0.935 122.5 42.3 -58.2 -47.7 -0.1 45.2 23.9 39 62 P E T 4>S+ 0 0 123 1,-0.2 5,-0.5 3,-0.2 -1,-0.2 0.894 118.4 43.1 -68.3 -41.3 -1.0 43.4 27.2 40 63 P S T 45S+ 0 0 40 3,-0.1 -1,-0.2 -5,-0.1 -2,-0.2 0.646 131.8 19.6 -81.2 -13.8 -0.7 39.8 25.8 41 64 P T T X5S+ 0 0 0 -4,-1.7 4,-1.9 3,-0.1 -3,-0.2 0.742 130.2 29.2-118.7 -65.6 2.5 40.5 23.9 42 65 P L H >X S+ 0 0 2 -4,-1.5 3,-2.6 -5,-0.2 4,-0.7 0.910 83.4 68.0 -77.1 -42.4 25.9 35.9 41.6 62 85 P P H 3> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.752 87.5 69.2 -49.2 -28.7 27.1 33.2 44.1 63 86 P Q H 34 S+ 0 0 32 -3,-0.2 -2,-0.1 1,-0.2 9,-0.1 0.786 102.6 45.5 -63.1 -25.1 29.9 32.2 41.7 64 87 P H H <4 S+ 0 0 45 -3,-2.6 335,-3.3 -4,-0.2 -1,-0.2 0.685 132.4 9.8 -91.9 -18.5 31.5 35.6 42.4 65 88 P V H < S+ 0 0 1 -4,-0.7 -2,-0.2 -3,-0.4 333,-0.1 0.629 82.9 119.1-136.0 -20.4 31.2 35.7 46.2 66 89 P S < - 0 0 9 -4,-2.4 6,-0.1 -5,-0.2 302,-0.1 -0.260 51.9-146.8 -56.5 132.1 30.1 32.5 47.9 67 90 P P S S+ 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.650 79.6 87.6 -74.6 -9.5 32.7 31.2 50.3 68 91 P S > - 0 0 39 1,-0.1 4,-2.3 -6,-0.1 5,-0.1 -0.783 65.5-157.3 -94.2 123.1 31.5 27.7 49.4 69 92 P K H > S+ 0 0 148 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.849 94.2 54.7 -66.5 -34.4 33.2 26.1 46.3 70 93 P D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 111.7 44.7 -65.6 -39.6 30.2 23.7 45.7 71 94 P I H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 112.2 52.5 -70.7 -39.9 27.9 26.7 45.6 72 95 P R H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 110.2 48.1 -61.8 -43.2 30.3 28.7 43.4 73 96 P T H X S+ 0 0 69 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 111.7 48.0 -65.9 -43.3 30.5 25.8 40.9 74 97 P A H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.860 111.3 52.6 -65.4 -35.1 26.7 25.2 40.7 75 98 P S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 108.7 49.5 -66.0 -43.4 26.3 29.0 40.2 76 99 P T H X S+ 0 0 46 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.904 112.7 47.4 -62.1 -41.8 28.8 29.0 37.4 77 100 P E H X S+ 0 0 93 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 111.1 50.5 -67.7 -39.1 27.0 26.1 35.7 78 101 P A H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.918 106.6 56.1 -63.6 -42.0 23.6 27.7 36.2 79 102 P D H X S+ 0 0 41 -4,-2.5 4,-2.4 -20,-0.2 -1,-0.2 0.897 108.1 48.5 -55.8 -43.5 25.0 30.9 34.6 80 103 P K H X S+ 0 0 117 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.930 112.9 46.0 -65.1 -45.7 26.0 28.9 31.5 81 104 P K H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 115.3 47.1 -62.8 -44.2 22.6 27.2 31.2 82 105 P L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.872 110.8 51.6 -66.2 -37.9 20.8 30.5 31.7 83 106 P S H X S+ 0 0 47 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.887 110.4 48.5 -66.5 -39.7 23.1 32.3 29.2 84 107 P E H X S+ 0 0 136 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 111.4 51.4 -64.5 -42.3 22.4 29.6 26.6 85 108 P F H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.906 106.0 54.4 -60.3 -44.2 18.7 30.0 27.4 86 109 P D H X S+ 0 0 58 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.919 111.2 44.6 -56.4 -46.5 18.9 33.8 26.9 87 110 P V H X S+ 0 0 85 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.924 110.8 55.0 -63.9 -45.0 20.4 33.3 23.4 88 111 P E H < S+ 0 0 101 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.918 110.6 44.7 -55.2 -46.8 17.8 30.6 22.6 89 112 P M H >< S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.873 107.8 57.8 -67.9 -36.1 14.9 32.9 23.4 90 113 P S H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 105.5 51.5 -66.2 -23.3 16.4 35.9 21.5 91 114 P M T 3< S+ 0 0 60 -4,-1.4 2,-0.7 -3,-0.5 -1,-0.3 0.336 76.8 130.3 -94.5 5.7 16.5 33.8 18.3 92 115 P R <> - 0 0 34 -3,-1.5 4,-1.9 1,-0.2 5,-0.1 -0.474 35.8-173.5 -65.7 107.3 12.8 32.7 18.6 93 116 P E H > S+ 0 0 77 -2,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.836 82.5 56.1 -71.0 -33.1 11.3 33.5 15.2 94 117 P D H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 110.2 44.4 -65.9 -42.5 7.8 32.6 16.3 95 118 P V H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.910 110.5 55.1 -67.4 -41.3 8.0 35.2 19.1 96 119 P Y H X S+ 0 0 21 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.884 101.7 58.9 -60.3 -37.6 9.5 37.8 16.8 97 120 P Q H X S+ 0 0 73 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.914 105.9 48.0 -58.0 -42.8 6.6 37.4 14.4 98 121 P R H X S+ 0 0 42 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.833 110.4 51.5 -68.1 -31.1 4.2 38.4 17.2 99 122 P I H X S+ 0 0 11 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.909 110.7 48.2 -71.1 -40.5 6.3 41.4 18.1 100 123 P V H X S+ 0 0 48 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.903 111.8 50.6 -64.0 -41.2 6.3 42.5 14.4 101 124 P W H X S+ 0 0 56 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.890 108.1 52.0 -64.0 -40.1 2.5 42.0 14.3 102 125 P L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.920 106.1 54.0 -62.3 -43.0 2.1 44.1 17.4 103 126 P Q H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.8 47.7 -60.0 -32.2 4.2 46.8 15.8 104 127 P E H < S+ 0 0 135 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.943 114.8 44.2 -72.1 -48.0 1.8 46.7 12.9 105 128 P K H < S+ 0 0 79 -4,-2.7 2,-0.5 -5,-0.1 -2,-0.2 0.749 90.8 97.0 -69.5 -28.1 -1.4 46.7 15.1 106 129 P V S < S- 0 0 34 -4,-2.6 3,-0.1 -5,-0.2 5,-0.0 -0.527 79.3-123.9 -70.5 118.5 -0.2 49.5 17.4 107 130 P Q > - 0 0 151 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.275 40.9 -84.6 -60.6 144.9 -1.6 52.9 16.4 108 131 P K T 3 S- 0 0 178 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.286 109.2 -3.2 -56.2 127.0 1.1 55.5 15.7 109 132 P D T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.718 94.4 124.4 62.9 24.4 2.1 57.4 18.9 110 133 P S < + 0 0 63 -3,-1.8 2,-0.2 2,-0.1 -2,-0.1 0.725 54.0 78.6 -84.3 -23.0 -0.4 55.5 21.0 111 134 P L S S- 0 0 40 -4,-0.3 5,-0.0 1,-0.1 -5,-0.0 -0.508 88.7-101.9 -91.4 156.3 2.2 54.1 23.5 112 135 P R > - 0 0 142 -2,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.400 45.8-104.3 -66.5 148.4 3.9 55.8 26.4 113 136 P P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.858 119.4 43.6 -44.0 -50.3 7.5 56.9 25.5 114 137 P E H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.866 113.7 51.8 -69.6 -32.9 9.3 54.1 27.4 115 138 P A H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.897 110.8 48.2 -67.7 -39.8 6.8 51.5 26.1 116 139 P A H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.892 112.3 49.3 -65.6 -40.9 7.4 52.7 22.5 117 140 P R H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.896 110.1 51.5 -64.9 -41.4 11.2 52.6 23.1 118 141 P Y H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.921 110.9 47.5 -62.4 -45.7 10.9 49.0 24.5 119 142 P L H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.938 112.7 48.9 -61.8 -47.2 8.9 47.9 21.5 120 143 P E H X S+ 0 0 122 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.885 110.3 51.8 -61.2 -38.4 11.4 49.5 19.1 121 144 P R H X S+ 0 0 60 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.910 108.7 50.1 -65.4 -42.6 14.3 47.9 20.9 122 145 P L H X S+ 0 0 22 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 112.8 47.0 -61.2 -43.2 12.7 44.4 20.7 123 146 P I H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.931 114.7 48.1 -62.0 -45.2 12.2 45.0 16.9 124 147 P K H X S+ 0 0 67 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.919 107.7 52.9 -62.9 -47.7 15.8 46.2 16.6 125 148 P L H X S+ 0 0 65 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.878 109.2 50.8 -57.9 -38.7 17.4 43.3 18.5 126 149 P G H <>S+ 0 0 4 -4,-1.7 5,-2.5 -5,-0.2 3,-0.3 0.899 110.3 48.6 -66.5 -40.0 15.6 40.8 16.3 127 150 P R H ><5S+ 0 0 112 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.856 108.2 53.5 -68.2 -34.4 16.8 42.6 13.2 128 151 P R H 3<5S+ 0 0 33 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 109.2 50.1 -72.4 -18.8 20.4 42.7 14.5 129 152 P N T 3<5S- 0 0 45 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.399 118.1-120.6 -94.0 -0.1 20.0 38.9 15.0 130 153 P G T X 5 + 0 0 0 -3,-1.1 3,-1.5 117,-0.1 -3,-0.2 0.627 65.7 142.2 72.1 17.8 18.8 38.7 11.4 131 154 P L T 3 < + 0 0 13 -5,-2.5 -4,-0.2 1,-0.3 -1,-0.1 0.694 69.1 54.5 -64.2 -19.4 15.3 37.2 12.2 132 155 P H T 3 S+ 0 0 70 -6,-0.3 -1,-0.3 -5,-0.1 -5,-0.1 0.535 93.2 95.7 -90.5 -8.6 13.6 39.3 9.5 133 156 P L S < S- 0 0 39 -3,-1.5 5,-0.1 1,-0.2 114,-0.0 -0.326 85.3 -80.4 -86.0 163.6 15.9 38.1 6.7 134 157 P P > - 0 0 82 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.169 43.4-110.8 -57.2 153.8 15.6 35.3 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0.958 110.4 45.3 -67.3 -52.0 60.2 43.8 35.0 205 228 P L H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 111,-0.2 0.748 121.0 41.6 -64.5 -23.3 59.7 46.5 32.3 206 229 P K H < S+ 0 0 72 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.762 128.2 24.6 -95.6 -26.6 59.1 49.1 34.9 207 230 P K H < S+ 0 0 75 -4,-2.3 2,-0.5 -5,-0.2 -3,-0.2 0.741 90.7 97.1-110.8 -29.9 61.9 48.2 37.4 208 231 P C < - 0 0 0 -4,-2.4 -33,-0.3 -5,-0.4 -34,-0.1 -0.524 48.7-167.3 -69.9 115.9 64.7 46.3 35.6 209 232 P H + 0 0 51 -35,-1.7 -1,-0.2 -2,-0.5 -34,-0.2 0.377 60.5 101.4 -83.5 4.0 67.4 48.8 34.7 210 233 P V >> - 0 0 31 -36,-0.7 4,-1.7 -38,-0.2 3,-0.7 -0.806 59.9-160.6 -91.5 106.1 69.1 46.3 32.4 211 234 P P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.858 86.9 54.8 -54.5 -43.3 68.1 47.4 28.9 212 235 P E H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.831 108.0 51.3 -62.3 -31.8 68.9 44.1 27.1 213 236 P T H <> S+ 0 0 3 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.898 110.8 46.8 -72.3 -41.0 66.6 42.3 29.6 214 237 P R H X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.930 112.7 52.0 -64.9 -42.6 63.7 44.7 29.0 215 238 P R H X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 109.7 47.0 -58.9 -48.0 64.3 44.3 25.2 216 239 P K H X S+ 0 0 76 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 114.9 46.4 -63.1 -41.6 64.2 40.5 25.3 217 240 P V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.882 111.8 50.0 -70.1 -38.9 61.1 40.4 27.4 218 241 P E H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.934 111.0 49.7 -65.9 -44.8 59.2 43.0 25.3 219 242 P E H < S+ 0 0 75 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.1 44.0 -58.3 -46.8 60.0 41.2 22.1 220 243 P A H >< S+ 0 0 21 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.937 113.1 49.5 -65.0 -49.6 58.8 37.9 23.5 221 244 P F H >< S+ 0 0 15 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.871 113.7 46.3 -59.1 -39.7 55.7 39.3 25.2 222 245 P N T 3< S+ 0 0 19 -4,-2.4 348,-3.0 -5,-0.2 -1,-0.3 0.266 111.6 53.3 -88.9 13.3 54.6 41.1 22.0 223 246 P S T X S+ 0 0 32 -3,-1.6 3,-1.9 346,-0.2 4,-0.2 0.331 74.5 135.0-124.4 2.2 55.3 38.0 19.8 224 247 P R T < S- 0 0 20 -3,-0.7 -65,-0.1 -4,-0.5 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-52,-0.3 4,-2.8 1,-0.3 3,-0.4 0.704 80.8 84.6 -55.9 -21.1 37.6 53.6 21.3 588 611 P G H <> S+ 0 0 11 -3,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.793 80.9 59.5 -53.7 -32.0 34.8 53.5 24.0 589 612 P Y H <> S+ 0 0 79 -3,-2.0 4,-1.6 -4,-0.3 -1,-0.2 0.940 112.7 36.9 -63.3 -47.7 37.4 53.8 26.7 590 613 P L H > S+ 0 0 3 -4,-0.5 4,-3.0 -3,-0.4 5,-0.3 0.880 113.8 58.7 -71.4 -39.0 38.6 57.2 25.4 591 614 P W H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.945 109.9 41.1 -56.1 -52.1 35.0 58.2 24.4 592 615 P S H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.908 117.1 48.3 -65.6 -41.7 33.6 57.9 27.9 593 616 P E H X S+ 0 0 62 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.925 111.3 49.4 -65.9 -45.3 36.6 59.5 29.6 594 617 P V H >X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 3,-0.7 0.963 117.3 39.5 -59.3 -53.2 36.8 62.5 27.3 595 618 P Y H 3X S+ 0 0 29 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.742 105.4 66.3 -71.6 -21.1 33.1 63.3 27.6 596 619 P S H 3X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.848 98.9 54.7 -67.4 -29.2 33.0 62.6 31.3 597 620 P M H S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 5,-0.8 0.932 117.4 40.2 -56.8 -48.9 30.2 66.6 32.3 600 623 P F H <>S+ 0 0 7 -4,-2.2 5,-2.2 3,-0.2 4,-0.5 0.950 120.2 40.8 -67.7 -52.8 32.4 67.4 35.3 601 624 P H H <>S+ 0 0 58 -4,-3.0 5,-0.7 3,-0.2 -3,-0.2 0.936 115.8 48.6 -64.2 -48.5 34.0 70.6 34.2 602 625 P T H <5S+ 0 0 31 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.849 129.5 15.0 -63.4 -37.7 30.9 72.2 32.6 603 626 P R T X5S+ 0 0 28 -4,-1.4 4,-2.0 -5,-0.4 5,-0.2 0.872 131.2 33.7-104.6 -59.4 28.5 71.5 35.5 604 627 P F H >< - 0 0 28 -4,-1.4 3,-2.1 -5,-0.2 6,-0.2 0.373 28.9-133.4 119.8 108.7 30.2 73.7 42.9 609 632 P V T 3 S+ 0 0 21 1,-0.3 -4,-0.1 -4,-0.2 -5,-0.1 0.730 114.4 32.8 -57.1 -26.1 31.8 70.3 43.2 610 633 P L T 3 S+ 0 0 44 -6,-0.1 2,-0.5 -258,-0.0 -1,-0.3 0.029 88.4 129.6-119.7 24.4 29.9 69.7 46.5 611 634 P N <> - 0 0 55 -3,-2.1 4,-1.9 -7,-0.2 3,-0.2 -0.709 48.0-155.4 -83.0 122.1 26.8 71.6 45.5 612 635 P S H > S+ 0 0 58 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.757 91.0 63.5 -69.6 -23.8 23.7 69.5 46.0 613 636 P K H > S+ 0 0 160 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.921 107.9 40.3 -66.4 -43.2 21.8 71.5 43.4 614 637 P V H > S+ 0 0 1 -3,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 113.4 56.8 -70.2 -40.3 24.1 70.4 40.7 615 638 P G H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.878 106.0 48.9 -58.0 -39.9 24.1 66.9 42.2 616 639 P M H X S+ 0 0 72 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.833 109.5 51.9 -71.4 -31.2 20.3 66.7 42.0 617 640 P D H X S+ 0 0 70 -4,-1.3 4,-3.6 2,-0.2 5,-0.4 0.893 110.3 49.7 -68.7 -38.8 20.4 67.8 38.3 618 641 P Y H X>S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-1.5 0.950 111.6 48.0 -62.2 -49.6 23.0 65.0 37.7 619 642 P R H <>S+ 0 0 18 -4,-2.5 5,-3.0 -266,-0.2 -2,-0.2 0.932 118.6 41.6 -57.2 -44.8 20.8 62.5 39.4 620 643 P S H <5S+ 0 0 63 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.913 123.3 34.0 -71.7 -45.5 17.8 63.7 37.4 621 644 P C H <5S+ 0 0 27 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.867 132.5 21.8 -80.0 -38.6 19.4 64.1 33.9 622 645 P I T <5S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.4 -3,-0.2 0.880 128.9 30.3 -99.3 -48.2 21.9 61.3 33.9 623 646 P L T > S- 0 0 8 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.813 78.5-174.3 -68.4 -25.8 16.5 57.7 33.0 626 649 P G G X S- 0 0 0 -3,-1.1 3,-0.5 -4,-0.4 -157,-0.2 -0.489 73.2 -29.7 62.3-137.8 18.7 54.5 33.1 627 650 P G G 3 S+ 0 0 2 -159,-3.3 -1,-0.3 1,-0.2 -158,-0.1 0.208 117.4 99.5 -95.2 18.2 18.6 53.3 29.5 628 651 P S G < S+ 0 0 23 -3,-2.4 2,-0.3 -160,-0.4 -1,-0.2 0.521 85.8 44.4 -79.5 -5.2 15.1 54.8 28.8 629 652 P E S < S- 0 0 58 -3,-0.5 2,-0.0 -161,-0.1 -1,-0.0 -0.990 95.5-103.3-137.0 144.5 16.8 57.8 27.1 630 653 P D > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.370 29.4-123.4 -64.2 147.5 19.6 58.0 24.6 631 654 P A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.892 111.7 57.5 -58.5 -40.7 22.9 59.1 26.2 632 655 P S H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 108.2 46.6 -59.4 -37.5 23.2 62.0 23.7 633 656 P A H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.869 111.9 49.8 -73.4 -37.3 19.8 63.3 24.8 634 657 P M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 114.1 45.8 -66.6 -41.4 20.7 63.0 28.5 635 658 P L H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.5 0.903 108.5 55.1 -67.7 -41.7 24.0 64.8 28.0 636 659 P R H X S+ 0 0 109 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.885 112.5 44.2 -59.9 -37.7 22.3 67.5 25.9 637 660 P R H < S+ 0 0 137 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.878 117.4 44.6 -73.6 -38.9 20.0 68.2 28.8 638 661 P F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.896 125.3 31.1 -73.1 -41.0 22.7 68.0 31.4 639 662 P L H < S- 0 0 16 -4,-3.5 -3,-0.2 2,-0.3 -2,-0.2 0.710 99.4-127.5 -89.4 -24.2 25.2 70.2 29.5 640 663 P G S < S+ 0 0 65 -4,-1.6 2,-0.3 -5,-0.5 -3,-0.2 0.578 87.6 36.3 84.7 10.5 22.8 72.3 27.7 641 664 P R S S- 0 0 79 -6,-0.5 -2,-0.3 -5,-0.2 -1,-0.2 -0.950 105.1 -65.6-173.7 173.8 24.5 71.4 24.4 642 665 P D - 0 0 84 -2,-0.3 -9,-0.0 1,-0.1 -10,-0.0 -0.464 63.2 -98.0 -74.6 149.9 26.3 68.5 22.8 643 666 P P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.220 40.2-165.7 -66.4 158.0 29.5 67.3 24.5 644 667 P K - 0 0 82 -50,-0.1 3,-0.3 -49,-0.1 4,-0.3 -0.900 33.0-120.7-139.2 167.3 33.0 68.4 23.3 645 668 P Q S > S+ 0 0 8 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.578 88.9 97.4 -85.1 -10.0 36.6 67.4 23.8 646 669 P D H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 80.4 47.5 -45.7 -51.6 37.4 70.9 25.0 647 670 P A H > S+ 0 0 7 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 111.3 51.4 -61.7 -43.4 37.2 70.1 28.8 648 671 P F H > S+ 0 0 2 -4,-0.3 4,-0.7 -54,-0.3 -2,-0.2 0.934 112.9 44.6 -58.7 -49.4 39.4 67.0 28.5 649 672 P L H ><>S+ 0 0 14 -4,-2.2 5,-2.3 1,-0.2 3,-1.0 0.913 111.6 53.2 -63.4 -42.5 42.1 68.8 26.6 650 673 P L H ><5S+ 0 0 100 -4,-2.5 3,-1.8 4,-0.3 -1,-0.2 0.881 103.6 56.7 -60.2 -38.4 42.0 71.7 29.0 651 674 P S H 3<5S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.741 104.1 55.1 -65.1 -21.3 42.4 69.3 31.9 652 675 P K T <<5S- 0 0 25 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.422 124.5-105.2 -90.0 -1.3 45.6 68.2 30.2 653 676 P G T < 5 0 0 67 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.586 360.0 360.0 88.1 11.4 46.9 71.8 30.1 654 677 P L < 0 0 84 -5,-2.3 -4,-0.3 -6,-0.1 -5,-0.1 0.913 360.0 360.0 -91.6 360.0 46.2 72.2 26.4