==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 23-MAY-07 2Q0Z . COMPND 2 MOLECULE: PROTEIN PRO2281; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.BENACH,H.NEELY,M.ABASHIDZE,W.C.EDSTROM,J.SEETHARAMAN, . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 1 0 1 2 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 2 0 2 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 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 33 X T 0 0 107 0, 0.0 2,-0.2 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 108.8 6.8 25.6 25.2 2 34 X K > - 0 0 167 1,-0.1 4,-2.1 100,-0.0 5,-0.2 -0.479 360.0-102.0 -95.9 169.4 3.3 25.4 26.7 3 35 X V H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 123.9 58.8 -56.9 -40.8 2.1 27.2 29.8 4 36 X R H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 106.2 47.0 -51.9 -51.4 2.5 23.9 31.7 5 37 X G H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 111.4 51.5 -61.0 -39.4 6.2 23.9 30.8 6 38 X L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 108.8 49.9 -66.2 -39.4 6.6 27.5 31.8 7 39 X I H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.888 109.5 52.9 -66.0 -36.2 5.0 26.9 35.2 8 40 X E H X S+ 0 0 67 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.889 105.9 53.3 -65.8 -38.4 7.3 23.9 35.6 9 41 X I H < S+ 0 0 87 -4,-2.0 4,-0.2 2,-0.2 -1,-0.2 0.895 112.9 44.3 -63.3 -39.4 10.3 26.1 34.9 10 42 X I H >< S+ 0 0 6 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.938 115.4 45.7 -71.4 -46.6 9.2 28.5 37.6 11 43 X S H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.721 106.5 59.8 -71.4 -20.1 8.4 25.9 40.2 12 44 X N T 3< S+ 0 0 101 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.497 80.6 126.1 -84.9 -1.8 11.6 23.9 39.6 13 45 X A S X S- 0 0 17 -3,-1.2 3,-1.6 -4,-0.2 -3,-0.1 -0.158 71.4-124.4 -57.9 148.6 13.7 27.0 40.6 14 46 X A G > S+ 0 0 77 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.704 107.5 74.0 -65.7 -19.8 16.3 26.7 43.3 15 47 X E G 3 S+ 0 0 111 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.772 95.9 48.5 -66.3 -23.8 14.5 29.5 45.1 16 48 X Y G X S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.2 -1,-0.3 0.198 75.5 110.0-100.3 14.7 11.7 27.0 46.0 17 49 X E T < S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.685 84.0 42.8 -64.1 -16.7 14.1 24.3 47.3 18 50 X N T 3 S+ 0 0 144 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.003 72.7 141.1-122.7 32.2 12.9 25.1 50.8 19 51 X I < - 0 0 3 -3,-1.5 32,-0.1 1,-0.1 33,-0.1 -0.570 67.4 -88.6 -71.6 133.5 9.1 25.5 50.5 20 52 X P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.112 36.9-161.0 -47.5 127.1 7.5 23.9 53.6 21 53 X I - 0 0 65 -3,-0.1 2,-0.2 25,-0.0 25,-0.1 -0.950 20.6-162.1-110.7 111.8 6.7 20.1 53.4 22 54 X R > - 0 0 50 -2,-0.6 3,-0.8 1,-0.0 2,-0.4 -0.598 22.5-114.7-102.4 153.0 4.1 19.3 56.1 23 55 X H T 3 S+ 0 0 158 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 -0.670 101.4 17.9 -72.7 131.9 2.9 16.2 57.7 24 56 X H T 3 S+ 0 0 161 -2,-0.4 -1,-0.2 1,-0.0 4,-0.2 0.709 93.5 98.7 82.9 19.3 -0.7 15.6 56.8 25 57 X E X> + 0 0 11 -3,-0.8 4,-2.3 20,-0.1 3,-0.6 0.624 53.0 92.4-105.0 -13.8 -1.1 17.7 53.8 26 58 X D H 3> S+ 0 0 68 -4,-0.3 4,-3.5 1,-0.3 5,-0.2 0.797 81.7 61.3 -52.9 -30.1 -0.7 15.0 51.2 27 59 X N H 3> S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.967 107.4 39.7 -58.9 -59.4 -4.4 14.6 51.3 28 60 X L H <> S+ 0 0 44 -3,-0.6 4,-3.8 -4,-0.2 -1,-0.2 0.914 119.2 50.2 -55.6 -43.9 -5.2 18.1 50.1 29 61 X L H X S+ 0 0 6 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.876 107.1 52.1 -64.8 -41.7 -2.3 17.9 47.7 30 62 X R H < S+ 0 0 165 -4,-3.5 4,-0.4 -5,-0.3 -1,-0.2 0.871 117.3 40.1 -60.2 -39.7 -3.4 14.6 46.3 31 63 X Q H >X S+ 0 0 116 -4,-2.0 3,-1.7 -5,-0.2 4,-1.4 0.933 112.4 53.3 -78.0 -49.2 -6.8 16.1 45.6 32 64 X L H >X S+ 0 0 8 -4,-3.8 4,-2.4 1,-0.3 3,-1.0 0.926 106.7 55.5 -43.5 -50.9 -5.5 19.4 44.5 33 65 X A H 3< S+ 0 0 12 -4,-3.0 7,-0.4 1,-0.3 -1,-0.3 0.719 105.9 52.5 -58.4 -22.1 -3.4 17.3 42.0 34 66 X Q H <4 S+ 0 0 134 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.780 115.7 38.4 -83.3 -27.3 -6.6 15.8 40.8 35 67 X K H << S+ 0 0 132 -4,-1.4 -2,-0.2 -3,-1.0 -3,-0.1 0.759 85.1 102.6 -96.8 -32.9 -8.3 19.2 40.2 36 68 X V S < S- 0 0 5 -4,-2.4 3,-0.2 -5,-0.2 22,-0.1 -0.187 79.3-116.1 -55.6 148.7 -5.7 21.5 38.7 37 69 X P S S+ 0 0 55 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.743 105.8 50.3 -57.6 -30.3 -5.8 22.1 34.9 38 70 X H S S- 0 0 53 16,-0.1 -2,-0.1 -34,-0.0 19,-0.1 -0.802 85.2-147.3-118.4 93.4 -2.4 20.4 34.3 39 71 X K - 0 0 141 -2,-0.6 2,-0.3 -3,-0.2 -5,-0.1 -0.248 11.4-132.9 -64.2 138.4 -2.2 17.1 36.0 40 72 X L - 0 0 31 -7,-0.4 -1,-0.1 1,-0.1 10,-0.0 -0.658 10.0-142.1 -93.2 150.5 1.2 16.0 37.3 41 73 X N S S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.996 80.3 9.6 -77.8 -76.3 2.6 12.6 36.8 42 74 X N S S- 0 0 134 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.707 84.2-159.1 -92.0 15.7 4.6 10.8 39.5 43 75 X P - 0 0 32 0, 0.0 2,-1.0 0, 0.0 -10,-0.0 0.877 13.0-163.5 -13.6 107.1 3.7 13.2 41.9 44 76 X K > - 0 0 122 1,-0.1 3,-2.8 3,-0.0 2,-1.7 -0.807 1.9-164.6 -94.1 92.7 6.1 13.1 44.7 45 77 X F T 3 S+ 0 0 22 -2,-1.0 -20,-0.1 1,-0.3 -1,-0.1 0.046 85.5 62.6 -67.3 33.2 4.1 15.0 47.4 46 78 X N T 3 S+ 0 0 116 -2,-1.7 -1,-0.3 -25,-0.1 3,-0.0 0.294 79.6 98.4-132.0 -5.3 7.3 15.4 49.4 47 79 X D X> - 0 0 48 -3,-2.8 4,-2.3 1,-0.1 3,-0.7 -0.778 65.8-149.6 -91.1 119.2 9.0 17.5 46.7 48 80 X P H 3> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.833 100.4 55.2 -57.8 -30.9 8.9 21.2 47.4 49 81 X H H 3> S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.812 106.5 49.5 -72.8 -29.2 8.9 21.8 43.7 50 82 X V H <> S+ 0 0 24 -3,-0.7 4,-2.1 -6,-0.3 5,-0.2 0.942 112.5 47.2 -72.7 -47.4 5.9 19.5 43.2 51 83 X K H X S+ 0 0 4 -4,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.918 111.1 52.5 -56.4 -45.7 4.0 21.4 46.0 52 84 X T H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.872 107.5 51.8 -59.4 -39.1 5.0 24.7 44.4 53 85 X N H X S+ 0 0 10 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.912 112.2 45.6 -65.7 -42.5 3.7 23.6 41.0 54 86 X L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.908 112.3 50.2 -67.9 -42.3 0.3 22.6 42.5 55 87 X L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.817 109.1 52.8 -67.1 -29.6 0.0 25.8 44.6 56 88 X L H X S+ 0 0 7 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.924 111.9 44.9 -70.8 -42.4 0.8 27.9 41.5 57 89 X Q H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.884 111.6 52.9 -67.0 -38.1 -1.9 26.2 39.5 58 90 X A H <>S+ 0 0 1 -4,-2.5 5,-2.4 2,-0.2 4,-0.4 0.878 108.5 51.2 -63.4 -38.6 -4.3 26.5 42.5 59 91 X H H ><5S+ 0 0 19 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.937 109.9 48.6 -63.3 -48.1 -3.6 30.3 42.6 60 92 X L H 3<5S+ 0 0 1 -4,-2.2 55,-0.3 1,-0.3 -1,-0.2 0.802 116.3 43.4 -62.5 -31.2 -4.3 30.7 38.9 61 93 X S T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 53,-0.2 -2,-0.2 0.436 107.4-129.9 -93.3 -1.4 -7.6 28.7 39.3 62 94 X R T < 5 + 0 0 93 -3,-1.1 -3,-0.2 -4,-0.4 2,-0.2 0.940 44.3 175.3 51.1 55.4 -8.4 30.6 42.5 63 95 X X < - 0 0 60 -5,-2.4 2,-0.3 1,-0.1 -1,-0.2 -0.575 36.1 -95.6 -93.1 155.7 -9.1 27.4 44.4 64 96 X Q + 0 0 176 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.518 48.7 178.1 -68.1 125.6 -9.9 27.1 48.1 65 97 X L - 0 0 36 -2,-0.3 5,-0.0 -7,-0.0 -1,-0.0 -0.934 32.4 -97.0-130.7 158.6 -6.9 26.2 50.3 66 98 X S > - 0 0 47 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.275 42.6-107.7 -63.0 153.0 -6.1 25.7 54.0 67 99 X A H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.891 122.2 49.7 -51.2 -42.6 -4.8 28.6 55.9 68 100 X E H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 111.3 46.5 -64.3 -47.9 -1.4 26.9 56.0 69 101 X L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 109.9 55.4 -63.9 -33.3 -1.4 26.2 52.2 70 102 X Q H X S+ 0 0 82 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.871 107.9 49.2 -66.5 -35.7 -2.5 29.8 51.7 71 103 X S H X S+ 0 0 73 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.882 110.0 50.0 -69.8 -39.3 0.5 31.0 53.6 72 104 X D H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 109.2 53.2 -63.7 -42.3 2.8 28.7 51.6 73 105 X T H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.865 105.3 53.7 -59.2 -39.4 1.2 30.2 48.4 74 106 X E H X S+ 0 0 100 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.877 108.7 49.9 -65.0 -36.5 2.0 33.7 49.6 75 107 X E H < S+ 0 0 73 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.942 111.6 47.1 -66.9 -47.8 5.6 32.8 50.1 76 108 X I H >X S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 4,-1.1 0.945 110.8 53.1 -56.7 -50.0 5.9 31.2 46.6 77 109 X L H 3X S+ 0 0 3 -4,-2.8 4,-0.7 1,-0.3 3,-0.3 0.819 97.4 65.2 -58.0 -33.5 4.2 34.3 45.1 78 110 X S H 3< S+ 0 0 44 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.656 112.4 34.4 -66.7 -14.0 6.7 36.7 46.7 79 111 X K H <> S+ 0 0 71 -3,-1.8 4,-1.5 -4,-0.5 -1,-0.2 0.519 98.8 86.2-114.1 -11.4 9.4 35.2 44.6 80 112 X A H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.3 5,-0.2 0.884 82.0 52.1 -60.2 -50.5 7.5 34.4 41.4 81 113 X I H X S+ 0 0 18 -4,-0.7 4,-2.8 1,-0.2 5,-0.2 0.946 110.1 48.7 -56.5 -50.7 7.6 37.7 39.5 82 114 X R H > S+ 0 0 196 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 113.4 48.9 -57.3 -38.4 11.4 38.0 39.7 83 115 X L H X S+ 0 0 18 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.905 110.7 49.5 -68.2 -40.5 11.7 34.4 38.5 84 116 X I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.905 109.5 51.8 -65.3 -40.6 9.3 34.9 35.6 85 117 X Q H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.907 109.3 50.0 -62.2 -40.7 11.1 38.0 34.5 86 118 X A H X S+ 0 0 44 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.883 109.3 52.4 -64.2 -38.7 14.4 36.0 34.5 87 119 X C H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.909 108.9 48.9 -63.2 -43.2 12.7 33.3 32.5 88 120 X V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.929 109.2 54.0 -61.6 -45.2 11.6 36.0 29.9 89 121 X D H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 112.2 44.2 -51.9 -49.9 15.2 37.3 29.9 90 122 X V H X S+ 0 0 79 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 115.6 45.0 -63.4 -51.5 16.5 33.7 29.1 91 123 X L H <>S+ 0 0 11 -4,-2.7 5,-2.2 1,-0.2 9,-0.2 0.888 117.8 44.2 -62.8 -40.3 13.9 32.8 26.4 92 124 X S H ><5S+ 0 0 9 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.869 109.9 54.7 -74.5 -36.8 14.2 36.2 24.7 93 125 X S H 3<5S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.889 107.5 51.8 -63.4 -35.5 18.0 36.3 24.8 94 126 X N T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.509 119.4-114.8 -77.8 -4.4 18.0 32.9 23.1 95 127 X G T < 5 + 0 0 20 -3,-1.3 142,-2.2 1,-0.2 2,-1.1 0.596 64.3 147.2 83.0 12.5 15.7 34.3 20.4 96 128 X W B >< -A 236 0A 122 -5,-2.2 4,-1.9 140,-0.2 140,-0.2 -0.696 23.2-176.0 -87.4 99.4 12.6 32.2 21.1 97 129 X L H > S+ 0 0 2 138,-1.7 4,-2.5 -2,-1.1 5,-0.2 0.950 74.7 41.5 -61.2 -62.3 9.6 34.4 20.3 98 130 X S H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 117.0 47.8 -55.5 -47.0 6.5 32.3 21.3 99 131 X P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.908 113.1 49.6 -62.8 -41.1 8.0 31.0 24.5 100 132 X A H X S+ 0 0 0 -4,-1.9 4,-1.5 -9,-0.2 -2,-0.2 0.892 112.3 46.6 -65.0 -40.9 9.2 34.5 25.5 101 133 X L H X S+ 0 0 25 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.890 111.6 51.6 -69.3 -38.2 5.7 36.0 24.8 102 134 X A H X S+ 0 0 20 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.887 108.4 51.6 -64.3 -39.1 4.0 33.2 26.7 103 135 X A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.839 107.0 53.7 -66.7 -33.5 6.4 33.8 29.7 104 136 X X H >X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 3,-0.5 0.920 108.5 49.2 -66.5 -41.6 5.4 37.5 29.6 105 137 X E H 3X S+ 0 0 56 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.832 102.6 62.5 -65.7 -31.9 1.7 36.5 29.8 106 138 X L H 3X S+ 0 0 7 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.853 98.8 55.3 -62.4 -33.5 2.5 34.2 32.7 107 139 X A H S+ 0 0 1 -4,-2.8 5,-1.6 1,-0.2 4,-1.3 0.914 110.6 45.7 -57.2 -48.8 -1.5 35.5 34.9 110 142 X V H <5S+ 0 0 4 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.889 115.1 49.0 -63.9 -40.0 0.3 35.2 38.2 111 143 X T H <5S+ 0 0 0 -4,-1.8 105,-0.3 -5,-0.2 -2,-0.2 0.940 120.9 33.4 -65.7 -48.4 -0.5 38.8 39.0 112 144 X Q H <5S- 0 0 5 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.489 106.4-124.5 -88.0 -2.5 -4.2 38.7 38.1 113 145 X A T <5 + 0 0 0 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.988 68.7 110.2 56.4 66.4 -4.6 35.1 39.3 114 146 X X < - 0 0 0 -5,-1.6 2,-0.2 -53,-0.0 -1,-0.2 -0.987 65.5-106.0-161.7 162.5 -6.0 33.7 36.1 115 147 X W > - 0 0 10 -2,-0.3 3,-1.7 -55,-0.3 -9,-0.0 -0.620 32.8-114.2 -95.0 156.3 -5.3 31.4 33.1 116 148 X S T 3 S+ 0 0 43 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.793 117.2 55.7 -58.3 -30.4 -4.4 32.6 29.6 117 149 X K T 3 S+ 0 0 159 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.655 88.9 101.9 -77.3 -15.3 -7.7 31.0 28.4 118 150 X D S < S- 0 0 37 -3,-1.7 2,-0.1 1,-0.1 -4,-0.0 -0.288 84.5 -95.7 -70.9 155.2 -9.8 33.0 30.8 119 151 X S > - 0 0 28 1,-0.1 3,-1.8 2,-0.0 4,-0.1 -0.398 27.3-125.3 -66.2 144.9 -11.8 36.1 29.9 120 152 X Y G > S+ 0 0 94 21,-0.5 3,-1.5 1,-0.3 4,-0.2 0.728 107.4 73.3 -63.6 -21.2 -10.0 39.4 30.5 121 153 X L G > S+ 0 0 0 1,-0.3 3,-1.2 20,-0.2 -1,-0.3 0.611 72.5 82.8 -69.5 -12.5 -13.1 40.4 32.5 122 154 X K G < S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.687 81.9 66.2 -63.6 -17.1 -12.0 38.0 35.3 123 155 X Q G < S+ 0 0 7 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.775 81.0 95.1 -73.4 -28.6 -9.7 40.9 36.4 124 156 X L S X S- 0 0 4 -3,-1.2 3,-1.6 -4,-0.2 44,-0.1 -0.416 86.3-105.7 -70.8 135.2 -12.6 43.1 37.4 125 157 X P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.282 100.4 12.1 -60.8 143.0 -13.7 43.0 41.0 126 158 X H T 3 S+ 0 0 72 1,-0.2 2,-0.6 -4,-0.1 5,-0.1 0.407 88.2 138.5 71.4 -2.4 -16.9 41.2 41.8 127 159 X F < - 0 0 12 -3,-1.6 -1,-0.2 -6,-0.1 2,-0.2 -0.654 31.3-175.2 -78.0 120.0 -17.0 39.6 38.4 128 160 X T > - 0 0 74 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.443 43.7 -89.5-103.6-179.3 -18.0 35.9 38.7 129 161 X S H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.880 127.9 53.2 -58.8 -40.0 -18.3 33.2 36.2 130 162 X E H > S+ 0 0 103 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.894 106.7 53.6 -65.1 -35.7 -21.9 34.1 35.4 131 163 X H H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.966 111.8 45.1 -60.3 -48.4 -20.8 37.7 34.8 132 164 X I H X S+ 0 0 30 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.908 111.3 51.9 -63.9 -39.6 -18.3 36.5 32.4 133 165 X K H X S+ 0 0 108 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.944 112.9 45.5 -63.4 -43.3 -20.8 34.1 30.7 134 166 X R H X S+ 0 0 115 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.841 112.8 49.9 -68.5 -34.2 -23.3 36.9 30.2 135 167 X C H ><>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.2 3,-0.6 0.963 113.4 45.9 -67.9 -49.2 -20.7 39.3 28.9 136 168 X T H ><5S+ 0 0 64 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.881 108.6 56.5 -58.7 -40.8 -19.4 36.7 26.5 137 169 X D H 3<5S+ 0 0 98 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.830 111.1 45.8 -60.0 -28.6 -22.9 35.8 25.5 138 170 X K T <<5S- 0 0 110 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.474 118.5-108.8 -95.1 -1.6 -23.3 39.5 24.6 139 171 X G T < 5S+ 0 0 54 -3,-1.3 2,-0.7 -4,-0.5 -3,-0.2 0.727 74.0 138.4 78.4 18.9 -20.1 39.9 22.7 140 172 X V < + 0 0 13 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.902 11.0 145.6 -98.5 117.2 -18.6 42.0 25.6 141 173 X E + 0 0 87 -2,-0.7 -21,-0.5 -3,-0.1 2,-0.3 0.571 46.8 62.0-129.2 -16.3 -15.0 40.8 26.0 142 174 X S S > S- 0 0 28 1,-0.1 4,-1.6 -22,-0.1 3,-0.3 -0.794 77.0-120.9-117.6 159.4 -12.8 43.8 26.9 143 175 X V H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.864 117.6 58.9 -61.3 -32.7 -12.6 46.1 29.8 144 176 X F H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 100.1 55.2 -65.5 -35.3 -13.2 48.8 27.2 145 177 X D H > S+ 0 0 47 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.867 108.7 49.5 -61.5 -37.4 -16.5 47.1 26.2 146 178 X I H >< S+ 0 0 2 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.914 110.0 49.6 -67.5 -45.3 -17.6 47.4 29.9 147 179 X X H 3< S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 102.7 61.7 -66.0 -29.0 -16.6 51.0 30.2 148 180 X E H 3< S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.696 85.2 98.8 -73.3 -18.2 -18.5 52.0 27.0 149 181 X X S << S- 0 0 14 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.0 -0.339 71.4-128.8 -70.8 150.7 -21.8 50.8 28.5 150 182 X E > - 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