==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-FEB-08 2ZI4 . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.SABINI,A.LAVIE . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 2 0 0 0 1 0 0 0 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 20 A R 0 0 227 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.6 7.9 15.5 16.0 2 21 A I - 0 0 11 88,-0.1 2,-0.3 90,-0.1 90,-0.2 -0.745 360.0-140.8 -79.7 112.4 11.1 13.9 17.5 3 22 A K E -a 92 0A 67 88,-1.7 90,-2.9 -2,-0.7 2,-0.5 -0.631 15.5-153.2 -71.7 130.8 13.6 13.2 14.6 4 23 A K E +a 93 0A 25 -2,-0.3 138,-3.3 136,-0.2 139,-1.0 -0.949 15.4 179.9-113.7 118.7 15.2 9.8 15.2 5 24 A I E -ab 94 143A 0 88,-2.7 90,-3.0 -2,-0.5 2,-0.4 -0.970 13.2-152.2-116.1 129.9 18.7 9.2 13.8 6 25 A S E -ab 95 144A 0 137,-2.0 139,-3.2 -2,-0.4 2,-0.6 -0.844 7.6-144.9-100.7 147.3 20.8 6.0 14.2 7 26 A I E -ab 96 145A 0 88,-3.0 90,-2.9 -2,-0.4 2,-0.3 -0.942 24.0-172.5-105.6 118.7 24.5 6.0 14.2 8 27 A E E + b 0 146A 0 137,-2.7 139,-3.0 -2,-0.6 2,-0.3 -0.863 18.3 128.0-117.6 148.6 25.8 2.9 12.4 9 28 A G E - b 0 147A 0 -2,-0.3 139,-0.1 137,-0.2 3,-0.1 -0.923 52.9 -79.8 174.4 159.5 29.4 1.6 12.2 10 29 A N S > S- 0 0 5 137,-0.5 3,-2.0 -2,-0.3 4,-0.4 -0.169 70.0 -66.5 -64.7 163.2 31.7 -1.4 12.6 11 30 A I T 3 S+ 0 0 8 1,-0.3 147,-0.2 2,-0.1 -1,-0.2 -0.371 124.3 4.2 -52.0 130.1 33.1 -2.4 16.0 12 31 A A T 3 S+ 0 0 23 145,-0.1 -1,-0.3 -3,-0.1 145,-0.1 0.581 86.5 129.7 62.3 17.4 35.5 0.5 17.2 13 32 A A S < S- 0 0 1 -3,-2.0 -2,-0.1 134,-0.1 -1,-0.1 0.869 87.6 -94.5 -62.8 -40.0 34.7 2.7 14.2 14 33 A G S > S+ 0 0 19 -4,-0.4 4,-2.2 133,-0.1 5,-0.1 0.650 77.3 140.7 132.8 34.8 34.2 5.4 16.7 15 34 A K H > S+ 0 0 10 -5,-0.3 4,-3.2 2,-0.2 5,-0.2 0.895 77.6 45.7 -65.3 -51.6 30.5 5.7 17.6 16 35 A S H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 114.8 51.8 -59.3 -38.2 30.7 6.3 21.4 17 36 A T H 4 S+ 0 0 77 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.927 114.1 42.2 -61.2 -46.1 33.4 8.9 20.5 18 37 A F H >< S+ 0 0 5 -4,-2.2 3,-1.9 1,-0.2 4,-0.5 0.936 111.6 54.9 -64.4 -49.9 31.1 10.6 18.0 19 38 A V H >X S+ 0 0 11 -4,-3.2 3,-1.2 1,-0.3 4,-0.7 0.796 97.2 64.8 -56.1 -35.5 28.1 10.4 20.3 20 39 A N T 3< S+ 0 0 111 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.383 101.4 52.6 -72.4 6.7 29.9 12.1 23.1 21 40 A I T <4 S+ 0 0 25 -3,-1.9 4,-0.4 -5,-0.1 -1,-0.2 0.520 92.6 75.5-111.5 -15.3 30.1 15.2 20.8 22 41 A L T X4 S+ 0 0 1 -3,-1.2 3,-1.5 -4,-0.5 4,-0.4 0.907 88.7 50.4 -72.9 -44.0 26.4 15.4 20.0 23 42 A K G >< S+ 0 0 104 -4,-0.7 3,-1.1 1,-0.3 6,-0.2 0.829 102.8 62.8 -69.3 -29.4 24.8 16.8 23.2 24 43 A Q G 3 S+ 0 0 139 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.674 96.3 61.2 -64.3 -18.4 27.3 19.6 23.3 25 44 A L G < S- 0 0 37 -3,-1.5 -1,-0.2 -4,-0.4 2,-0.2 0.620 119.6 -1.9 -92.8 -12.4 25.9 20.9 20.0 26 45 A S X - 0 0 39 -3,-1.1 3,-1.5 -4,-0.4 -1,-0.3 -0.824 53.4-134.6-176.6 137.9 22.3 21.6 21.1 27 46 A E T 3 S+ 0 0 187 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.0 0.699 107.3 63.3 -71.7 -17.8 20.2 21.2 24.2 28 47 A D T 3 S+ 0 0 27 62,-0.1 64,-2.1 63,-0.1 2,-0.5 0.466 86.6 91.6 -81.6 -4.0 17.5 19.7 22.0 29 48 A W E < +c 92 0A 22 -3,-1.5 2,-0.3 -6,-0.2 64,-0.2 -0.844 53.2 179.0-104.1 126.3 19.7 16.7 21.1 30 49 A E E -c 93 0A 49 62,-2.7 64,-2.6 -2,-0.5 2,-0.3 -0.794 11.3-148.3-124.5 167.3 19.7 13.5 23.1 31 50 A V E -c 94 0A 16 -2,-0.3 64,-0.2 62,-0.2 62,-0.0 -0.956 10.5-155.8-142.0 143.6 21.5 10.2 22.8 32 51 A V E -c 95 0A 6 62,-2.5 64,-2.4 -2,-0.3 45,-0.1 -0.877 23.8-150.7-125.3 97.6 20.9 6.5 23.5 33 52 A P - 0 0 79 0, 0.0 43,-0.0 0, 0.0 -17,-0.0 -0.283 25.8-104.1 -62.9 148.4 24.2 4.6 24.0 34 53 A E - 0 0 24 1,-0.1 2,-2.5 61,-0.1 3,-0.4 -0.675 34.1-124.8 -69.7 123.3 24.4 0.9 23.1 35 54 A P >> + 0 0 18 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.158 58.3 143.2 -73.5 52.6 24.4 -0.9 26.5 36 55 A V H 3> + 0 0 21 -2,-2.5 4,-0.8 1,-0.2 3,-0.3 0.818 68.3 61.6 -59.3 -32.4 27.6 -2.9 26.0 37 56 A A H >4 S+ 0 0 78 -3,-0.4 3,-0.7 1,-0.2 4,-0.3 0.889 101.3 52.4 -60.9 -40.3 28.4 -2.5 29.7 38 57 A R H X4 S+ 0 0 164 -3,-0.6 3,-1.0 1,-0.2 -1,-0.2 0.789 102.4 60.6 -60.2 -29.8 25.3 -4.4 30.6 39 58 A W H 3< S+ 0 0 12 -4,-1.0 12,-1.7 -3,-0.3 11,-1.1 0.739 98.3 56.5 -77.9 -19.2 26.4 -7.2 28.3 40 59 A S T << S+ 0 0 40 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 0.487 120.4 26.6 -89.6 -1.8 29.6 -7.9 30.2 41 60 A N S < S- 0 0 63 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.3 -0.661 85.6-144.7-159.3 89.3 27.7 -8.5 33.5 42 61 A V + 0 0 45 6,-3.9 6,-0.5 -3,-0.3 2,-0.3 -0.456 27.8 170.5 -72.7 119.1 24.2 -9.7 33.0 43 62 A Q 0 0 98 -2,-0.4 -2,-0.1 -5,-0.2 4,-0.1 -0.979 360.0 360.0-129.0 147.6 21.8 -8.3 35.6 44 63 A S 0 0 171 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.339 360.0 360.0 -63.4 360.0 18.0 -8.3 36.0 45 ! 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 46 77 A N 0 0 193 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0-171.4 28.7 -11.0 39.7 47 78 A G - 0 0 33 -7,-0.1 2,-0.2 -4,-0.1 -4,-0.1 -0.967 360.0 -72.2-172.0 166.9 26.9 -11.9 36.5 48 79 A G - 0 0 38 -6,-0.5 -6,-3.9 -2,-0.3 2,-0.9 -0.539 34.6-140.6 -69.7 144.0 27.3 -13.8 33.3 49 80 A N > + 0 0 28 -8,-0.2 4,-2.2 -2,-0.2 -9,-0.2 -0.878 27.8 174.8-101.5 89.1 29.5 -12.0 30.8 50 81 A V H > S+ 0 0 12 -11,-1.1 4,-2.1 -2,-0.9 -10,-0.2 0.757 75.0 60.6 -75.2 -22.6 27.4 -12.9 27.8 51 82 A L H > S+ 0 0 5 -12,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.940 109.5 42.6 -61.4 -49.1 29.6 -10.7 25.6 52 83 A Q H > S+ 0 0 64 -13,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 111.0 55.2 -63.0 -45.6 32.5 -13.0 26.5 53 84 A M H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 8,-0.3 0.924 108.1 48.6 -59.2 -45.5 30.5 -16.2 26.2 54 85 A M H < S+ 0 0 5 -4,-2.1 7,-0.2 7,-0.2 -1,-0.2 0.925 114.8 44.5 -58.9 -49.9 29.5 -15.3 22.6 55 86 A Y H < S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 116.4 46.7 -65.4 -33.1 33.0 -14.5 21.5 56 87 A E H < S+ 0 0 138 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.805 135.8 10.1 -78.7 -31.6 34.5 -17.6 23.2 57 88 A K S >X S+ 0 0 109 -4,-2.2 4,-2.2 -5,-0.2 3,-2.2 -0.486 71.6 169.5-145.2 66.9 31.9 -20.0 21.9 58 89 A P H 3> S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.767 76.8 57.9 -60.2 -30.0 29.8 -18.2 19.2 59 90 A E H 34 S+ 0 0 100 1,-0.2 58,-0.1 2,-0.2 -5,-0.1 0.568 115.8 38.7 -75.5 -10.4 28.1 -21.4 18.0 60 91 A R H <4 S+ 0 0 120 -3,-2.2 4,-0.3 -7,-0.2 -1,-0.2 0.762 128.2 27.7 -98.8 -42.0 26.8 -21.9 21.6 61 92 A W H X S+ 0 0 65 -4,-2.2 4,-2.6 -8,-0.3 -7,-0.2 0.510 88.8 93.1-109.8 -5.1 26.0 -18.3 22.6 62 93 A S H X S+ 0 0 0 -4,-2.0 4,-3.0 53,-0.4 5,-0.2 0.908 91.0 46.1 -58.5 -46.1 25.2 -16.2 19.5 63 94 A F H > S+ 0 0 46 52,-0.4 4,-2.6 -5,-0.2 -1,-0.2 0.962 113.3 48.8 -61.1 -47.4 21.4 -16.7 19.7 64 95 A T H > S+ 0 0 56 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.919 115.0 46.2 -58.5 -46.0 21.2 -16.0 23.5 65 96 A F H X S+ 0 0 14 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.943 110.2 52.1 -60.7 -50.1 23.3 -12.8 22.9 66 97 A Q H X S+ 0 0 3 -4,-3.0 4,-1.9 1,-0.2 5,-0.3 0.872 111.0 49.4 -54.7 -44.4 21.3 -11.7 19.9 67 98 A T H X S+ 0 0 42 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.906 117.5 38.5 -56.9 -50.0 18.1 -12.0 22.0 68 99 A Y H X S+ 0 0 51 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.875 116.2 50.7 -74.2 -41.6 19.5 -10.1 25.0 69 100 A A H X S+ 0 0 1 -4,-3.3 4,-1.9 2,-0.2 -3,-0.2 0.955 113.1 43.6 -63.2 -54.8 21.4 -7.4 23.0 70 101 A C H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 3,-0.2 0.951 115.5 49.6 -56.3 -51.7 18.5 -6.5 20.8 71 102 A L H X S+ 0 0 50 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.905 110.7 49.1 -51.1 -50.5 16.0 -6.5 23.7 72 103 A S H X S+ 0 0 11 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.812 112.0 50.3 -65.8 -30.1 18.3 -4.3 25.9 73 104 A R H X S+ 0 0 4 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.947 108.8 50.3 -71.3 -49.8 18.7 -1.9 23.0 74 105 A I H X S+ 0 0 6 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.924 112.3 47.6 -52.9 -50.7 14.9 -1.6 22.4 75 106 A R H X S+ 0 0 165 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.878 110.6 51.2 -58.8 -43.3 14.2 -0.9 26.0 76 107 A A H X S+ 0 0 32 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.920 114.9 43.8 -60.2 -42.2 17.0 1.7 26.2 77 108 A Q H >X S+ 0 0 3 -4,-2.5 3,-0.9 2,-0.2 4,-0.5 0.923 112.9 49.9 -71.0 -46.9 15.5 3.4 23.1 78 109 A L H >< S+ 0 0 44 -4,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.888 105.5 59.6 -54.9 -39.5 11.9 3.1 24.3 79 110 A A H >< S+ 0 0 60 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.764 99.6 57.7 -60.6 -26.2 13.0 4.7 27.6 80 111 A S H << S+ 0 0 25 -3,-0.9 -1,-0.2 -4,-0.7 5,-0.2 0.612 82.9 79.6 -83.3 -14.6 14.3 7.8 25.7 81 112 A L T << S+ 0 0 40 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.2 0.501 94.2 54.6 -72.5 -6.1 10.9 8.6 24.2 82 113 A N S < S+ 0 0 126 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.2 -0.942 88.0 91.0-126.6 105.6 10.0 10.1 27.6 83 114 A G S > S- 0 0 33 -2,-0.4 3,-2.5 -53,-0.0 4,-0.2 -0.931 96.3 -50.3-174.6-175.0 12.6 12.7 28.6 84 115 A K G > S+ 0 0 84 1,-0.3 3,-1.6 -2,-0.3 4,-0.2 0.716 122.2 75.5 -51.4 -22.3 13.5 16.4 28.4 85 116 A L G > S+ 0 0 4 1,-0.3 3,-1.7 -5,-0.2 -1,-0.3 0.811 74.2 75.2 -58.5 -37.3 12.8 16.0 24.7 86 117 A K G < S+ 0 0 85 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.581 109.6 32.4 -52.4 -11.3 9.0 15.9 25.3 87 118 A D G < S+ 0 0 73 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.326 93.3 113.3-129.5 5.1 9.5 19.7 25.9 88 119 A A < - 0 0 25 -3,-1.7 -60,-0.0 -4,-0.2 -3,-0.0 -0.472 63.9-132.0 -80.5 153.2 12.3 20.7 23.5 89 120 A E S S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.914 100.0 12.4 -70.6 -46.8 11.8 23.0 20.5 90 121 A K S S- 0 0 60 2,-0.1 -1,-0.3 -88,-0.0 2,-0.1 -0.642 85.7-166.7-131.3 72.9 13.7 20.9 17.8 91 122 A P - 0 0 12 0, 0.0 -88,-1.7 0, 0.0 2,-0.4 -0.407 9.0-178.8 -73.8 134.0 14.2 17.5 19.5 92 123 A V E -ac 3 29A 11 -64,-2.1 -62,-2.7 -90,-0.2 2,-0.5 -0.974 9.0-161.6-131.0 117.6 16.6 15.0 17.8 93 124 A L E -ac 4 30A 0 -90,-2.9 -88,-2.7 -2,-0.4 2,-0.5 -0.903 6.4-157.0-100.5 121.6 17.2 11.6 19.4 94 125 A F E -ac 5 31A 0 -64,-2.6 -62,-2.5 -2,-0.5 2,-0.5 -0.868 3.7-158.7-100.6 127.8 20.4 9.7 18.3 95 126 A F E -ac 6 32A 1 -90,-3.0 -88,-3.0 -2,-0.5 2,-0.9 -0.882 18.2-133.4-105.8 131.4 20.5 5.9 18.7 96 127 A E E S-a 7 0A 8 -64,-2.4 -88,-0.1 -2,-0.5 -90,-0.1 -0.811 80.9 -30.0 -82.6 108.5 23.8 4.1 18.8 97 128 A R S S- 0 0 10 -90,-2.9 2,-0.3 -2,-0.9 -90,-0.2 0.019 80.5-127.0 60.9-176.1 23.0 1.3 16.3 98 129 A S > - 0 0 2 -92,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.915 27.3 -89.1-153.0 172.9 19.5 0.0 15.8 99 130 A V H > S+ 0 0 3 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.744 122.7 60.1 -59.7 -26.7 17.3 -3.0 15.7 100 131 A Y H >>S+ 0 0 5 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.932 104.7 44.6 -74.2 -44.6 18.2 -3.2 12.0 101 132 A S H >>S+ 0 0 0 2,-0.2 5,-2.2 3,-0.2 4,-1.6 0.890 108.4 59.4 -64.0 -35.1 21.9 -3.6 12.5 102 133 A D H <>S+ 0 0 3 -4,-1.8 5,-3.4 3,-0.2 6,-0.2 0.959 120.9 27.0 -55.8 -48.5 21.3 -6.2 15.2 103 134 A R H <>S+ 0 0 6 -4,-1.7 5,-1.6 3,-0.2 -2,-0.2 0.906 128.3 36.5 -77.9 -52.1 19.5 -8.3 12.7 104 135 A Y H <5S+ 0 0 26 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.673 130.8 26.2 -87.9 -19.4 20.8 -7.5 9.2 105 136 A I T XS+ 0 0 5 -4,-2.2 5,-2.6 2,-0.2 6,-1.0 0.885 111.5 47.1 -71.1 -39.0 26.5 -15.1 12.7 111 142 A Y H ><5S+ 0 0 60 -4,-2.4 3,-2.3 4,-0.3 -2,-0.2 0.945 111.1 52.2 -59.8 -47.8 23.9 -17.3 11.0 112 143 A E H 3<5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.794 108.4 52.1 -61.7 -29.8 25.8 -17.1 7.7 113 144 A S T 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.354 118.4-112.9 -83.6 0.6 28.9 -18.2 9.6 114 145 A E T < 5S+ 0 0 172 -3,-2.3 -3,-0.2 2,-0.3 -2,-0.1 0.686 85.5 122.9 68.7 17.7 27.0 -21.2 11.2 115 146 A S S - 0 0 89 -2,-0.4 4,-2.6 -58,-0.1 5,-0.2 -0.332 36.9 -89.0 -93.3 179.2 21.5 -22.8 13.0 118 149 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 126.9 51.7 -56.8 -41.5 18.3 -22.7 11.0 119 150 A T H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 111.6 44.5 -61.0 -53.3 16.2 -23.2 14.1 120 151 A E H > S+ 0 0 43 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.941 115.1 49.6 -53.5 -51.7 17.9 -20.3 16.0 121 152 A W H X S+ 0 0 28 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.848 111.9 48.1 -58.1 -40.6 17.7 -18.0 12.9 122 153 A T H X S+ 0 0 81 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.923 114.6 44.7 -67.0 -43.9 14.0 -18.8 12.4 123 154 A I H X S+ 0 0 88 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.947 114.3 50.1 -64.3 -47.7 13.1 -18.2 16.1 124 155 A Y H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.2 -2,-0.2 0.888 112.6 45.0 -60.7 -43.2 15.2 -15.0 16.2 125 156 A Q H X S+ 0 0 50 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.890 113.6 50.5 -70.5 -41.2 13.7 -13.5 13.0 126 157 A D H X S+ 0 0 117 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 113.9 45.8 -52.8 -47.0 10.2 -14.4 14.2 127 158 A W H X S+ 0 0 55 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.931 114.2 47.8 -66.2 -45.5 11.0 -12.8 17.5 128 159 A H H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.828 110.6 51.4 -66.1 -37.8 12.5 -9.8 15.8 129 160 A D H X S+ 0 0 58 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.929 115.0 42.9 -62.5 -47.2 9.5 -9.4 13.4 130 161 A W H X S+ 0 0 139 -4,-2.2 4,-1.4 2,-0.2 5,-0.2 0.925 110.0 54.7 -69.1 -47.6 7.1 -9.5 16.2 131 162 A M H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.886 114.2 43.6 -47.9 -42.6 9.1 -7.2 18.6 132 163 A N H < S+ 0 0 15 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.778 105.0 60.5 -78.9 -30.1 9.1 -4.6 15.8 133 164 A N H < S+ 0 0 73 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.771 113.0 40.3 -65.3 -28.0 5.4 -5.0 14.8 134 165 A Q H < S+ 0 0 109 -4,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.901 125.8 33.0 -85.1 -47.5 4.6 -4.0 18.4 135 166 A F S X S+ 0 0 81 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 -0.365 92.9 122.8-108.7 50.4 7.2 -1.2 18.8 136 167 A G H >> + 0 0 23 -3,-0.3 3,-1.7 -2,-0.3 4,-0.9 0.972 68.9 28.5 -80.5 -91.7 7.0 -0.2 15.1 137 168 A Q H >4 S+ 0 0 78 1,-0.3 3,-0.6 -4,-0.2 -1,-0.1 0.792 116.0 67.9 -43.1 -32.9 6.1 3.4 14.3 138 169 A S H 34 S+ 0 0 50 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.857 108.4 30.5 -60.5 -42.1 7.7 4.3 17.7 139 170 A L H << S+ 0 0 10 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.420 86.2 136.4-102.1 3.6 11.3 3.5 16.8 140 171 A E << - 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0 0 50 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.378 31.2-119.5 -65.6 149.1 38.3 0.3 7.2 151 182 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.813 118.3 56.5 -56.4 -29.2 38.1 -3.0 9.1 152 183 A E H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.901 106.7 46.8 -72.6 -38.4 41.9 -2.6 9.6 153 184 A T H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 113.2 50.7 -61.2 -44.7 41.3 0.9 11.2 154 185 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.856 105.9 54.8 -62.9 -36.8 38.6 -0.8 13.4 155 186 A L H X S+ 0 0 67 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.873 109.8 48.0 -63.8 -39.6 41.0 -3.6 14.4 156 187 A H H X S+ 0 0 106 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.861 109.5 52.0 -67.3 -36.0 43.5 -1.0 15.6 157 188 A R H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.849 101.3 60.2 -74.1 -32.8 40.8 0.8 17.5 158 189 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.932 107.7 47.9 -50.6 -43.7 39.7 -2.4 19.3 159 190 A Y H < S+ 0 0 156 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 111.9 48.7 -69.5 -40.7 43.3 -2.4 20.6 160 191 A L H < S+ 0 0 113 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.4 47.1 -64.7 -38.4 43.1 1.2 21.6 161 192 A R H < S- 0 0 138 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.935 94.5-154.3 -75.6 -47.2 39.8 0.9 23.4 162 193 A G < + 0 0 42 -4,-2.5 2,-0.5 1,-0.2 -3,-0.1 0.755 25.8 167.4 85.5 31.9 40.9 -2.2 25.3 163 194 A R >> - 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0 0 32 1,-0.1 3,-1.3 -94,-0.0 4,-0.3 -0.894 61.7-171.7-123.5 98.8 11.2 -2.8 6.5 195 226 A D G > S+ 0 0 123 -2,-0.6 3,-1.5 1,-0.3 4,-0.4 0.788 77.9 65.9 -69.6 -32.0 10.5 -1.0 3.3 196 227 A Y G >> S+ 0 0 58 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.759 89.4 70.8 -59.3 -25.1 10.7 2.6 4.6 197 228 A L G <4 S+ 0 0 6 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.744 86.7 64.2 -64.0 -26.8 14.5 1.9 5.2 198 229 A Q G <4 S+ 0 0 138 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.785 109.9 39.4 -63.3 -30.1 15.1 1.9 1.4 199 230 A E T <4 S+ 0 0 156 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.772 86.7 118.0 -91.7 -30.0 14.0 5.5 1.4 200 231 A V < - 0 0 6 -4,-1.4 -57,-0.1 1,-0.1 -58,-0.1 -0.073 69.1-117.0 -47.5 126.4 15.7 6.7 4.7 201 232 A P - 0 0 55 0, 0.0 -57,-1.8 0, 0.0 2,-0.4 -0.346 32.8-159.6 -64.3 149.5 18.3 9.4 4.1 202 233 A I E -d 144 0A 33 -59,-0.2 2,-0.5 -16,-0.0 -57,-0.2 -0.997 14.0-157.7-135.7 137.1 21.9 8.5 5.0 203 234 A L E -d 145 0A 27 -59,-2.7 -57,-3.7 -2,-0.4 2,-0.6 -0.975 13.2-157.7-113.9 122.6 24.9 10.5 5.8 204 235 A T E -d 146 0A 48 -2,-0.5 2,-0.5 -59,-0.2 -57,-0.2 -0.879 8.4-171.0-103.5 122.8 28.2 8.7 5.3 205 236 A L E -d 147 0A 0 -59,-3.3 -57,-2.9 -2,-0.6 2,-0.7 -0.970 19.5-139.8-117.5 120.0 31.2 10.0 7.3 206 237 A D E +d 148 0A 87 -2,-0.5 3,-0.2 -59,-0.2 -57,-0.2 -0.701 25.8 173.7 -74.3 114.6 34.7 8.7 6.6 207 238 A V + 0 0 11 -59,-2.9 -58,-0.1 -2,-0.7 -1,-0.1 -0.030 42.2 111.7-118.5 28.9 36.2 8.5 10.1 208 239 A N + 0 0 42 -60,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.795 66.7 73.3 -66.5 -31.7 39.5 6.9 9.2 209 240 A E S S- 0 0 126 -3,-0.2 5,-0.0 1,-0.1 2,-0.0 -0.372 106.9 -68.8 -83.2 165.8 41.5 10.0 10.1 210 241 A D >> - 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