==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-DEC-09 3KXM . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.PAPINUTTO,C.FRANCHIN,R.BATTISTUTTA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 4 1 0 2 0 1 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 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 . 0 1 0 2 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 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 7 A S 0 0 44 0, 0.0 178,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 128.4 17.8 -11.2 -8.5 2 8 A K - 0 0 140 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.964 360.0 -90.8-132.7 157.1 16.8 -7.5 -8.7 3 9 A A - 0 0 4 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.359 24.5-142.0 -62.1 143.5 14.6 -5.4 -6.5 4 10 A R S S+ 0 0 152 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.668 86.4 32.1 -82.1 -17.5 11.0 -5.3 -7.3 5 11 A V S S+ 0 0 59 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.946 121.2 12.4-132.9 150.4 10.6 -1.6 -6.5 6 12 A Y S > S+ 0 0 71 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.743 73.7 141.0 61.3 32.8 13.1 1.4 -6.8 7 13 A A T 3 S+ 0 0 22 1,-0.2 4,-0.2 -4,-0.2 -1,-0.1 0.714 70.2 45.1 -75.0 -21.0 15.6 -0.6 -8.9 8 14 A D T 3> S+ 0 0 95 1,-0.1 4,-1.7 2,-0.1 -1,-0.2 0.257 79.4 105.2-112.5 14.4 16.4 2.4 -11.2 9 15 A V H <> S+ 0 0 14 -3,-0.7 4,-0.9 1,-0.2 3,-0.3 0.954 88.7 35.4 -60.2 -58.4 16.9 5.1 -8.6 10 16 A N H 4 S+ 0 0 3 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.718 112.5 63.4 -69.0 -24.8 20.7 5.4 -8.7 11 17 A V H 4 S+ 0 0 97 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 109.6 38.1 -64.7 -39.7 20.7 4.6 -12.5 12 18 A L H < S+ 0 0 127 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.646 102.9 84.5 -87.3 -16.0 18.7 7.9 -13.2 13 19 A R S < S- 0 0 75 -4,-0.9 5,-0.1 -5,-0.2 0, 0.0 -0.555 92.8 -92.9 -87.2 154.6 20.5 10.1 -10.7 14 20 A P >> - 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.305 39.0-108.1 -66.6 152.4 23.8 11.8 -11.5 15 21 A K H >> S+ 0 0 125 1,-0.3 4,-2.4 2,-0.2 3,-0.5 0.774 114.6 66.6 -51.9 -33.8 26.9 9.9 -10.5 16 22 A E H 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.795 90.2 64.4 -64.0 -32.6 27.7 12.3 -7.6 17 23 A Y H <4 S+ 0 0 26 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.932 122.3 16.4 -48.8 -52.0 24.5 11.2 -5.7 18 24 A W H << S+ 0 0 71 -4,-0.6 2,-2.1 -3,-0.5 -2,-0.2 0.532 98.6 94.9-107.6 -10.5 25.9 7.6 -5.3 19 25 A D >< + 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -1,-0.1 -0.536 47.3 166.1 -83.4 74.6 29.7 8.0 -6.0 20 26 A Y G > + 0 0 26 -2,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.754 63.5 69.0 -68.7 -25.6 30.4 8.4 -2.3 21 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.655 94.9 57.3 -66.6 -17.1 34.2 7.8 -2.8 22 28 A A G < S+ 0 0 66 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.344 81.6 114.6 -93.6 3.3 34.4 11.2 -4.6 23 29 A L < - 0 0 26 -3,-1.6 2,-0.5 -4,-0.1 50,-0.0 -0.469 55.3-152.0 -68.4 141.8 32.9 13.1 -1.6 24 30 A T - 0 0 96 -2,-0.1 2,-0.2 49,-0.0 -2,-0.1 -0.977 20.3-126.8-118.3 118.8 35.3 15.6 0.1 25 31 A V - 0 0 27 -2,-0.5 2,-1.0 1,-0.1 48,-0.0 -0.416 10.5-150.9 -68.4 130.1 34.4 16.0 3.7 26 32 A Q - 0 0 147 -2,-0.2 68,-0.3 69,-0.0 2,-0.2 -0.790 22.4-147.7-101.6 90.0 33.9 19.6 4.9 27 33 A W - 0 0 74 -2,-1.0 68,-0.2 66,-0.1 3,-0.0 -0.358 9.6-153.4 -65.5 128.3 35.0 19.4 8.5 28 34 A G - 0 0 24 66,-3.9 2,-0.6 -2,-0.2 68,-0.3 0.215 38.3 -64.8 -78.5-152.7 33.3 21.6 11.0 29 35 A E > - 0 0 122 1,-0.2 3,-2.3 66,-0.1 4,-0.3 -0.879 32.1-155.9-108.6 108.7 34.7 23.0 14.3 30 36 A Q G > S+ 0 0 66 -2,-0.6 3,-1.8 66,-0.4 -1,-0.2 0.864 91.4 60.4 -48.1 -44.3 35.4 20.4 17.0 31 37 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.3 21,-0.0 22,-0.2 0.646 85.0 74.9 -60.7 -20.3 35.0 23.1 19.7 32 38 A D G < S+ 0 0 37 -3,-2.3 21,-3.6 1,-0.1 22,-0.5 0.695 95.8 56.4 -65.7 -17.9 31.4 23.9 18.9 33 39 A Y E < -A 52 0A 32 -3,-1.8 2,-0.5 -4,-0.3 19,-0.2 -0.949 67.0-165.3-125.5 122.0 30.3 20.6 20.6 34 40 A E E -A 51 0A 112 17,-2.7 17,-1.7 -2,-0.5 2,-0.3 -0.905 24.0-120.7-112.8 137.1 31.0 19.4 24.1 35 41 A V E +A 50 0A 77 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.511 30.9 174.5 -69.9 128.5 30.6 16.0 25.4 36 42 A V E - 0 0 82 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.817 60.6 -19.8-103.3 -42.8 28.1 15.9 28.3 37 43 A R E -A 49 0A 142 12,-1.4 12,-2.6 0, 0.0 -1,-0.3 -0.947 65.5-101.6-165.5 144.5 27.7 12.2 29.1 38 44 A K E +A 48 0A 109 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.416 35.3 172.7 -64.2 138.0 28.2 8.8 27.5 39 45 A V E - 0 0 70 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.583 57.4 -22.5-120.6 -16.9 24.9 7.3 26.3 40 46 A G E -A 47 0A 27 7,-1.8 7,-2.6 2,-0.0 -1,-0.4 -0.987 46.9-155.3-176.0-179.8 26.1 4.2 24.4 41 47 A R E +A 46 0A 193 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.970 10.4 171.8-166.7 151.5 28.7 2.3 22.6 42 48 A G - 0 0 30 3,-2.8 3,-0.5 -2,-0.3 -2,-0.0 -0.847 56.0 -67.7-149.3-167.6 29.1 -0.5 20.0 43 49 A K S S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.774 128.8 28.6 -55.8 -32.8 31.8 -2.2 17.9 44 50 A Y S S+ 0 0 114 1,-0.1 21,-2.2 21,-0.0 2,-0.3 0.396 121.0 15.9-115.6 -3.8 32.5 0.9 15.8 45 51 A S E - B 0 64A 6 -3,-0.5 -3,-2.8 19,-0.2 2,-0.3 -0.994 53.1-129.2-161.6 164.0 31.7 4.0 17.9 46 52 A E E -AB 41 63A 67 17,-2.1 17,-2.8 -2,-0.3 2,-0.4 -0.919 28.9-151.4-115.1 146.7 31.0 5.6 21.2 47 53 A V E +AB 40 62A 32 -7,-2.6 -8,-3.0 -2,-0.3 -7,-1.8 -0.975 14.8 180.0-131.7 131.9 28.0 7.8 21.5 48 54 A F E -AB 38 61A 26 13,-2.2 13,-2.9 -2,-0.4 2,-0.3 -0.968 32.4-120.1-132.4 142.7 27.5 10.8 23.8 49 55 A E E +AB 37 60A 23 -12,-2.6 -13,-3.0 -2,-0.3 -12,-1.4 -0.629 49.7 178.4 -68.1 144.1 24.8 13.4 24.6 50 56 A G E -AB 35 59A 1 9,-2.7 9,-1.6 -2,-0.3 2,-0.4 -0.812 27.4-124.6-139.8 177.4 26.4 16.7 23.8 51 57 A I E -AB 34 58A 47 -17,-1.7 -17,-2.7 -2,-0.3 2,-0.8 -0.992 15.5-135.4-128.7 136.9 25.9 20.5 23.7 52 58 A N E > -A 33 0A 22 5,-2.5 4,-2.0 -2,-0.4 5,-0.3 -0.867 20.2-158.4 -79.6 112.6 26.4 22.9 20.8 53 59 A V T 4 S+ 0 0 54 -21,-3.6 -1,-0.1 -2,-0.8 -20,-0.1 0.763 85.5 61.8 -70.1 -24.9 28.2 25.7 22.8 54 60 A N T 4 S+ 0 0 108 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.940 127.3 8.4 -62.3 -51.2 27.2 28.3 20.1 55 61 A N T 4 S- 0 0 80 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.334 93.8-123.6-114.6 0.5 23.4 27.9 20.7 56 62 A N < + 0 0 117 -4,-2.0 2,-0.3 1,-0.2 -3,-0.1 0.657 60.7 146.3 58.5 21.0 23.3 25.7 23.9 57 63 A E - 0 0 126 -5,-0.3 -5,-2.5 1,-0.1 -1,-0.2 -0.681 51.7-111.9 -84.0 135.6 21.1 23.1 22.0 58 64 A K E +B 51 0A 113 -2,-0.3 51,-0.4 -7,-0.2 2,-0.3 -0.173 42.5 170.8 -59.6 156.7 21.5 19.5 22.8 59 65 A C E -B 50 0A 3 -9,-1.6 -9,-2.7 49,-0.2 2,-0.4 -0.945 33.9-109.7-152.5 173.9 23.0 17.1 20.3 60 66 A I E -BC 49 107A 27 47,-1.9 47,-2.7 -2,-0.3 2,-0.6 -0.968 25.7-158.8-108.5 132.6 24.4 13.5 19.8 61 67 A I E -BC 48 106A 5 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.8 -0.953 2.7-165.6-112.4 118.7 28.1 13.1 19.3 62 68 A K E -BC 47 105A 11 43,-3.3 43,-2.6 -2,-0.6 2,-0.6 -0.874 5.6-160.8-105.5 108.0 29.2 9.9 17.7 63 69 A I E -BC 46 104A 48 -17,-2.8 -17,-2.1 -2,-0.8 2,-0.3 -0.778 17.3-138.0 -91.2 118.8 32.9 9.4 18.1 64 70 A L E -B 45 0A 15 39,-2.6 -19,-0.2 -2,-0.6 3,-0.1 -0.565 4.1-134.0 -82.5 133.9 34.2 6.9 15.5 65 71 A K - 0 0 89 -21,-2.2 -21,-0.0 -2,-0.3 -1,-0.0 -0.345 63.1 -54.4 -68.0 163.2 36.6 4.2 16.4 66 72 A P S S+ 0 0 141 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.204 75.6 173.3 -51.0 123.3 39.4 3.9 13.7 67 73 A V - 0 0 51 -3,-0.1 -3,-0.0 3,-0.0 5,-0.0 -0.988 36.5-102.1-140.2 140.5 37.8 3.5 10.3 68 74 A K > - 0 0 170 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.326 31.8-125.8 -57.7 138.7 38.8 3.4 6.6 69 75 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.865 108.5 60.2 -57.0 -43.2 38.1 6.6 4.8 70 76 A K H > S+ 0 0 104 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.915 109.6 43.7 -43.6 -51.0 36.1 4.7 2.0 71 77 A K H > S+ 0 0 56 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.844 111.7 49.8 -76.7 -38.8 33.7 3.5 4.7 72 78 A I H X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.876 110.1 52.3 -68.2 -32.4 33.3 6.8 6.7 73 79 A K H X S+ 0 0 30 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.805 105.8 55.3 -67.0 -28.3 32.6 8.6 3.4 74 80 A R H X S+ 0 0 34 -4,-0.9 4,-2.2 -5,-0.2 -2,-0.2 0.950 111.0 44.2 -68.1 -44.8 29.9 6.0 2.6 75 81 A E H X S+ 0 0 11 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.919 116.5 46.7 -65.9 -49.7 28.1 6.7 6.0 76 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.915 112.3 49.0 -55.4 -47.0 28.5 10.5 5.5 77 83 A K H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 113.1 47.6 -62.0 -39.8 27.3 10.5 1.9 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.923 111.7 51.3 -70.3 -42.9 24.2 8.4 2.8 79 85 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 12,-0.3 0.916 111.4 45.9 -61.0 -47.3 23.4 10.6 5.7 80 86 A Q H < S+ 0 0 87 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.923 111.8 52.7 -61.2 -44.9 23.6 13.8 3.6 81 87 A N H < S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 118.2 36.0 -60.3 -38.5 21.4 12.1 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.1 -1,-0.2 0.552 81.9 127.8 -93.7 -10.3 18.7 11.2 3.5 83 89 A C T 3< S+ 0 0 53 -4,-1.6 7,-0.1 -3,-0.3 6,-0.1 -0.221 78.1 22.8 -46.1 121.3 18.9 14.3 5.7 84 90 A G T 3 S+ 0 0 58 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.055 91.7 128.6 102.7 -26.2 15.3 15.6 6.0 85 91 A G S X S- 0 0 7 -3,-2.4 3,-1.6 1,-0.2 -1,-0.4 -0.202 75.0 -73.1 -53.5 152.5 13.5 12.4 5.1 86 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 -0.227 111.4 -12.5 -53.1 128.3 10.7 11.0 7.4 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-3.1 -3,-0.1 2,-0.5 0.621 95.7 137.9 49.1 19.5 12.1 9.6 10.6 88 94 A I B < -e 167 0B 2 -3,-1.6 -4,-0.4 78,-0.2 -1,-0.2 -0.839 63.7-108.1 -89.9 122.3 15.7 9.6 9.4 89 95 A V - 0 0 8 78,-1.9 2,-0.6 -2,-0.5 -4,-0.1 -0.250 37.4-123.5 -39.8 134.8 18.3 10.7 12.1 90 96 A K - 0 0 75 -7,-0.1 18,-1.5 -6,-0.1 2,-0.4 -0.790 13.3-146.5 -94.4 113.7 19.6 14.3 11.0 91 97 A L E +D 107 0A 19 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.686 21.8 174.7 -73.3 127.1 23.4 14.7 10.5 92 98 A L E - 0 0 94 14,-3.4 2,-0.3 -2,-0.4 15,-0.2 0.714 57.0 -10.2-104.3 -28.2 24.3 18.3 11.6 93 99 A D E -D 106 0A 36 13,-1.5 13,-2.9 -65,-0.1 2,-0.4 -0.977 48.9-142.0-169.2 158.4 28.1 18.5 11.4 94 100 A I E +D 105 0A 8 -68,-0.3 -66,-3.9 -2,-0.3 2,-0.3 -0.995 29.9 172.4-133.2 128.5 31.2 16.4 11.0 95 101 A V E -D 104 0A 2 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.897 16.5-152.3-139.4 161.4 34.3 17.3 13.0 96 102 A R E -D 103 0A 70 -68,-0.3 -66,-0.4 -2,-0.3 2,-0.3 -0.996 25.8-114.4-139.7 142.8 37.8 15.9 13.8 97 103 A D > - 0 0 43 5,-1.7 4,-2.0 -2,-0.4 5,-0.2 -0.616 30.9-139.6 -69.2 127.7 40.2 16.1 16.7 98 104 A Q T 4 S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.924 93.2 44.4 -63.0 -44.0 43.2 18.0 15.2 99 105 A H T 4 S+ 0 0 178 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.952 129.0 21.5 -62.3 -54.7 46.0 16.0 16.8 100 106 A S T 4 S- 0 0 60 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.629 93.1-131.3 -97.7 -14.4 44.7 12.4 16.3 101 107 A K < + 0 0 97 -4,-2.0 -3,-0.1 1,-0.2 -2,-0.0 0.636 46.2 162.0 67.9 23.1 42.3 13.0 13.4 102 108 A T - 0 0 56 -5,-0.2 -5,-1.7 1,-0.1 -1,-0.2 -0.619 31.6-136.9 -77.9 120.2 39.5 11.1 15.1 103 109 A P E - D 0 96A 16 0, 0.0 -39,-2.6 0, 0.0 2,-0.4 -0.421 16.2-164.5 -83.0 147.5 36.2 12.0 13.5 104 110 A S E -CD 63 95A 6 -9,-3.0 -9,-2.2 -41,-0.2 2,-0.5 -1.000 10.4-147.1-128.0 128.8 33.0 12.7 15.3 105 111 A L E -CD 62 94A 0 -43,-2.6 -43,-3.3 -2,-0.4 2,-0.5 -0.862 15.0-151.1 -93.9 132.3 29.5 12.7 13.6 106 112 A I E +CD 61 93A 2 -13,-2.9 -14,-3.4 -2,-0.5 -13,-1.5 -0.916 20.7 173.8-108.8 130.7 27.1 15.2 15.2 107 113 A F E -CD 60 91A 13 -47,-2.7 -47,-1.9 -2,-0.5 -16,-0.2 -0.662 39.4 -79.7-125.2 165.7 23.4 14.6 15.1 108 114 A E - 0 0 25 -18,-1.5 2,-0.3 -2,-0.2 -49,-0.2 -0.351 57.2-106.2 -52.8 146.9 20.0 16.0 16.3 109 115 A Y - 0 0 54 -51,-0.4 2,-0.4 -50,-0.1 -1,-0.1 -0.688 35.8-174.2 -83.4 136.6 19.4 15.0 19.9 110 116 A V - 0 0 11 -2,-0.3 2,-1.8 -51,-0.1 48,-0.1 -0.994 23.6-138.3-127.0 123.5 16.8 12.3 20.5 111 117 A N - 0 0 73 -2,-0.4 50,-0.3 46,-0.1 49,-0.3 -0.624 36.8-168.3 -82.7 85.8 15.9 11.5 24.1 112 118 A N - 0 0 49 -2,-1.8 2,-0.5 47,-0.1 47,-0.2 -0.322 22.9-149.4 -72.4 149.9 15.7 7.8 23.7 113 119 A T - 0 0 52 45,-1.4 45,-0.2 -2,-0.1 5,-0.1 -0.979 36.8-109.5-113.6 121.2 14.4 5.2 26.0 114 120 A D >> - 0 0 74 -2,-0.5 4,-3.5 1,-0.1 3,-1.2 -0.087 21.7-127.0 -49.4 134.8 16.3 1.9 25.6 115 121 A F H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.744 103.5 64.0 -56.7 -29.0 14.2 -0.9 24.0 116 122 A K H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.851 118.5 28.9 -69.5 -30.8 14.8 -3.5 26.7 117 123 A V H <4 S+ 0 0 98 -3,-1.2 4,-0.4 2,-0.1 -2,-0.2 0.835 124.6 48.0 -91.2 -45.7 13.0 -1.2 29.1 118 124 A L H >X S+ 0 0 5 -4,-3.5 3,-2.1 1,-0.2 4,-0.6 0.951 101.9 59.6 -62.4 -48.2 10.6 0.6 26.5 119 125 A Y G >< S+ 0 0 12 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.796 98.3 54.7 -67.4 -36.5 9.2 -2.3 24.5 120 126 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.649 107.0 54.9 -66.6 -11.9 7.5 -4.3 27.4 121 127 A T G <4 S+ 0 0 86 -3,-2.1 -2,-0.2 -4,-0.4 2,-0.1 0.628 83.5 113.2 -88.9 -17.5 5.6 -1.1 28.3 122 128 A L << - 0 0 2 -3,-1.0 2,-0.1 -4,-0.6 -3,-0.0 -0.337 61.2-141.0 -61.7 125.2 4.2 -0.7 24.7 123 129 A T > - 0 0 77 -2,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.387 34.6 -98.2 -67.7 164.2 0.4 -1.1 24.3 124 130 A D H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.942 127.7 51.6 -53.2 -40.9 -0.9 -3.0 21.2 125 131 A Y H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 104.5 52.8 -63.9 -38.0 -1.6 0.4 19.7 126 132 A D H > S+ 0 0 16 -3,-0.4 4,-5.1 2,-0.2 5,-0.4 0.935 106.4 54.6 -66.6 -36.8 2.0 1.8 20.3 127 133 A I H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.960 111.1 45.7 -55.8 -53.8 3.6 -1.2 18.6 128 134 A R H X S+ 0 0 35 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.951 115.9 47.4 -49.3 -51.1 1.4 -0.5 15.5 129 135 A Y H X S+ 0 0 42 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.932 114.5 41.8 -67.1 -47.5 2.3 3.1 15.7 130 136 A Y H X S+ 0 0 6 -4,-5.1 4,-2.5 2,-0.2 5,-0.2 0.913 113.2 53.7 -77.2 -31.4 6.0 2.8 16.1 131 137 A I H X S+ 0 0 2 -4,-3.0 4,-3.4 -5,-0.4 -1,-0.2 0.945 109.1 50.9 -64.8 -43.6 6.3 0.1 13.5 132 138 A Y H X S+ 0 0 19 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.911 109.1 49.6 -52.6 -42.9 4.5 2.4 11.1 133 139 A E H X S+ 0 0 16 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.911 111.3 49.3 -66.6 -44.5 6.9 5.3 11.8 134 140 A L H >X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.925 107.3 56.3 -64.1 -46.2 9.9 2.9 11.2 135 141 A L H 3X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.873 101.0 57.0 -52.1 -36.8 8.3 1.8 8.0 136 142 A K H 3X S+ 0 0 44 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.861 107.7 48.6 -57.1 -38.1 8.1 5.5 6.8 137 143 A A H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.5 0.909 115.6 49.4 -64.5 -40.3 15.6 5.3 2.3 142 148 A H H ><5S+ 0 0 6 -4,-3.2 3,-2.3 1,-0.2 -1,-0.2 0.950 108.3 53.2 -57.5 -48.1 14.5 2.5 -0.2 143 149 A S H 3<5S+ 0 0 21 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.717 107.6 53.7 -65.7 -15.2 12.9 5.2 -2.5 144 150 A Q T <<5S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.255 125.5 -98.4 -99.2 9.4 16.3 7.0 -2.4 145 151 A G T < 5S+ 0 0 0 -3,-2.3 31,-2.5 1,-0.2 2,-0.4 0.652 82.9 123.2 91.3 12.3 18.4 4.1 -3.5 146 152 A I E < -G 175 0C 0 -5,-2.7 2,-0.5 29,-0.2 -1,-0.2 -0.901 45.2-161.9-121.9 136.1 19.6 3.0 -0.0 147 153 A M E -G 174 0C 0 27,-2.8 27,-2.4 -2,-0.4 58,-0.1 -0.951 11.7-154.5-104.6 135.3 19.4 -0.2 2.0 148 154 A H - 0 0 0 -2,-0.5 24,-0.2 25,-0.2 -1,-0.1 0.894 15.4-168.6 -76.0 -39.3 20.0 0.3 5.7 149 155 A R + 0 0 7 56,-0.1 38,-1.6 1,-0.1 -1,-0.1 0.586 69.0 68.3 58.5 12.6 21.3 -3.3 6.3 150 156 A D + 0 0 8 37,-0.1 2,-0.4 36,-0.1 5,-0.1 -0.018 57.9 159.7-151.8 45.9 21.2 -3.0 10.1 151 157 A V + 0 0 0 40,-0.1 37,-0.3 3,-0.1 64,-0.1 -0.515 22.6 128.5 -67.1 120.3 17.6 -2.8 11.2 152 158 A K S > S- 0 0 39 -2,-0.4 3,-1.5 35,-0.1 4,-0.1 -0.930 71.9 -98.2-163.4 160.9 17.4 -3.8 14.8 153 159 A P G > S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 -38,-0.2 0.812 120.7 62.0 -57.4 -33.2 15.8 -2.2 18.0 154 160 A H G 3 S+ 0 0 92 1,-0.3 -3,-0.1 -40,-0.1 -40,-0.0 0.724 104.5 50.2 -62.9 -25.4 19.3 -0.8 19.1 155 161 A N G < S+ 0 0 6 -3,-1.5 13,-2.6 -5,-0.1 2,-0.6 0.267 94.8 80.4 -97.4 10.5 19.2 1.2 15.8 156 162 A V E < -F 167 0B 4 -3,-1.5 2,-0.4 11,-0.2 11,-0.2 -0.927 67.1-159.2-123.8 102.1 15.7 2.7 16.4 157 163 A M E -F 166 0B 35 9,-2.2 9,-2.4 -2,-0.6 2,-0.5 -0.733 10.2-167.6 -82.2 123.7 15.8 5.6 18.8 158 164 A I E -F 165 0B 2 -2,-0.4 -45,-1.4 7,-0.2 2,-1.0 -0.959 21.0-165.3-122.3 114.0 12.3 6.4 20.4 159 165 A D E >> -F 164 0B 15 5,-2.6 5,-2.3 -2,-0.5 4,-0.5 -0.837 16.8-171.6 -85.0 95.3 11.4 9.5 22.4 160 166 A H T 45S+ 0 0 56 -2,-1.0 -1,-0.1 -49,-0.3 -48,-0.1 0.573 77.5 56.5 -73.7 -12.1 8.2 7.9 23.8 161 167 A E T 45S+ 0 0 167 -50,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.892 115.1 35.5 -83.0 -46.1 7.0 11.2 25.3 162 168 A L T 45S- 0 0 112 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.423 108.1-125.1 -84.0 4.7 7.0 13.1 22.0 163 169 A R T <5 + 0 0 80 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.800 61.6 152.3 46.8 40.9 5.9 9.9 20.2 164 170 A K E < - F 0 159B 45 -5,-2.3 -5,-2.6 2,-0.0 2,-0.4 -0.776 28.2-172.2-108.3 137.7 9.0 10.5 18.0 165 171 A L E - F 0 158B 2 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.984 3.3-175.7-130.8 135.9 11.2 7.8 16.2 166 172 A R E - F 0 157B 40 -9,-2.4 -9,-2.2 -2,-0.4 2,-0.7 -0.997 22.8-136.7-130.9 136.6 14.5 8.1 14.3 167 173 A L E -eF 88 156B 0 -80,-3.1 -78,-1.9 -2,-0.4 -11,-0.2 -0.790 38.1-177.8 -86.0 122.9 16.3 5.4 12.4 168 174 A I + 0 0 37 -13,-2.6 -13,-0.0 -2,-0.7 -78,-0.0 -0.534 39.1 52.9-115.2-179.6 19.9 5.7 13.3 169 175 A D > + 0 0 47 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.991 41.4 175.8 55.2 76.1 23.4 4.1 12.5 170 176 A W G > + 0 0 1 1,-0.2 3,-1.1 2,-0.1 -92,-0.1 0.171 48.0 113.7 -90.6 13.3 23.8 4.2 8.7 171 177 A G G 3 S+ 0 0 6 1,-0.3 -1,-0.2 -21,-0.1 -96,-0.1 0.699 81.4 38.7 -59.8 -28.4 27.3 2.8 9.1 172 178 A L G < S+ 0 0 21 -3,-0.5 -1,-0.3 -24,-0.2 -2,-0.1 0.404 93.7 121.5 -99.5 1.3 26.4 -0.5 7.3 173 179 A A < - 0 0 0 -3,-1.1 2,-0.3 -23,-0.1 -25,-0.2 -0.182 39.3-173.6 -72.4 152.6 24.2 1.2 4.7 174 180 A E E -G 147 0C 13 -27,-2.4 -27,-2.8 -96,-0.0 2,-0.2 -0.984 26.9-107.0-148.0 150.8 24.8 0.8 1.0 175 181 A F E -G 146 0C 0 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.2 -0.558 37.9-120.8 -75.8 149.1 23.5 2.2 -2.3 176 182 A Y + 0 0 2 -31,-2.5 -166,-0.5 -2,-0.2 28,-0.1 -0.866 31.0 176.0 -98.8 119.3 21.4 -0.2 -4.5 177 183 A H > - 0 0 38 -2,-0.5 3,-2.1 -167,-0.1 -169,-0.1 -0.993 42.4-103.0-127.1 118.8 22.7 -1.1 -8.0 178 184 A P T 3 S- 0 0 59 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.164 101.0 -7.7 -45.5 119.1 20.6 -3.7 -10.0 179 185 A G T 3 S+ 0 0 38 -178,-0.4 -177,-0.1 1,-0.2 2,-0.0 0.442 92.5 141.3 74.6 -4.0 22.5 -7.0 -9.9 180 186 A K < - 0 0 73 -3,-2.1 2,-0.4 23,-0.1 -1,-0.2 -0.379 52.7-124.3 -55.0 150.4 25.5 -5.6 -8.2 181 187 A E - 0 0 119 21,-0.1 21,-0.2 -3,-0.1 2,-0.2 -0.936 28.7-157.5-115.7 133.9 26.8 -8.2 -5.7 182 188 A Y - 0 0 5 19,-2.7 2,-0.2 -2,-0.4 21,-0.1 -0.652 25.9 -93.7-114.8 156.8 27.2 -7.3 -2.0 183 189 A N - 0 0 95 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 -0.517 28.8-154.9 -62.6 135.3 29.1 -8.3 1.1 184 190 A V S S+ 0 0 19 -2,-0.2 2,-1.8 1,-0.2 -1,-0.1 0.485 73.5 93.0 -92.1 -5.7 26.9 -10.6 3.1 185 191 A R + 0 0 192 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.384 66.1 107.3 -87.5 65.0 28.5 -9.9 6.4 186 192 A V + 0 0 4 -2,-1.8 -36,-0.1 2,-0.1 -37,-0.1 -0.602 50.2 40.3-122.4-172.9 26.1 -7.1 7.3 187 193 A A S S- 0 0 8 -38,-1.6 2,-0.3 -2,-0.2 -37,-0.1 -0.034 92.9 -78.7 58.6-175.5 23.2 -6.7 9.8 188 194 A S > - 0 0 23 -37,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.836 49.6 -98.7-115.9 162.9 23.6 -8.1 13.2 189 195 A R G > S+ 0 0 87 -2,-0.3 3,-1.7 1,-0.3 42,-0.1 0.836 116.2 49.3 -57.4 -48.8 23.1 -11.8 13.8 190 196 A Y G 3 S+ 0 0 68 1,-0.3 37,-0.4 39,-0.1 -1,-0.3 0.660 117.4 43.9 -66.2 -9.3 19.5 -12.1 15.1 191 197 A F G < S+ 0 0 12 -3,-1.8 -1,-0.3 35,-0.1 2,-0.2 0.242 80.9 125.0-121.6 7.5 18.3 -10.0 12.2 192 198 A K < - 0 0 17 -3,-1.7 -5,-0.1 -4,-0.3 -7,-0.0 -0.540 57.0-125.9 -78.6 138.1 20.2 -11.4 9.2 193 199 A G >> - 0 0 0 -2,-0.2 4,-1.9 1,-0.1 3,-1.1 -0.412 22.3-108.9 -72.2 150.7 18.1 -12.6 6.3 194 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 6,-0.3 0.856 120.0 64.9 -42.5 -43.0 18.2 -16.0 4.7 195 201 A E H 34>S+ 0 0 0 1,-0.2 5,-2.7 106,-0.2 3,-0.4 0.890 105.7 43.1 -50.1 -44.7 19.9 -14.3 1.8 196 202 A L H X45S+ 0 0 7 -3,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.927 112.3 51.3 -67.5 -48.5 22.8 -13.5 4.1 197 203 A L H 3<5S+ 0 0 14 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.540 116.4 41.5 -71.6 -6.3 23.0 -16.9 5.8 198 204 A V T 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.207 114.5-109.2-123.4 12.5 23.1 -18.7 2.4 199 205 A D T < 5 + 0 0 108 -3,-1.3 2,-1.0 1,-0.2 -3,-0.2 0.722 58.0 157.7 62.5 26.4 25.4 -16.4 0.5 200 206 A L < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.3 3,-0.2 -0.740 14.0 177.3 -77.5 112.5 22.9 -14.9 -1.9 201 207 A Q + 0 0 91 -2,-1.0 -19,-2.7 1,-0.2 2,-1.1 0.618 61.2 75.3 -99.1 -20.1 24.9 -11.7 -2.7 202 208 A D S S+ 0 0 51 -21,-0.2 -1,-0.2 -3,-0.1 -23,-0.1 -0.338 73.1 143.9 -91.1 56.9 22.7 -10.0 -5.2 203 209 A Y - 0 0 0 -2,-1.1 2,-0.2 -3,-0.2 -200,-0.2 -0.115 26.3-172.4 -83.5-178.5 20.3 -8.9 -2.4 204 210 A D > - 0 0 8 -202,-0.1 3,-2.7 -28,-0.1 4,-0.3 -0.818 47.4 -46.0-153.4-163.6 18.3 -5.7 -2.1 205 211 A Y T >> S+ 0 0 6 1,-0.3 3,-1.7 -2,-0.2 4,-0.7 0.793 115.7 77.6 -50.1 -35.9 16.0 -3.5 0.1 206 212 A S H 3> S+ 0 0 13 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.694 78.0 72.9 -49.7 -20.7 14.0 -6.5 0.9 207 213 A L H <> S+ 0 0 0 -3,-2.7 4,-1.8 1,-0.2 3,-0.5 0.913 92.5 54.0 -63.0 -34.8 16.7 -7.5 3.4 208 214 A D H <> S+ 0 0 0 -3,-1.7 4,-3.1 -4,-0.3 -1,-0.2 0.759 102.5 59.6 -69.0 -26.7 15.6 -4.7 5.8 209 215 A M H X S+ 0 0 1 -4,-0.7 4,-2.4 -3,-0.3 -1,-0.2 0.859 104.0 48.6 -70.6 -33.5 12.0 -6.2 5.7 210 216 A W H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.5 5,-0.2 0.934 113.0 48.7 -63.9 -48.1 13.2 -9.5 7.0 211 217 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.956 111.3 49.2 -64.3 -41.9 15.1 -7.6 9.8 212 218 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.917 109.0 53.4 -62.2 -40.3 11.9 -5.5 10.5 213 219 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.885 107.9 50.6 -61.5 -36.9 9.9 -8.8 10.7 214 220 A C H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 12,-0.2 0.944 111.9 47.2 -63.4 -43.1 12.3 -10.2 13.2 215 221 A M H X S+ 0 0 5 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.931 114.4 47.4 -61.6 -47.5 12.0 -7.0 15.3 216 222 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.912 109.7 50.6 -63.9 -47.3 8.2 -7.1 15.0 217 223 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.944 109.3 54.4 -55.2 -44.8 7.9 -10.9 15.9 218 224 A G H X>S+ 0 0 2 -4,-2.6 5,-1.8 -5,-0.2 4,-0.7 0.900 112.1 45.1 -48.6 -43.9 10.1 -10.0 19.0 219 225 A M H <5S+ 0 0 7 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.953 116.6 39.2 -73.4 -52.8 7.6 -7.3 19.9 220 226 A I H <5S+ 0 0 0 -4,-2.6 66,-0.3 1,-0.2 -2,-0.2 0.812 124.0 39.9 -70.3 -33.4 4.3 -9.0 19.5 221 227 A F H <5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.470 103.0-129.8 -91.6 -3.9 5.5 -12.4 20.9 222 228 A R T <5 + 0 0 65 -4,-0.7 2,-0.2 -3,-0.4 -3,-0.2 0.963 67.8 125.9 55.9 57.5 7.6 -10.8 23.7 223 229 A K < - 0 0 94 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.762 51.3-146.5-151.3 90.4 10.6 -12.8 22.8 224 230 A E S S+ 0 0 70 -2,-0.2 2,-0.1 1,-0.2 -9,-0.0 -0.932 85.6 24.0-113.2 122.5 13.8 -10.7 22.1 225 231 A P S S- 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.745 79.6-163.1 -78.3 158.6 15.6 -11.8 20.0 226 232 A F S S+ 0 0 11 1,-0.3 2,-0.9 -12,-0.2 -2,-0.1 0.919 84.9 39.7 -72.6 -50.6 13.1 -13.9 18.1 227 233 A F S S- 0 0 3 -37,-0.4 2,-0.9 2,-0.1 -1,-0.3 -0.911 80.1-171.6-100.0 101.9 15.6 -16.1 16.1 228 234 A Y + 0 0 117 -2,-0.9 2,-0.3 -3,-0.2 -38,-0.0 -0.697 17.4 157.4-103.4 79.2 18.2 -16.7 18.8 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 3,-0.1 -0.695 38.3-140.8-101.3 156.2 21.2 -18.5 17.1 230 236 A H S S+ 0 0 129 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.884 80.8 1.4 -88.8 -43.6 24.8 -18.6 18.4 231 237 A D S > S- 0 0 90 1,-0.1 4,-1.7 -42,-0.1 -1,-0.1 -0.764 94.0 -82.3-132.0-176.9 26.8 -18.2 15.2 232 238 A N H >> S+ 0 0 66 -2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.927 127.6 49.0 -59.3 -52.3 25.7 -17.8 11.6 233 239 A H H 3> S+ 0 0 49 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.910 111.1 51.2 -50.2 -43.2 25.1 -21.5 10.9 234 240 A D H 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.867 103.9 61.6 -68.7 -24.3 23.0 -21.7 14.1 235 241 A Q H X S+ 0 0 0 -4,-1.4 3,-3.6 1,-0.2 4,-2.0 0.990 111.0 53.8 -70.3 -59.8 14.9 -19.9 11.2 240 246 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.711 102.7 59.4 -38.8 -37.7 14.5 -23.4 9.5 241 247 A K H 3< S+ 0 0 92 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.406 115.7 33.6 -81.0 -2.5 12.9 -24.7 12.7 242 248 A V H <4 S+ 0 0 14 -3,-3.6 31,-2.9 -5,-0.1 -2,-0.2 0.672 127.0 35.0-110.7 -58.6 10.1 -22.1 12.5 243 249 A L H < S- 0 0 21 -4,-2.0 4,-0.4 29,-0.2 29,-0.3 0.547 109.9-125.3 -71.7 -8.8 9.6 -21.7 8.7 244 250 A G < - 0 0 2 -4,-1.4 4,-0.4 27,-0.5 27,-0.2 0.224 15.4 -98.3 73.4 158.7 10.3 -25.4 8.0 245 251 A T S > S+ 0 0 2 25,-2.1 4,-2.7 2,-0.2 3,-0.2 0.716 112.0 72.2 -86.7 -22.9 12.9 -26.8 5.6 246 252 A D H > S+ 0 0 118 24,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.935 100.6 45.6 -55.0 -49.9 10.4 -27.4 2.7 247 253 A G H > S+ 0 0 31 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.742 112.2 53.8 -63.2 -25.6 10.1 -23.7 2.1 248 254 A L H > S+ 0 0 3 -4,-0.4 4,-3.5 -3,-0.2 -2,-0.2 0.923 105.0 52.0 -74.9 -47.8 13.9 -23.4 2.3 249 255 A N H X S+ 0 0 47 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.896 110.5 48.1 -56.5 -40.2 14.5 -26.1 -0.3 250 256 A V H X S+ 0 0 103 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.924 113.1 49.0 -69.1 -40.8 12.2 -24.3 -2.8 251 257 A Y H X S+ 0 0 4 -4,-1.7 4,-1.6 2,-0.2 3,-0.4 0.969 109.4 52.9 -52.0 -61.6 14.0 -21.0 -2.0 252 258 A L H <>S+ 0 0 6 -4,-3.5 5,-3.0 1,-0.2 -2,-0.2 0.873 112.7 43.5 -41.6 -51.0 17.4 -22.7 -2.5 253 259 A N H <5S+ 0 0 119 -4,-2.1 3,-0.3 3,-0.2 -1,-0.2 0.800 106.5 59.1 -77.1 -27.1 16.5 -24.1 -6.0 254 260 A K H <5S+ 0 0 105 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.890 117.0 33.8 -61.9 -41.9 14.8 -20.9 -7.4 255 261 A Y T <5S- 0 0 34 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.238 113.3-120.3-103.9 7.6 18.0 -19.0 -6.9 256 262 A R T 5 + 0 0 211 -3,-0.3 2,-0.5 -5,-0.2 -3,-0.2 0.906 55.3 159.8 64.9 48.7 20.2 -22.0 -7.7 257 263 A I < - 0 0 32 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.912 33.2-151.4-116.6 129.7 22.0 -22.1 -4.4 258 264 A E - 0 0 179 -2,-0.5 -5,-0.0 1,-0.1 0, 0.0 -0.820 15.3-140.9 -99.5 140.2 23.9 -25.0 -2.9 259 265 A L > - 0 0 14 -2,-0.4 5,-1.3 1,-0.1 4,-0.2 -0.008 34.9-103.2-102.0 28.3 23.9 -25.0 0.8 260 266 A D T >>5 - 0 0 88 3,-0.2 4,-2.5 2,-0.1 3,-1.0 0.842 31.7-106.6 62.7 113.5 27.4 -26.3 1.9 261 267 A P H 3>5S+ 0 0 114 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.801 118.1 43.6 -39.8 -52.5 27.7 -29.8 3.2 262 268 A Q H 3>5S+ 0 0 107 2,-0.2 4,-2.5 3,-0.2 -2,-0.1 0.825 116.5 46.2 -68.6 -34.5 28.1 -28.9 6.9 263 269 A L H <>5S+ 0 0 8 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.986 114.0 47.9 -68.8 -58.2 25.4 -26.2 6.8 264 270 A E H X - 0 0 61 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.137 16.5-122.4 -59.2 143.2 2.5 -22.1 12.9 275 281 A W G > S+ 0 0 10 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.824 109.0 68.7 -54.9 -33.0 2.8 -18.5 14.2 276 282 A L G > S+ 0 0 109 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.729 82.2 74.0 -61.2 -22.3 0.1 -19.2 16.8 277 283 A K G < S+ 0 0 130 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.726 88.6 60.3 -64.2 -19.3 2.4 -21.6 18.6 278 284 A F G < S+ 0 0 30 -3,-1.9 -1,-0.3 -4,-0.3 2,-0.2 0.523 81.4 111.7 -85.6 -4.9 4.3 -18.6 20.0 279 285 A M < + 0 0 86 -3,-1.6 2,-0.3 -4,-0.2 -58,-0.1 -0.479 36.8 152.1 -71.5 134.9 1.2 -17.3 21.7 280 286 A N >> - 0 0 76 -2,-0.2 4,-1.8 1,-0.0 3,-0.6 -0.859 58.9 -86.6-147.8 179.3 1.1 -17.3 25.5 281 287 A A T 34 S+ 0 0 85 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.853 122.5 54.8 -62.6 -39.2 -0.6 -15.3 28.3 282 288 A D T 34 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.758 121.5 30.2 -63.7 -26.5 2.1 -12.6 28.5 283 289 A N T X4 S+ 0 0 0 -3,-0.6 3,-2.3 -62,-0.1 4,-0.4 0.575 88.0 100.3-113.1 -14.3 1.8 -11.9 24.7 284 290 A Q G >< S+ 0 0 117 -4,-1.8 3,-0.9 1,-0.3 -2,-0.1 0.741 75.4 63.6 -46.4 -37.8 -1.9 -12.7 24.0 285 291 A H G 3 S+ 0 0 101 -4,-0.4 -1,-0.3 1,-0.2 -161,-0.2 0.475 109.7 41.2 -70.9 3.4 -3.0 -9.0 24.1 286 292 A L G < S+ 0 0 2 -3,-2.3 -1,-0.2 -66,-0.3 -2,-0.2 0.408 93.0 81.8-126.4 -4.5 -0.7 -8.4 21.0 287 293 A V < + 0 0 10 -3,-0.9 5,-0.1 -4,-0.4 -2,-0.1 -0.037 53.7 152.7-113.0 38.6 -1.2 -11.4 18.7 288 294 A S > - 0 0 36 -3,-0.1 4,-2.3 3,-0.1 3,-0.3 0.043 61.4 -94.9 -47.2 158.2 -4.4 -10.8 16.7 289 295 A P H > S+ 0 0 116 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.828 125.3 52.0 -44.5 -43.6 -5.2 -12.2 13.1 290 296 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.873 107.3 50.4 -73.4 -40.2 -4.0 -9.0 11.5 291 297 A A H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.933 114.5 45.4 -56.5 -46.4 -0.6 -9.0 13.4 292 298 A I H X S+ 0 0 26 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.949 111.0 51.2 -66.9 -44.9 -0.1 -12.6 12.3 293 299 A D H X S+ 0 0 63 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.921 114.8 44.5 -58.0 -44.2 -1.1 -12.0 8.7 294 300 A F H >X S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 4,-0.6 0.943 113.0 49.3 -63.9 -51.7 1.3 -9.1 8.5 295 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-2.2 0.937 109.0 54.5 -51.2 -44.3 4.2 -11.0 10.3 296 302 A D H 3< S+ 0 0 25 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.1 55.2 -67.3 -28.2 3.7 -13.9 7.9 297 303 A K H << S+ 0 0 73 -4,-1.1 10,-1.7 -3,-0.6 -1,-0.3 0.576 112.5 41.6 -80.4 -12.3 4.1 -11.6 5.0 298 304 A L H << S+ 0 0 0 -3,-2.2 2,-1.9 -4,-0.6 -2,-0.2 0.784 102.6 65.2 -96.0 -45.2 7.5 -10.3 6.2 299 305 A L < + 0 0 3 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.509 69.1 133.2 -86.6 74.5 9.2 -13.5 7.4 300 306 A R - 0 0 67 -2,-1.9 6,-0.2 -3,-0.2 5,-0.1 -0.984 56.7-138.1-118.6 129.9 9.5 -15.3 4.0 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-1.0 1,-0.1 -106,-0.2 0.895 91.9 77.9 -45.5 -48.7 12.7 -17.0 2.9 302 308 A D S >> S- 0 0 10 1,-0.2 3,-1.9 -108,-0.1 4,-0.7 -0.580 70.2-161.1 -75.5 111.8 12.2 -15.7 -0.5 303 309 A H T 34 S+ 0 0 2 -2,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.772 89.8 62.1 -62.4 -27.4 13.2 -12.0 -0.3 304 310 A Q T 34 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.651 102.6 51.3 -69.4 -18.0 11.2 -11.4 -3.6 305 311 A E T <4 S+ 0 0 104 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.553 85.5 103.9 -92.4 -21.0 7.9 -12.4 -1.8 306 312 A R S < S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.4 -9,-0.1 -0.301 83.6 -98.8 -65.3 148.7 8.3 -10.2 1.3 307 313 A L - 0 0 25 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.459 35.4-122.4 -58.1 144.2 6.1 -7.1 1.4 308 314 A T > - 0 0 25 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.411 30.2-105.2 -75.1 160.3 7.9 -3.8 0.3 309 315 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -170,-0.1 0.899 122.8 53.2 -57.1 -42.5 7.9 -1.1 2.9 310 316 A L H > S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.916 111.1 46.7 -60.0 -46.6 5.2 0.8 0.9 311 317 A E H >4 S+ 0 0 80 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.878 108.2 55.1 -54.3 -46.1 2.9 -2.3 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 6,-0.2 0.867 101.4 58.0 -58.7 -44.7 3.4 -3.0 4.6 313 319 A M H 3< S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.752 108.3 48.1 -59.8 -22.6 2.3 0.6 5.5 314 320 A T T << S+ 0 0 92 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.386 81.0 119.6 -92.1 -1.1 -1.1 -0.2 3.7 315 321 A H S X S- 0 0 11 -3,-2.0 3,-1.5 -4,-0.2 -25,-0.0 -0.483 77.7-115.5 -77.1 152.0 -1.7 -3.5 5.4 316 322 A P G > S+ 0 0 67 0, 0.0 3,-2.9 0, 0.0 4,-0.3 0.791 107.6 79.7 -55.3 -33.4 -5.0 -3.5 7.5 317 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.3 1,-0.3 4,-0.2 0.754 98.9 40.4 -28.3 -48.3 -3.0 -4.1 10.7 318 324 A F G <> S+ 0 0 0 -3,-1.5 4,-2.7 -6,-0.2 -1,-0.3 0.178 78.9 116.0 -98.3 11.9 -2.1 -0.2 10.7 319 325 A Q H <> S+ 0 0 122 -3,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.875 78.3 47.2 -51.3 -41.2 -5.6 0.9 9.6 320 326 A Q H > S+ 0 0 114 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.891 110.8 53.2 -68.5 -37.6 -6.2 2.8 13.0 321 327 A V H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.931 111.7 45.1 -59.1 -50.0 -2.7 4.4 12.7 322 328 A R H X S+ 0 0 61 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.944 112.1 52.2 -56.5 -48.5 -3.5 5.7 9.1 323 329 A A H < S+ 0 0 61 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.908 108.4 49.8 -62.8 -39.3 -6.9 6.9 10.2 324 330 A A H < S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.927 114.9 46.2 -60.4 -41.2 -5.4 8.9 13.1 325 331 A E H < 0 0 93 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.886 360.0 360.0 -67.9 -44.4 -2.9 10.4 10.7 326 332 A N < 0 0 168 -4,-3.2 -1,-0.1 -5,-0.1 -4,-0.0 -0.501 360.0 360.0 -66.5 360.0 -5.4 11.3 7.9