==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-13 4KX5 . COMPND 2 MOLECULE: CYTOSOLIC 5'-NUCLEOTIDASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.BITTO,C.A.BINGMAN,C.L.GROBOSKY . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.2 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 . 1 0.3 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 2 1 0 0 3 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 A 0 0 117 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 153.7 -2.7 30.6 11.0 2 8 A V - 0 0 18 22,-0.2 2,-0.5 3,-0.0 3,-0.1 -0.758 360.0-174.4 -90.7 131.1 0.5 28.6 10.7 3 9 A H > - 0 0 103 -2,-0.5 3,-1.9 1,-0.1 4,-0.2 -0.904 13.7-167.5-128.0 102.2 2.8 29.6 7.9 4 10 A L G > S+ 0 0 7 -2,-0.5 3,-2.0 1,-0.3 6,-0.3 0.829 87.9 67.1 -55.9 -37.4 5.8 27.3 7.4 5 11 A K G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.1 6,-0.0 0.746 98.4 52.7 -50.0 -30.8 7.4 30.0 5.1 6 12 A M G < S+ 0 0 154 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.337 95.1 80.7 -87.0 -1.5 7.7 32.3 8.2 7 13 A M X - 0 0 10 -3,-2.0 3,-1.5 -4,-0.2 4,-0.4 -0.918 63.7-160.9-112.4 109.8 9.6 29.6 10.3 8 14 A P G > S+ 0 0 103 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.773 87.0 64.6 -68.1 -23.5 13.2 29.4 9.5 9 15 A E G 3 S+ 0 0 29 1,-0.3 3,-0.4 2,-0.2 273,-0.1 0.773 101.9 53.7 -62.4 -28.2 13.7 25.9 10.9 10 16 A F G < S+ 0 0 8 -3,-1.5 -1,-0.3 -6,-0.3 7,-0.1 0.531 102.3 57.9 -81.6 -10.1 11.3 24.7 8.2 11 17 A Q S < S+ 0 0 94 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.462 74.9 118.4-104.8 -0.3 13.3 26.3 5.4 12 18 A K S > S- 0 0 81 -4,-0.5 3,-1.8 -3,-0.4 -3,-0.0 -0.255 77.4-115.9 -66.1 147.8 16.6 24.5 6.1 13 19 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 3,-0.0 262,-0.1 0.810 112.6 63.3 -62.1 -23.1 17.7 22.2 3.2 14 20 A S T 3 S+ 0 0 11 260,-0.1 261,-3.2 262,-0.1 2,-0.7 0.592 84.5 92.1 -74.3 -13.3 17.4 19.1 5.3 15 21 A V E < +A 274 0A 14 -3,-1.8 2,-0.5 259,-0.2 259,-0.2 -0.769 52.6 178.5 -95.4 114.1 13.6 19.6 5.7 16 22 A R E +A 273 0A 104 257,-3.1 257,-2.6 -2,-0.7 2,-0.5 -0.958 1.5 175.9-120.4 119.1 11.4 17.9 3.0 17 23 A I - 0 0 33 -2,-0.5 255,-0.1 255,-0.2 254,-0.1 -0.957 16.9-168.4-127.3 121.6 7.7 18.3 3.2 18 24 A K S S+ 0 0 125 -2,-0.5 -1,-0.1 253,-0.4 254,-0.1 0.917 87.4 28.7 -74.4 -38.5 5.4 16.8 0.5 19 25 A N > + 0 0 76 252,-0.4 4,-2.2 248,-0.2 -1,-0.3 -0.766 64.8 172.9-126.6 82.2 2.2 18.6 1.6 20 26 A P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 -16,-0.2 0.867 79.5 53.5 -68.5 -26.0 3.0 21.9 3.3 21 27 A T H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.902 109.4 48.7 -75.4 -35.8 -0.5 23.0 3.6 22 28 A R H > S+ 0 0 137 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.937 109.9 52.1 -66.3 -41.6 -1.6 19.8 5.3 23 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.947 108.2 53.1 -60.0 -39.5 1.4 20.1 7.7 24 30 A E H X S+ 0 0 44 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 109.4 47.9 -56.8 -48.2 0.2 23.7 8.5 25 31 A E H X S+ 0 0 124 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.858 112.0 49.1 -61.4 -41.2 -3.3 22.4 9.3 26 32 A I H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 112.3 47.3 -64.9 -46.9 -2.0 19.7 11.6 27 33 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.897 110.0 54.1 -63.2 -40.1 0.3 22.1 13.4 28 34 A C H X S+ 0 0 35 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.955 108.1 50.7 -55.8 -44.5 -2.6 24.5 13.7 29 35 A G H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.906 109.6 49.2 -58.5 -42.6 -4.6 21.6 15.3 30 36 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.936 111.0 50.1 -64.5 -46.6 -1.8 20.9 17.8 31 37 A I H < S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 108.5 53.2 -58.5 -45.1 -1.6 24.6 18.7 32 38 A K H < S+ 0 0 175 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.8 43.7 -57.1 -39.2 -5.4 24.7 19.3 33 39 A G H X S- 0 0 14 -4,-1.8 4,-0.6 -5,-0.2 3,-0.4 0.770 91.6-177.9 -78.6 -27.6 -5.3 21.8 21.6 34 40 A G H >X - 0 0 14 -4,-1.8 3,-1.3 1,-0.2 4,-0.6 0.010 55.2 -31.9 58.7-160.5 -2.2 22.9 23.5 35 41 A A H >4 S+ 0 0 28 255,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.826 129.9 67.6 -57.0 -37.1 -0.7 20.9 26.3 36 42 A A H 34 S+ 0 0 80 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.775 109.9 32.7 -59.8 -31.0 -3.9 19.4 27.5 37 43 A K H << S+ 0 0 71 -3,-1.3 189,-2.7 -4,-0.6 -1,-0.3 0.444 97.2 105.8-106.4 -0.0 -4.4 17.3 24.3 38 44 A L E << +b 226 0A 1 -3,-1.0 2,-0.3 -4,-0.6 189,-0.2 -0.576 32.8 165.1 -90.6 143.8 -0.8 16.5 23.4 39 45 A Q E -b 227 0A 0 187,-1.8 189,-1.8 -2,-0.2 2,-0.4 -0.977 24.1-137.2-144.7 155.8 1.2 13.2 23.6 40 46 A I E -bc 228 154A 0 113,-2.8 115,-2.4 -2,-0.3 2,-0.5 -0.921 12.9-174.3-111.5 138.2 4.4 12.1 22.1 41 47 A I E +bc 229 155A 0 187,-2.7 189,-1.8 -2,-0.4 2,-0.4 -0.974 24.0 169.9-128.3 116.1 5.2 8.7 20.6 42 48 A T E -bc 230 156A 0 113,-2.7 115,-2.5 -2,-0.5 189,-0.2 -0.973 33.3-132.0-136.3 146.6 8.8 8.3 19.6 43 49 A D - 0 0 8 187,-2.5 115,-0.2 -2,-0.4 5,-0.1 -0.237 20.2-151.5 -70.7 164.1 11.4 5.8 18.4 44 50 A F >>> + 0 0 0 113,-0.3 4,-2.2 1,-0.2 3,-2.1 0.762 64.8 68.4-102.2 -80.2 14.7 5.7 20.1 45 51 A N T 345S- 0 0 22 1,-0.3 -1,-0.2 2,-0.2 187,-0.1 -0.334 122.8 -6.1 -55.9 123.0 17.8 4.6 18.1 46 52 A M T 345S+ 0 0 17 13,-0.2 -1,-0.3 4,-0.2 5,-0.2 0.472 131.0 68.3 70.8 4.9 18.7 7.1 15.3 47 53 A T T <45S+ 0 0 0 -3,-2.1 -2,-0.2 3,-0.1 -3,-0.1 0.681 120.0 11.6-111.9 -57.0 15.5 9.2 16.1 48 54 A L T <5S+ 0 0 1 -4,-2.2 89,-2.9 -5,-0.1 2,-0.2 0.748 132.4 57.7 -87.3 -27.2 16.4 10.6 19.6 49 55 A S B S-H 56 0C 114 3,-2.6 3,-1.8 -2,-0.3 -3,-0.0 -0.963 78.1 -5.6-147.7 127.0 28.8 12.8 14.5 54 60 A N T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.894 130.6 -53.7 52.6 43.7 31.9 14.3 12.9 55 61 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.528 116.2 109.6 69.7 9.8 31.8 11.9 10.0 56 62 A K E < S-H 53 0C 146 -3,-1.8 -3,-2.6 0, 0.0 -1,-0.2 -0.950 72.5-111.9-115.4 140.7 31.7 8.8 12.3 57 63 A R E -H 52 0C 133 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.411 31.4-135.8 -66.3 139.1 28.7 6.4 12.8 58 64 A C - 0 0 12 -7,-2.9 2,-0.2 -2,-0.1 76,-0.1 -0.658 23.0-100.9 -99.7 156.2 27.2 6.5 16.2 59 65 A P - 0 0 12 0, 0.0 76,-0.3 0, 0.0 -13,-0.2 -0.459 19.6-140.3 -80.7 145.0 26.1 3.4 18.2 60 66 A T > - 0 0 35 -2,-0.2 4,-2.0 -15,-0.1 74,-0.0 -0.388 42.8 -95.8 -76.6 169.3 22.6 1.9 18.6 61 67 A C H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.919 130.8 49.6 -57.7 -44.6 21.8 0.6 22.1 62 68 A H H >> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.914 106.8 55.1 -57.3 -44.7 22.7 -2.8 20.9 63 69 A N H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.833 97.8 64.0 -59.8 -33.9 26.1 -1.5 19.5 64 70 A I H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.897 110.5 37.5 -53.3 -44.9 26.8 -0.0 23.0 65 71 A I H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.6 -2,-0.2 0.911 113.1 57.0 -72.2 -47.1 27.0 -3.6 24.3 66 72 A D H 3< S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.851 114.5 39.5 -48.5 -44.0 28.6 -5.0 21.1 67 73 A N T 3< S+ 0 0 89 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.380 95.5 109.0 -89.9 -5.0 31.5 -2.6 21.5 68 74 A C S X S- 0 0 11 -3,-1.5 3,-1.5 -4,-0.2 8,-0.1 -0.388 79.2-110.3 -83.9 165.5 31.9 -2.7 25.3 69 75 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.582 109.8 68.8 -64.8 -10.9 34.7 -4.2 27.5 70 76 A L T 3 S+ 0 0 45 -5,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.297 88.7 72.8 -98.5 12.5 32.4 -7.0 28.7 71 77 A V S < S- 0 0 6 -3,-1.5 44,-0.1 -6,-0.1 48,-0.0 -0.972 87.0-118.2-122.5 135.9 32.2 -8.7 25.4 72 78 A T > - 0 0 72 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.291 24.2-114.7 -69.3 162.9 35.2 -10.7 24.0 73 79 A D H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.809 116.9 55.4 -69.5 -26.2 36.8 -9.6 20.8 74 80 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 109.9 44.5 -71.1 -47.9 35.7 -12.8 19.1 75 81 A C H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 111.4 54.2 -57.8 -45.8 32.1 -12.2 20.0 76 82 A R H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.894 107.0 51.7 -60.2 -40.6 32.4 -8.5 19.0 77 83 A R H X S+ 0 0 136 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 110.5 47.5 -59.7 -45.6 33.7 -9.7 15.6 78 84 A K H X S+ 0 0 91 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 113.4 48.7 -60.0 -42.9 30.7 -12.0 15.2 79 85 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.869 109.6 51.7 -67.5 -41.1 28.4 -9.2 16.2 80 86 A L H X S+ 0 0 66 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.930 110.7 49.1 -58.8 -44.2 30.0 -6.7 13.7 81 87 A Q H X S+ 0 0 108 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.883 110.7 49.0 -67.8 -42.1 29.6 -9.2 11.0 82 88 A L H X S+ 0 0 17 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.941 111.0 52.1 -57.0 -46.7 25.9 -9.8 11.9 83 89 A K H X S+ 0 0 54 -4,-2.6 4,-2.7 1,-0.2 5,-0.5 0.954 110.3 48.5 -56.5 -47.9 25.5 -6.0 11.9 84 90 A E H X S+ 0 0 117 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.907 117.2 40.2 -57.9 -45.9 27.0 -5.7 8.4 85 91 A Q H X S+ 0 0 93 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.908 122.3 37.2 -71.2 -47.4 24.9 -8.4 6.9 86 92 A Y H X S+ 0 0 9 -4,-3.2 4,-2.7 2,-0.2 -3,-0.2 0.836 110.0 57.8 -86.9 -30.0 21.6 -7.7 8.5 87 93 A Y H X S+ 0 0 46 -4,-2.7 4,-2.3 -5,-0.4 5,-0.3 0.921 103.7 57.9 -59.5 -37.1 21.7 -3.8 8.6 88 94 A A H X S+ 0 0 46 -4,-0.9 4,-0.6 -5,-0.5 -1,-0.2 0.898 109.1 43.1 -60.7 -37.5 22.1 -4.1 4.8 89 95 A I H >< S+ 0 0 31 -4,-0.9 3,-0.6 2,-0.2 -1,-0.2 0.923 108.6 59.3 -72.7 -43.1 18.9 -6.0 4.6 90 96 A E H 3< S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.1 0.909 116.9 31.6 -49.6 -43.5 17.1 -3.6 7.1 91 97 A V H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.500 84.4 133.2 -97.5 -5.8 17.7 -0.6 4.8 92 98 A D X< - 0 0 42 -3,-0.6 3,-0.6 -4,-0.6 8,-0.1 -0.228 44.8-156.0 -49.9 118.3 17.5 -2.4 1.5 93 99 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.722 85.9 58.1 -74.7 -16.1 15.3 -0.3 -0.7 94 100 A V T 3 S+ 0 0 120 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.772 91.2 80.5 -86.4 -22.7 14.3 -3.1 -3.0 95 101 A L S < S- 0 0 47 -3,-0.6 2,-0.1 -6,-0.2 0, 0.0 -0.510 75.8-126.0 -84.5 148.0 12.9 -5.5 -0.4 96 102 A T > - 0 0 66 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.396 27.9-106.4 -81.2 168.4 9.4 -5.2 1.0 97 103 A V H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.901 122.9 51.9 -57.4 -40.4 8.6 -5.0 4.7 98 104 A E H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.880 108.7 49.7 -71.9 -36.8 7.3 -8.6 4.6 99 105 A E H > S+ 0 0 97 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.867 114.0 45.7 -63.5 -37.5 10.6 -9.8 2.9 100 106 A K H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.793 94.4 81.6 -75.1 -30.8 12.7 -8.1 5.5 101 107 A F H X S+ 0 0 78 -4,-1.7 4,-2.4 1,-0.2 3,-0.3 0.891 91.4 44.0 -47.6 -54.5 10.7 -9.3 8.5 102 108 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.879 111.5 54.7 -64.0 -33.3 12.1 -12.8 8.9 103 109 A Y H X S+ 0 0 105 -4,-0.5 4,-2.4 -3,-0.4 -2,-0.2 0.871 107.6 50.5 -68.2 -34.0 15.7 -11.6 8.5 104 110 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 5,-0.2 0.943 109.1 50.7 -67.0 -45.1 15.1 -9.1 11.3 105 111 A V H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.945 112.7 47.9 -51.6 -43.6 13.8 -11.9 13.5 106 112 A E H X S+ 0 0 79 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.901 108.0 53.1 -71.7 -39.5 16.9 -13.9 12.7 107 113 A W H X S+ 0 0 41 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.938 111.9 46.7 -58.9 -49.3 19.3 -11.0 13.4 108 114 A Y H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.908 111.6 50.5 -62.4 -40.3 17.8 -10.5 16.8 109 115 A T H X S+ 0 0 90 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.956 115.2 42.6 -63.8 -44.6 17.8 -14.2 17.6 110 116 A K H X S+ 0 0 94 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.936 118.0 44.2 -68.4 -45.7 21.5 -14.6 16.7 111 117 A S H X S+ 0 0 7 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.923 115.1 47.4 -66.9 -41.9 22.7 -11.4 18.3 112 118 A H H X S+ 0 0 15 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.897 109.0 56.0 -67.0 -39.3 20.7 -11.9 21.5 113 119 A G H X S+ 0 0 30 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.924 109.7 46.1 -46.0 -51.8 22.0 -15.5 21.6 114 120 A L H X S+ 0 0 21 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.837 111.6 50.6 -67.0 -36.9 25.5 -14.2 21.5 115 121 A L H <>S+ 0 0 0 -4,-2.0 5,-0.7 2,-0.2 3,-0.5 0.904 107.8 52.8 -67.5 -42.4 25.0 -11.5 24.2 116 122 A I H ><5S+ 0 0 56 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.925 105.1 56.4 -60.0 -42.0 23.4 -14.0 26.5 117 123 A E H 3<5S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 100.3 59.5 -59.1 -31.3 26.5 -16.3 26.1 118 124 A Q T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.534 102.8-133.6 -74.3 -10.2 28.7 -13.4 27.3 119 125 A G T < 5 - 0 0 26 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.899 21.9-156.8 59.1 49.9 26.9 -13.1 30.7 120 126 A I < - 0 0 0 -5,-0.7 74,-2.3 73,-0.1 2,-0.4 -0.363 10.5-135.5 -60.8 120.7 26.4 -9.3 30.8 121 127 A P B > -I 193 0D 37 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.661 3.9-139.5 -79.4 135.5 26.0 -8.1 34.4 122 128 A K G > S+ 0 0 121 70,-2.3 3,-1.9 -2,-0.4 4,-0.5 0.879 101.3 60.0 -49.7 -47.3 23.3 -5.7 35.3 123 129 A A G 3 S+ 0 0 84 69,-0.4 4,-0.4 1,-0.3 3,-0.4 0.783 101.7 55.9 -61.8 -24.9 25.6 -3.7 37.7 124 130 A K G <> S+ 0 0 82 -3,-1.0 4,-2.4 1,-0.2 -1,-0.3 0.562 80.8 87.0 -81.2 -10.8 28.0 -3.0 34.8 125 131 A L H <> S+ 0 0 8 -3,-1.9 4,-2.6 -4,-0.4 5,-0.3 0.920 84.7 58.5 -59.7 -36.7 25.5 -1.3 32.5 126 132 A K H > S+ 0 0 125 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.936 111.9 38.2 -55.9 -50.0 26.1 2.0 34.1 127 133 A E H > S+ 0 0 94 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.883 112.2 56.8 -72.7 -41.2 29.8 2.0 33.3 128 134 A I H < S+ 0 0 8 -4,-2.4 4,-0.2 2,-0.2 -1,-0.2 0.907 112.5 42.3 -53.6 -45.8 29.4 0.4 29.9 129 135 A V H >< S+ 0 0 5 -4,-2.6 3,-1.5 2,-0.2 5,-0.3 0.926 111.6 54.1 -68.7 -44.9 27.0 3.3 28.9 130 136 A A H 3< S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.884 112.9 44.7 -57.8 -37.1 29.2 6.0 30.5 131 137 A D T 3< S+ 0 0 113 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.466 98.1 98.9 -83.8 -2.3 32.2 4.7 28.5 132 138 A S S < S- 0 0 29 -3,-1.5 -3,-0.1 -4,-0.2 -68,-0.1 -0.280 77.3-123.7 -83.8 177.4 30.3 4.4 25.2 133 139 A D + 0 0 120 2,-0.1 -1,-0.1 -2,-0.0 -3,-0.1 0.087 58.4 142.4-103.5 18.7 30.1 6.8 22.2 134 140 A V - 0 0 30 -5,-0.3 2,-0.4 -76,-0.1 -74,-0.1 -0.326 28.4-170.8 -63.4 146.9 26.4 7.2 22.3 135 141 A M - 0 0 53 -76,-0.3 -85,-2.9 -85,-0.2 2,-0.2 -0.995 15.1-142.0-143.1 131.8 25.1 10.7 21.5 136 142 A L B -G 49 0B 13 -2,-0.4 -87,-0.3 -87,-0.3 3,-0.1 -0.599 41.6 -86.8 -85.8 159.4 21.6 12.2 21.7 137 143 A K > - 0 0 0 -89,-2.9 3,-1.7 -2,-0.2 142,-0.2 -0.236 51.5 -89.9 -66.0 148.4 20.4 14.6 19.1 138 144 A E B 3 S+j 279 0E 114 140,-2.2 142,-2.7 1,-0.2 143,-0.2 -0.327 116.4 31.3 -53.8 134.2 21.2 18.3 19.4 139 145 A G T 3> S+ 0 0 17 140,-0.2 4,-2.1 141,-0.1 -1,-0.2 0.476 76.4 130.1 90.4 7.7 18.4 20.0 21.4 140 146 A Y H <> + 0 0 54 -3,-1.7 4,-2.5 1,-0.2 5,-0.3 0.869 67.7 56.2 -62.6 -36.1 17.6 16.9 23.5 141 147 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 111.8 42.2 -61.8 -43.9 17.6 18.9 26.8 142 148 A N H > S+ 0 0 118 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.841 112.7 54.9 -72.9 -35.3 15.0 21.3 25.6 143 149 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.988 118.3 32.7 -54.7 -65.0 12.9 18.5 24.0 144 150 A F H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.851 119.9 55.0 -66.1 -29.1 12.7 16.5 27.2 145 151 A G H X S+ 0 0 29 -4,-2.3 4,-2.5 -5,-0.3 -3,-0.2 0.932 109.0 43.8 -72.1 -46.6 12.7 19.7 29.4 146 152 A K H X S+ 0 0 45 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.887 114.2 51.7 -63.5 -43.5 9.8 21.4 27.7 147 153 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.3 3,-0.4 0.932 112.8 43.8 -61.7 -44.7 7.8 18.2 27.6 148 154 A Q H ><5S+ 0 0 63 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.912 106.9 60.9 -68.4 -38.8 8.3 17.5 31.4 149 155 A Q H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 114.4 36.3 -54.8 -33.5 7.6 21.2 32.3 150 156 A H T 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.232 111.2-118.1-107.6 12.9 4.1 20.7 30.8 151 157 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.810 49.9 171.7 58.0 34.7 3.6 17.1 31.9 152 158 A I < - 0 0 1 -5,-2.7 -1,-0.2 -6,-0.2 -113,-0.1 -0.623 35.9-117.6 -81.9 126.3 3.3 15.8 28.3 153 159 A P - 0 0 21 0, 0.0 -113,-2.8 0, 0.0 2,-0.4 -0.379 30.2-166.6 -62.2 128.8 3.2 12.0 28.1 154 160 A V E -cd 40 179A 0 24,-2.7 26,-3.0 -115,-0.2 2,-0.6 -0.992 6.1-167.4-122.6 121.7 6.1 10.6 26.2 155 161 A F E -cd 41 180A 0 -115,-2.4 -113,-2.7 -2,-0.4 2,-0.7 -0.941 5.3-162.0-110.1 108.8 6.1 7.0 25.0 156 162 A I E -cd 42 181A 0 24,-3.3 26,-2.9 -2,-0.6 2,-0.6 -0.863 8.6-173.0 -96.4 113.7 9.5 5.8 23.8 157 163 A F E + d 0 182A 0 -115,-2.5 2,-0.4 -2,-0.7 -113,-0.3 -0.898 13.4 169.5-117.5 99.6 8.9 2.7 21.8 158 164 A S E - 0 0 1 24,-2.5 26,-0.3 -2,-0.6 4,-0.1 -0.920 40.4-154.9-122.5 137.5 12.2 1.0 20.8 159 165 A A E S+ 0 0 9 -2,-0.4 45,-0.2 24,-0.2 24,-0.1 -0.002 80.8 85.9 -89.6 22.1 13.3 -2.3 19.2 160 166 A G E S- 0 0 0 43,-0.1 24,-0.7 -99,-0.0 2,-0.5 0.290 100.1 -60.1 -92.5-134.9 16.6 -1.8 21.0 161 167 A I E > - d 0 184A 0 1,-0.1 4,-2.5 22,-0.1 3,-0.3 -0.979 38.3-152.7-122.3 115.1 17.5 -2.8 24.6 162 168 A G H > S+ 0 0 0 22,-2.2 4,-2.9 -2,-0.5 5,-0.3 0.873 92.1 53.7 -56.4 -38.8 15.4 -1.2 27.3 163 169 A D H > S+ 0 0 20 21,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.885 112.9 44.7 -67.3 -37.1 18.1 -1.3 30.1 164 170 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.944 112.6 50.1 -67.9 -53.0 20.6 0.4 27.9 165 171 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.942 110.7 49.3 -50.8 -54.5 18.2 3.0 26.6 166 172 A E H X S+ 0 0 43 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.928 110.5 51.8 -55.0 -41.6 17.0 3.9 30.2 167 173 A E H X S+ 0 0 13 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.900 107.6 52.4 -67.4 -33.7 20.7 4.2 31.3 168 174 A V H X S+ 0 0 7 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.963 115.5 39.2 -64.0 -49.2 21.5 6.6 28.4 169 175 A I H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.7 0.880 114.0 55.3 -73.8 -31.2 18.6 8.9 29.2 170 176 A R H ><5S+ 0 0 121 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.975 110.6 45.7 -58.8 -51.5 19.2 8.6 33.0 171 177 A Q H 3<5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 110.1 52.9 -65.3 -31.7 22.9 9.6 32.6 172 178 A A T 3<5S- 0 0 34 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.514 113.5-123.4 -80.1 -0.9 21.9 12.5 30.3 173 179 A G T < 5S+ 0 0 52 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.767 84.0 105.9 62.8 33.1 19.4 13.6 33.1 174 180 A V < + 0 0 6 -5,-2.7 2,-2.0 1,-0.1 -4,-0.2 0.271 33.4 111.6-121.2 12.2 16.3 13.5 30.9 175 181 A Y + 0 0 66 -6,-0.7 -1,-0.1 -5,-0.2 -5,-0.1 -0.489 53.0 171.9 -84.4 73.5 14.6 10.4 32.1 176 182 A H > - 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