==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 24-JUN-13 4LDG . COMPND 2 MOLECULE: PROTEIN WITH A SET DOMAIN WITHIN CARBOXY REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.K.WERNIMONT,W.TEMPEL,P.LOPPNAU,C.BOUNTRA,C.H.ARROWSMITH, . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 0.9 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 14 A D > 0 0 121 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-147.1 1.3 45.8 -25.7 2 15 A I H > + 0 0 18 1,-0.2 4,-3.9 2,-0.2 5,-0.4 0.635 360.0 83.2 -70.0 -19.9 2.1 44.4 -22.2 3 16 A F H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.881 95.6 37.7 -50.5 -43.5 4.4 42.3 -24.4 4 17 A Y H > S+ 0 0 155 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.852 118.1 48.2 -78.3 -37.5 7.0 45.0 -24.4 5 18 A E H X S+ 0 0 120 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.888 114.1 47.4 -71.7 -40.0 6.5 46.2 -20.8 6 19 A L H X S+ 0 0 10 -4,-3.9 4,-2.4 2,-0.2 -2,-0.2 0.913 108.1 55.7 -64.4 -43.0 6.7 42.6 -19.6 7 20 A S H X S+ 0 0 26 -4,-1.6 4,-1.8 -5,-0.4 -1,-0.2 0.850 109.0 48.1 -58.2 -34.8 9.8 42.0 -21.7 8 21 A Q H X S+ 0 0 79 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.880 108.1 52.7 -74.0 -40.0 11.5 44.9 -19.9 9 22 A K H X S+ 0 0 85 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.927 111.6 48.2 -59.8 -43.5 10.5 43.8 -16.4 10 23 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.903 110.8 49.5 -64.7 -43.0 12.0 40.4 -17.2 11 24 A I H X S+ 0 0 52 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.910 111.7 49.5 -60.7 -43.6 15.2 42.0 -18.6 12 25 A Q H X S+ 0 0 113 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.892 109.0 52.3 -63.4 -41.4 15.5 44.2 -15.4 13 26 A D H X S+ 0 0 40 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.940 109.7 49.9 -57.1 -48.2 15.0 41.1 -13.3 14 27 A L H >X S+ 0 0 10 -4,-2.4 3,-1.5 1,-0.2 4,-0.9 0.952 108.2 52.7 -56.5 -51.2 17.8 39.4 -15.1 15 28 A Y H >< S+ 0 0 135 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.839 105.2 55.5 -53.4 -38.5 20.0 42.5 -14.6 16 29 A S H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.706 110.0 45.7 -69.7 -20.7 19.4 42.4 -10.8 17 30 A K H S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 112.1 46.4 -54.9 -38.3 26.1 39.9 -9.8 20 33 A Y H > S+ 0 0 10 -3,-0.3 4,-1.6 -4,-0.2 -2,-0.2 0.907 112.8 48.9 -68.9 -43.2 24.8 36.6 -8.2 21 34 A F H <>S+ 0 0 6 -4,-2.6 5,-2.7 2,-0.2 4,-0.2 0.922 113.6 47.3 -60.5 -42.9 25.3 34.7 -11.6 22 35 A E H ><5S+ 0 0 121 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.948 110.0 51.1 -68.4 -46.7 28.8 36.1 -12.0 23 36 A R H 3<5S+ 0 0 169 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.834 116.6 42.6 -54.4 -34.8 29.9 35.3 -8.4 24 37 A N T 3<5S- 0 0 77 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.271 109.9-117.9-100.1 12.5 28.6 31.7 -8.9 25 38 A G T < 5 + 0 0 72 -3,-1.5 2,-0.5 -4,-0.2 -3,-0.2 0.795 59.8 155.8 56.4 32.4 30.0 31.1 -12.4 26 39 A I < - 0 0 36 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.795 44.0-123.6 -95.2 125.7 26.5 30.6 -13.7 27 40 A E - 0 0 144 -2,-0.5 80,-0.9 -5,-0.0 2,-0.3 -0.469 33.2-177.7 -64.5 130.6 25.9 31.3 -17.5 28 41 A Y B -A 106 0A 48 -2,-0.2 78,-0.2 78,-0.2 2,-0.1 -0.857 33.1 -85.5-124.9 164.5 23.1 33.8 -18.1 29 42 A F - 0 0 44 76,-2.3 2,-0.4 -2,-0.3 76,-0.1 -0.371 37.8-167.2 -74.2 146.0 21.6 35.1 -21.4 30 43 A T 0 0 98 1,-0.1 -1,-0.0 -2,-0.1 75,-0.0 -0.939 360.0 360.0-137.4 113.3 23.3 38.0 -23.4 31 44 A D 0 0 190 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.258 360.0 360.0-166.7 360.0 21.7 39.9 -26.3 32 ! 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 33 83 A T 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.2 18.4 47.5 2.2 34 84 A R + 0 0 108 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.776 360.0 166.0-100.6 142.1 14.9 46.4 3.3 35 85 A R + 0 0 146 -2,-0.3 2,-0.3 2,-0.0 23,-0.1 -0.969 5.8 148.2-161.8 136.9 13.9 42.7 3.3 36 86 A S - 0 0 113 -2,-0.3 2,-0.4 21,-0.1 -2,-0.0 -0.995 28.8-134.1-165.5 164.5 11.3 40.2 4.6 37 87 A S - 0 0 37 -2,-0.3 2,-0.1 5,-0.0 5,-0.1 -0.975 36.8-107.8-122.6 138.8 9.3 36.9 4.2 38 88 A K > - 0 0 110 -2,-0.4 3,-1.9 1,-0.2 4,-0.2 -0.420 20.9-134.9 -65.2 133.7 5.6 36.5 4.7 39 89 A R G > S+ 0 0 144 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.883 105.7 59.5 -56.6 -35.9 4.9 34.5 7.9 40 90 A V G 3 S+ 0 0 74 1,-0.2 -1,-0.3 43,-0.1 -2,-0.1 0.601 88.5 75.5 -70.5 -5.9 2.3 32.5 5.9 41 91 A S G < S+ 0 0 0 -3,-1.9 2,-0.3 42,-0.1 -1,-0.2 0.507 101.3 32.6 -89.1 -5.9 5.0 31.3 3.5 42 92 A F S < S- 0 0 32 -3,-1.3 3,-0.1 -4,-0.2 35,-0.0 -0.940 70.2-140.7-140.0 166.6 6.5 28.8 5.8 43 93 A G S S+ 0 0 32 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.605 70.8 10.7 -92.7-117.9 5.2 26.6 8.6 44 94 A A S > S- 0 0 49 1,-0.1 3,-2.1 2,-0.1 -1,-0.3 -0.245 77.4-112.2 -63.1 154.3 7.0 25.9 11.8 45 95 A N G > S+ 0 0 129 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.763 112.9 71.9 -61.6 -26.8 10.1 28.0 12.6 46 96 A S G 3 S+ 0 0 86 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.595 86.9 65.5 -67.4 -7.8 12.3 24.9 12.2 47 97 A E G <> S+ 0 0 34 -3,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.641 82.3 81.4 -80.7 -14.4 11.7 25.1 8.4 48 98 A I H <> S+ 0 0 43 -3,-1.6 4,-2.4 -4,-0.3 5,-0.2 0.844 81.2 59.0 -67.3 -34.7 13.5 28.4 8.2 49 99 A S H > S+ 0 0 88 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.927 108.6 42.4 -60.0 -50.7 17.0 27.1 8.1 50 100 A I H > S+ 0 0 68 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.854 113.8 54.1 -66.0 -36.1 16.7 25.0 4.9 51 101 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.935 108.8 46.3 -65.0 -46.0 14.7 27.7 3.2 52 102 A E H < S+ 0 0 114 -4,-2.4 5,-0.2 1,-0.2 -1,-0.2 0.798 116.7 45.3 -72.1 -28.3 17.4 30.4 3.8 53 103 A A H < S+ 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.823 116.8 45.5 -75.2 -34.9 20.1 28.1 2.6 54 104 A T H < S+ 0 0 0 -4,-2.2 9,-2.0 -5,-0.2 10,-1.7 0.900 117.2 42.6 -78.5 -37.7 18.1 26.9 -0.4 55 105 A I E < S-B 62 0B 1 -4,-2.9 2,-0.8 7,-0.2 7,-0.2 -0.918 75.0-137.3-116.2 130.2 16.9 30.4 -1.5 56 106 A D E >> -B 61 0B 38 5,-2.3 4,-1.7 -2,-0.4 5,-1.2 -0.811 15.3-164.1 -84.8 112.7 19.1 33.5 -1.7 57 107 A M T 45S+ 0 0 27 -2,-0.8 -1,-0.1 -5,-0.2 -21,-0.1 0.599 82.6 59.9 -75.7 -13.8 16.8 36.2 -0.3 58 108 A N T 45S+ 0 0 108 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.921 121.8 21.3 -80.1 -43.4 18.9 39.0 -1.6 59 109 A Y T 45S- 0 0 59 2,-0.1 -2,-0.2 -42,-0.1 -1,-0.1 0.545 99.9-125.4-102.5 -8.0 18.6 38.0 -5.3 60 110 A K T <5 + 0 0 83 -4,-1.7 27,-0.6 1,-0.2 2,-0.3 0.957 62.3 135.5 59.3 54.2 15.4 35.9 -5.1 61 111 A V E < -B 56 0B 12 -5,-1.2 -5,-2.3 25,-0.1 2,-0.9 -0.942 66.2-113.3-127.4 153.6 17.0 32.8 -6.7 62 112 A I E -B 55 0B 19 -2,-0.3 -7,-0.2 -7,-0.2 -8,-0.1 -0.808 38.0-179.6 -85.1 106.9 16.9 29.2 -5.9 63 113 A H + 0 0 64 -9,-2.0 -8,-0.2 -2,-0.9 -1,-0.2 0.812 58.1 48.6 -84.3 -37.6 20.6 28.7 -4.9 64 114 A L S S- 0 0 63 -10,-1.7 -10,-0.0 1,-0.1 -11,-0.0 -0.807 90.2-104.0-105.1 148.8 20.7 25.0 -4.1 65 115 A P - 0 0 39 0, 0.0 46,-0.1 0, 0.0 -2,-0.1 -0.354 29.7-172.8 -57.5 149.1 19.4 22.0 -6.2 66 116 A I > + 0 0 0 44,-0.5 3,-1.6 2,-0.1 45,-0.1 0.324 61.2 94.4-126.7 4.9 16.2 20.6 -4.8 67 117 A Y T 3 S+ 0 0 119 43,-0.4 44,-0.1 1,-0.3 7,-0.1 0.731 88.1 56.1 -69.5 -17.2 15.6 17.5 -6.9 68 118 A N T 3 S+ 0 0 110 2,-0.0 -1,-0.3 6,-0.0 2,-0.2 0.468 88.6 100.9 -88.4 -2.8 17.3 15.7 -4.1 69 119 A Y S < S- 0 0 38 -3,-1.6 -3,-0.1 1,-0.1 5,-0.0 -0.547 79.2-106.9 -84.4 149.7 14.9 17.0 -1.5 70 120 A S > - 0 0 65 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.175 35.8-101.2 -65.7 165.8 12.0 14.8 -0.1 71 121 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 123.2 55.8 -55.2 -47.7 8.4 15.6 -1.2 72 122 A K H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 111.3 43.4 -48.7 -48.6 7.8 17.3 2.1 73 123 A W H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.801 109.2 54.7 -80.0 -27.6 10.7 19.7 1.6 74 124 A K H X S+ 0 0 24 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.923 108.4 51.4 -64.1 -42.7 10.0 20.4 -2.1 75 125 A K H X S+ 0 0 123 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.906 107.5 52.6 -57.3 -43.5 6.5 21.4 -1.0 76 126 A I H X S+ 0 0 15 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.954 112.7 44.6 -58.7 -47.4 8.0 23.7 1.6 77 127 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 113.5 49.2 -64.0 -44.2 10.2 25.4 -1.1 78 128 A Y H X S+ 0 0 8 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.947 110.9 49.8 -61.0 -49.0 7.4 25.7 -3.7 79 129 A K H X S+ 0 0 69 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.923 111.4 50.0 -54.0 -46.3 5.0 27.2 -1.2 80 130 A Y H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.914 112.0 46.6 -61.7 -45.0 7.8 29.7 -0.2 81 131 A C H X>S+ 0 0 1 -4,-2.6 5,-2.0 2,-0.2 4,-0.6 0.911 111.5 52.2 -64.6 -40.1 8.5 30.6 -3.9 82 132 A I H ><5S+ 0 0 2 -4,-3.0 3,-0.6 -5,-0.2 -2,-0.2 0.948 116.1 38.4 -59.3 -48.4 4.8 31.0 -4.6 83 133 A L H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.759 120.8 42.2 -82.4 -25.9 4.1 33.4 -1.7 84 134 A N H 3<5S- 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.222 111.5-114.2-103.8 11.9 7.3 35.5 -1.8 85 135 A E T <<5 + 0 0 87 -4,-0.6 2,-0.4 -3,-0.6 -3,-0.2 0.861 55.8 160.9 62.9 43.0 7.3 35.8 -5.6 86 136 A I < + 0 0 3 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.793 10.4 162.5 -90.0 137.1 10.5 33.8 -6.3 87 137 A H - 0 0 53 -27,-0.6 28,-0.2 -2,-0.4 27,-0.2 -0.967 42.6 -92.0-147.2 163.6 10.8 32.5 -9.9 88 138 A S - 0 0 11 26,-2.3 2,-0.6 -2,-0.3 20,-0.1 -0.367 54.3 -97.9 -66.3 157.7 13.3 31.1 -12.4 89 139 A C + 0 0 6 18,-0.2 16,-2.7 17,-0.1 17,-0.8 -0.741 57.3 167.5 -81.9 115.2 14.9 33.8 -14.6 90 140 A T E -C 104 0C 1 -2,-0.6 2,-0.3 14,-0.3 14,-0.2 -0.877 19.8-158.9-122.7 165.4 13.0 33.8 -17.9 91 141 A L E -C 103 0C 14 12,-2.3 12,-2.9 -2,-0.3 2,-0.4 -0.980 16.0-127.7-138.7 154.2 12.9 36.1 -21.0 92 142 A I E -C 102 0C 24 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.854 22.2-169.6 -98.7 135.6 10.4 36.7 -23.8 93 143 A K E -C 101 0C 97 8,-2.3 8,-2.1 -2,-0.4 2,-0.2 -0.982 6.2-158.4-121.4 137.5 11.5 36.6 -27.5 94 144 A K + 0 0 84 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.638 20.5 168.2-101.7 170.3 9.5 37.7 -30.5 95 145 A D - 0 0 95 -2,-0.2 4,-0.5 1,-0.1 -2,-0.0 -0.950 46.9-124.3-177.8 148.9 10.3 36.4 -34.0 96 146 A A S S+ 0 0 112 -2,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.744 112.3 41.4 -76.3 -26.7 9.0 36.2 -37.6 97 147 A F S S+ 0 0 89 2,-0.1 -2,-0.1 -3,-0.1 -1,-0.0 0.968 128.6 17.4 -82.5 -68.2 9.4 32.3 -37.4 98 148 A K S S- 0 0 60 1,-0.3 2,-0.2 -4,-0.1 -2,-0.1 0.459 92.0-140.4 -91.2 -3.1 8.2 31.0 -34.0 99 149 A G - 0 0 32 -4,-0.5 -1,-0.3 2,-0.0 2,-0.2 -0.513 61.6 -9.8 75.0-150.1 6.1 34.1 -32.8 100 150 A R S S+ 0 0 67 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.546 76.8 171.0 -72.1 145.4 6.4 35.0 -29.1 101 151 A C E -C 93 0C 12 -8,-2.1 -8,-2.3 -2,-0.2 2,-0.5 -0.981 30.7-125.4-152.1 169.3 8.2 32.5 -26.8 102 152 A V E -C 92 0C 0 105,-0.4 105,-3.5 -2,-0.3 2,-0.3 -0.960 29.4-177.4-119.3 127.4 9.6 32.1 -23.3 103 153 A I E -CD 91 206C 4 -12,-2.9 -12,-2.3 -2,-0.5 2,-0.4 -0.873 34.2 -98.2-122.4 158.4 13.2 31.1 -22.8 104 154 A A E -C 90 0C 0 101,-2.5 100,-2.8 98,-0.4 -14,-0.3 -0.611 22.7-159.7 -71.6 128.1 15.4 30.3 -19.8 105 155 A G S S- 0 0 0 -16,-2.7 -76,-2.3 -2,-0.4 2,-0.3 0.588 77.9 -8.5 -82.8 -16.2 17.5 33.4 -18.9 106 156 A S B S-A 28 0A 7 -17,-0.8 -78,-0.2 -78,-0.2 -1,-0.2 -0.941 107.9 -41.3-162.4 177.7 19.9 31.1 -17.0 107 157 A L - 0 0 71 -80,-0.9 2,-0.6 -2,-0.3 -18,-0.2 -0.187 46.2-162.1 -48.4 128.9 20.2 27.5 -15.9 108 158 A I B -E 201 0D 1 93,-2.8 93,-3.1 -20,-0.1 91,-0.1 -0.964 16.7-145.3-112.4 109.8 17.0 26.0 -14.6 109 159 A R > - 0 0 55 -2,-0.6 3,-2.0 91,-0.2 88,-0.3 -0.377 33.1 -78.9 -71.8 154.2 17.8 22.9 -12.6 110 160 A K T 3 S+ 0 0 84 1,-0.3 -44,-0.5 88,-0.1 -43,-0.4 -0.267 116.8 12.7 -49.7 131.4 15.6 19.9 -12.6 111 161 A D T 3 S+ 0 0 19 86,-1.8 -1,-0.3 1,-0.3 87,-0.1 0.307 89.9 144.3 76.2 -4.2 12.6 20.4 -10.2 112 162 A D < - 0 0 8 -3,-2.0 85,-1.6 1,-0.1 2,-0.4 -0.261 62.3-104.0 -55.6 147.9 13.2 24.1 -9.7 113 163 A F E -F 196 0E 4 83,-0.2 83,-0.2 1,-0.2 -51,-0.1 -0.685 43.4-179.0 -62.7 125.7 10.1 26.3 -9.4 114 164 A V E - 0 0 0 81,-3.1 -26,-2.3 -2,-0.4 2,-0.3 0.878 49.6 -37.1 -96.7 -65.3 9.8 27.9 -12.8 115 165 A L E -F 195 0E 9 80,-0.6 80,-3.1 -28,-0.2 -1,-0.3 -0.987 51.9-111.5-157.4 153.6 6.8 30.3 -12.8 116 166 A E E -F 194 0E 24 -2,-0.3 2,-1.3 78,-0.2 52,-0.3 -0.710 29.3-125.2 -86.5 143.7 3.3 30.5 -11.4 117 167 A Y - 0 0 5 76,-3.3 76,-0.4 -2,-0.3 2,-0.2 -0.775 43.1-169.7 -84.6 93.0 0.5 30.2 -13.9 118 168 A K + 0 0 46 -2,-1.3 2,-0.3 47,-0.7 51,-0.1 -0.601 26.5 105.2 -88.7 149.7 -1.2 33.5 -12.9 119 169 A G S S- 0 0 25 -2,-0.2 2,-0.5 45,-0.1 39,-0.3 -0.945 75.0 -45.8 174.2-167.6 -4.6 34.8 -13.9 120 170 A N E -J 157 0F 85 37,-2.5 37,-2.8 -2,-0.3 2,-0.4 -0.818 56.7-134.5 -86.9 125.9 -8.2 35.2 -12.6 121 171 A L E -J 156 0F 62 -2,-0.5 2,-0.5 35,-0.2 35,-0.2 -0.634 18.4-160.4 -83.4 130.3 -9.2 32.0 -10.9 122 172 A I E +J 155 0F 11 33,-3.3 33,-1.7 -2,-0.4 3,-0.0 -0.963 17.9 175.9-119.3 127.4 -12.7 30.9 -11.8 123 173 A T + 0 0 75 -2,-0.5 2,-0.7 31,-0.2 30,-0.2 0.658 67.9 69.3-104.3 -22.7 -14.6 28.5 -9.5 124 174 A Q >> - 0 0 56 1,-0.1 4,-1.1 31,-0.1 3,-1.0 -0.895 68.4-158.7 -98.6 111.4 -18.0 28.4 -11.4 125 175 A L H 3> S+ 0 0 52 -2,-0.7 4,-2.3 1,-0.3 5,-0.2 0.739 88.1 64.5 -68.4 -24.6 -17.4 26.6 -14.7 126 176 A N H 3> S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.849 102.0 52.2 -64.0 -31.3 -20.5 28.1 -16.4 127 177 A E H <> S+ 0 0 105 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.894 109.5 50.0 -64.5 -41.1 -18.7 31.5 -16.0 128 178 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.923 109.7 47.8 -65.8 -48.1 -15.6 30.0 -17.7 129 179 A K H X S+ 0 0 101 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.914 112.2 50.3 -61.3 -40.7 -17.4 28.6 -20.7 130 180 A E H X S+ 0 0 120 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.919 110.8 50.0 -63.2 -42.8 -19.3 31.9 -21.2 131 181 A L H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 108.1 53.7 -58.0 -41.3 -16.0 33.7 -21.1 132 182 A E H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.944 108.5 48.9 -60.6 -47.3 -14.6 31.3 -23.6 133 183 A E H X S+ 0 0 137 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.870 109.9 52.0 -60.3 -38.4 -17.5 32.0 -25.9 134 184 A K H X S+ 0 0 100 -4,-2.2 4,-1.9 2,-0.2 6,-0.2 0.925 109.4 48.4 -66.4 -45.6 -17.0 35.8 -25.6 135 185 A Y H <>S+ 0 0 3 -4,-2.4 5,-2.3 2,-0.2 4,-0.4 0.940 113.3 48.1 -59.4 -44.3 -13.3 35.6 -26.4 136 186 A A H ><5S+ 0 0 66 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.938 111.4 49.7 -62.7 -44.3 -14.1 33.4 -29.5 137 187 A L H 3<5S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.6 47.2 -65.0 -31.6 -16.9 35.8 -30.7 138 188 A S T 3<5S- 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.376 112.4-119.9 -86.3 -2.3 -14.6 38.9 -30.3 139 189 A N T < 5 + 0 0 149 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.756 65.5 143.7 60.9 30.9 -11.8 37.1 -32.2 140 190 A R < - 0 0 106 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.660 54.3-112.9 -91.5 148.4 -9.6 37.4 -29.2 141 191 A G - 0 0 53 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.078 29.4-139.8 -60.5-177.8 -7.1 34.7 -28.2 142 192 A C - 0 0 56 2,-0.1 2,-0.8 16,-0.0 -10,-0.0 -0.887 17.8-171.1-158.6 114.0 -7.8 32.9 -25.0 143 193 A Y + 0 0 87 -2,-0.3 15,-3.0 2,-0.0 2,-0.4 -0.731 34.5 148.5-109.6 77.3 -5.3 31.9 -22.4 144 194 A M E -K 157 0F 31 -2,-0.8 2,-0.5 13,-0.2 13,-0.2 -0.915 31.5-159.7-117.8 142.4 -7.4 29.7 -20.2 145 195 A Y E -K 156 0F 24 11,-2.4 11,-2.4 -2,-0.4 2,-0.4 -0.907 3.9-165.6-128.3 103.4 -6.3 26.7 -18.2 146 196 A Y E +K 155 0F 74 -2,-0.5 2,-0.3 9,-0.3 9,-0.2 -0.737 24.3 152.9 -81.7 134.4 -8.9 24.2 -17.0 147 197 A F E -K 154 0F 16 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.960 39.1-123.5-154.3 164.0 -7.7 21.8 -14.3 148 198 A K E +K 153 0F 93 -2,-0.3 69,-1.6 5,-0.2 2,-0.3 -0.964 34.1 160.5-113.0 129.9 -8.9 19.6 -11.4 149 199 A A E > +K 152 0F 7 3,-2.4 3,-1.6 -2,-0.5 -2,-0.1 -0.980 64.9 7.5-145.4 143.4 -7.4 20.0 -7.9 150 200 A N T 3 S- 0 0 129 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.879 129.7 -61.5 58.5 36.6 -8.7 18.9 -4.4 151 201 A D T 3 S+ 0 0 96 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.652 117.4 107.8 61.5 21.8 -11.6 17.1 -6.2 152 202 A K E < - K 0 149F 80 -3,-1.6 -3,-2.4 0, 0.0 2,-0.4 -0.938 68.1-123.7-128.4 148.6 -12.9 20.4 -7.7 153 203 A N E + K 0 148F 73 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.782 35.4 172.7 -93.0 132.7 -12.8 21.8 -11.2 154 204 A Y E - K 0 147F 13 -7,-3.2 -7,-1.9 -2,-0.4 2,-0.3 -0.853 20.5-154.6-130.9 165.6 -11.2 25.2 -11.8 155 205 A C E -JK 122 146F 0 -33,-1.7 -33,-3.3 -2,-0.3 2,-0.6 -0.976 6.0-154.1-139.6 133.4 -10.2 27.5 -14.6 156 206 A I E -JK 121 145F 7 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.8 -0.944 11.7-159.5-104.3 116.0 -7.4 30.1 -14.6 157 207 A D E +JK 120 144F 3 -37,-2.8 -37,-2.5 -2,-0.6 -13,-0.2 -0.846 23.1 163.4 -95.3 105.1 -8.2 32.8 -17.1 158 208 A A + 0 0 0 -15,-3.0 4,-0.2 -2,-0.8 -14,-0.2 0.063 40.3 113.7-104.0 23.4 -5.0 34.7 -18.0 159 209 A T + 0 0 11 -16,-0.2 -1,-0.1 -39,-0.1 -18,-0.1 0.928 50.8 86.3 -64.6 -47.3 -6.5 36.3 -21.2 160 210 A E S S- 0 0 60 -3,-0.2 2,-1.9 1,-0.1 5,-0.1 -0.243 88.8-120.7 -56.2 139.6 -6.4 39.9 -20.0 161 211 A E + 0 0 62 3,-0.0 2,-0.5 4,-0.0 -1,-0.1 -0.567 52.6 158.1 -86.7 75.6 -2.9 41.4 -20.8 162 212 A C > - 0 0 56 -2,-1.9 3,-2.2 -4,-0.2 4,-0.4 -0.910 42.8-143.5-105.5 123.6 -2.0 42.2 -17.2 163 213 A L G > S+ 0 0 56 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.846 98.4 68.0 -50.5 -38.8 1.6 42.6 -16.4 164 214 A E G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 -45,-0.1 0.728 87.9 67.9 -57.0 -24.6 1.0 41.0 -13.0 165 215 A F G X S- 0 0 23 -3,-2.2 -47,-0.7 1,-0.2 3,-0.5 0.779 91.7-156.6 -69.9 -24.6 0.3 37.7 -14.7 166 216 A G T < - 0 0 15 -3,-1.7 3,-0.4 -4,-0.4 -1,-0.2 -0.282 37.6 -58.2 76.9-169.6 3.9 37.3 -15.9 167 217 A P T > S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.386 103.9 99.0 -98.1 4.0 5.1 35.2 -18.8 168 218 A G G X S+ 0 0 1 -3,-0.5 3,-1.5 -52,-0.3 -51,-0.1 0.889 80.0 56.4 -54.0 -45.2 3.7 31.8 -17.7 169 219 A R G 3 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.3 -11,-0.1 0.606 99.9 61.2 -64.7 -17.5 0.7 32.2 -19.9 170 220 A L G < S+ 0 0 16 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.417 71.0 125.4 -91.3 -3.1 2.9 32.7 -23.0 171 221 A I < - 0 0 5 -3,-1.5 37,-0.1 -4,-0.2 -70,-0.1 -0.393 59.1-126.1 -64.5 127.0 4.6 29.3 -22.9 172 222 A N E -g 208 0E 54 35,-0.6 37,-1.9 -2,-0.2 2,-0.3 -0.203 23.3-105.4 -71.7 166.5 4.3 27.4 -26.2 173 223 A H E +g 209 0E 103 35,-0.2 2,-0.3 37,-0.1 37,-0.2 -0.706 37.7 161.5-100.8 139.4 3.0 23.9 -26.5 174 224 A S - 0 0 19 35,-1.8 38,-0.1 -2,-0.3 34,-0.0 -0.848 19.0-179.0-154.4 124.7 4.8 20.6 -27.2 175 225 A R S S+ 0 0 200 -2,-0.3 35,-0.1 2,-0.1 -1,-0.1 0.778 92.2 44.1 -82.4 -29.9 3.7 17.0 -26.7 176 226 A K S S+ 0 0 181 1,-0.2 -1,-0.1 0, 0.0 34,-0.1 0.833 127.1 22.0 -84.9 -35.9 7.0 15.6 -28.0 177 227 A N S S+ 0 0 97 32,-0.1 -1,-0.2 -4,-0.0 -2,-0.1 -0.085 73.4 154.6-131.2 40.9 9.5 17.8 -26.3 178 228 A P - 0 0 24 0, 0.0 31,-0.2 0, 0.0 3,-0.1 -0.347 19.4-173.3 -68.1 150.7 8.0 19.5 -23.2 179 229 A N + 0 0 1 29,-2.6 19,-2.7 1,-0.1 20,-0.6 0.385 64.4 50.3-124.0 3.6 10.5 20.5 -20.5 180 230 A I E -Hi 197 209E 2 28,-1.5 30,-0.5 17,-0.3 2,-0.3 -0.919 58.3-167.3-133.8 159.7 8.1 21.6 -17.8 181 231 A I E -H 196 0E 62 15,-2.2 15,-2.4 -2,-0.3 2,-0.2 -0.907 23.5-108.3-135.8 167.0 5.1 20.2 -16.0 182 232 A T E +H 195 0E 20 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.620 27.4 177.6-102.6 157.2 2.4 21.6 -13.7 183 233 A K E -H 194 0E 76 11,-2.1 11,-2.3 -2,-0.2 2,-0.4 -0.938 15.8-142.4-145.1 160.9 1.8 21.2 -10.0 184 234 A V E -H 193 0E 28 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.993 8.4-168.4-130.0 138.4 -0.8 22.7 -7.6 185 235 A L E -H 192 0E 19 7,-1.9 7,-2.2 -2,-0.4 2,-0.7 -0.999 20.2-138.2-118.5 132.2 -0.6 23.8 -4.0 186 236 A M E +H 191 0E 64 -2,-0.4 2,-0.4 5,-0.2 -2,-0.0 -0.814 31.6 175.1 -83.7 117.6 -3.7 24.6 -2.1 187 237 A I E > -H 190 0E 5 3,-2.4 3,-1.7 -2,-0.7 -2,-0.1 -0.998 66.6 -14.3-129.6 122.3 -2.7 27.7 -0.1 188 238 A E T 3 S- 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.883 128.5 -54.4 50.0 43.7 -5.3 29.5 2.0 189 239 A N T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.434 119.0 104.5 79.4 5.8 -8.1 27.6 0.3 190 240 A T E < S- H 0 187E 59 -3,-1.7 -3,-2.4 -5,-0.0 2,-0.2 -0.949 70.9-124.3-126.3 124.3 -7.1 28.6 -3.2 191 241 A P E - H 0 186E 5 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.568 21.2-160.3 -70.4 137.6 -5.3 26.4 -5.7 192 242 A R E - H 0 185E 53 -7,-2.2 -7,-1.9 -2,-0.2 2,-0.4 -0.990 7.7-154.4-118.7 119.1 -2.1 27.9 -7.0 193 243 A L E + H 0 184E 0 -2,-0.5 -76,-3.3 -76,-0.4 2,-0.3 -0.789 22.2 164.5-102.1 132.3 -0.9 26.4 -10.3 194 244 A F E -FH 116 183E 1 -11,-2.3 -11,-2.1 -2,-0.4 2,-0.4 -0.958 32.0-117.9-147.8 160.4 2.8 26.5 -11.2 195 245 A F E -FH 115 182E 0 -80,-3.1 -81,-3.1 -2,-0.3 -80,-0.6 -0.767 22.2-175.2 -99.0 140.3 5.4 25.1 -13.5 196 246 A V E -FH 113 181E 0 -15,-2.4 -15,-2.2 -2,-0.4 -83,-0.2 -0.964 32.7-103.9-127.4 153.0 8.4 23.0 -12.4 197 247 A S E - H 0 180E 0 -85,-1.6 -86,-1.8 -88,-0.3 -17,-0.3 -0.476 13.3-152.2 -75.8 145.1 11.2 21.9 -14.7 198 248 A K S S- 0 0 94 -19,-2.7 2,-0.3 -88,-0.2 -18,-0.1 0.592 79.5 -14.1 -87.0 -14.3 11.4 18.2 -15.8 199 249 A R S S- 0 0 100 -20,-0.6 2,-0.3 -90,-0.1 -1,-0.2 -0.949 101.8 -47.0-167.5 176.5 15.1 18.4 -16.2 200 250 A D - 0 0 78 -2,-0.3 2,-0.5 -91,-0.1 -91,-0.2 -0.504 52.1-160.2 -59.4 122.9 18.0 20.9 -16.4 201 251 A I B -E 108 0D 0 -93,-3.1 -93,-2.8 -2,-0.3 2,-0.1 -0.971 15.6-136.8-106.7 121.1 16.9 23.5 -18.9 202 252 A I > - 0 0 104 -2,-0.5 3,-1.8 -95,-0.2 -98,-0.4 -0.377 30.3 -80.4 -82.3 159.5 19.9 25.4 -20.2 203 253 A C T 3 S+ 0 0 20 1,-0.2 -98,-0.2 -98,-0.1 -1,-0.1 -0.300 117.2 19.3 -52.3 132.8 20.3 29.1 -20.7 204 254 A G T 3 S+ 0 0 25 -100,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.116 92.5 130.0 88.9 -19.9 18.6 30.3 -24.0 205 255 A E < - 0 0 51 -3,-1.8 -101,-2.5 -102,-0.1 -1,-0.3 -0.412 61.7-113.2 -75.5 141.4 16.5 27.2 -24.3 206 256 A E B -D 103 0C 57 -103,-0.2 2,-0.4 -2,-0.1 -103,-0.3 -0.447 23.8-123.5 -71.9 142.8 12.7 27.6 -24.9 207 257 A L - 0 0 0 -105,-3.5 -35,-0.6 -2,-0.1 -105,-0.4 -0.762 34.6-174.5 -84.7 133.2 10.3 26.6 -22.2 208 258 A L E -g 172 0E 33 -2,-0.4 -29,-2.6 -37,-0.1 -28,-1.5 -0.987 9.4-172.8-134.5 143.0 7.8 24.1 -23.5 209 259 A F E -gi 173 180E 7 -37,-1.9 -35,-1.8 -2,-0.4 2,-1.0 -0.989 26.7-128.5-136.6 138.2 4.7 22.5 -21.9 210 260 A D > - 0 0 34 -30,-0.5 3,-0.9 -2,-0.4 -35,-0.1 -0.783 23.2-174.6 -86.7 100.2 2.4 19.8 -23.0 211 261 A Y T 3 + 0 0 78 -2,-1.0 -1,-0.1 1,-0.2 -36,-0.1 0.401 69.5 75.1 -74.6 3.8 -1.0 21.4 -22.6 212 262 A G T 3 + 0 0 55 -38,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.439 54.6 123.6 -98.7 0.8 -2.9 18.2 -23.5 213 263 A D < - 0 0 114 -3,-0.9 -38,-0.0 1,-0.2 -3,-0.0 -0.497 37.4-173.4 -69.0 113.3 -2.4 16.2 -20.3 214 264 A N + 0 0 106 -2,-0.5 -1,-0.2 -67,-0.0 -3,-0.0 0.442 47.2 107.6 -86.7 -1.5 -6.0 15.3 -19.2 215 265 A N S S- 0 0 58 1,-0.1 -67,-0.2 -68,-0.0 -2,-0.0 -0.355 76.9 -92.8 -80.9 157.2 -5.0 13.7 -15.8 216 266 A P 0 0 105 0, 0.0 -67,-0.1 0, 0.0 -1,-0.1 -0.305 360.0 360.0 -68.4 151.1 -5.6 15.3 -12.3 217 267 A I 0 0 79 -69,-1.6 -68,-0.2 -34,-0.1 -33,-0.1 0.679 360.0 360.0-111.1 360.0 -2.9 17.4 -10.6