==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-MAY-03 1PC3 . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.K.VYAS,M.N.VYAS,F.A.QUIOCHO . 666 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 9.3 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 . 2 0.3 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 . 1 0.2 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 . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 0 5 1 1 4 0 4 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 2 2 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 . 4 4 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 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 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 19 A V 0 0 82 0, 0.0 2,-0.6 0, 0.0 328,-0.1 0.000 360.0 360.0 360.0 131.7 64.7 12.8 8.5 2 20 A A + 0 0 24 1,-0.1 294,-0.3 326,-0.1 0, 0.0 -0.671 360.0 179.2 -81.3 119.5 62.4 14.0 5.7 3 21 A T + 0 0 80 -2,-0.6 -1,-0.1 293,-0.1 287,-0.0 0.379 63.9 66.7-100.4 5.0 63.3 12.4 2.4 4 22 A T S S- 0 0 81 285,-0.1 289,-0.2 0, 0.0 288,-0.1 -0.991 78.2-129.1-130.6 131.1 60.5 14.1 0.5 5 23 A P - 0 0 9 0, 0.0 285,-0.1 0, 0.0 282,-0.1 -0.278 35.3 -95.4 -70.9 157.5 60.2 17.8 -0.3 6 24 A A - 0 0 14 280,-0.5 4,-0.1 1,-0.1 31,-0.1 -0.340 31.4-127.7 -66.3 159.1 57.0 19.8 0.4 7 25 A S S S+ 0 0 114 2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.704 83.2 88.0 -85.0 -19.8 54.8 20.0 -2.7 8 26 A S S S- 0 0 52 1,-0.1 -2,-0.1 30,-0.0 2,-0.1 -0.427 98.7 -82.9 -76.7 153.3 54.4 23.8 -2.7 9 27 A P + 0 0 115 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.352 55.7 178.1 -60.2 130.8 57.0 25.9 -4.5 10 28 A V E -a 38 0A 8 27,-2.0 29,-3.3 -4,-0.1 2,-0.5 -0.993 18.7-152.4-135.8 141.5 60.1 26.4 -2.3 11 29 A T E -a 39 0A 80 -2,-0.3 2,-0.6 27,-0.2 29,-0.2 -0.968 4.5-162.0-116.8 124.4 63.3 28.2 -3.0 12 30 A L E -a 40 0A 2 27,-3.4 29,-2.4 -2,-0.5 2,-0.5 -0.934 11.9-156.8-106.3 117.5 66.5 27.2 -1.2 13 31 A A E -a 41 0A 24 -2,-0.6 48,-2.3 27,-0.2 47,-1.4 -0.832 11.8-175.2 -98.8 132.8 69.2 29.9 -1.4 14 32 A E E +b 61 0B 1 27,-2.4 2,-0.3 -2,-0.5 48,-0.2 -0.910 8.7 164.3-125.1 151.3 72.8 29.0 -1.0 15 33 A T E +b 62 0B 0 46,-1.8 48,-2.6 -2,-0.3 2,-0.4 -0.969 32.4 55.1-160.2 151.5 76.0 31.1 -0.8 16 34 A G E +bc 63 44B 0 27,-1.6 30,-2.1 -2,-0.3 29,-2.0 -0.979 62.3 65.1 137.3-143.0 79.6 30.6 0.2 17 35 A S > - 0 0 0 46,-2.7 4,-1.4 -2,-0.4 47,-0.1 0.134 44.9-158.7 -27.9 114.6 82.6 28.4 -0.5 18 36 A T T 4 S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.801 94.6 64.5 -70.8 -22.6 83.8 28.8 -4.0 19 37 A L T 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.937 109.8 35.5 -63.5 -43.4 85.4 25.4 -3.5 20 38 A L T >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.1 3,-0.7 0.675 97.4 89.2 -83.0 -18.4 82.0 23.8 -3.1 21 39 A Y H 3X S+ 0 0 76 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.864 80.9 54.1 -47.5 -52.7 80.3 26.1 -5.7 22 40 A P H 34 S+ 0 0 31 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.880 111.0 47.9 -53.9 -38.9 81.0 23.9 -8.9 23 41 A L H X> S+ 0 0 0 -3,-0.7 4,-2.8 -4,-0.3 3,-2.0 0.901 105.9 56.0 -70.7 -39.6 79.4 21.0 -7.2 24 42 A F H 3X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.776 100.0 62.3 -63.6 -22.1 76.3 23.0 -6.1 25 43 A N H 3< S+ 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.626 110.9 38.3 -76.6 -12.0 75.9 23.8 -9.8 26 44 A L H <> S+ 0 0 53 -3,-2.0 4,-1.9 -4,-0.3 -2,-0.2 0.812 117.3 47.3 -99.6 -49.4 75.4 20.1 -10.5 27 45 A W H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.927 106.9 59.6 -56.3 -49.6 73.4 19.2 -7.4 28 46 A G H X S+ 0 0 5 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.883 109.6 39.4 -47.7 -52.9 71.1 22.2 -7.9 29 47 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.881 114.3 54.2 -68.6 -38.3 69.8 21.3 -11.3 30 48 A A H X S+ 0 0 32 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.953 111.3 43.7 -61.2 -50.5 69.6 17.5 -10.6 31 49 A F H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.881 114.4 51.1 -63.1 -38.6 67.4 18.0 -7.6 32 50 A H H < S+ 0 0 81 -4,-1.7 6,-0.2 -5,-0.3 -1,-0.2 0.899 105.2 55.7 -65.9 -41.1 65.3 20.5 -9.4 33 51 A E H < S+ 0 0 160 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.5 43.8 -56.7 -39.6 64.8 18.2 -12.3 34 52 A R H < S+ 0 0 167 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.853 128.6 26.1 -74.6 -39.2 63.5 15.6 -9.8 35 53 A Y S >< S- 0 0 42 -4,-2.2 3,-2.4 -5,-0.2 -1,-0.3 -0.755 70.0-174.2-130.0 83.9 61.3 18.0 -7.9 36 54 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.660 79.6 67.0 -51.2 -23.4 60.3 20.9 -10.3 37 55 A N T 3 S+ 0 0 44 -31,-0.1 -27,-2.0 -28,-0.1 2,-0.6 0.582 87.6 81.5 -79.0 -7.6 58.6 22.8 -7.5 38 56 A V E < -a 10 0A 0 -3,-2.4 2,-0.5 -6,-0.2 -27,-0.2 -0.874 63.5-161.8-104.6 122.9 61.9 23.3 -5.7 39 57 A T E -a 11 0A 59 -29,-3.3 -27,-3.4 -2,-0.6 2,-0.5 -0.888 3.9-167.8-105.5 126.9 64.3 26.2 -6.8 40 58 A I E -a 12 0A 28 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.944 5.6-177.1-112.5 126.1 67.9 26.1 -5.7 41 59 A T E -a 13 0A 70 -29,-2.4 -27,-2.4 -2,-0.5 2,-0.3 -0.947 4.8-179.4-122.4 147.0 70.1 29.2 -6.2 42 60 A A - 0 0 29 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.979 10.0-169.9-144.3 156.2 73.9 29.4 -5.4 43 61 A Q - 0 0 87 -2,-0.3 -27,-1.6 -29,-0.2 2,-1.0 -0.994 25.3-127.5-149.1 139.8 76.7 31.8 -5.5 44 62 A G B +c 16 0B 37 -2,-0.3 -27,-0.2 -29,-0.2 -26,-0.1 -0.773 53.0 135.1 -89.7 103.2 80.5 31.6 -5.1 45 63 A T - 0 0 48 -29,-2.0 4,-0.4 -2,-1.0 -28,-0.2 0.350 65.9 -95.4-128.5 -0.1 81.4 34.2 -2.4 46 64 A G > - 0 0 0 -30,-2.1 4,-1.8 -3,-0.1 3,-0.3 0.110 38.9 -83.3 96.0 149.5 83.8 32.4 -0.1 47 65 A S H > S+ 0 0 0 -31,-0.3 4,-2.8 1,-0.2 5,-0.3 0.840 122.4 64.6 -56.5 -37.3 83.3 30.5 3.1 48 66 A G H > S+ 0 0 20 99,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.947 106.1 41.1 -52.5 -55.1 83.4 33.7 5.2 49 67 A A H > S+ 0 0 28 98,-0.5 4,-3.4 -4,-0.4 5,-0.4 0.896 111.7 60.3 -60.5 -38.1 80.2 35.1 3.5 50 68 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 13,-0.3 -2,-0.2 0.936 110.8 37.8 -54.2 -51.3 78.8 31.6 3.8 51 69 A I H X S+ 0 0 22 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.905 118.4 50.6 -67.1 -43.8 79.1 31.5 7.6 52 70 A A H X S+ 0 0 58 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.951 113.7 42.1 -61.0 -52.8 78.1 35.2 8.0 53 71 A Q H <>S+ 0 0 53 -4,-3.4 5,-1.9 2,-0.2 6,-0.8 0.854 112.5 51.9 -67.4 -36.3 75.0 35.0 5.8 54 72 A A H ><5S+ 0 0 5 -4,-1.8 3,-0.8 -5,-0.4 -1,-0.2 0.914 112.0 49.0 -65.9 -38.6 73.7 31.7 7.2 55 73 A A H 3<5S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.830 110.1 50.7 -67.6 -33.0 74.1 33.2 10.7 56 74 A A T 3<5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.508 114.2-118.1 -83.0 -4.4 72.3 36.4 9.7 57 75 A G T < 5S+ 0 0 61 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.576 77.8 128.2 78.9 8.3 69.4 34.3 8.3 58 76 A T S - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.293 26.6-107.1 -70.9 163.0 84.5 27.7 15.9 70 88 A E H > S+ 0 0 181 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.799 125.1 53.9 -60.9 -26.5 83.4 27.1 19.5 71 89 A G H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 105.2 50.6 -74.1 -42.4 82.9 30.8 19.5 72 90 A D H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.905 110.5 50.3 -61.4 -42.6 80.7 30.8 16.4 73 91 A M H < S+ 0 0 65 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.907 111.2 48.5 -62.6 -41.7 78.5 28.1 18.0 74 92 A A H < S+ 0 0 73 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.850 112.5 48.5 -67.9 -34.6 78.2 30.0 21.2 75 93 A A H < S+ 0 0 71 -4,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.780 118.9 36.3 -77.7 -29.2 77.2 33.3 19.4 76 94 A H S >< S- 0 0 72 -4,-1.9 3,-1.8 -5,-0.2 -1,-0.2 -0.742 78.4-160.4-128.3 85.7 74.6 31.7 17.2 77 95 A K T 3 S+ 0 0 184 -2,-0.4 3,-0.1 -3,-0.3 -3,-0.1 -0.365 79.2 32.9 -64.2 140.4 72.7 29.0 18.9 78 96 A G T 3 S+ 0 0 27 1,-0.3 202,-3.3 -5,-0.1 2,-0.4 0.222 90.1 119.0 97.9 -15.3 70.9 26.7 16.5 79 97 A L E < +E 279 0B 8 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.3 -0.724 37.3 166.5 -88.4 130.0 73.6 27.1 13.9 80 98 A M E -E 278 0B 27 198,-2.1 198,-2.0 -2,-0.4 2,-0.6 -0.936 33.4-126.4-139.9 161.3 75.4 23.9 12.9 81 99 A N E -E 277 0B 2 173,-0.4 2,-0.6 -2,-0.3 196,-0.2 -0.942 21.8-163.8-112.6 119.6 77.8 22.5 10.3 82 100 A I E -E 276 0B 0 194,-2.7 194,-2.2 -2,-0.6 2,-0.1 -0.896 19.7-126.2-108.2 125.3 76.8 19.4 8.4 83 101 A A E +E 275 0B 0 -2,-0.6 192,-0.2 192,-0.2 3,-0.1 -0.395 30.3 171.9 -65.2 139.1 79.4 17.5 6.4 84 102 A L E - 0 0 2 190,-2.7 232,-0.3 1,-0.5 2,-0.3 0.621 60.3 -25.6-121.6 -26.1 78.4 16.8 2.8 85 103 A A E -E 274 0B 0 189,-0.7 189,-2.6 230,-0.1 -1,-0.5 -0.952 65.2 -95.8-173.3 175.6 81.5 15.3 1.1 86 104 A I E +EF 273 314B 2 228,-2.6 228,-2.3 -2,-0.3 187,-0.2 -0.937 43.2 165.4-113.1 132.9 85.2 15.3 1.4 87 105 A S E -E 272 0B 0 185,-3.1 185,-2.0 -2,-0.5 2,-0.3 -0.611 15.1-151.4-128.9-169.7 87.4 17.6 -0.6 88 106 A A E -E 271 0B 4 183,-0.3 121,-2.4 -2,-0.2 2,-0.4 -0.942 10.4-123.1-157.1 176.6 91.1 18.8 -0.6 89 107 A Q E -G 208 0C 1 181,-1.6 2,-0.3 -2,-0.3 181,-0.2 -0.972 17.4-162.3-131.2 143.3 93.4 21.6 -1.4 90 108 A Q E -G 207 0C 0 117,-2.6 117,-2.4 -2,-0.4 2,-0.6 -0.780 20.1-125.2-119.6 167.1 96.5 21.7 -3.6 91 109 A V E -G 206 0C 2 132,-0.3 132,-2.6 -2,-0.3 2,-0.3 -0.971 29.5-169.0-113.7 115.7 99.4 24.2 -3.9 92 110 A N E -GH 205 222C 0 113,-2.7 113,-2.4 -2,-0.6 2,-0.3 -0.744 4.7-176.2-102.6 154.5 99.9 25.5 -7.4 93 111 A Y E -GH 204 221C 1 128,-1.3 128,-3.0 -2,-0.3 2,-0.8 -0.985 26.8-125.3-148.6 156.9 102.9 27.5 -8.6 94 112 A N + 0 0 15 109,-2.0 108,-3.7 -2,-0.3 109,-0.2 -0.795 49.0 137.4-109.3 91.8 104.0 29.3 -11.7 95 113 A L > - 0 0 9 -2,-0.8 3,-1.9 124,-0.2 -2,-0.0 -0.733 38.4-154.1-132.4 83.4 107.4 28.0 -12.9 96 114 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.303 80.4 27.1 -59.5 139.5 107.5 27.6 -16.6 97 115 A G T 3 S+ 0 0 81 1,-0.2 2,-1.1 2,-0.0 0, 0.0 0.197 89.0 112.8 96.0 -18.7 110.0 25.0 -17.7 98 116 A V < + 0 0 22 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.2 -0.760 40.2 178.6 -92.7 95.6 110.0 23.0 -14.5 99 117 A S + 0 0 117 -2,-1.1 -1,-0.2 -3,-0.1 -2,-0.0 0.838 49.8 90.0 -63.4 -39.4 108.4 19.7 -15.5 100 118 A E S S- 0 0 87 1,-0.1 2,-1.2 121,-0.1 122,-0.1 -0.107 83.3-116.1 -64.4 157.2 108.6 18.1 -12.0 101 119 A H - 0 0 83 120,-0.1 122,-0.1 122,-0.1 123,-0.1 -0.830 44.8-134.1 -90.2 97.3 105.9 18.1 -9.3 102 120 A L - 0 0 0 -2,-1.2 122,-2.6 -4,-0.1 2,-0.5 -0.203 11.5-124.3 -56.5 145.1 108.1 20.0 -6.8 103 121 A K E +j 224 0D 58 120,-0.2 2,-0.3 22,-0.2 122,-0.2 -0.808 39.8 160.5 -95.9 131.2 108.1 18.7 -3.3 104 122 A L E -j 225 0D 0 120,-2.5 122,-2.3 -2,-0.5 2,-0.3 -0.934 17.1-165.3-141.7 162.7 107.1 21.1 -0.5 105 123 A N > - 0 0 34 -2,-0.3 4,-2.1 120,-0.2 5,-0.2 -0.829 42.3 -90.6-140.0-179.5 106.0 20.8 3.1 106 124 A G H > S+ 0 0 0 120,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.815 121.3 55.8 -66.2 -31.2 104.4 23.1 5.7 107 125 A K H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.926 112.0 41.6 -67.0 -45.6 107.7 24.2 7.1 108 126 A V H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.871 115.0 51.2 -71.4 -35.8 109.0 25.4 3.7 109 127 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.858 106.9 53.4 -69.5 -35.6 105.7 27.0 2.8 110 128 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.924 107.4 52.2 -64.9 -40.4 105.5 28.9 6.1 111 129 A A H X>S+ 0 0 6 -4,-1.6 5,-1.9 2,-0.2 6,-1.4 0.890 109.1 50.3 -61.1 -40.4 109.0 30.3 5.3 112 130 A M H ><5S+ 0 0 2 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.935 112.7 45.2 -63.3 -46.6 107.8 31.5 1.9 113 131 A Y H 3<5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.641 112.7 52.4 -73.9 -11.7 104.8 33.2 3.3 114 132 A Q H 3<5S- 0 0 65 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.481 114.0-116.5 -99.0 -6.3 106.9 34.7 6.1 115 133 A G T <<5S+ 0 0 22 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.525 86.1 112.5 86.2 4.8 109.4 36.1 3.6 116 134 A T S S-L 138 0E 45 19,-0.3 3,-1.5 1,-0.0 19,-0.2 -0.954 74.9-121.0-136.0 154.9 113.7 32.7 -4.4 120 138 A W T 3 S+ 0 0 0 17,-2.8 16,-0.2 -2,-0.3 18,-0.1 0.568 110.8 56.7 -72.6 -7.4 112.8 29.3 -5.9 121 139 A D T 3 S+ 0 0 75 16,-0.2 -1,-0.3 13,-0.1 15,-0.1 0.143 76.6 143.1-106.6 19.0 116.3 28.0 -5.8 122 140 A D X> - 0 0 26 -3,-1.5 4,-2.2 1,-0.1 3,-1.7 -0.238 64.6-113.1 -56.3 144.0 116.6 28.6 -2.0 123 141 A P H 3> S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.864 115.7 58.3 -48.5 -42.9 118.6 25.9 -0.2 124 142 A Q H 3> S+ 0 0 87 1,-0.2 4,-0.5 2,-0.2 -16,-0.1 0.772 110.9 43.1 -61.2 -26.1 115.5 24.6 1.7 125 143 A I H X> S+ 0 0 0 -3,-1.7 4,-0.9 2,-0.2 3,-0.5 0.873 112.2 51.0 -85.8 -41.2 113.8 23.9 -1.7 126 144 A A H 3< S+ 0 0 43 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.851 103.4 61.1 -64.2 -33.2 116.8 22.4 -3.4 127 145 A A H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.846 108.3 43.2 -63.2 -32.2 117.3 20.0 -0.4 128 146 A L H << S+ 0 0 36 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.613 118.7 45.1 -87.3 -13.8 113.8 18.5 -1.0 129 147 A N S >< S- 0 0 7 -4,-0.9 3,-1.6 -3,-0.5 -1,-0.2 -0.465 75.4-173.3-132.4 64.7 114.2 18.4 -4.8 130 148 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.232 72.1 18.5 -57.8 139.1 117.6 16.9 -5.7 131 149 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -5,-0.1 -5,-0.0 0.236 92.5 120.5 86.0 -17.3 118.5 17.0 -9.4 132 150 A V < - 0 0 26 -3,-1.6 2,-1.2 -6,-0.2 -1,-0.3 -0.665 65.3-130.3 -84.5 135.8 115.9 19.6 -10.3 133 151 A N - 0 0 151 -2,-0.3 -1,-0.1 -3,-0.1 -12,-0.0 -0.737 29.5-163.6 -86.2 96.9 117.2 22.7 -11.9 134 152 A L - 0 0 24 -2,-1.2 -13,-0.1 -5,-0.1 -8,-0.0 -0.713 11.8-130.8 -86.6 129.6 115.5 25.4 -9.8 135 153 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -15,-0.0 -0.216 17.1-118.8 -72.6 164.7 115.4 29.0 -11.2 136 154 A G + 0 0 51 -16,-0.2 -2,-0.0 -17,-0.1 0, 0.0 0.218 63.1 146.1 -88.8 17.3 116.3 32.0 -9.2 137 155 A T - 0 0 47 -18,-0.1 -17,-2.8 1,-0.1 -16,-0.2 -0.214 54.2-109.8 -56.1 140.4 112.8 33.4 -9.7 138 156 A A B -L 119 0E 60 -19,-0.2 2,-0.3 63,-0.1 -19,-0.3 -0.436 30.3-117.3 -72.9 145.1 111.5 35.4 -6.8 139 157 A V - 0 0 11 -21,-2.1 64,-0.2 -2,-0.1 -1,-0.1 -0.663 23.3-166.2 -85.2 139.4 108.7 33.8 -4.8 140 158 A V E -i 203 0C 23 62,-2.0 64,-2.2 -2,-0.3 2,-1.0 -0.875 9.5-155.5-127.0 95.4 105.3 35.7 -4.8 141 159 A P E -i 204 0C 3 0, 0.0 44,-0.4 0, 0.0 2,-0.2 -0.605 14.2-163.5 -77.4 101.8 103.2 34.3 -2.0 142 160 A L - 0 0 3 62,-2.2 64,-0.4 -2,-1.0 2,-0.3 -0.544 8.6-176.5 -86.2 151.1 99.6 34.9 -2.9 143 161 A H E -m 186 0F 31 42,-2.4 44,-2.4 -2,-0.2 2,-0.2 -0.959 33.3 -90.9-143.9 157.4 96.7 34.8 -0.5 144 162 A R E -m 187 0F 10 -2,-0.3 44,-0.2 42,-0.3 4,-0.1 -0.489 22.6-158.1 -71.1 136.0 92.9 35.1 -0.6 145 163 A S S S+ 0 0 75 42,-3.0 2,-0.2 -2,-0.2 43,-0.2 0.775 74.5 66.3 -85.0 -27.4 91.5 38.6 -0.1 146 164 A D S S- 0 0 27 41,-0.6 -99,-0.1 1,-0.1 2,-0.1 -0.620 106.4 -83.4 -95.6 154.1 88.0 37.4 0.9 147 165 A G - 0 0 18 -2,-0.2 -99,-1.6 -101,-0.1 -98,-0.5 -0.380 67.3-172.7 -54.3 121.3 87.1 35.4 4.1 148 166 A S > - 0 0 0 26,-2.8 4,-1.7 -101,-0.2 25,-0.1 -0.966 46.5-151.3-137.0 141.3 88.0 31.9 2.8 149 167 A G H > S+ 0 0 1 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.866 105.7 57.7 -67.8 -36.2 87.7 28.2 3.7 150 168 A D H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.885 104.2 52.3 -62.5 -36.0 90.8 27.6 1.7 151 169 A T H > S+ 0 0 2 2,-0.2 4,-2.9 23,-0.2 5,-0.2 0.942 108.8 50.3 -63.4 -44.7 92.7 30.1 3.8 152 170 A F H X S+ 0 0 19 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.951 114.2 44.6 -56.7 -50.5 91.5 28.2 6.9 153 171 A L H X S+ 0 0 4 -4,-2.8 4,-1.7 2,-0.2 3,-0.3 0.924 115.2 46.9 -61.9 -46.9 92.7 24.9 5.5 154 172 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.962 113.1 47.7 -60.6 -52.5 96.1 26.2 4.2 155 173 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.680 107.9 56.1 -65.4 -18.5 96.9 28.0 7.5 156 174 A Q H X S+ 0 0 12 -4,-1.3 4,-2.8 -3,-0.3 -1,-0.2 0.870 107.0 49.8 -78.8 -37.4 96.0 25.0 9.6 157 175 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.953 113.9 45.3 -61.1 -49.4 98.5 22.9 7.6 158 176 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 9,-0.4 0.880 114.5 49.4 -61.3 -40.5 101.2 25.6 8.1 159 177 A S H < S+ 0 0 14 -4,-1.7 8,-0.2 7,-0.2 -2,-0.2 0.885 112.1 47.2 -69.6 -38.0 100.2 25.8 11.8 160 178 A K H < S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 118.2 40.0 -71.3 -38.3 100.4 22.1 12.4 161 179 A Q H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.731 124.3 37.8 -84.9 -21.0 103.7 21.6 10.6 162 180 A D ><> + 0 0 27 -4,-1.7 5,-2.9 -5,-0.2 3,-1.3 -0.471 68.7 159.6-127.0 61.1 105.3 24.8 12.1 163 181 A P T 3 5S+ 0 0 72 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.832 76.1 45.1 -50.6 -42.5 103.9 24.9 15.6 164 182 A E T 3 5S+ 0 0 140 3,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.582 126.2 26.6 -83.2 -10.3 106.6 27.2 17.0 165 183 A G T X>5S+ 0 0 23 -3,-1.3 4,-1.7 -7,-0.2 3,-1.5 0.508 134.9 12.2-112.3 -98.9 106.5 29.6 14.1 166 184 A W T 34>S+ 0 0 0 1,-0.3 5,-2.3 2,-0.2 -7,-0.2 0.871 122.0 66.7 -50.4 -39.9 103.4 30.1 12.0 167 185 A G T 34 - 0 0 28 -2,-2.1 3,-2.3 -68,-0.2 2,-0.1 -0.705 62.4 -72.0-110.9 163.7 106.3 40.6 2.8 182 200 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.339 123.3 16.3 -56.3 124.5 107.1 41.5 -0.8 183 201 A G T 3 S+ 0 0 23 1,-0.2 2,-2.3 -43,-0.2 -3,-0.0 0.499 77.3 141.4 93.5 1.3 104.5 39.8 -3.0 184 202 A A < + 0 0 28 -3,-2.3 2,-0.3 -42,-0.1 -1,-0.2 -0.523 33.8 164.1 -77.7 77.3 102.0 39.2 -0.2 185 203 A L - 0 0 95 -2,-2.3 -42,-2.4 -44,-0.4 2,-0.4 -0.742 33.4-128.5-102.2 146.2 99.1 40.0 -2.6 186 204 A G E -m 143 0F 37 -2,-0.3 2,-0.4 -44,-0.2 -42,-0.3 -0.771 20.2-172.4 -99.9 138.0 95.4 39.3 -2.2 187 205 A E E -m 144 0F 46 -44,-2.4 -42,-3.0 -2,-0.4 -41,-0.6 -0.949 24.2-120.5-124.8 146.2 93.2 37.6 -4.7 188 206 A N > - 0 0 109 -2,-0.4 4,-1.3 -44,-0.2 5,-0.1 -0.736 69.1 -23.7 -90.5 127.9 89.4 37.1 -4.6 189 207 A G H > S- 0 0 5 -2,-0.5 4,-1.5 3,-0.2 5,-0.1 0.287 88.7 -70.0 60.8 168.7 88.0 33.6 -4.7 190 208 A N H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 133.7 57.3 -60.8 -38.0 89.7 30.4 -6.1 191 209 A G H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.953 105.5 50.2 -58.1 -48.6 89.3 31.8 -9.6 192 210 A G H X S+ 0 0 20 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.823 108.4 52.8 -58.6 -34.2 91.2 34.9 -8.7 193 211 A M H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.916 110.8 46.3 -68.9 -43.0 94.0 32.7 -7.2 194 212 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.972 117.3 43.9 -60.4 -55.4 94.3 30.7 -10.4 195 213 A T H X S+ 0 0 64 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.894 115.0 49.0 -55.9 -46.3 94.3 33.8 -12.6 196 214 A G H X S+ 0 0 2 -4,-2.8 4,-0.9 -5,-0.2 3,-0.3 0.936 112.0 48.0 -62.2 -45.3 96.7 35.6 -10.2 197 215 A C H < S+ 0 0 0 -4,-2.6 6,-0.4 1,-0.2 3,-0.3 0.877 111.0 49.7 -62.9 -40.6 99.1 32.7 -10.1 198 216 A A H < S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.723 99.3 71.9 -71.1 -22.7 99.2 32.2 -13.9 199 217 A E H < S+ 0 0 146 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.897 105.8 23.2 -61.0 -46.7 99.8 36.0 -14.4 200 218 A T S >< S- 0 0 59 -4,-0.9 3,-1.4 -3,-0.3 -1,-0.2 -0.976 80.5-117.2-135.5 127.5 103.4 36.1 -13.2 201 219 A P T 3 S+ 0 0 66 0, 0.0 -106,-0.2 0, 0.0 -63,-0.1 -0.266 99.5 40.9 -55.2 137.5 106.1 33.3 -13.0 202 220 A G T 3 S+ 0 0 0 -108,-3.7 -62,-2.0 1,-0.3 -107,-0.1 0.246 81.5 136.2 104.9 -10.8 107.2 32.7 -9.4 203 221 A C E < - i 0 140C 1 -3,-1.4 -109,-2.0 -6,-0.4 2,-0.4 -0.367 35.7-162.0 -71.9 149.9 103.7 32.9 -7.8 204 222 A V E +Gi 93 141C 0 -64,-2.2 -62,-2.2 -111,-0.2 2,-0.3 -0.987 14.6 172.7-130.2 138.5 102.6 30.3 -5.2 205 223 A A E -G 92 0C 0 -113,-2.4 -113,-2.7 -2,-0.4 2,-0.5 -0.988 33.0-133.6-153.1 141.7 98.9 29.8 -4.3 206 224 A Y E +G 91 0C 0 -64,-0.4 2,-0.4 -2,-0.3 -115,-0.2 -0.828 38.6 177.0 -92.2 125.6 96.7 27.5 -2.3 207 225 A I E -G 90 0C 0 -117,-2.4 -117,-2.6 -2,-0.5 -2,-0.0 -0.998 31.0-106.4-137.7 136.2 93.8 26.5 -4.5 208 226 A G E > -G 89 0C 0 -2,-0.4 3,-2.0 -119,-0.2 -119,-0.2 -0.224 30.5-117.6 -60.2 146.4 90.8 24.2 -4.0 209 227 A I G > S+ 0 0 5 -121,-2.4 3,-1.7 1,-0.3 4,-0.4 0.724 109.5 68.2 -58.7 -25.9 90.8 20.8 -5.8 210 228 A S G 3 S+ 0 0 8 1,-0.3 -1,-0.3 -122,-0.3 4,-0.2 0.518 102.2 49.3 -73.5 -1.8 87.6 21.6 -7.8 211 229 A F G <> S+ 0 0 21 -3,-2.0 4,-2.6 2,-0.1 -1,-0.3 0.235 80.7 102.9-115.3 9.5 89.8 24.2 -9.6 212 230 A L H <> S+ 0 0 20 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.937 79.5 50.7 -57.9 -49.1 92.6 21.7 -10.2 213 231 A D H > S+ 0 0 69 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.916 111.2 48.0 -57.4 -46.2 91.6 21.2 -13.9 214 232 A Q H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 110.0 52.2 -60.2 -46.7 91.6 25.0 -14.5 215 233 A A H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.4 0.917 111.3 47.0 -56.4 -46.1 94.9 25.5 -12.8 216 234 A S H ><5S+ 0 0 63 -4,-2.4 3,-2.7 1,-0.2 -1,-0.2 0.929 107.5 55.8 -61.6 -47.6 96.5 22.8 -15.0 217 235 A Q H 3<5S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 104.1 55.3 -56.9 -27.4 95.0 24.2 -18.2 218 236 A R T 3<5S- 0 0 143 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.466 122.6-110.5 -84.3 -2.3 96.7 27.5 -17.3 219 237 A G T < 5 + 0 0 57 -3,-2.7 -124,-0.2 1,-0.2 -3,-0.2 0.723 62.9 155.8 82.2 22.8 99.9 25.6 -17.2 220 238 A L < - 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