==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 23-AUG-13 4MDY . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR C.CHANG,R.WU,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCT . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.4 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 1 2 2 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 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 PARALLEL BRIDGES PER LADDER . 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 33 A D > 0 0 102 0, 0.0 3,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.7 -11.1 28.6 -9.3 2 34 A D T 3 + 0 0 174 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.538 360.0 24.2 -67.9 138.7 -8.9 31.2 -11.1 3 35 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 0.076 102.0 119.8 88.9 -21.6 -5.6 31.4 -9.3 4 36 A S < - 0 0 30 -3,-1.2 2,-0.4 14,-0.1 -1,-0.3 -0.219 55.2-139.2 -76.3 163.7 -6.1 27.9 -7.9 5 37 A V E -A 16 0A 33 11,-2.4 11,-3.4 129,-0.1 2,-0.5 -0.969 8.3-157.8-122.6 140.4 -3.8 24.8 -8.5 6 38 A T E -A 15 0A 66 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.978 8.0-167.0-119.7 126.6 -5.0 21.3 -9.1 7 39 A V E -A 14 0A 0 7,-2.8 7,-2.5 -2,-0.5 2,-0.4 -0.888 12.8-139.1-112.8 148.5 -2.7 18.3 -8.5 8 40 A R E +A 13 0A 183 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.894 33.0 154.4-110.5 130.0 -3.3 14.7 -9.6 9 41 A H E > -A 12 0A 15 3,-3.3 3,-1.9 -2,-0.4 106,-0.3 -0.745 58.2 -69.8-143.2-173.3 -2.6 11.8 -7.3 10 42 A A T 3 S+ 0 0 44 104,-3.1 105,-0.1 1,-0.3 3,-0.1 0.717 128.6 42.6 -59.7 -25.8 -3.5 8.2 -6.5 11 43 A F T 3 S- 0 0 63 103,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.155 122.2 -92.8-110.4 17.7 -7.0 9.1 -5.3 12 44 A G E < -A 9 0A 33 -3,-1.9 -3,-3.3 2,-0.0 2,-0.3 -0.897 69.9 -18.5 115.2-140.2 -7.9 11.6 -7.9 13 45 A D E -A 8 0A 75 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.813 42.9-161.6-112.4 145.6 -7.5 15.4 -8.0 14 46 A T E -A 7 0A 7 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.5 -0.999 9.3-154.6-124.5 127.9 -6.9 18.0 -5.2 15 47 A T E -A 6 0A 67 -2,-0.4 -9,-0.2 -9,-0.2 119,-0.0 -0.904 3.0-163.7-103.6 128.0 -7.6 21.7 -5.8 16 48 A I E -A 5 0A 3 -11,-3.4 -11,-2.4 -2,-0.5 73,-0.1 -0.953 8.8-154.1-110.0 112.6 -5.7 24.2 -3.7 17 49 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.811 67.0 -28.9 -61.4 -33.2 -7.5 27.6 -3.9 18 50 A G S S- 0 0 25 116,-0.1 -13,-0.1 -14,-0.1 -14,-0.1 -0.950 96.6 -37.1-165.7 179.7 -4.3 29.6 -3.1 19 51 A P S S- 0 0 83 0, 0.0 2,-0.2 0, 0.0 116,-0.1 -0.322 71.9-117.2 -52.2 122.8 -0.9 29.5 -1.3 20 52 A P - 0 0 18 0, 0.0 3,-0.2 0, 0.0 69,-0.1 -0.433 25.8-168.8 -77.4 139.2 -1.6 27.6 1.9 21 53 A Q S S+ 0 0 157 1,-0.2 2,-0.4 -2,-0.2 0, 0.0 0.725 80.6 37.9 -93.3 -29.3 -1.2 29.3 5.3 22 54 A R S S- 0 0 106 19,-0.0 66,-2.4 2,-0.0 67,-1.4 -0.795 73.3-178.4-131.0 90.2 -1.4 26.3 7.6 23 55 A V E -b 89 0B 2 -2,-0.4 19,-2.4 17,-0.4 20,-1.0 -0.768 12.3-157.5 -98.2 127.5 0.3 23.2 6.2 24 56 A V E -bc 90 43B 0 65,-2.8 67,-3.1 -2,-0.5 2,-0.8 -0.894 7.4-151.2 -98.3 125.2 0.3 19.8 8.0 25 57 A S E +b 91 0B 0 18,-2.6 20,-0.2 -2,-0.5 46,-0.2 -0.860 21.8 172.8 -93.0 104.5 3.1 17.4 7.1 26 58 A A + 0 0 0 65,-2.9 66,-0.2 -2,-0.8 2,-0.1 0.513 50.7 66.7 -97.6 -6.8 1.4 14.0 7.7 27 59 A G S S- 0 0 0 64,-0.7 18,-0.5 50,-0.1 68,-0.3 -0.428 91.5 -94.9-108.8-172.0 4.1 11.7 6.3 28 60 A L S S+ 0 0 17 66,-2.6 20,-0.2 1,-0.2 67,-0.1 0.664 110.2 11.3 -81.5 -20.7 7.6 10.6 7.2 29 61 A T S >> S+ 0 0 6 65,-0.1 3,-1.7 18,-0.1 4,-0.6 0.458 89.1 103.4-137.4 -4.9 9.8 13.0 5.0 30 62 A E H 3> + 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.701 68.1 75.8 -63.8 -23.1 7.6 15.7 3.5 31 63 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.8 -4,-0.2 -1,-0.3 0.830 91.7 56.0 -58.1 -31.8 8.8 18.4 5.9 32 64 A D H <> S+ 0 0 0 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.866 107.0 48.2 -70.1 -35.9 12.1 18.6 3.9 33 65 A D H X S+ 0 0 2 -4,-0.6 4,-0.9 -3,-0.4 -2,-0.2 0.953 115.7 44.8 -66.3 -46.8 10.2 19.3 0.7 34 66 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.0 0.955 115.3 45.9 -60.8 -51.4 8.2 22.0 2.4 35 67 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.834 102.1 66.1 -64.3 -33.5 11.1 23.6 4.2 36 68 A A H 3<5S+ 0 0 20 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.833 109.4 38.6 -55.8 -34.9 13.3 23.5 1.1 37 69 A V T <<5S- 0 0 12 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.199 124.2 -99.4-105.2 14.3 10.9 26.1 -0.5 38 70 A G T < 5S+ 0 0 52 -3,-1.5 2,-0.7 1,-0.3 -3,-0.2 0.622 78.0 134.8 84.2 13.4 10.3 28.2 2.6 39 71 A V < - 0 0 18 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.873 41.3-157.4 -94.5 111.9 6.9 26.7 3.6 40 72 A V - 0 0 61 -2,-0.7 -17,-0.4 -3,-0.1 23,-0.0 -0.825 14.2-135.6 -93.6 114.0 7.1 26.1 7.4 41 73 A P - 0 0 3 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.293 7.3-141.6 -67.0 152.3 4.6 23.4 8.5 42 74 A I S S+ 0 0 37 -19,-2.4 27,-2.5 1,-0.2 2,-0.3 0.538 92.6 28.0 -85.0 -11.7 2.4 23.8 11.6 43 75 A A E -cd 24 69B 0 -20,-1.0 -18,-2.6 25,-0.3 2,-0.4 -0.976 66.3-167.2-148.6 140.4 2.9 20.1 12.2 44 76 A V E - d 0 70B 0 25,-2.6 27,-3.0 -2,-0.3 2,-0.6 -0.945 20.3-132.1-122.2 144.6 5.6 17.6 11.4 45 77 A T E - d 0 71B 0 -18,-0.5 27,-0.2 -2,-0.4 -14,-0.2 -0.884 24.0-131.9-100.6 123.9 5.3 13.8 11.6 46 78 A D + 0 0 49 25,-2.9 27,-0.4 -2,-0.6 3,-0.1 -0.399 29.6 170.0 -73.2 147.2 8.3 12.2 13.4 47 79 A W - 0 0 80 1,-0.4 2,-0.3 7,-0.1 -1,-0.1 0.623 55.1 -43.1-118.9 -68.3 10.0 9.1 11.9 48 80 A F S S+ 0 0 44 -20,-0.2 3,-0.4 6,-0.1 -1,-0.4 -0.964 96.4 64.2-156.8 173.2 13.2 8.3 13.8 49 81 A G S S- 0 0 23 -2,-0.3 210,-0.0 1,-0.2 -1,-0.0 0.319 88.8-105.1 93.0 -6.3 16.3 9.7 15.4 50 82 A G + 0 0 70 1,-0.2 -1,-0.2 4,-0.0 3,-0.0 0.857 61.0 168.3 54.8 40.4 14.7 11.8 18.2 51 83 A E > - 0 0 35 -3,-0.4 3,-2.2 1,-0.1 -1,-0.2 -0.550 47.2 -87.1 -82.9 150.0 15.4 15.0 16.5 52 84 A P G > S- 0 0 77 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.394 112.4 -6.4 -61.1 124.8 13.8 18.3 17.7 53 85 A F G 3 S- 0 0 57 1,-0.3 3,-0.1 -2,-0.2 -9,-0.0 0.573 119.1 -78.7 64.4 14.2 10.3 18.6 16.0 54 86 A G G < S+ 0 0 1 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.571 102.5 130.4 69.3 11.3 11.2 15.6 13.9 55 87 A V < - 0 0 0 -3,-1.7 -1,-0.2 -11,-0.1 5,-0.0 -0.870 52.3-140.0-104.2 118.9 13.3 18.0 11.8 56 88 A W >> - 0 0 0 -2,-0.6 3,-2.5 -5,-0.1 4,-0.6 -0.245 31.3 -93.6 -77.9 164.5 16.9 16.8 11.2 57 89 A P H >> S+ 0 0 61 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.776 120.2 61.5 -52.8 -34.3 19.9 19.2 11.2 58 90 A W H 34 S+ 0 0 23 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.574 112.4 37.9 -71.2 -9.7 19.9 19.9 7.5 59 91 A A H <> S+ 0 0 0 -3,-2.5 4,-1.5 2,-0.1 -1,-0.2 0.376 90.4 91.4-117.8 3.0 16.4 21.5 7.8 60 92 A Q H < S+ 0 0 4 -4,-1.5 3,-1.9 1,-0.2 -1,-0.2 0.880 84.9 165.3 -68.0 -37.9 12.6 25.8 10.5 64 96 A A T 3< - 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 -0.341 68.6 -15.0 53.9-126.2 14.3 28.6 12.4 65 97 A G T 3 S+ 0 0 62 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.377 97.8 131.7 -89.9 5.1 12.3 29.5 15.5 66 98 A A < - 0 0 31 -3,-1.9 -3,-0.0 1,-0.1 -24,-0.0 -0.235 43.5-156.7 -64.1 147.5 9.1 27.7 14.5 67 99 A Q - 0 0 148 -24,-0.0 -1,-0.1 -25,-0.0 -2,-0.1 -0.601 21.0-178.3-124.1 66.3 7.5 25.4 17.1 68 100 A P - 0 0 9 0, 0.0 -25,-0.3 0, 0.0 -26,-0.1 -0.278 33.6-102.2 -69.7 153.7 5.3 22.9 15.1 69 101 A A E -d 43 0B 37 -27,-2.5 -25,-2.6 1,-0.0 2,-0.6 -0.447 35.7-133.2 -63.7 145.4 3.2 20.2 16.6 70 102 A V E -d 44 0B 70 -27,-0.2 -25,-0.2 -2,-0.1 2,-0.2 -0.937 27.0-179.8-110.0 119.8 4.8 16.8 16.4 71 103 A L E -d 45 0B 3 -27,-3.0 -25,-2.9 -2,-0.6 2,-0.3 -0.540 6.5-162.3-104.1 173.0 2.7 13.9 15.2 72 104 A N - 0 0 77 -27,-0.2 3,-0.3 -2,-0.2 -25,-0.1 -0.974 25.0-131.0-152.6 166.1 3.5 10.2 14.7 73 105 A L > + 0 0 33 -27,-0.4 3,-2.0 -2,-0.3 4,-0.1 0.102 65.4 120.6-106.3 20.6 2.1 7.2 12.8 74 106 A D T 3 S+ 0 0 131 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.847 93.3 24.5 -52.9 -39.6 2.2 4.7 15.7 75 107 A N T 3 S- 0 0 161 1,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 -0.254 128.6 -90.3-117.9 44.1 -1.6 4.3 15.4 76 108 A G S < S- 0 0 41 -3,-2.0 -1,-0.6 2,-0.1 -4,-0.2 -0.180 82.8 -18.2 74.5-173.5 -1.9 5.3 11.7 77 109 A I - 0 0 25 18,-0.2 2,-1.7 1,-0.1 3,-0.2 -0.487 69.9-128.3 -68.0 123.6 -2.5 8.8 10.5 78 110 A P > + 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.551 35.8 173.0 -78.6 86.6 -3.9 10.8 13.5 79 111 A V H > S+ 0 0 36 -2,-1.7 4,-2.6 1,-0.2 5,-0.2 0.897 74.2 49.9 -64.1 -43.9 -7.0 12.2 11.8 80 112 A E H > S+ 0 0 163 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 111.1 49.5 -65.0 -40.7 -8.5 13.8 14.9 81 113 A E H > S+ 0 0 113 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.922 111.5 49.5 -61.8 -44.7 -5.2 15.5 15.8 82 114 A I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.5 0.945 108.1 52.6 -62.7 -47.5 -4.9 16.9 12.3 83 115 A A H >< S+ 0 0 30 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.902 106.1 55.1 -52.7 -42.7 -8.5 18.2 12.3 84 116 A A H 3< S+ 0 0 80 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.745 99.5 61.4 -65.4 -23.7 -7.8 20.0 15.6 85 117 A L T << S- 0 0 36 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.552 98.2-141.9 -79.8 -8.2 -4.8 21.8 13.9 86 118 A K < - 0 0 157 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.1 0.903 30.3-176.9 53.0 51.1 -7.2 23.4 11.4 87 119 A P - 0 0 10 0, 0.0 -64,-0.2 0, 0.0 3,-0.1 -0.280 32.1-153.3 -74.5 164.0 -4.9 23.1 8.4 88 120 A D S S+ 0 0 56 -66,-2.4 2,-0.3 1,-0.3 -65,-0.2 0.360 87.1 30.9-110.7 -2.5 -5.6 24.5 5.0 89 121 A L E -b 23 0B 0 -67,-1.4 -65,-2.8 20,-0.1 2,-0.5 -0.936 64.1-163.5-150.7 133.9 -3.3 21.9 3.3 90 122 A I E -be 24 111B 0 20,-2.5 22,-2.9 -2,-0.3 2,-0.7 -0.971 8.4-159.2-116.3 118.3 -2.5 18.3 4.4 91 123 A V E +be 25 112B 0 -67,-3.1 -65,-2.9 -2,-0.5 -64,-0.7 -0.879 25.2 155.6-100.0 116.3 0.6 16.7 2.8 92 124 A A E + e 0 113B 0 20,-2.9 22,-0.6 -2,-0.7 3,-0.4 -0.447 21.6 126.8-140.4 62.1 0.5 13.0 3.0 93 125 A T S S+ 0 0 0 20,-0.3 29,-0.3 1,-0.2 3,-0.1 0.695 86.1 33.6 -90.2 -20.4 2.6 11.5 0.2 94 126 A N S S+ 0 0 2 26,-0.1 -66,-2.6 1,-0.1 -1,-0.2 -0.433 93.6 94.5-133.3 54.5 4.7 9.3 2.5 95 127 A A S S- 0 0 5 24,-0.7 25,-0.2 -3,-0.4 -18,-0.2 0.282 97.4-103.1-133.1 3.5 2.1 8.4 5.2 96 128 A G - 0 0 27 23,-2.2 24,-0.2 1,-0.2 -19,-0.1 0.764 57.3-177.1 70.7 28.0 0.6 5.0 4.2 97 129 A L - 0 0 4 22,-0.6 2,-0.2 -5,-0.3 -1,-0.2 -0.303 9.2-170.9 -63.1 132.0 -2.5 6.8 3.0 98 130 A D > - 0 0 83 -2,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.691 40.2 -96.3-111.5 175.6 -5.4 4.7 1.7 99 131 A A H > S+ 0 0 60 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.862 122.5 50.6 -59.7 -40.0 -8.6 5.8 -0.1 100 132 A D H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.960 113.4 43.9 -62.3 -52.0 -10.7 5.8 3.1 101 133 A T H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.844 110.4 56.0 -66.5 -35.8 -8.2 7.9 5.0 102 134 A Y H X S+ 0 0 31 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.927 107.2 49.9 -56.8 -46.7 -7.7 10.2 2.1 103 135 A A H X S+ 0 0 61 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.919 111.1 49.6 -59.6 -42.8 -11.5 10.8 2.1 104 136 A K H < S+ 0 0 94 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.888 113.5 44.5 -63.0 -42.8 -11.3 11.5 5.9 105 137 A L H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.3 0.858 106.7 60.5 -70.4 -35.3 -8.5 14.0 5.5 106 138 A S H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 95.9 61.9 -65.4 -27.7 -10.1 15.7 2.5 107 139 A E T 3< S+ 0 0 176 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.779 109.5 42.7 -63.4 -27.1 -13.0 16.6 4.8 108 140 A I T <4 S- 0 0 48 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.919 132.0 -36.3 -85.0 -51.1 -10.6 18.6 6.8 109 141 A A S < S- 0 0 7 -4,-2.3 -1,-0.3 -19,-0.0 -20,-0.1 -0.979 81.5 -56.5-163.4 164.6 -8.6 20.3 4.0 110 142 A P - 0 0 42 0, 0.0 -20,-2.5 0, 0.0 2,-0.4 -0.316 60.1-154.8 -48.6 130.3 -7.2 19.8 0.5 111 143 A T E -e 90 0B 0 -22,-0.2 2,-0.6 -20,-0.1 -20,-0.2 -0.959 11.4-147.3-125.2 129.8 -5.0 16.7 0.9 112 144 A V E -e 91 0B 0 -22,-2.9 -20,-2.9 -2,-0.4 2,-0.2 -0.883 24.5-172.5-100.6 116.2 -2.0 15.8 -1.3 113 145 A A E -e 92 0B 0 -2,-0.6 -20,-0.3 1,-0.2 -99,-0.1 -0.492 36.0 -71.7 -99.9 170.0 -1.6 12.0 -1.7 114 146 A Q - 0 0 7 -22,-0.6 -104,-3.1 -2,-0.2 -103,-0.3 -0.202 43.4-128.8 -53.0 151.7 1.1 9.8 -3.2 115 147 A T S S+ 0 0 49 -106,-0.3 -1,-0.1 3,-0.1 2,-0.1 0.829 78.6 1.3 -81.9 -32.4 1.1 10.0 -7.0 116 148 A G S S- 0 0 37 2,-0.3 -106,-0.1 -107,-0.1 -2,-0.1 -0.150 107.5 -45.6-129.9-138.1 0.9 6.2 -7.8 117 149 A S S S+ 0 0 113 -2,-0.1 2,-0.6 2,-0.0 -3,-0.0 0.316 100.2 90.6 -94.8 6.4 0.7 2.8 -6.2 118 150 A E - 0 0 112 1,-0.1 -2,-0.3 5,-0.0 4,-0.3 -0.915 48.3-176.1-107.1 113.6 3.4 3.3 -3.4 119 151 A A S S+ 0 0 30 -2,-0.6 -23,-2.2 1,-0.1 -24,-0.7 0.675 75.4 38.2 -85.5 -20.9 1.8 4.6 -0.2 120 152 A F S S+ 0 0 83 -25,-0.2 -26,-0.1 -26,-0.2 -1,-0.1 -0.982 123.6 2.7-123.7 143.5 5.2 4.9 1.5 121 153 A F S S+ 0 0 64 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.837 71.9 175.0 54.8 44.8 8.6 5.9 -0.1 122 154 A E - 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0 0 15 -3,-1.7 -50,-0.2 1,-0.1 3,-0.1 -0.696 64.0-152.7-104.3 150.7 31.1 -5.8 -3.7 218 250 A D S S+ 0 0 65 -52,-2.1 2,-0.3 1,-0.3 -51,-0.2 0.693 89.4 18.9 -85.6 -26.3 34.0 -3.3 -3.7 219 251 A V E -g 167 0C 1 -53,-1.8 -51,-1.5 2,-0.0 2,-0.5 -0.989 64.9-155.6-147.4 136.5 32.5 -1.2 -1.0 220 252 A L E -gi 168 250C 0 29,-2.1 31,-2.9 -2,-0.3 2,-0.7 -0.972 7.0-159.0-112.7 128.6 29.7 -1.8 1.6 221 253 A I E -gi 169 251C 0 -53,-2.8 -51,-3.5 -2,-0.5 2,-0.6 -0.920 8.7-167.8-108.6 105.1 27.8 1.2 3.0 222 254 A W E -gi 170 252C 0 29,-3.2 31,-2.3 -2,-0.7 2,-2.1 -0.858 18.9-139.9 -95.9 124.8 26.2 0.3 6.3 223 255 A T E +g 171 0C 32 -53,-2.9 -51,-0.8 -2,-0.6 29,-0.1 -0.350 37.9 169.1 -86.5 59.9 23.7 2.9 7.4 224 256 A T - 0 0 2 -2,-2.1 34,-0.3 -53,-0.2 3,-0.1 -0.362 27.9-162.1 -65.4 150.5 24.8 2.7 11.1 225 257 A E + 0 0 77 1,-0.2 2,-0.3 -53,-0.1 30,-0.3 0.286 69.9 14.2-118.2 3.0 23.4 5.4 13.5 226 258 A S S > S- 0 0 48 27,-0.2 4,-1.8 28,-0.1 -1,-0.2 -0.984 75.1-104.9-163.7 167.8 26.0 4.9 16.3 227 259 A D H > S+ 0 0 107 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.861 121.1 61.2 -61.8 -38.7 29.3 3.4 17.3 228 260 A Q H > S+ 0 0 162 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 104.9 47.5 -52.5 -48.6 27.1 0.8 19.1 229 261 A D H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 113.0 47.2 -60.3 -45.7 25.7 -0.2 15.8 230 262 A R H X S+ 0 0 90 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.920 112.0 48.5 -65.3 -45.9 29.0 -0.4 14.0 231 263 A D H X S+ 0 0 81 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.847 107.5 56.3 -68.2 -32.1 30.7 -2.5 16.7 232 264 A A H < S+ 0 0 65 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.871 110.3 45.8 -63.9 -36.6 27.8 -4.9 16.8 233 265 A L H >< S+ 0 0 3 -4,-1.5 3,-1.2 2,-0.2 7,-0.2 0.939 113.2 47.9 -70.5 -47.4 28.3 -5.5 13.1 234 266 A L H 3< S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.769 106.6 59.7 -64.7 -25.0 32.0 -5.9 13.4 235 267 A A T 3< S+ 0 0 80 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.648 81.5 100.1 -75.2 -17.2 31.4 -8.3 16.4 236 268 A D S <> S- 0 0 19 -3,-1.2 4,-2.9 -4,-0.5 5,-0.2 -0.586 74.1-140.3 -72.0 128.3 29.4 -10.6 14.2 237 269 A P H > S+ 0 0 87 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.786 100.4 47.5 -66.9 -27.1 31.7 -13.5 13.2 238 270 A I H >4 S+ 0 0 52 2,-0.2 3,-1.1 1,-0.1 4,-0.4 0.948 113.6 46.6 -74.5 -49.3 30.5 -13.7 9.6 239 271 A V H >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 6,-0.3 0.916 106.7 61.1 -55.9 -42.0 30.7 -9.9 9.1 240 272 A A H 3< S+ 0 0 45 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 106.5 45.7 -55.6 -29.6 34.2 -10.1 10.7 241 273 A Q T << S+ 0 0 162 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.354 82.7 122.3-100.9 4.6 35.4 -12.4 7.9 242 274 A L S <> S- 0 0 1 -3,-1.7 4,-2.4 -4,-0.4 3,-0.3 -0.373 71.6-124.8 -60.6 144.3 33.9 -10.5 5.0 243 275 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 6,-0.1 0.887 114.3 58.1 -55.3 -38.9 36.5 -9.4 2.4 244 276 A A H 4>S+ 0 0 7 2,-0.2 5,-3.4 1,-0.2 6,-0.6 0.865 107.4 45.6 -60.3 -38.1 35.2 -5.9 3.0 245 277 A T H >45S+ 0 0 36 -3,-0.3 3,-0.9 -6,-0.3 -2,-0.2 0.928 114.6 47.8 -71.0 -43.5 36.1 -6.1 6.7 246 278 A R H 3<5S+ 0 0 179 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 119.1 39.1 -62.5 -40.6 39.5 -7.6 5.9 247 279 A R T 3<5S- 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.270 111.7-115.8 -98.1 9.3 40.4 -5.0 3.3 248 280 A D T < 5S+ 0 0 112 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.921 71.0 136.3 58.2 48.7 38.8 -2.1 5.2 249 281 A R < + 0 0 111 -5,-3.4 -29,-2.1 -6,-0.1 2,-0.4 0.111 33.8 110.9-113.3 16.9 36.1 -1.4 2.5 250 282 A N E -i 220 0C 15 -6,-0.6 2,-0.5 -31,-0.2 -29,-0.2 -0.780 51.5-159.0 -86.8 135.1 33.2 -1.0 5.0 251 283 A I E -i 221 0C 2 -31,-2.9 -29,-3.2 -2,-0.4 2,-0.7 -0.986 3.5-166.7-108.7 120.6 31.7 2.5 5.4 252 284 A F E -i 222 0C 43 -2,-0.5 -29,-0.2 -31,-0.2 -31,-0.1 -0.933 22.3-137.9-106.2 108.9 29.9 2.9 8.7 253 285 A T - 0 0 8 -31,-2.3 -27,-0.2 -2,-0.7 2,-0.1 -0.218 10.1-116.1 -65.9 152.4 27.8 6.1 8.3 254 286 A T > - 0 0 79 1,-0.1 4,-2.7 -29,-0.1 5,-0.2 -0.402 38.0-102.1 -68.6 162.9 27.4 8.7 11.0 255 287 A K H > S+ 0 0 77 -30,-0.3 4,-2.8 1,-0.2 5,-0.2 0.903 123.3 51.4 -54.1 -42.8 23.9 9.1 12.3 256 288 A E H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 111.2 45.9 -67.4 -39.8 23.5 12.3 10.2 257 289 A L H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 113.2 50.0 -70.0 -40.1 24.6 10.6 7.0 258 290 A A H X S+ 0 0 4 -4,-2.7 4,-2.1 -34,-0.3 -2,-0.2 0.931 114.0 46.4 -59.1 -45.9 22.4 7.6 7.7 259 291 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.912 110.1 53.0 -62.0 -43.0 19.5 10.0 8.3 260 292 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.4 0.915 110.2 47.3 -62.9 -42.3 20.3 12.0 5.2 261 293 A I H < S+ 0 0 9 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.919 112.5 50.7 -61.4 -45.6 20.3 8.8 3.0 262 294 A A H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 111.2 46.6 -60.1 -46.0 17.0 7.7 4.6 263 295 A F H < S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.825 80.1-171.0 -70.5 -33.0 15.2 11.0 4.0 264 296 A A < + 0 0 2 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.887 33.9 148.4 43.6 54.6 16.4 11.3 0.4 265 297 A S > - 0 0 3 -5,-0.4 4,-2.5 1,-0.0 -1,-0.1 -0.644 67.7 -99.0-117.4 169.3 15.1 14.8 0.2 266 298 A P T 4 S+ 0 0 3 0, 0.0 -233,-0.1 0, 0.0 -2,-0.1 0.774 127.4 36.1 -57.8 -26.5 15.9 18.2 -1.5 267 299 A L T 4 S+ 0 0 23 2,-0.1 4,-0.5 3,-0.1 -3,-0.1 0.742 118.8 47.9 -96.2 -28.3 17.7 19.2 1.7 268 300 A S T >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.851 99.1 64.5 -85.3 -34.9 19.1 15.9 2.8 269 301 A Y H 3X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.846 95.2 59.5 -61.1 -36.5 20.7 14.7 -0.5 270 302 A P H 3> S+ 0 0 32 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.865 103.5 53.7 -54.8 -35.8 23.2 17.7 -0.5 271 303 A V H <> S+ 0 0 18 -3,-0.8 4,-2.7 -4,-0.5 5,-0.3 0.889 108.3 49.1 -64.7 -39.1 24.5 16.3 2.9 272 304 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.922 109.6 51.2 -64.3 -44.3 25.0 12.9 1.2 273 305 A A H < S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 115.5 44.0 -65.5 -28.3 26.9 14.6 -1.6 274 306 A D H < S+ 0 0 95 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.943 124.5 28.0 -75.6 -51.4 29.1 16.3 0.9 275 307 A Q H X S+ 0 0 65 -4,-2.7 4,-0.8 1,-0.1 -3,-0.2 0.753 112.8 56.6 -94.1 -28.9 29.8 13.5 3.4 276 308 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 3,-0.5 0.900 96.7 60.4 -75.2 -42.1 29.7 10.2 1.4 277 309 A P H > S+ 0 0 4 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.898 101.9 52.6 -59.4 -40.3 32.2 10.8 -1.3 278 310 A P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.873 111.6 48.1 -57.2 -35.9 35.2 11.4 1.1 279 311 A E H X S+ 0 0 52 -4,-0.8 4,-1.2 -3,-0.5 5,-0.2 0.912 113.2 47.1 -70.0 -42.9 34.3 8.0 2.8 280 312 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.901 111.8 51.0 -61.1 -41.5 34.1 6.3 -0.7 281 313 A A H X S+ 0 0 26 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.857 104.6 58.4 -67.0 -35.8 37.4 7.9 -1.7 282 314 A R H < S+ 0 0 172 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.840 118.7 28.8 -59.2 -38.1 39.0 6.6 1.5 283 315 A V H < S+ 0 0 11 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.751 129.5 37.4 -98.8 -27.9 38.2 3.0 0.7 284 316 A L H < 0 0 29 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.725 360.0 360.0 -95.6 -26.1 38.2 3.1 -3.1 285 317 A G < 0 0 59 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.707 360.0 360.0 103.0 360.0 41.1 5.5 -3.7